data_18167 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18167 _Entry.PDB_ID 2LNJ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18167 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.624 -0.152 18167 2 1 1 . 1 1 2 2 PRO C C 20 177.006 177.006 176.631 0.375 18167 3 1 1 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.689 0.351 18167 4 1 1 . 1 1 2 2 PRO CB C 20 32.064 32.064 30.892 1.172 18167 5 1 1 . 1 1 3 3 LEU N N 21 122.423 122.423 120.067 2.356 18167 6 1 1 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.041 0.300 18167 7 1 1 . 1 1 3 3 LEU C C 21 177.928 177.928 178.068 -0.140 18167 8 1 1 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.590 -0.272 18167 9 1 1 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.491 0.775 18167 10 1 1 . 1 1 3 3 LEU H H 21 8.551 8.551 7.808 0.743 18167 11 1 1 . 1 1 4 4 GLY N N 22 109.759 109.759 107.754 2.005 18167 12 1 1 . 1 1 4 4 GLY C C 22 174.309 174.309 173.524 0.785 18167 13 1 1 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.645 0.585 18167 14 1 1 . 1 1 4 4 GLY H H 22 8.423 8.423 8.037 0.386 18167 15 1 1 . 1 1 5 5 SER N N 23 115.538 115.538 115.233 0.305 18167 16 1 1 . 1 1 5 5 SER HA H 23 4.488 4.488 4.657 -0.169 18167 17 1 1 . 1 1 5 5 SER C C 23 174.841 174.841 173.854 0.987 18167 18 1 1 . 1 1 5 5 SER CA C 23 58.329 58.329 57.894 0.435 18167 19 1 1 . 1 1 5 5 SER CB C 23 63.957 63.957 64.657 -0.700 18167 20 1 1 . 1 1 5 5 SER H H 23 8.233 8.233 8.261 -0.028 18167 21 1 1 . 1 1 6 6 CYS N N 24 120.699 120.699 123.648 -2.949 18167 22 1 1 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.781 -0.239 18167 23 1 1 . 1 1 6 6 CYS C C 24 175.079 175.079 174.654 0.425 18167 24 1 1 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.675 0.042 18167 25 1 1 . 1 1 6 6 CYS CB C 24 27.969 27.969 26.529 1.440 18167 26 1 1 . 1 1 6 6 CYS H H 24 8.493 8.493 8.530 -0.037 18167 27 1 1 . 1 1 7 7 GLY N N 25 110.895 110.895 112.816 -1.921 18167 28 1 1 . 1 1 7 7 GLY C C 25 174.402 174.402 174.151 0.251 18167 29 1 1 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.448 0.030 18167 30 1 1 . 1 1 7 7 GLY H H 25 8.449 8.449 8.266 0.183 18167 31 1 1 . 1 1 8 8 GLY N N 26 108.733 108.733 108.701 0.032 18167 32 1 1 . 1 1 8 8 GLY C C 26 174.113 174.113 174.648 -0.535 18167 33 1 1 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.955 0.225 18167 34 1 1 . 1 1 8 8 GLY H H 26 8.236 8.236 8.460 -0.224 18167 35 1 1 . 1 1 9 9 VAL N N 27 118.903 118.903 119.650 -0.747 18167 36 1 1 . 1 1 9 9 VAL HA H 27 4.124 4.124 3.870 0.254 18167 37 1 1 . 1 1 9 9 VAL C C 27 176.630 176.630 176.578 0.052 18167 38 1 1 . 1 1 9 9 VAL CA C 27 62.385 62.385 63.156 -0.771 18167 39 1 1 . 1 1 9 9 VAL CB C 27 32.521 32.521 32.223 0.298 18167 40 1 1 . 1 1 9 9 VAL H H 27 8.019 8.019 7.754 0.265 18167 41 1 1 . 1 1 10 10 GLY N N 28 112.317 112.317 108.150 4.167 18167 42 1 1 . 1 1 10 10 GLY C C 28 174.378 174.378 173.704 0.674 18167 43 1 1 . 1 1 10 10 GLY CA C 28 45.346 45.346 45.033 0.313 18167 44 1 1 . 1 1 10 10 GLY H H 28 8.483 8.483 7.989 0.494 18167 45 1 1 . 1 1 11 11 ILE N N 29 119.788 119.788 117.499 2.289 18167 46 1 1 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.506 -0.425 18167 47 1 1 . 1 1 11 11 ILE C C 29 176.168 176.168 175.312 0.856 18167 48 1 1 . 1 1 11 11 ILE CA C 29 61.412 61.412 58.608 2.804 18167 49 1 1 . 1 1 11 11 ILE CB C 29 38.557 38.557 41.523 -2.966 18167 50 1 1 . 1 1 11 11 ILE H H 29 7.948 7.948 7.722 0.226 18167 51 1 1 . 1 1 12 12 ALA N N 30 126.009 126.009 125.669 0.340 18167 52 1 1 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.374 -0.086 18167 53 1 1 . 1 1 12 12 ALA C C 30 177.504 177.504 176.172 1.332 18167 54 1 1 . 1 1 12 12 ALA CA C 30 52.865 52.865 53.132 -0.267 18167 55 1 1 . 1 1 12 12 ALA CB C 30 18.966 18.966 17.569 1.397 18167 56 1 1 . 1 1 12 12 ALA H H 30 8.247 8.247 8.541 -0.294 18167 57 1 1 . 1 1 13 13 SER N N 31 113.949 113.949 116.499 -2.550 18167 58 1 1 . 1 1 13 13 SER HA H 31 4.392 4.392 4.516 -0.124 18167 59 1 1 . 1 1 13 13 SER C C 31 173.644 173.644 172.454 1.190 18167 60 1 1 . 1 1 13 13 SER CA C 31 58.329 58.329 57.568 0.761 18167 61 1 1 . 1 1 13 13 SER CB C 31 63.609 63.609 63.974 -0.364 18167 62 1 1 . 1 1 13 13 SER H H 31 8.045 8.045 8.565 -0.520 18167 63 1 1 . 1 1 14 14 LEU N N 32 122.240 122.240 121.302 0.938 18167 64 1 1 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.200 0.345 18167 65 1 1 . 1 1 14 14 LEU C C 32 176.001 176.001 176.560 -0.559 18167 66 1 1 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.854 -0.977 18167 67 1 1 . 1 1 14 14 LEU CB C 32 44.245 44.245 42.444 1.802 18167 68 1 1 . 1 1 14 14 LEU H H 32 7.749 7.749 8.033 -0.284 18167 69 1 1 . 1 1 15 15 GLN N N 33 120.685 120.685 120.828 -0.143 18167 70 1 1 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.516 -0.134 18167 71 1 1 . 1 1 15 15 GLN C C 33 172.944 172.944 174.022 -1.078 18167 72 1 1 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.820 -0.359 18167 73 1 1 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.757 -1.014 18167 74 1 1 . 1 1 15 15 GLN H H 33 8.780 8.780 8.351 0.429 18167 75 1 1 . 1 1 16 16 ARG N N 34 120.341 120.341 122.452 -2.111 18167 76 1 1 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.544 0.360 18167 77 1 1 . 1 1 16 16 ARG C C 34 175.846 175.846 175.000 0.846 18167 78 1 1 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.453 0.248 18167 79 1 1 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.290 0.452 18167 80 1 1 . 1 1 16 16 ARG H H 34 8.274 8.274 8.518 -0.244 18167 81 1 1 . 1 1 17 17 TYR N N 35 128.733 128.733 127.922 0.811 18167 82 1 1 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.697 -0.139 18167 83 1 1 . 1 1 17 17 TYR C C 35 173.307 173.307 172.974 0.333 18167 84 1 1 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.692 0.041 18167 85 1 1 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.626 -0.043 18167 86 1 1 . 1 1 17 17 TYR H H 35 9.104 9.104 8.441 0.663 18167 87 1 1 . 1 1 18 18 SER N N 36 119.150 119.150 121.305 -2.155 18167 88 1 1 . 1 1 18 18 SER HA H 36 4.786 4.786 4.937 -0.151 18167 89 1 1 . 1 1 18 18 SER C C 36 172.002 172.002 172.337 -0.335 18167 90 1 1 . 1 1 18 18 SER CA C 36 56.341 56.341 56.679 -0.339 18167 91 1 1 . 1 1 18 18 SER CB C 36 65.327 65.327 66.472 -1.145 18167 92 1 1 . 1 1 18 18 SER H H 36 7.398 7.398 7.913 -0.515 18167 93 1 1 . 1 1 19 19 ASP N N 37 124.935 124.935 122.580 2.355 18167 94 1 1 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.962 -0.291 18167 95 1 1 . 1 1 19 19 ASP C C 37 176.089 176.089 176.426 -0.337 18167 96 1 1 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.473 -0.664 18167 97 1 1 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.224 -0.759 18167 98 1 1 . 1 1 19 19 ASP H H 37 8.607 8.607 8.472 0.135 18167 99 1 1 . 1 1 20 20 THR N N 38 117.032 117.032 120.679 -3.647 18167 100 1 1 . 1 1 20 20 THR HA H 38 4.316 4.316 3.877 0.439 18167 101 1 1 . 1 1 20 20 THR C C 38 175.794 175.794 175.509 0.285 18167 102 1 1 . 1 1 20 20 THR CA C 38 63.123 63.123 65.468 -2.345 18167 103 1 1 . 1 1 20 20 THR CB C 38 68.905 68.905 69.123 -0.218 18167 104 1 1 . 1 1 20 20 THR H H 38 8.470 8.470 8.542 -0.072 18167 105 1 1 . 1 1 21 21 LYS N N 39 124.893 124.893 120.350 4.543 18167 106 1 1 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.038 0.151 18167 107 1 1 . 1 1 21 21 LYS C C 39 177.678 177.678 177.510 0.168 18167 108 1 1 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.064 -0.269 18167 109 1 1 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.418 -0.750 18167 110 1 1 . 1 1 21 21 LYS H H 39 8.201 8.201 7.757 0.444 18167 111 1 1 . 1 1 22 22 ASP N N 40 118.183 118.183 116.521 1.662 18167 112 1 1 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.509 0.312 18167 113 1 1 . 1 1 22 22 ASP C C 40 176.752 176.752 177.044 -0.292 18167 114 1 1 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.102 0.777 18167 115 1 1 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.859 1.010 18167 116 1 1 . 1 1 22 22 ASP H H 40 8.480 8.480 8.139 0.341 18167 117 1 1 . 1 1 23 23 GLY N N 41 108.978 108.978 108.277 0.701 18167 118 1 1 . 1 1 23 23 GLY C C 41 172.396 172.396 173.177 -0.781 18167 119 1 1 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.372 1.744 18167 120 1 1 . 1 1 23 23 GLY H H 41 7.421 7.421 8.371 -0.950 18167 121 1 1 . 1 1 24 24 TYR N N 42 112.046 112.046 116.118 -4.072 18167 122 1 1 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.855 -0.461 18167 123 1 1 . 1 1 24 24 TYR C C 42 173.028 173.028 172.983 0.045 18167 124 1 1 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.387 1.445 18167 125 1 1 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.489 0.365 18167 126 1 1 . 1 1 24 24 TYR H H 42 7.506 7.506 7.798 -0.292 18167 127 1 1 . 1 1 25 25 GLU N N 43 117.470 117.470 120.348 -2.878 18167 128 1 1 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.169 0.299 18167 129 1 1 . 1 1 25 25 GLU C C 43 173.311 173.311 174.464 -1.153 18167 130 1 1 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.022 -0.791 18167 131 1 1 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.970 -0.345 18167 132 1 1 . 1 1 25 25 GLU H H 43 8.934 8.934 8.880 0.054 18167 133 1 1 . 1 1 26 26 PHE N N 44 112.795 112.795 117.664 -4.869 18167 134 1 1 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.248 -0.406 18167 135 1 1 . 1 1 26 26 PHE C C 44 172.776 172.776 173.271 -0.495 18167 136 1 1 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.891 -0.275 18167 137 1 1 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.508 -1.059 18167 138 1 1 . 1 1 26 26 PHE H H 44 8.532 8.532 8.394 0.138 18167 139 1 1 . 1 1 27 27 LEU N N 45 119.784 119.784 121.504 -1.720 18167 140 1 1 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.367 0.153 18167 141 1 1 . 1 1 27 27 LEU C C 45 174.965 174.965 176.526 -1.561 18167 142 1 1 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.967 -1.193 18167 143 1 1 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.596 1.054 18167 144 1 1 . 1 1 27 27 LEU H H 45 9.241 9.241 8.699 0.542 18167 145 1 1 . 1 1 28 28 TYR N N 46 113.008 113.008 118.099 -5.091 18167 146 1 1 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.849 0.064 18167 147 1 1 . 1 1 28 28 TYR C C 46 171.354 171.354 172.090 -0.736 18167 148 1 1 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.646 0.111 18167 149 1 1 . 1 1 28 28 TYR CB C 46 38.147 38.147 39.107 -0.960 18167 150 1 1 . 1 1 28 28 TYR H H 46 8.951 8.951 8.540 0.411 18167 151 1 1 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.060 -0.053 18167 152 1 1 . 1 1 29 29 PRO C C 47 176.165 176.165 176.027 0.138 18167 153 1 1 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.350 0.968 18167 154 1 1 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.586 -1.246 18167 155 1 1 . 1 1 30 30 ASN N N 48 119.923 119.923 119.681 0.242 18167 156 1 1 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.290 -0.027 18167 157 1 1 . 1 1 30 30 ASN C C 48 176.347 176.347 176.403 -0.056 18167 158 1 1 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.289 1.911 18167 159 1 1 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.862 0.726 18167 160 1 1 . 1 1 30 30 ASN H H 48 8.163 8.163 7.840 0.323 18167 161 1 1 . 1 1 31 31 GLY N N 49 111.442 111.442 106.361 5.081 18167 162 1 1 . 1 1 31 31 GLY C C 49 174.985 174.985 174.392 0.593 18167 163 1 1 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.274 0.118 18167 164 1 1 . 1 1 31 31 GLY H H 49 8.702 8.702 8.663 0.039 18167 165 1 1 . 1 1 32 32 TRP N N 50 122.100 122.100 120.853 1.247 18167 166 1 1 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.264 0.078 18167 167 1 1 . 1 1 32 32 TRP C C 50 176.370 176.370 177.421 -1.051 18167 168 1 1 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.502 0.791 18167 169 1 1 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.211 -0.107 18167 170 1 1 . 1 1 32 32 TRP H H 50 8.008 8.008 7.661 0.347 18167 171 1 1 . 1 1 33 33 ILE N N 51 117.163 117.163 119.448 -2.285 18167 172 1 1 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.858 0.097 18167 173 1 1 . 1 1 33 33 ILE C C 51 175.549 175.549 174.878 0.671 18167 174 1 1 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.809 -0.581 18167 175 1 1 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.230 0.859 18167 176 1 1 . 1 1 33 33 ILE H H 51 9.249 9.249 8.911 0.338 18167 177 1 1 . 1 1 34 34 GLY N N 52 111.812 111.812 111.286 0.526 18167 178 1 1 . 1 1 34 34 GLY C C 52 173.956 173.956 174.041 -0.085 18167 179 1 1 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.962 1.442 18167 180 1 1 . 1 1 34 34 GLY H H 52 8.787 8.787 8.397 0.390 18167 181 1 1 . 1 1 35 35 VAL N N 53 122.174 122.174 124.979 -2.805 18167 182 1 1 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.183 -0.039 18167 183 1 1 . 1 1 35 35 VAL C C 53 174.921 174.921 175.326 -0.405 18167 184 1 1 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.483 0.174 18167 185 1 1 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.724 0.316 18167 186 1 1 . 1 1 35 35 VAL H H 53 7.763 7.763 8.089 -0.326 18167 187 1 1 . 1 1 36 36 ASP N N 54 125.424 125.424 126.145 -0.721 18167 188 1 1 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.615 -0.026 18167 189 1 1 . 1 1 36 36 ASP C C 54 176.890 176.890 176.002 0.888 18167 190 1 1 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.776 -0.326 18167 191 1 1 . 1 1 36 36 ASP CB C 54 41.173 41.173 40.952 0.222 18167 192 1 1 . 1 1 36 36 ASP H H 54 8.425 8.425 8.551 -0.126 18167 193 1 1 . 1 1 37 37 VAL N N 55 120.335 120.335 118.751 1.584 18167 194 1 1 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.441 -0.273 18167 195 1 1 . 1 1 37 37 VAL C C 55 176.785 176.785 175.193 1.592 18167 196 1 1 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.280 0.639 18167 197 1 1 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.205 -0.415 18167 198 1 1 . 1 1 37 37 VAL H H 55 8.215 8.215 8.346 -0.131 18167 199 1 1 . 1 1 38 38 LYS N N 56 124.881 124.881 121.138 3.743 18167 200 1 1 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.171 0.031 18167 201 1 1 . 1 1 38 38 LYS C C 56 177.828 177.828 177.705 0.123 18167 202 1 1 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.748 0.255 18167 203 1 1 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.048 -0.411 18167 204 1 1 . 1 1 38 38 LYS H H 56 8.331 8.331 7.808 0.523 18167 205 1 1 . 1 1 39 39 GLY N N 57 111.152 111.152 111.973 -0.821 18167 206 1 1 . 1 1 39 39 GLY C C 57 174.253 174.253 174.055 0.198 18167 207 1 1 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.781 0.579 18167 208 1 1 . 1 1 39 39 GLY H H 57 8.651 8.651 8.978 -0.327 18167 209 1 1 . 1 1 40 40 ALA N N 58 123.085 123.085 122.431 0.654 18167 210 1 1 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.399 -0.016 18167 211 1 1 . 1 1 40 40 ALA C C 58 177.125 177.125 176.867 0.258 18167 212 1 1 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.341 1.013 18167 213 1 1 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.763 -0.146 18167 214 1 1 . 1 1 40 40 ALA H H 58 7.839 7.839 7.602 0.237 18167 215 1 1 . 1 1 41 41 SER N N 59 115.088 115.088 115.765 -0.677 18167 216 1 1 . 1 1 41 41 SER HA H 59 4.688 4.688 4.380 0.308 18167 217 1 1 . 1 1 41 41 SER C C 59 171.885 171.885 173.045 -1.160 18167 218 1 1 . 1 1 41 41 SER CA C 59 56.951 56.951 58.097 -1.146 18167 219 1 1 . 1 1 41 41 SER CB C 59 63.123 63.123 63.103 0.020 18167 220 1 1 . 1 1 41 41 SER H H 59 8.186 8.186 8.287 -0.101 18167 221 1 1 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.208 0.141 18167 222 1 1 . 1 1 42 42 PRO C C 60 177.660 177.660 177.666 -0.006 18167 223 1 1 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.368 -0.143 18167 224 1 1 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.729 -0.188 18167 225 1 1 . 1 1 43 43 GLY N N 61 111.997 111.997 110.598 1.399 18167 226 1 1 . 1 1 43 43 GLY C C 61 174.070 174.070 174.204 -0.134 18167 227 1 1 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.970 0.644 18167 228 1 1 . 1 1 43 43 GLY H H 61 8.730 8.730 8.514 0.216 18167 229 1 1 . 1 1 44 44 VAL N N 62 120.539 120.539 122.292 -1.753 18167 230 1 1 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.775 0.502 18167 231 1 1 . 1 1 44 44 VAL C C 62 175.277 175.277 174.959 0.318 18167 232 1 1 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.448 -1.521 18167 233 1 1 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.903 0.652 18167 234 1 1 . 1 1 44 44 VAL H H 62 7.573 7.573 7.851 -0.278 18167 235 1 1 . 1 1 45 45 ASP N N 63 128.619 128.619 127.886 0.733 18167 236 1 1 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.894 0.013 18167 237 1 1 . 1 1 45 45 ASP C C 63 176.177 176.177 175.443 0.734 18167 238 1 1 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.170 0.685 18167 239 1 1 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.596 0.679 18167 240 1 1 . 1 1 45 45 ASP H H 63 9.084 9.084 8.220 0.864 18167 241 1 1 . 1 1 46 46 VAL N N 64 115.687 115.687 117.329 -1.642 18167 242 1 1 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.315 -0.005 18167 243 1 1 . 1 1 46 46 VAL C C 64 172.853 172.853 173.554 -0.701 18167 244 1 1 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.287 0.884 18167 245 1 1 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.581 0.327 18167 246 1 1 . 1 1 46 46 VAL H H 64 7.314 7.314 7.472 -0.158 18167 247 1 1 . 1 1 47 47 VAL N N 65 124.933 124.933 122.793 2.140 18167 248 1 1 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.454 0.602 18167 249 1 1 . 1 1 47 47 VAL C C 65 175.266 175.266 173.235 2.031 18167 250 1 1 . 1 1 47 47 VAL CA C 65 61.082 61.082 60.368 0.714 18167 251 1 1 . 1 1 47 47 VAL CB C 65 36.667 36.667 35.678 0.989 18167 252 1 1 . 1 1 47 47 VAL H H 65 8.146 8.146 7.813 0.333 18167 253 1 1 . 1 1 48 48 PHE N N 66 122.916 122.916 127.588 -4.672 18167 254 1 1 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.203 0.288 18167 255 1 1 . 1 1 48 48 PHE C C 66 174.371 174.371 174.201 0.170 18167 256 1 1 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.509 0.020 18167 257 1 1 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.410 1.749 18167 258 1 1 . 1 1 48 48 PHE H H 66 8.469 8.469 8.993 -0.524 18167 259 1 1 . 1 1 49 49 ARG N N 67 116.381 116.381 122.345 -5.964 18167 260 1 1 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.542 -0.037 18167 261 1 1 . 1 1 49 49 ARG C C 67 173.455 173.455 173.689 -0.234 18167 262 1 1 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.575 -0.741 18167 263 1 1 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.550 0.348 18167 264 1 1 . 1 1 49 49 ARG H H 67 9.271 9.271 8.784 0.487 18167 265 1 1 . 1 1 50 50 ASP N N 68 121.066 121.066 125.732 -4.666 18167 266 1 1 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.305 -0.254 18167 267 1 1 . 1 1 50 50 ASP C C 68 176.670 176.670 175.585 1.085 18167 268 1 1 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.926 1.690 18167 269 1 1 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.840 1.062 18167 270 1 1 . 1 1 50 50 ASP H H 68 7.165 7.165 8.115 -0.950 18167 271 1 1 . 1 1 51 51 LEU N N 69 124.078 124.078 126.830 -2.752 18167 272 1 1 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.134 -0.109 18167 273 1 1 . 1 1 51 51 LEU C C 69 177.463 177.463 178.019 -0.556 18167 274 1 1 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.141 0.268 18167 275 1 1 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.516 0.633 18167 276 1 1 . 1 1 51 51 LEU H H 69 8.314 8.314 7.883 0.431 18167 277 1 1 . 1 1 52 52 ILE N N 70 118.341 118.341 117.123 1.218 18167 278 1 1 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.900 0.173 18167 279 1 1 . 1 1 52 52 ILE C C 70 177.093 177.093 176.375 0.718 18167 280 1 1 . 1 1 52 52 ILE CA C 70 61.858 61.858 64.139 -2.281 18167 281 1 1 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.232 0.388 18167 282 1 1 . 1 1 52 52 ILE H H 70 8.178 8.178 7.696 0.482 18167 283 1 1 . 1 1 53 53 GLU N N 71 122.254 122.254 116.930 5.324 18167 284 1 1 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.508 -0.124 18167 285 1 1 . 1 1 53 53 GLU C C 71 176.084 176.084 176.112 -0.028 18167 286 1 1 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.184 -0.376 18167 287 1 1 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.932 -1.174 18167 288 1 1 . 1 1 53 53 GLU H H 71 8.974 8.974 8.425 0.549 18167 289 1 1 . 1 1 54 54 ARG N N 72 121.414 121.414 122.743 -1.329 18167 290 1 1 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.065 -0.083 18167 291 1 1 . 1 1 54 54 ARG C C 72 176.478 176.478 176.699 -0.221 18167 292 1 1 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.855 -0.615 18167 293 1 1 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.384 -0.420 18167 294 1 1 . 1 1 54 54 ARG H H 72 8.052 8.052 8.536 -0.484 18167 295 1 1 . 1 1 55 55 ASP N N 73 117.425 117.425 117.115 0.310 18167 296 1 1 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.555 -0.104 18167 297 1 1 . 1 1 55 55 ASP C C 73 173.783 173.783 176.064 -2.281 18167 298 1 1 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.667 -0.593 18167 299 1 1 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.732 0.010 18167 300 1 1 . 1 1 55 55 ASP H H 73 8.455 8.455 8.418 0.037 18167 301 1 1 . 1 1 56 56 GLU N N 74 124.050 124.050 120.358 3.692 18167 302 1 1 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.379 1.120 18167 303 1 1 . 1 1 56 56 GLU C C 74 174.110 174.110 175.013 -0.903 18167 304 1 1 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.518 -0.040 18167 305 1 1 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.457 1.988 18167 306 1 1 . 1 1 56 56 GLU H H 74 7.773 7.773 7.561 0.212 18167 307 1 1 . 1 1 57 57 ASN N N 75 119.794 119.794 123.915 -4.121 18167 308 1 1 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.908 -0.145 18167 309 1 1 . 1 1 57 57 ASN C C 75 171.893 171.893 173.063 -1.170 18167 310 1 1 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.608 0.355 18167 311 1 1 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.489 -0.120 18167 312 1 1 . 1 1 57 57 ASN H H 75 8.891 8.891 8.263 0.628 18167 313 1 1 . 1 1 58 58 LEU N N 76 116.438 116.438 123.438 -7.000 18167 314 1 1 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.122 0.219 18167 315 1 1 . 1 1 58 58 LEU C C 76 174.630 174.630 174.360 0.270 18167 316 1 1 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.772 -0.944 18167 317 1 1 . 1 1 58 58 LEU CB C 76 45.879 45.879 46.280 -0.401 18167 318 1 1 . 1 1 58 58 LEU H H 76 9.166 9.166 8.595 0.571 18167 319 1 1 . 1 1 59 59 SER N N 77 114.543 114.543 118.988 -4.445 18167 320 1 1 . 1 1 59 59 SER HA H 77 5.432 5.432 4.900 0.532 18167 321 1 1 . 1 1 59 59 SER C C 77 172.602 172.602 172.526 0.076 18167 322 1 1 . 1 1 59 59 SER CA C 77 56.593 56.593 56.976 -0.383 18167 323 1 1 . 1 1 59 59 SER CB C 77 66.720 66.720 65.437 1.283 18167 324 1 1 . 1 1 59 59 SER H H 77 8.352 8.352 9.184 -0.832 18167 325 1 1 . 1 1 60 60 VAL N N 78 122.017 122.017 125.463 -3.446 18167 326 1 1 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.359 0.610 18167 327 1 1 . 1 1 60 60 VAL C C 78 174.861 174.861 174.418 0.443 18167 328 1 1 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.733 0.451 18167 329 1 1 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.374 -0.062 18167 330 1 1 . 1 1 60 60 VAL H H 78 8.306 8.306 8.401 -0.095 18167 331 1 1 . 1 1 61 61 ILE N N 79 128.458 128.458 128.101 0.357 18167 332 1 1 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.569 0.152 18167 333 1 1 . 1 1 61 61 ILE C C 79 175.639 175.639 174.363 1.276 18167 334 1 1 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.625 -0.381 18167 335 1 1 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.009 1.277 18167 336 1 1 . 1 1 61 61 ILE H H 79 9.193 9.193 7.752 1.441 18167 337 1 1 . 1 1 62 62 ILE N N 80 129.957 129.957 127.028 2.929 18167 338 1 1 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.981 0.061 18167 339 1 1 . 1 1 62 62 ILE C C 80 175.727 175.727 174.835 0.892 18167 340 1 1 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.625 0.533 18167 341 1 1 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.822 -1.045 18167 342 1 1 . 1 1 62 62 ILE H H 80 9.140 9.140 8.818 0.322 18167 343 1 1 . 1 1 63 63 SER N N 81 122.084 122.084 119.579 2.505 18167 344 1 1 . 1 1 63 63 SER HA H 81 4.878 4.878 4.666 0.212 18167 345 1 1 . 1 1 63 63 SER C C 81 172.933 172.933 172.073 0.860 18167 346 1 1 . 1 1 63 63 SER CA C 81 56.689 56.689 56.696 -0.007 18167 347 1 1 . 1 1 63 63 SER CB C 81 65.862 65.862 66.001 -0.140 18167 348 1 1 . 1 1 63 63 SER H H 81 9.079 9.079 8.780 0.299 18167 349 1 1 . 1 1 64 64 GLU N N 82 121.983 121.983 122.772 -0.789 18167 350 1 1 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.881 -0.289 18167 351 1 1 . 1 1 64 64 GLU C C 82 176.501 176.501 176.314 0.187 18167 352 1 1 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.311 2.530 18167 353 1 1 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.604 -0.094 18167 354 1 1 . 1 1 64 64 GLU H H 82 8.664 8.664 8.401 0.263 18167 355 1 1 . 1 1 65 65 ILE N N 83 121.194 121.194 121.529 -0.335 18167 356 1 1 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.562 0.015 18167 357 1 1 . 1 1 65 65 ILE C C 83 173.233 173.233 174.090 -0.857 18167 358 1 1 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.331 0.467 18167 359 1 1 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.674 1.814 18167 360 1 1 . 1 1 65 65 ILE H H 83 8.271 8.271 7.840 0.431 18167 361 1 1 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.483 -0.032 18167 362 1 1 . 1 1 66 66 PRO C C 84 177.697 177.697 176.934 0.763 18167 363 1 1 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.529 0.668 18167 364 1 1 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.540 -0.475 18167 365 1 1 . 1 1 67 67 SER N N 85 116.018 116.018 117.418 -1.400 18167 366 1 1 . 1 1 67 67 SER HA H 85 4.149 4.149 4.177 -0.028 18167 367 1 1 . 1 1 67 67 SER C C 85 174.387 174.387 175.014 -0.627 18167 368 1 1 . 1 1 67 67 SER CA C 85 60.348 60.348 60.308 0.040 18167 369 1 1 . 1 1 67 67 SER CB C 85 63.402 63.402 63.276 0.126 18167 370 1 1 . 1 1 67 67 SER H H 85 8.465 8.465 8.631 -0.166 18167 371 1 1 . 1 1 68 68 ASP N N 86 118.568 118.568 118.818 -0.250 18167 372 1 1 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.582 -0.024 18167 373 1 1 . 1 1 68 68 ASP C C 86 175.732 175.732 175.971 -0.239 18167 374 1 1 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.290 -1.480 18167 375 1 1 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.910 -0.692 18167 376 1 1 . 1 1 68 68 ASP H H 86 8.531 8.531 8.432 0.099 18167 377 1 1 . 1 1 69 69 LYS N N 87 119.225 119.225 117.483 1.742 18167 378 1 1 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.736 -0.054 18167 379 1 1 . 1 1 69 69 LYS C C 87 175.814 175.814 175.302 0.512 18167 380 1 1 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.258 -0.397 18167 381 1 1 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.673 -1.967 18167 382 1 1 . 1 1 69 69 LYS H H 87 7.653 7.653 7.448 0.205 18167 383 1 1 . 1 1 70 70 THR N N 88 113.175 113.175 114.833 -1.658 18167 384 1 1 . 1 1 70 70 THR HA H 88 4.529 4.529 4.537 -0.008 18167 385 1 1 . 1 1 70 70 THR C C 88 175.278 175.278 175.640 -0.362 18167 386 1 1 . 1 1 70 70 THR CA C 88 60.699 60.699 59.551 1.148 18167 387 1 1 . 1 1 70 70 THR CB C 88 70.710 70.710 71.585 -0.875 18167 388 1 1 . 1 1 70 70 THR H H 88 8.608 8.608 7.932 0.676 18167 389 1 1 . 1 1 71 71 LEU N N 89 121.978 121.978 122.003 -0.025 18167 390 1 1 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.991 -0.054 18167 391 1 1 . 1 1 71 71 LEU C C 89 177.698 177.698 177.821 -0.123 18167 392 1 1 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.206 -0.442 18167 393 1 1 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.934 0.561 18167 394 1 1 . 1 1 71 71 LEU H H 89 7.998 7.998 8.943 -0.945 18167 395 1 1 . 1 1 72 72 THR N N 90 106.680 106.680 109.780 -3.100 18167 396 1 1 . 1 1 72 72 THR HA H 90 4.221 4.221 4.121 0.100 18167 397 1 1 . 1 1 72 72 THR C C 90 176.248 176.248 175.495 0.753 18167 398 1 1 . 1 1 72 72 THR CA C 90 63.648 63.648 64.751 -1.103 18167 399 1 1 . 1 1 72 72 THR CB C 90 68.620 68.620 68.433 0.187 18167 400 1 1 . 1 1 72 72 THR H H 90 7.798 7.798 7.551 0.247 18167 401 1 1 . 1 1 73 73 ASP N N 91 120.626 120.626 120.826 -0.200 18167 402 1 1 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.560 0.050 18167 403 1 1 . 1 1 73 73 ASP C C 91 177.133 177.133 177.704 -0.571 18167 404 1 1 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.678 -0.077 18167 405 1 1 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.632 1.041 18167 406 1 1 . 1 1 73 73 ASP H H 91 7.805 7.805 8.274 -0.469 18167 407 1 1 . 1 1 74 74 LEU N N 92 120.238 120.238 119.604 0.634 18167 408 1 1 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.017 0.204 18167 409 1 1 . 1 1 74 74 LEU C C 92 176.907 176.907 177.085 -0.178 18167 410 1 1 . 1 1 74 74 LEU CA C 92 55.643 55.643 57.060 -1.417 18167 411 1 1 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.680 -1.356 18167 412 1 1 . 1 1 74 74 LEU H H 92 8.182 8.182 8.188 -0.006 18167 413 1 1 . 1 1 75 75 GLY N N 93 105.772 105.772 102.876 2.896 18167 414 1 1 . 1 1 75 75 GLY C C 93 173.853 173.853 171.919 1.934 18167 415 1 1 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.548 -0.520 18167 416 1 1 . 1 1 75 75 GLY H H 93 7.713 7.713 7.412 0.301 18167 417 1 1 . 1 1 76 76 THR N N 94 111.354 111.354 109.775 1.579 18167 418 1 1 . 1 1 76 76 THR HA H 94 4.426 4.426 4.811 -0.385 18167 419 1 1 . 1 1 76 76 THR C C 94 174.396 174.396 175.976 -1.580 18167 420 1 1 . 1 1 76 76 THR CA C 94 61.220 61.220 59.666 1.554 18167 421 1 1 . 1 1 76 76 THR CB C 94 71.400 71.400 72.011 -0.611 18167 422 1 1 . 1 1 76 76 THR H H 94 8.842 8.842 8.277 0.565 18167 423 1 1 . 1 1 77 77 ALA N N 95 122.586 122.586 123.968 -1.382 18167 424 1 1 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.970 -0.644 18167 425 1 1 . 1 1 77 77 ALA C C 95 179.120 179.120 179.644 -0.524 18167 426 1 1 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.594 0.030 18167 427 1 1 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.697 -0.718 18167 428 1 1 . 1 1 77 77 ALA H H 95 8.861 8.861 8.991 -0.130 18167 429 1 1 . 1 1 78 78 THR N N 96 110.298 110.298 114.405 -4.107 18167 430 1 1 . 1 1 78 78 THR HA H 96 3.479 3.479 3.989 -0.510 18167 431 1 1 . 1 1 78 78 THR C C 96 175.297 175.297 176.653 -1.356 18167 432 1 1 . 1 1 78 78 THR CA C 96 66.314 66.314 66.803 -0.489 18167 433 1 1 . 1 1 78 78 THR CB C 96 68.335 68.335 68.460 -0.125 18167 434 1 1 . 1 1 78 78 THR H H 96 7.757 7.757 7.689 0.068 18167 435 1 1 . 1 1 79 79 ASP N N 97 122.829 122.829 122.295 0.534 18167 436 1 1 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.625 -0.213 18167 437 1 1 . 1 1 79 79 ASP C C 97 179.693 179.693 178.689 1.004 18167 438 1 1 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.321 0.673 18167 439 1 1 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.856 -0.326 18167 440 1 1 . 1 1 79 79 ASP H H 97 7.448 7.448 8.052 -0.604 18167 441 1 1 . 1 1 80 80 VAL N N 98 121.175 121.175 119.458 1.717 18167 442 1 1 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.733 -0.251 18167 443 1 1 . 1 1 80 80 VAL C C 98 178.667 178.667 178.162 0.505 18167 444 1 1 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.272 0.285 18167 445 1 1 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.723 -0.215 18167 446 1 1 . 1 1 80 80 VAL H H 98 8.390 8.390 8.773 -0.383 18167 447 1 1 . 1 1 81 81 GLY N N 99 108.920 108.920 108.090 0.830 18167 448 1 1 . 1 1 81 81 GLY C C 99 175.133 175.133 176.085 -0.952 18167 449 1 1 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.381 1.669 18167 450 1 1 . 1 1 81 81 GLY H H 99 8.630 8.630 7.901 0.729 18167 451 1 1 . 1 1 82 82 TYR N N 100 121.598 121.598 122.066 -0.468 18167 452 1 1 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.344 -0.016 18167 453 1 1 . 1 1 82 82 TYR C C 100 179.383 179.383 178.533 0.850 18167 454 1 1 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.455 0.284 18167 455 1 1 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.224 -1.125 18167 456 1 1 . 1 1 82 82 TYR H H 100 8.880 8.880 7.903 0.977 18167 457 1 1 . 1 1 83 83 ARG N N 101 121.436 121.436 119.073 2.363 18167 458 1 1 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.033 0.054 18167 459 1 1 . 1 1 83 83 ARG C C 101 178.906 178.906 178.979 -0.073 18167 460 1 1 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.981 0.566 18167 461 1 1 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.682 -0.059 18167 462 1 1 . 1 1 83 83 ARG H H 101 8.102 8.102 8.179 -0.077 18167 463 1 1 . 1 1 84 84 PHE N N 102 121.581 121.581 122.825 -1.244 18167 464 1 1 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.251 0.136 18167 465 1 1 . 1 1 84 84 PHE C C 102 177.731 177.731 177.059 0.672 18167 466 1 1 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.147 -1.141 18167 467 1 1 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.951 -0.710 18167 468 1 1 . 1 1 84 84 PHE H H 102 8.511 8.511 8.744 -0.233 18167 469 1 1 . 1 1 85 85 MET N N 103 117.909 117.909 117.966 -0.057 18167 470 1 1 . 1 1 85 85 MET HA H 103 3.850 3.850 3.824 0.026 18167 471 1 1 . 1 1 85 85 MET C C 103 178.063 178.063 178.338 -0.275 18167 472 1 1 . 1 1 85 85 MET CA C 103 57.352 57.352 57.539 -0.187 18167 473 1 1 . 1 1 85 85 MET CB C 103 33.654 33.654 31.170 2.484 18167 474 1 1 . 1 1 85 85 MET H H 103 8.350 8.350 7.713 0.637 18167 475 1 1 . 1 1 86 86 LYS N N 104 118.874 118.874 120.210 -1.336 18167 476 1 1 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.937 0.067 18167 477 1 1 . 1 1 86 86 LYS C C 104 177.910 177.910 179.027 -1.117 18167 478 1 1 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.822 -0.373 18167 479 1 1 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.327 -0.642 18167 480 1 1 . 1 1 86 86 LYS H H 104 7.578 7.578 7.783 -0.205 18167 481 1 1 . 1 1 87 87 THR N N 105 114.567 114.567 115.727 -1.160 18167 482 1 1 . 1 1 87 87 THR HA H 105 3.949 3.949 3.973 -0.024 18167 483 1 1 . 1 1 87 87 THR C C 105 176.912 176.912 176.480 0.432 18167 484 1 1 . 1 1 87 87 THR CA C 105 66.108 66.108 66.554 -0.446 18167 485 1 1 . 1 1 87 87 THR CB C 105 68.909 68.909 68.498 0.411 18167 486 1 1 . 1 1 87 87 THR H H 105 7.667 7.667 7.724 -0.057 18167 487 1 1 . 1 1 88 88 VAL N N 106 122.160 122.160 120.501 1.659 18167 488 1 1 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.535 -0.044 18167 489 1 1 . 1 1 88 88 VAL C C 106 178.950 178.950 178.298 0.652 18167 490 1 1 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.816 0.008 18167 491 1 1 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.040 0.469 18167 492 1 1 . 1 1 88 88 VAL H H 106 7.600 7.600 7.955 -0.355 18167 493 1 1 . 1 1 89 89 ASN N N 107 120.741 120.741 119.018 1.723 18167 494 1 1 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.343 0.147 18167 495 1 1 . 1 1 89 89 ASN C C 107 178.483 178.483 176.920 1.563 18167 496 1 1 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.639 0.303 18167 497 1 1 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.585 0.305 18167 498 1 1 . 1 1 89 89 ASN H H 107 8.501 8.501 8.443 0.058 18167 499 1 1 . 1 1 90 90 ASP N N 108 121.211 121.211 120.082 1.129 18167 500 1 1 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.345 0.135 18167 501 1 1 . 1 1 90 90 ASP C C 108 177.598 177.598 177.136 0.462 18167 502 1 1 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.844 -0.477 18167 503 1 1 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.648 -0.406 18167 504 1 1 . 1 1 90 90 ASP H H 108 8.824 8.824 8.219 0.605 18167 505 1 1 . 1 1 91 91 ALA N N 109 121.181 121.181 116.734 4.447 18167 506 1 1 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.370 0.022 18167 507 1 1 . 1 1 91 91 ALA C C 109 177.936 177.936 177.114 0.822 18167 508 1 1 . 1 1 91 91 ALA CA C 109 52.692 52.692 52.413 0.279 18167 509 1 1 . 1 1 91 91 ALA CB C 109 18.889 18.889 20.023 -1.134 18167 510 1 1 . 1 1 91 91 ALA H H 109 7.507 7.507 7.402 0.105 18167 511 1 1 . 1 1 92 92 SER N N 110 113.785 113.785 113.332 0.453 18167 512 1 1 . 1 1 92 92 SER HA H 110 4.537 4.537 4.655 -0.118 18167 513 1 1 . 1 1 92 92 SER C C 110 174.252 174.252 175.387 -1.135 18167 514 1 1 . 1 1 92 92 SER CA C 110 58.565 58.565 57.491 1.074 18167 515 1 1 . 1 1 92 92 SER CB C 110 64.795 64.795 63.515 1.280 18167 516 1 1 . 1 1 92 92 SER H H 110 7.611 7.611 7.344 0.267 18167 517 1 1 . 1 1 93 93 GLN N N 111 119.994 119.994 118.873 1.121 18167 518 1 1 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.316 0.107 18167 519 1 1 . 1 1 93 93 GLN C C 111 176.441 176.441 177.153 -0.712 18167 520 1 1 . 1 1 93 93 GLN CA C 111 55.792 55.792 56.836 -1.044 18167 521 1 1 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.639 0.204 18167 522 1 1 . 1 1 93 93 GLN H H 111 8.414 8.414 8.094 0.320 18167 523 1 1 . 1 1 94 94 GLY N N 112 107.948 107.948 110.553 -2.605 18167 524 1 1 . 1 1 94 94 GLY C C 112 174.406 174.406 174.607 -0.201 18167 525 1 1 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.178 -0.235 18167 526 1 1 . 1 1 94 94 GLY H H 112 8.467 8.467 8.575 -0.108 18167 527 1 1 . 1 1 95 95 ASP N N 113 119.500 119.500 119.010 0.490 18167 528 1 1 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.820 -0.264 18167 529 1 1 . 1 1 95 95 ASP C C 113 175.438 175.438 176.071 -0.633 18167 530 1 1 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.515 0.165 18167 531 1 1 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.840 -1.646 18167 532 1 1 . 1 1 95 95 ASP H H 113 8.423 8.423 8.485 -0.062 18167 533 1 1 . 1 1 96 96 ARG N N 114 118.992 118.992 120.319 -1.327 18167 534 1 1 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.777 0.284 18167 535 1 1 . 1 1 96 96 ARG C C 114 175.699 175.699 174.995 0.704 18167 536 1 1 . 1 1 96 96 ARG CA C 114 55.043 55.043 55.966 -0.923 18167 537 1 1 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.584 1.056 18167 538 1 1 . 1 1 96 96 ARG H H 114 7.507 7.507 8.139 -0.632 18167 539 1 1 . 1 1 97 97 GLN N N 115 121.149 121.149 118.851 2.298 18167 540 1 1 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.637 0.032 18167 541 1 1 . 1 1 97 97 GLN C C 115 173.696 173.696 174.128 -0.432 18167 542 1 1 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.517 0.040 18167 543 1 1 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.470 -1.397 18167 544 1 1 . 1 1 97 97 GLN H H 115 8.814 8.814 8.798 0.016 18167 545 1 1 . 1 1 98 98 ALA N N 116 129.789 129.789 127.508 2.281 18167 546 1 1 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.163 0.153 18167 547 1 1 . 1 1 98 98 ALA C C 116 176.503 176.503 176.380 0.123 18167 548 1 1 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.483 0.330 18167 549 1 1 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.378 0.664 18167 550 1 1 . 1 1 98 98 ALA H H 116 9.836 9.836 8.457 1.379 18167 551 1 1 . 1 1 99 99 GLU N N 117 122.780 122.780 124.342 -1.562 18167 552 1 1 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.645 -0.042 18167 553 1 1 . 1 1 99 99 GLU C C 117 174.361 174.361 174.968 -0.607 18167 554 1 1 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.639 -0.320 18167 555 1 1 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.166 0.146 18167 556 1 1 . 1 1 99 99 GLU H H 117 9.252 9.252 8.676 0.576 18167 557 1 1 . 1 1 100 100 LEU N N 118 127.043 127.043 128.807 -1.764 18167 558 1 1 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.441 -0.134 18167 559 1 1 . 1 1 100 100 LEU C C 118 176.338 176.338 176.290 0.048 18167 560 1 1 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.042 0.480 18167 561 1 1 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.071 0.570 18167 562 1 1 . 1 1 100 100 LEU H H 118 8.765 8.765 8.793 -0.028 18167 563 1 1 . 1 1 101 101 ILE N N 119 128.101 128.101 128.157 -0.056 18167 564 1 1 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.883 0.213 18167 565 1 1 . 1 1 101 101 ILE C C 119 175.634 175.634 176.323 -0.689 18167 566 1 1 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.397 -0.994 18167 567 1 1 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.620 0.438 18167 568 1 1 . 1 1 101 101 ILE H H 119 9.244 9.244 8.679 0.565 18167 569 1 1 . 1 1 102 102 ASN N N 120 114.715 114.715 114.340 0.375 18167 570 1 1 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.845 0.110 18167 571 1 1 . 1 1 102 102 ASN C C 120 172.326 172.326 172.531 -0.205 18167 572 1 1 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.204 1.169 18167 573 1 1 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.578 2.309 18167 574 1 1 . 1 1 102 102 ASN H H 120 7.989 7.989 7.982 0.007 18167 575 1 1 . 1 1 103 103 ALA N N 121 125.011 125.011 122.624 2.387 18167 576 1 1 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.268 0.189 18167 577 1 1 . 1 1 103 103 ALA C C 121 175.068 175.068 175.385 -0.317 18167 578 1 1 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.587 -0.229 18167 579 1 1 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.094 1.315 18167 580 1 1 . 1 1 103 103 ALA H H 121 8.182 8.182 8.369 -0.187 18167 581 1 1 . 1 1 104 104 GLU N N 122 121.148 121.148 120.530 0.618 18167 582 1 1 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.609 0.086 18167 583 1 1 . 1 1 104 104 GLU C C 122 173.666 173.666 173.965 -0.299 18167 584 1 1 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.822 0.271 18167 585 1 1 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.409 0.101 18167 586 1 1 . 1 1 104 104 GLU H H 122 8.817 8.817 8.509 0.308 18167 587 1 1 . 1 1 105 105 ALA N N 123 124.441 124.441 123.234 1.207 18167 588 1 1 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.387 0.140 18167 589 1 1 . 1 1 105 105 ALA C C 123 176.479 176.479 176.598 -0.119 18167 590 1 1 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.658 0.473 18167 591 1 1 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.777 1.073 18167 592 1 1 . 1 1 105 105 ALA H H 123 8.860 8.860 8.379 0.481 18167 593 1 1 . 1 1 106 106 ARG N N 124 120.892 120.892 119.855 1.037 18167 594 1 1 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.779 0.044 18167 595 1 1 . 1 1 106 106 ARG C C 124 172.820 172.820 174.389 -1.569 18167 596 1 1 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.396 0.376 18167 597 1 1 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.413 -1.143 18167 598 1 1 . 1 1 106 106 ARG H H 124 9.209 9.209 9.012 0.197 18167 599 1 1 . 1 1 107 107 ASP N N 125 122.706 122.706 122.509 0.197 18167 600 1 1 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.614 -0.374 18167 601 1 1 . 1 1 107 107 ASP C C 125 176.097 176.097 175.485 0.612 18167 602 1 1 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.424 -0.480 18167 603 1 1 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.462 0.676 18167 604 1 1 . 1 1 107 107 ASP H H 125 8.633 8.633 8.690 -0.057 18167 605 1 1 . 1 1 108 108 GLU N N 126 126.120 126.120 125.790 0.330 18167 606 1 1 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.713 -0.008 18167 607 1 1 . 1 1 108 108 GLU C C 126 175.768 175.768 176.242 -0.474 18167 608 1 1 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.480 -0.464 18167 609 1 1 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.428 -3.004 18167 610 1 1 . 1 1 108 108 GLU H H 126 9.152 9.152 9.334 -0.182 18167 611 1 1 . 1 1 109 109 ASP N N 127 126.277 126.277 123.953 2.324 18167 612 1 1 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.339 0.015 18167 613 1 1 . 1 1 109 109 ASP C C 127 175.414 175.414 176.433 -1.019 18167 614 1 1 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.810 0.580 18167 615 1 1 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.134 0.108 18167 616 1 1 . 1 1 109 109 ASP H H 127 9.067 9.067 9.255 -0.188 18167 617 1 1 . 1 1 110 110 GLY N N 128 106.859 106.859 103.735 3.124 18167 618 1 1 . 1 1 110 110 GLY C C 128 173.761 173.761 173.751 0.010 18167 619 1 1 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.248 -0.006 18167 620 1 1 . 1 1 110 110 GLY H H 128 9.008 9.008 8.710 0.298 18167 621 1 1 . 1 1 111 111 GLN N N 129 123.033 123.033 120.243 2.790 18167 622 1 1 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.508 -0.125 18167 623 1 1 . 1 1 111 111 GLN C C 129 173.901 173.901 174.573 -0.672 18167 624 1 1 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.243 -0.307 18167 625 1 1 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.860 -1.677 18167 626 1 1 . 1 1 111 111 GLN H H 129 7.825 7.825 8.273 -0.448 18167 627 1 1 . 1 1 112 112 VAL N N 130 128.263 128.263 126.773 1.490 18167 628 1 1 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.741 0.131 18167 629 1 1 . 1 1 112 112 VAL C C 130 175.591 175.591 174.805 0.786 18167 630 1 1 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.474 0.629 18167 631 1 1 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.181 -0.808 18167 632 1 1 . 1 1 112 112 VAL H H 130 8.330 8.330 8.339 -0.009 18167 633 1 1 . 1 1 113 113 TYR N N 131 126.702 126.702 124.884 1.818 18167 634 1 1 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.920 0.130 18167 635 1 1 . 1 1 113 113 TYR C C 131 175.477 175.477 175.012 0.465 18167 636 1 1 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.144 0.279 18167 637 1 1 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.827 0.662 18167 638 1 1 . 1 1 113 113 TYR H H 131 9.136 9.136 9.315 -0.179 18167 639 1 1 . 1 1 114 114 TYR N N 132 121.626 121.626 123.899 -2.273 18167 640 1 1 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.109 0.721 18167 641 1 1 . 1 1 114 114 TYR C C 132 175.368 175.368 175.560 -0.192 18167 642 1 1 . 1 1 114 114 TYR CA C 132 54.068 54.068 56.071 -2.003 18167 643 1 1 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.500 -1.183 18167 644 1 1 . 1 1 114 114 TYR H H 132 9.577 9.577 9.529 0.048 18167 645 1 1 . 1 1 115 115 THR N N 133 120.018 120.018 121.072 -1.054 18167 646 1 1 . 1 1 115 115 THR HA H 133 5.486 5.486 4.617 0.869 18167 647 1 1 . 1 1 115 115 THR C C 133 174.327 174.327 172.760 1.567 18167 648 1 1 . 1 1 115 115 THR CA C 133 61.648 61.648 62.078 -0.430 18167 649 1 1 . 1 1 115 115 THR CB C 133 69.622 69.622 70.065 -0.443 18167 650 1 1 . 1 1 115 115 THR H H 133 9.351 9.351 9.295 0.056 18167 651 1 1 . 1 1 116 116 LEU N N 134 127.249 127.249 128.162 -0.913 18167 652 1 1 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.744 0.551 18167 653 1 1 . 1 1 116 116 LEU C C 134 174.347 174.347 174.332 0.015 18167 654 1 1 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.252 -1.625 18167 655 1 1 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.265 -0.730 18167 656 1 1 . 1 1 116 116 LEU H H 134 10.010 10.010 9.435 0.575 18167 657 1 1 . 1 1 117 117 GLU N N 135 124.969 124.969 125.268 -0.299 18167 658 1 1 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.846 0.732 18167 659 1 1 . 1 1 117 117 GLU C C 135 175.635 175.635 174.862 0.773 18167 660 1 1 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.795 -0.656 18167 661 1 1 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.902 -0.739 18167 662 1 1 . 1 1 117 117 GLU H H 135 9.109 9.109 8.954 0.155 18167 663 1 1 . 1 1 118 118 TYR N N 136 125.868 125.868 123.006 2.862 18167 664 1 1 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.559 -0.284 18167 665 1 1 . 1 1 118 118 TYR C C 136 170.317 170.317 172.623 -2.306 18167 666 1 1 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.137 -0.126 18167 667 1 1 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.148 0.368 18167 668 1 1 . 1 1 118 118 TYR H H 136 8.973 8.973 8.350 0.623 18167 669 1 1 . 1 1 119 119 ARG N N 137 115.256 115.256 116.640 -1.384 18167 670 1 1 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.475 0.602 18167 671 1 1 . 1 1 119 119 ARG C C 137 173.643 173.643 173.936 -0.293 18167 672 1 1 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.166 -1.043 18167 673 1 1 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.147 -0.962 18167 674 1 1 . 1 1 119 119 ARG H H 137 8.920 8.920 8.960 -0.040 18167 675 1 1 . 1 1 120 120 VAL N N 138 119.767 119.767 120.791 -1.024 18167 676 1 1 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.545 0.241 18167 677 1 1 . 1 1 120 120 VAL C C 138 174.355 174.355 174.549 -0.194 18167 678 1 1 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.605 0.179 18167 679 1 1 . 1 1 120 120 VAL CB C 138 34.162 34.162 32.724 1.438 18167 680 1 1 . 1 1 120 120 VAL H H 138 8.430 8.430 8.513 -0.083 18167 681 1 1 . 1 1 121 121 LEU N N 139 129.915 129.915 128.080 1.835 18167 682 1 1 . 1 1 121 121 LEU HA H 139 5.085 5.085 4.922 0.163 18167 683 1 1 . 1 1 121 121 LEU C C 139 176.376 176.376 174.960 1.416 18167 684 1 1 . 1 1 121 121 LEU CA C 139 54.659 54.659 53.894 0.765 18167 685 1 1 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.150 -1.028 18167 686 1 1 . 1 1 121 121 LEU H H 139 9.333 9.333 9.148 0.185 18167 687 1 1 . 1 1 122 122 VAL N N 140 120.956 120.956 121.689 -0.733 18167 688 1 1 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.442 -0.067 18167 689 1 1 . 1 1 122 122 VAL C C 140 177.264 177.264 176.042 1.222 18167 690 1 1 . 1 1 122 122 VAL CA C 140 61.468 61.468 59.365 2.103 18167 691 1 1 . 1 1 122 122 VAL CB C 140 32.874 32.874 35.114 -2.240 18167 692 1 1 . 1 1 122 122 VAL H H 140 8.655 8.655 8.846 -0.191 18167 693 1 1 . 1 1 123 123 GLY N N 141 119.059 119.059 118.108 0.951 18167 694 1 1 . 1 1 123 123 GLY C C 141 174.482 174.482 173.892 0.590 18167 695 1 1 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.809 0.360 18167 696 1 1 . 1 1 123 123 GLY H H 141 8.940 8.940 8.605 0.335 18167 697 1 1 . 1 1 124 124 ASP N N 142 124.652 124.652 123.631 1.021 18167 698 1 1 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.853 -0.219 18167 699 1 1 . 1 1 124 124 ASP C C 142 175.588 175.588 174.790 0.798 18167 700 1 1 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.701 0.689 18167 701 1 1 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.489 -0.225 18167 702 1 1 . 1 1 124 124 ASP H H 142 8.722 8.722 8.508 0.214 18167 703 1 1 . 1 1 125 125 ASN N N 143 118.203 118.203 117.612 0.591 18167 704 1 1 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.987 -0.060 18167 705 1 1 . 1 1 125 125 ASN C C 143 174.095 174.095 173.473 0.622 18167 706 1 1 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.615 -0.210 18167 707 1 1 . 1 1 125 125 ASN CB C 143 41.063 41.063 42.798 -1.735 18167 708 1 1 . 1 1 125 125 ASN H H 143 8.023 8.023 8.385 -0.362 18167 709 1 1 . 1 1 126 126 VAL N N 144 123.424 123.424 120.991 2.433 18167 710 1 1 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.866 0.214 18167 711 1 1 . 1 1 126 126 VAL C C 144 175.767 175.767 175.937 -0.170 18167 712 1 1 . 1 1 126 126 VAL CA C 144 63.309 63.309 63.338 -0.029 18167 713 1 1 . 1 1 126 126 VAL H H 144 8.857 8.857 8.620 0.237 18167 714 1 1 . 1 1 127 127 GLU N N 145 130.709 130.709 128.978 1.731 18167 715 1 1 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.177 0.228 18167 716 1 1 . 1 1 127 127 GLU C C 145 176.522 176.522 176.239 0.283 18167 717 1 1 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.671 -0.707 18167 718 1 1 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.981 1.374 18167 719 1 1 . 1 1 127 127 GLU H H 145 9.487 9.487 9.183 0.304 18167 720 1 1 . 1 1 128 128 ARG N N 146 113.222 113.222 113.039 0.183 18167 721 1 1 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.496 0.565 18167 722 1 1 . 1 1 128 128 ARG C C 146 172.055 172.055 173.442 -1.387 18167 723 1 1 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.261 -0.880 18167 724 1 1 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.492 1.499 18167 725 1 1 . 1 1 128 128 ARG H H 146 7.657 7.657 7.313 0.344 18167 726 1 1 . 1 1 129 129 HIS N N 147 125.158 125.158 117.830 7.328 18167 727 1 1 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.414 0.218 18167 728 1 1 . 1 1 129 129 HIS C C 147 172.407 172.407 172.757 -0.350 18167 729 1 1 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.258 -1.062 18167 730 1 1 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.699 0.237 18167 731 1 1 . 1 1 129 129 HIS H H 147 9.295 9.295 8.386 0.909 18167 732 1 1 . 1 1 130 130 ASP N N 148 122.383 122.383 121.522 0.861 18167 733 1 1 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.861 1.266 18167 734 1 1 . 1 1 130 130 ASP C C 148 174.350 174.350 173.686 0.664 18167 735 1 1 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.628 -0.681 18167 736 1 1 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.265 -1.297 18167 737 1 1 . 1 1 130 130 ASP H H 148 8.879 8.879 7.905 0.974 18167 738 1 1 . 1 1 131 131 LEU N N 149 121.444 121.444 123.737 -2.293 18167 739 1 1 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.843 0.446 18167 740 1 1 . 1 1 131 131 LEU C C 149 174.289 174.289 174.252 0.037 18167 741 1 1 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.381 0.477 18167 742 1 1 . 1 1 131 131 LEU CB C 149 47.868 47.868 45.949 1.919 18167 743 1 1 . 1 1 131 131 LEU H H 149 8.916 8.916 8.165 0.751 18167 744 1 1 . 1 1 132 132 ALA N N 150 128.498 128.498 128.912 -0.414 18167 745 1 1 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.635 0.395 18167 746 1 1 . 1 1 132 132 ALA C C 150 176.044 176.044 175.830 0.214 18167 747 1 1 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.027 -0.626 18167 748 1 1 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.575 -0.752 18167 749 1 1 . 1 1 132 132 ALA H H 150 9.920 9.920 9.336 0.584 18167 750 1 1 . 1 1 133 133 SER N N 151 116.937 116.937 118.374 -1.437 18167 751 1 1 . 1 1 133 133 SER HA H 151 5.812 5.812 5.391 0.421 18167 752 1 1 . 1 1 133 133 SER C C 151 173.367 173.367 173.292 0.075 18167 753 1 1 . 1 1 133 133 SER CA C 151 56.394 56.394 57.431 -1.037 18167 754 1 1 . 1 1 133 133 SER CB C 151 65.448 65.448 65.897 -0.449 18167 755 1 1 . 1 1 133 133 SER H H 151 9.360 9.360 8.270 1.090 18167 756 1 1 . 1 1 134 134 VAL N N 152 126.011 126.011 125.517 0.494 18167 757 1 1 . 1 1 134 134 VAL HA H 152 5.409 5.409 5.028 0.381 18167 758 1 1 . 1 1 134 134 VAL C C 152 175.735 175.735 175.102 0.633 18167 759 1 1 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.125 -0.962 18167 760 1 1 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.232 1.688 18167 761 1 1 . 1 1 134 134 VAL H H 152 9.558 9.558 9.193 0.365 18167 762 1 1 . 1 1 135 135 THR N N 153 118.998 118.998 123.384 -4.386 18167 763 1 1 . 1 1 135 135 THR HA H 153 4.723 4.723 4.790 -0.067 18167 764 1 1 . 1 1 135 135 THR C C 153 171.746 171.746 173.340 -1.594 18167 765 1 1 . 1 1 135 135 THR CA C 153 61.221 61.221 61.504 -0.283 18167 766 1 1 . 1 1 135 135 THR CB C 153 69.300 69.300 72.622 -3.322 18167 767 1 1 . 1 1 135 135 THR H H 153 8.960 8.960 8.998 -0.038 18167 768 1 1 . 1 1 136 136 THR N N 154 109.883 109.883 116.995 -7.112 18167 769 1 1 . 1 1 136 136 THR HA H 154 5.636 5.636 5.289 0.347 18167 770 1 1 . 1 1 136 136 THR C C 154 173.904 173.904 174.036 -0.132 18167 771 1 1 . 1 1 136 136 THR CA C 154 58.391 58.391 59.447 -1.056 18167 772 1 1 . 1 1 136 136 THR CB C 154 71.387 71.387 70.258 1.129 18167 773 1 1 . 1 1 136 136 THR H H 154 7.940 7.940 8.630 -0.690 18167 774 1 1 . 1 1 137 137 ASN N N 155 115.138 115.138 121.404 -6.266 18167 775 1 1 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.805 0.101 18167 776 1 1 . 1 1 137 137 ASN C C 155 174.994 174.994 175.059 -0.065 18167 777 1 1 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.235 1.110 18167 778 1 1 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.383 1.423 18167 779 1 1 . 1 1 137 137 ASN H H 155 8.938 8.938 8.438 0.500 18167 780 1 1 . 1 1 138 138 ARG N N 156 125.040 125.040 126.883 -1.843 18167 781 1 1 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.985 -0.028 18167 782 1 1 . 1 1 138 138 ARG C C 156 175.870 175.870 175.730 0.140 18167 783 1 1 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.112 0.012 18167 784 1 1 . 1 1 138 138 ARG CB C 156 27.659 27.659 29.363 -1.704 18167 785 1 1 . 1 1 138 138 ARG H H 156 9.364 9.364 8.880 0.483 18167 786 1 1 . 1 1 139 139 GLY N N 157 104.408 104.408 102.907 1.501 18167 787 1 1 . 1 1 139 139 GLY C C 157 173.563 173.563 174.118 -0.555 18167 788 1 1 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.181 0.640 18167 789 1 1 . 1 1 139 139 GLY H H 157 8.862 8.862 8.491 0.371 18167 790 1 1 . 1 1 140 140 LYS N N 158 117.999 117.999 121.614 -3.615 18167 791 1 1 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.565 0.395 18167 792 1 1 . 1 1 140 140 LYS C C 158 174.527 174.527 175.327 -0.800 18167 793 1 1 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.069 -1.347 18167 794 1 1 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.120 1.744 18167 795 1 1 . 1 1 140 140 LYS H H 158 7.718 7.718 7.553 0.165 18167 796 1 1 . 1 1 141 141 LEU N N 159 124.332 124.332 126.813 -2.481 18167 797 1 1 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.444 0.186 18167 798 1 1 . 1 1 141 141 LEU C C 159 175.337 175.337 175.041 0.296 18167 799 1 1 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.370 -0.132 18167 800 1 1 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.197 0.675 18167 801 1 1 . 1 1 141 141 LEU H H 159 9.006 9.006 9.078 -0.072 18167 802 1 1 . 1 1 142 142 ILE N N 160 128.619 128.619 127.250 1.369 18167 803 1 1 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.475 0.254 18167 804 1 1 . 1 1 142 142 ILE C C 160 173.414 173.414 174.701 -1.287 18167 805 1 1 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.547 0.686 18167 806 1 1 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.869 -0.685 18167 807 1 1 . 1 1 142 142 ILE H H 160 9.129 9.129 8.798 0.331 18167 808 1 1 . 1 1 143 143 THR N N 161 122.266 122.266 122.446 -0.180 18167 809 1 1 . 1 1 143 143 THR HA H 161 4.797 4.797 5.304 -0.507 18167 810 1 1 . 1 1 143 143 THR C C 161 171.903 171.903 173.165 -1.262 18167 811 1 1 . 1 1 143 143 THR CA C 161 61.666 61.666 60.762 0.904 18167 812 1 1 . 1 1 143 143 THR CB C 161 70.025 70.025 71.614 -1.589 18167 813 1 1 . 1 1 143 143 THR H H 161 8.818 8.818 8.198 0.620 18167 814 1 1 . 1 1 144 144 PHE N N 162 130.742 130.742 126.516 4.226 18167 815 1 1 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.760 0.030 18167 816 1 1 . 1 1 144 144 PHE C C 162 173.404 173.404 173.569 -0.165 18167 817 1 1 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.161 -0.941 18167 818 1 1 . 1 1 144 144 PHE CB C 162 39.740 39.740 40.864 -1.123 18167 819 1 1 . 1 1 144 144 PHE H H 162 9.219 9.219 8.750 0.469 18167 820 1 1 . 1 1 145 145 ASP N N 163 127.154 127.154 127.075 0.079 18167 821 1 1 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.250 -0.294 18167 822 1 1 . 1 1 145 145 ASP C C 163 174.933 174.933 174.934 -0.001 18167 823 1 1 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.553 -0.143 18167 824 1 1 . 1 1 145 145 ASP CB C 163 43.324 43.324 41.882 1.442 18167 825 1 1 . 1 1 145 145 ASP H H 163 8.862 8.862 8.554 0.308 18167 826 1 1 . 1 1 146 146 LEU N N 164 131.658 131.658 126.569 5.089 18167 827 1 1 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.775 -0.180 18167 828 1 1 . 1 1 146 146 LEU C C 164 174.511 174.511 175.564 -1.053 18167 829 1 1 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.295 -0.325 18167 830 1 1 . 1 1 146 146 LEU CB C 164 43.097 43.097 44.911 -1.815 18167 831 1 1 . 1 1 146 146 LEU H H 164 8.938 8.938 8.536 0.402 18167 832 1 1 . 1 1 147 147 SER N N 165 114.966 114.966 116.742 -1.776 18167 833 1 1 . 1 1 147 147 SER HA H 165 5.186 5.186 5.233 -0.047 18167 834 1 1 . 1 1 147 147 SER C C 165 173.417 173.417 173.682 -0.265 18167 835 1 1 . 1 1 147 147 SER CA C 165 56.600 56.600 56.823 -0.223 18167 836 1 1 . 1 1 147 147 SER CB C 165 67.205 67.205 66.374 0.831 18167 837 1 1 . 1 1 147 147 SER H H 165 8.995 8.995 8.778 0.217 18167 838 1 1 . 1 1 148 148 THR N N 166 118.620 118.620 117.789 0.831 18167 839 1 1 . 1 1 148 148 THR HA H 166 5.144 5.144 4.672 0.472 18167 840 1 1 . 1 1 148 148 THR C C 166 173.151 173.151 173.019 0.132 18167 841 1 1 . 1 1 148 148 THR CA C 166 60.362 60.362 61.856 -1.494 18167 842 1 1 . 1 1 148 148 THR CB C 166 69.214 69.214 72.902 -3.688 18167 843 1 1 . 1 1 148 148 THR H H 166 8.614 8.614 7.956 0.658 18167 844 1 1 . 1 1 149 149 ALA N N 167 124.595 124.595 123.943 0.652 18167 845 1 1 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.340 0.265 18167 846 1 1 . 1 1 149 149 ALA C C 167 179.460 179.460 178.647 0.813 18167 847 1 1 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.758 -1.202 18167 848 1 1 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.702 0.556 18167 849 1 1 . 1 1 149 149 ALA H H 167 8.107 8.107 8.558 -0.451 18167 850 1 1 . 1 1 150 150 GLU N N 168 123.906 123.906 121.782 2.124 18167 851 1 1 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.135 0.363 18167 852 1 1 . 1 1 150 150 GLU C C 168 178.587 178.587 178.005 0.582 18167 853 1 1 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.250 -0.304 18167 854 1 1 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.289 -0.582 18167 855 1 1 . 1 1 150 150 GLU H H 168 8.471 8.471 9.114 -0.643 18167 856 1 1 . 1 1 151 151 ASP N N 169 114.005 114.005 119.499 -5.494 18167 857 1 1 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.487 -0.004 18167 858 1 1 . 1 1 151 151 ASP C C 169 177.260 177.260 177.399 -0.139 18167 859 1 1 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.667 -0.749 18167 860 1 1 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.528 -0.443 18167 861 1 1 . 1 1 151 151 ASP H H 169 8.575 8.575 8.688 -0.114 18167 862 1 1 . 1 1 152 152 ARG N N 170 118.283 118.283 117.034 1.249 18167 863 1 1 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.696 -0.365 18167 864 1 1 . 1 1 152 152 ARG C C 170 177.094 177.094 177.267 -0.173 18167 865 1 1 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.694 0.141 18167 866 1 1 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.770 0.214 18167 867 1 1 . 1 1 152 152 ARG H H 170 7.663 7.663 7.632 0.031 18167 868 1 1 . 1 1 153 153 TRP N N 171 122.336 122.336 123.699 -1.363 18167 869 1 1 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.496 -0.586 18167 870 1 1 . 1 1 153 153 TRP C C 171 175.820 175.820 176.053 -0.233 18167 871 1 1 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.973 -1.097 18167 872 1 1 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.393 0.015 18167 873 1 1 . 1 1 153 153 TRP H H 171 7.689 7.689 7.927 -0.238 18167 874 1 1 . 1 1 154 154 ASP N N 172 114.179 114.179 117.104 -2.925 18167 875 1 1 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.452 -0.435 18167 876 1 1 . 1 1 154 154 ASP C C 172 178.442 178.442 179.230 -0.788 18167 877 1 1 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.828 0.675 18167 878 1 1 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.618 -0.454 18167 879 1 1 . 1 1 154 154 ASP H H 172 8.690 8.690 8.450 0.240 18167 880 1 1 . 1 1 155 155 THR N N 173 114.661 114.661 116.433 -1.772 18167 881 1 1 . 1 1 155 155 THR HA H 173 3.990 3.990 4.086 -0.096 18167 882 1 1 . 1 1 155 155 THR C C 173 175.985 175.985 175.808 0.177 18167 883 1 1 . 1 1 155 155 THR CA C 173 65.585 65.585 65.413 0.172 18167 884 1 1 . 1 1 155 155 THR CB C 173 69.076 69.076 69.256 -0.180 18167 885 1 1 . 1 1 155 155 THR H H 173 7.635 7.635 7.692 -0.057 18167 886 1 1 . 1 1 156 156 VAL N N 174 113.687 113.687 114.581 -0.894 18167 887 1 1 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.268 0.009 18167 888 1 1 . 1 1 156 156 VAL C C 174 176.185 176.185 174.855 1.330 18167 889 1 1 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.819 1.625 18167 890 1 1 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.270 2.883 18167 891 1 1 . 1 1 156 156 VAL H H 174 7.447 7.447 7.971 -0.524 18167 892 1 1 . 1 1 157 157 LYS N N 175 123.084 123.084 120.805 2.279 18167 893 1 1 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.446 -0.602 18167 894 1 1 . 1 1 157 157 LYS C C 175 177.321 177.321 177.876 -0.555 18167 895 1 1 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.570 0.649 18167 896 1 1 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.302 -1.107 18167 897 1 1 . 1 1 157 157 LYS H H 175 7.548 7.548 7.051 0.497 18167 898 1 1 . 1 1 158 158 SER N N 176 114.046 114.046 115.248 -1.202 18167 899 1 1 . 1 1 158 158 SER HA H 176 3.820 3.820 4.145 -0.325 18167 900 1 1 . 1 1 158 158 SER C C 176 176.927 176.927 176.034 0.893 18167 901 1 1 . 1 1 158 158 SER CA C 176 61.600 61.600 60.401 1.199 18167 902 1 1 . 1 1 158 158 SER CB C 176 62.048 62.048 62.378 -0.330 18167 903 1 1 . 1 1 158 158 SER H H 176 8.161 8.161 8.100 0.061 18167 904 1 1 . 1 1 159 159 LEU N N 177 126.125 126.125 121.933 4.192 18167 905 1 1 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.708 0.465 18167 906 1 1 . 1 1 159 159 LEU C C 177 178.403 178.403 178.298 0.105 18167 907 1 1 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.536 0.166 18167 908 1 1 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.372 -0.296 18167 909 1 1 . 1 1 159 159 LEU H H 177 7.587 7.587 7.560 0.027 18167 910 1 1 . 1 1 160 160 PHE N N 178 119.582 119.582 116.432 3.150 18167 911 1 1 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.975 0.307 18167 912 1 1 . 1 1 160 160 PHE C C 178 177.277 177.277 177.805 -0.528 18167 913 1 1 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.180 -2.470 18167 914 1 1 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.521 -1.981 18167 915 1 1 . 1 1 160 160 PHE H H 178 9.067 9.067 6.687 2.380 18167 916 1 1 . 1 1 161 161 ASP N N 179 120.599 120.599 120.176 0.423 18167 917 1 1 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.391 -0.051 18167 918 1 1 . 1 1 161 161 ASP C C 179 179.216 179.216 178.665 0.551 18167 919 1 1 . 1 1 161 161 ASP CA C 179 57.902 57.902 56.832 1.070 18167 920 1 1 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.416 0.541 18167 921 1 1 . 1 1 161 161 ASP H H 179 8.578 8.578 7.646 0.932 18167 922 1 1 . 1 1 162 162 THR N N 180 118.300 118.300 118.074 0.226 18167 923 1 1 . 1 1 162 162 THR HA H 180 3.849 3.849 3.974 -0.125 18167 924 1 1 . 1 1 162 162 THR C C 180 176.875 176.875 176.703 0.172 18167 925 1 1 . 1 1 162 162 THR CA C 180 66.977 66.977 66.658 0.319 18167 926 1 1 . 1 1 162 162 THR CB C 180 68.886 68.886 68.885 0.001 18167 927 1 1 . 1 1 162 162 THR H H 180 7.771 7.771 8.297 -0.526 18167 928 1 1 . 1 1 163 163 VAL N N 181 123.234 123.234 121.584 1.650 18167 929 1 1 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.542 0.052 18167 930 1 1 . 1 1 163 163 VAL C C 181 180.016 180.016 177.381 2.635 18167 931 1 1 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.638 0.118 18167 932 1 1 . 1 1 163 163 VAL CB C 181 31.712 31.712 30.961 0.751 18167 933 1 1 . 1 1 163 163 VAL H H 181 8.831 8.831 7.875 0.956 18167 934 1 1 . 1 1 164 164 ALA N N 182 124.654 124.654 121.689 2.965 18167 935 1 1 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.562 0.700 18167 936 1 1 . 1 1 164 164 ALA C C 182 180.510 180.510 178.856 1.654 18167 937 1 1 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.611 1.848 18167 938 1 1 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.451 -0.888 18167 939 1 1 . 1 1 164 164 ALA H H 182 9.662 9.662 7.636 2.026 18167 940 1 1 . 1 1 165 165 SER N N 183 112.325 112.325 112.566 -0.241 18167 941 1 1 . 1 1 165 165 SER HA H 183 4.173 4.173 4.335 -0.163 18167 942 1 1 . 1 1 165 165 SER C C 183 173.817 173.817 176.686 -2.869 18167 943 1 1 . 1 1 165 165 SER CA C 183 61.155 61.155 60.445 0.710 18167 944 1 1 . 1 1 165 165 SER CB C 183 63.140 63.140 63.837 -0.697 18167 945 1 1 . 1 1 165 165 SER H H 183 7.988 7.988 8.195 -0.207 18167 946 1 1 . 1 1 166 166 SER N N 184 117.332 117.332 117.159 0.173 18167 947 1 1 . 1 1 166 166 SER HA H 184 4.356 4.356 4.476 -0.120 18167 948 1 1 . 1 1 166 166 SER C C 184 174.163 174.163 175.879 -1.716 18167 949 1 1 . 1 1 166 166 SER CA C 184 59.502 59.502 59.884 -0.382 18167 950 1 1 . 1 1 166 166 SER CB C 184 63.416 63.416 63.435 -0.019 18167 951 1 1 . 1 1 166 166 SER H H 184 7.766 7.766 8.373 -0.607 18167 952 1 1 . 1 1 167 167 PHE N N 185 124.827 124.827 121.839 2.988 18167 953 1 1 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.776 0.387 18167 954 1 1 . 1 1 167 167 PHE C C 185 174.545 174.545 175.245 -0.700 18167 955 1 1 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.300 -0.798 18167 956 1 1 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.646 -1.256 18167 957 1 1 . 1 1 167 167 PHE H H 185 7.101 7.101 7.816 -0.715 18167 958 1 1 . 1 1 168 168 HIS N N 186 127.050 127.050 120.758 6.292 18167 959 1 1 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.553 0.600 18167 960 1 1 . 1 1 168 168 HIS C C 186 172.836 172.836 173.241 -0.405 18167 961 1 1 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.927 -0.771 18167 962 1 1 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.847 -1.844 18167 963 1 1 . 1 1 168 168 HIS H H 186 8.645 8.645 8.706 -0.061 18167 964 1 1 . 1 1 169 169 VAL N N 187 114.268 114.268 118.593 -4.325 18167 965 1 1 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.168 -0.008 18167 966 1 1 . 1 1 169 169 VAL C C 187 174.449 174.449 174.152 0.297 18167 967 1 1 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.829 -0.476 18167 968 1 1 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.815 -1.406 18167 969 1 1 . 1 1 169 169 VAL H H 187 7.466 7.466 7.528 -0.062 18167 970 1 2 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.507 -0.035 18167 971 1 2 . 1 1 2 2 PRO C C 20 177.006 177.006 176.762 0.244 18167 972 1 2 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.780 0.260 18167 973 1 2 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.741 -0.677 18167 974 1 2 . 1 1 3 3 LEU N N 21 122.423 122.423 121.790 0.633 18167 975 1 2 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.493 -0.152 18167 976 1 2 . 1 1 3 3 LEU C C 21 177.928 177.928 177.930 -0.002 18167 977 1 2 . 1 1 3 3 LEU CA C 21 55.318 55.318 54.590 0.728 18167 978 1 2 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.432 -0.166 18167 979 1 2 . 1 1 3 3 LEU H H 21 8.551 8.551 8.296 0.255 18167 980 1 2 . 1 1 4 4 GLY N N 22 109.759 109.759 109.668 0.091 18167 981 1 2 . 1 1 4 4 GLY C C 22 174.309 174.309 174.204 0.105 18167 982 1 2 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.120 0.110 18167 983 1 2 . 1 1 4 4 GLY H H 22 8.423 8.423 8.356 0.067 18167 984 1 2 . 1 1 5 5 SER N N 23 115.538 115.538 112.604 2.934 18167 985 1 2 . 1 1 5 5 SER HA H 23 4.488 4.488 4.439 0.049 18167 986 1 2 . 1 1 5 5 SER C C 23 174.841 174.841 173.996 0.845 18167 987 1 2 . 1 1 5 5 SER CA C 23 58.329 58.329 58.206 0.123 18167 988 1 2 . 1 1 5 5 SER CB C 23 63.957 63.957 63.644 0.313 18167 989 1 2 . 1 1 5 5 SER H H 23 8.233 8.233 8.419 -0.186 18167 990 1 2 . 1 1 6 6 CYS N N 24 120.699 120.699 121.392 -0.693 18167 991 1 2 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.771 -0.229 18167 992 1 2 . 1 1 6 6 CYS C C 24 175.079 175.079 176.402 -1.323 18167 993 1 2 . 1 1 6 6 CYS CA C 24 58.717 58.717 57.596 1.121 18167 994 1 2 . 1 1 6 6 CYS CB C 24 27.969 27.969 26.944 1.025 18167 995 1 2 . 1 1 6 6 CYS H H 24 8.493 8.493 8.055 0.438 18167 996 1 2 . 1 1 7 7 GLY N N 25 110.895 110.895 115.193 -4.298 18167 997 1 2 . 1 1 7 7 GLY C C 25 174.402 174.402 174.911 -0.509 18167 998 1 2 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.093 0.385 18167 999 1 2 . 1 1 7 7 GLY H H 25 8.449 8.449 8.797 -0.348 18167 1000 1 2 . 1 1 8 8 GLY N N 26 108.733 108.733 109.769 -1.036 18167 1001 1 2 . 1 1 8 8 GLY C C 26 174.113 174.113 175.264 -1.151 18167 1002 1 2 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.899 0.281 18167 1003 1 2 . 1 1 8 8 GLY H H 26 8.236 8.236 8.007 0.229 18167 1004 1 2 . 1 1 9 9 VAL N N 27 118.903 118.903 119.553 -0.650 18167 1005 1 2 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.126 -0.002 18167 1006 1 2 . 1 1 9 9 VAL C C 27 176.630 176.630 176.740 -0.110 18167 1007 1 2 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.632 -0.247 18167 1008 1 2 . 1 1 9 9 VAL CB C 27 32.521 32.521 31.686 0.835 18167 1009 1 2 . 1 1 9 9 VAL H H 27 8.019 8.019 7.597 0.422 18167 1010 1 2 . 1 1 10 10 GLY N N 28 112.317 112.317 113.962 -1.645 18167 1011 1 2 . 1 1 10 10 GLY C C 28 174.378 174.378 174.164 0.214 18167 1012 1 2 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.045 1.301 18167 1013 1 2 . 1 1 10 10 GLY H H 28 8.483 8.483 8.176 0.307 18167 1014 1 2 . 1 1 11 11 ILE N N 29 119.788 119.788 117.599 2.189 18167 1015 1 2 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.181 -0.100 18167 1016 1 2 . 1 1 11 11 ILE C C 29 176.168 176.168 175.214 0.954 18167 1017 1 2 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.986 0.426 18167 1018 1 2 . 1 1 11 11 ILE CB C 29 38.557 38.557 38.705 -0.148 18167 1019 1 2 . 1 1 11 11 ILE H H 29 7.948 7.948 8.209 -0.261 18167 1020 1 2 . 1 1 12 12 ALA N N 30 126.009 126.009 124.284 1.725 18167 1021 1 2 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.473 -0.185 18167 1022 1 2 . 1 1 12 12 ALA C C 30 177.504 177.504 176.409 1.095 18167 1023 1 2 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.024 0.841 18167 1024 1 2 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.049 -1.083 18167 1025 1 2 . 1 1 12 12 ALA H H 30 8.247 8.247 8.358 -0.111 18167 1026 1 2 . 1 1 13 13 SER N N 31 113.949 113.949 117.316 -3.367 18167 1027 1 2 . 1 1 13 13 SER HA H 31 4.392 4.392 4.733 -0.341 18167 1028 1 2 . 1 1 13 13 SER C C 31 173.644 173.644 172.595 1.049 18167 1029 1 2 . 1 1 13 13 SER CA C 31 58.329 58.329 57.750 0.579 18167 1030 1 2 . 1 1 13 13 SER CB C 31 63.609 63.609 63.248 0.361 18167 1031 1 2 . 1 1 13 13 SER H H 31 8.045 8.045 8.258 -0.213 18167 1032 1 2 . 1 1 14 14 LEU N N 32 122.240 122.240 125.505 -3.265 18167 1033 1 2 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.375 0.170 18167 1034 1 2 . 1 1 14 14 LEU C C 32 176.001 176.001 175.805 0.196 18167 1035 1 2 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.611 0.266 18167 1036 1 2 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.889 0.356 18167 1037 1 2 . 1 1 14 14 LEU H H 32 7.749 7.749 8.575 -0.826 18167 1038 1 2 . 1 1 15 15 GLN N N 33 120.685 120.685 121.496 -0.811 18167 1039 1 2 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.371 0.011 18167 1040 1 2 . 1 1 15 15 GLN C C 33 172.944 172.944 174.026 -1.082 18167 1041 1 2 . 1 1 15 15 GLN CA C 33 53.461 53.461 54.249 -0.788 18167 1042 1 2 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.780 -1.037 18167 1043 1 2 . 1 1 15 15 GLN H H 33 8.780 8.780 7.869 0.911 18167 1044 1 2 . 1 1 16 16 ARG N N 34 120.341 120.341 118.756 1.585 18167 1045 1 2 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.763 0.141 18167 1046 1 2 . 1 1 16 16 ARG C C 34 175.846 175.846 174.427 1.419 18167 1047 1 2 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.994 0.707 18167 1048 1 2 . 1 1 16 16 ARG CB C 34 32.742 32.742 33.286 -0.544 18167 1049 1 2 . 1 1 16 16 ARG H H 34 8.274 8.274 8.337 -0.063 18167 1050 1 2 . 1 1 17 17 TYR N N 35 128.733 128.733 123.583 5.150 18167 1051 1 2 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.783 -0.225 18167 1052 1 2 . 1 1 17 17 TYR C C 35 173.307 173.307 173.095 0.212 18167 1053 1 2 . 1 1 17 17 TYR CA C 35 57.733 57.733 58.001 -0.268 18167 1054 1 2 . 1 1 17 17 TYR CB C 35 41.583 41.583 42.259 -0.676 18167 1055 1 2 . 1 1 17 17 TYR H H 35 9.104 9.104 8.123 0.981 18167 1056 1 2 . 1 1 18 18 SER N N 36 119.150 119.150 119.569 -0.419 18167 1057 1 2 . 1 1 18 18 SER HA H 36 4.786 4.786 4.942 -0.156 18167 1058 1 2 . 1 1 18 18 SER C C 36 172.002 172.002 172.252 -0.250 18167 1059 1 2 . 1 1 18 18 SER CA C 36 56.341 56.341 56.562 -0.221 18167 1060 1 2 . 1 1 18 18 SER CB C 36 65.327 65.327 66.364 -1.037 18167 1061 1 2 . 1 1 18 18 SER H H 36 7.398 7.398 7.498 -0.100 18167 1062 1 2 . 1 1 19 19 ASP N N 37 124.935 124.935 120.863 4.072 18167 1063 1 2 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.993 -0.322 18167 1064 1 2 . 1 1 19 19 ASP C C 37 176.089 176.089 176.599 -0.510 18167 1065 1 2 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.892 -1.083 18167 1066 1 2 . 1 1 19 19 ASP CB C 37 42.465 42.465 44.500 -2.035 18167 1067 1 2 . 1 1 19 19 ASP H H 37 8.607 8.607 8.416 0.191 18167 1068 1 2 . 1 1 20 20 THR N N 38 117.032 117.032 116.624 0.408 18167 1069 1 2 . 1 1 20 20 THR HA H 38 4.316 4.316 3.980 0.336 18167 1070 1 2 . 1 1 20 20 THR C C 38 175.794 175.794 175.725 0.069 18167 1071 1 2 . 1 1 20 20 THR CA C 38 63.123 63.123 64.442 -1.319 18167 1072 1 2 . 1 1 20 20 THR CB C 38 68.905 68.905 69.140 -0.235 18167 1073 1 2 . 1 1 20 20 THR H H 38 8.470 8.470 8.495 -0.025 18167 1074 1 2 . 1 1 21 21 LYS N N 39 124.893 124.893 121.365 3.528 18167 1075 1 2 . 1 1 21 21 LYS HA H 39 4.189 4.189 3.983 0.206 18167 1076 1 2 . 1 1 21 21 LYS C C 39 177.678 177.678 177.255 0.423 18167 1077 1 2 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.562 -0.768 18167 1078 1 2 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.544 -0.876 18167 1079 1 2 . 1 1 21 21 LYS H H 39 8.201 8.201 8.083 0.118 18167 1080 1 2 . 1 1 22 22 ASP N N 40 118.183 118.183 115.421 2.762 18167 1081 1 2 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.566 0.255 18167 1082 1 2 . 1 1 22 22 ASP C C 40 176.752 176.752 176.952 -0.200 18167 1083 1 2 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.041 0.838 18167 1084 1 2 . 1 1 22 22 ASP CB C 40 41.869 41.869 41.005 0.864 18167 1085 1 2 . 1 1 22 22 ASP H H 40 8.480 8.480 8.608 -0.128 18167 1086 1 2 . 1 1 23 23 GLY N N 41 108.978 108.978 108.283 0.695 18167 1087 1 2 . 1 1 23 23 GLY C C 41 172.396 172.396 173.028 -0.632 18167 1088 1 2 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.539 1.577 18167 1089 1 2 . 1 1 23 23 GLY H H 41 7.421 7.421 8.289 -0.868 18167 1090 1 2 . 1 1 24 24 TYR N N 42 112.046 112.046 116.117 -4.071 18167 1091 1 2 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.965 -0.571 18167 1092 1 2 . 1 1 24 24 TYR C C 42 173.028 173.028 173.075 -0.047 18167 1093 1 2 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.489 1.343 18167 1094 1 2 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.604 0.250 18167 1095 1 2 . 1 1 24 24 TYR H H 42 7.506 7.506 7.891 -0.385 18167 1096 1 2 . 1 1 25 25 GLU N N 43 117.470 117.470 120.577 -3.107 18167 1097 1 2 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.038 0.430 18167 1098 1 2 . 1 1 25 25 GLU C C 43 173.311 173.311 174.371 -1.060 18167 1099 1 2 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.153 -0.922 18167 1100 1 2 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.928 -0.303 18167 1101 1 2 . 1 1 25 25 GLU H H 43 8.934 8.934 8.888 0.046 18167 1102 1 2 . 1 1 26 26 PHE N N 44 112.795 112.795 116.601 -3.806 18167 1103 1 2 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.092 -0.250 18167 1104 1 2 . 1 1 26 26 PHE C C 44 172.776 172.776 173.142 -0.366 18167 1105 1 2 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.681 -0.065 18167 1106 1 2 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.596 -1.147 18167 1107 1 2 . 1 1 26 26 PHE H H 44 8.532 8.532 8.321 0.211 18167 1108 1 2 . 1 1 27 27 LEU N N 45 119.784 119.784 121.613 -1.829 18167 1109 1 2 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.971 0.549 18167 1110 1 2 . 1 1 27 27 LEU C C 45 174.965 174.965 176.692 -1.727 18167 1111 1 2 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.880 -1.106 18167 1112 1 2 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.296 1.354 18167 1113 1 2 . 1 1 27 27 LEU H H 45 9.241 9.241 8.898 0.343 18167 1114 1 2 . 1 1 28 28 TYR N N 46 113.008 113.008 118.763 -5.755 18167 1115 1 2 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.636 0.277 18167 1116 1 2 . 1 1 28 28 TYR C C 46 171.354 171.354 172.362 -1.008 18167 1117 1 2 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.319 0.438 18167 1118 1 2 . 1 1 28 28 TYR CB C 46 38.147 38.147 37.778 0.369 18167 1119 1 2 . 1 1 28 28 TYR H H 46 8.951 8.951 8.325 0.626 18167 1120 1 2 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.922 0.085 18167 1121 1 2 . 1 1 29 29 PRO C C 47 176.165 176.165 176.105 0.060 18167 1122 1 2 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.609 0.709 18167 1123 1 2 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.072 -0.731 18167 1124 1 2 . 1 1 30 30 ASN N N 48 119.923 119.923 119.721 0.202 18167 1125 1 2 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.397 -0.134 18167 1126 1 2 . 1 1 30 30 ASN C C 48 176.347 176.347 176.138 0.209 18167 1127 1 2 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.835 1.366 18167 1128 1 2 . 1 1 30 30 ASN CB C 48 38.588 38.588 39.151 -0.563 18167 1129 1 2 . 1 1 30 30 ASN H H 48 8.163 8.163 7.755 0.408 18167 1130 1 2 . 1 1 31 31 GLY N N 49 111.442 111.442 108.449 2.993 18167 1131 1 2 . 1 1 31 31 GLY C C 49 174.985 174.985 174.798 0.187 18167 1132 1 2 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.015 0.377 18167 1133 1 2 . 1 1 31 31 GLY H H 49 8.702 8.702 8.692 0.010 18167 1134 1 2 . 1 1 32 32 TRP N N 50 122.100 122.100 120.889 1.211 18167 1135 1 2 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.060 0.282 18167 1136 1 2 . 1 1 32 32 TRP C C 50 176.370 176.370 177.379 -1.009 18167 1137 1 2 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.304 0.989 18167 1138 1 2 . 1 1 32 32 TRP CB C 50 30.104 30.104 29.992 0.112 18167 1139 1 2 . 1 1 32 32 TRP H H 50 8.008 8.008 7.780 0.228 18167 1140 1 2 . 1 1 33 33 ILE N N 51 117.163 117.163 121.031 -3.868 18167 1141 1 2 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.800 0.155 18167 1142 1 2 . 1 1 33 33 ILE C C 51 175.549 175.549 175.133 0.416 18167 1143 1 2 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.836 -0.608 18167 1144 1 2 . 1 1 33 33 ILE CB C 51 42.089 42.089 39.469 2.620 18167 1145 1 2 . 1 1 33 33 ILE H H 51 9.249 9.249 8.348 0.901 18167 1146 1 2 . 1 1 34 34 GLY N N 52 111.812 111.812 112.527 -0.715 18167 1147 1 2 . 1 1 34 34 GLY C C 52 173.956 173.956 173.750 0.206 18167 1148 1 2 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.193 1.211 18167 1149 1 2 . 1 1 34 34 GLY H H 52 8.787 8.787 8.493 0.294 18167 1150 1 2 . 1 1 35 35 VAL N N 53 122.174 122.174 124.533 -2.359 18167 1151 1 2 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.225 -0.081 18167 1152 1 2 . 1 1 35 35 VAL C C 53 174.921 174.921 175.006 -0.085 18167 1153 1 2 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.843 -0.186 18167 1154 1 2 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.069 -0.029 18167 1155 1 2 . 1 1 35 35 VAL H H 53 7.763 7.763 8.722 -0.959 18167 1156 1 2 . 1 1 36 36 ASP N N 54 125.424 125.424 126.789 -1.365 18167 1157 1 2 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.617 -0.028 18167 1158 1 2 . 1 1 36 36 ASP C C 54 176.890 176.890 175.763 1.127 18167 1159 1 2 . 1 1 36 36 ASP CA C 54 54.450 54.450 53.175 1.275 18167 1160 1 2 . 1 1 36 36 ASP CB C 54 41.173 41.173 40.846 0.327 18167 1161 1 2 . 1 1 36 36 ASP H H 54 8.425 8.425 8.541 -0.116 18167 1162 1 2 . 1 1 37 37 VAL N N 55 120.335 120.335 117.943 2.392 18167 1163 1 2 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.353 -0.185 18167 1164 1 2 . 1 1 37 37 VAL C C 55 176.785 176.785 175.258 1.527 18167 1165 1 2 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.182 0.737 18167 1166 1 2 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.337 -0.547 18167 1167 1 2 . 1 1 37 37 VAL H H 55 8.215 8.215 8.109 0.106 18167 1168 1 2 . 1 1 38 38 LYS N N 56 124.881 124.881 123.166 1.715 18167 1169 1 2 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.299 -0.097 18167 1170 1 2 . 1 1 38 38 LYS C C 56 177.828 177.828 177.938 -0.110 18167 1171 1 2 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.326 0.677 18167 1172 1 2 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.483 -0.846 18167 1173 1 2 . 1 1 38 38 LYS H H 56 8.331 8.331 8.154 0.177 18167 1174 1 2 . 1 1 39 39 GLY N N 57 111.152 111.152 112.749 -1.597 18167 1175 1 2 . 1 1 39 39 GLY C C 57 174.253 174.253 174.092 0.161 18167 1176 1 2 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.877 0.483 18167 1177 1 2 . 1 1 39 39 GLY H H 57 8.651 8.651 9.078 -0.427 18167 1178 1 2 . 1 1 40 40 ALA N N 58 123.085 123.085 122.248 0.837 18167 1179 1 2 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.396 -0.013 18167 1180 1 2 . 1 1 40 40 ALA C C 58 177.125 177.125 176.962 0.163 18167 1181 1 2 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.282 1.072 18167 1182 1 2 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.585 0.032 18167 1183 1 2 . 1 1 40 40 ALA H H 58 7.839 7.839 7.524 0.315 18167 1184 1 2 . 1 1 41 41 SER N N 59 115.088 115.088 115.518 -0.430 18167 1185 1 2 . 1 1 41 41 SER HA H 59 4.688 4.688 4.373 0.315 18167 1186 1 2 . 1 1 41 41 SER C C 59 171.885 171.885 173.239 -1.354 18167 1187 1 2 . 1 1 41 41 SER CA C 59 56.951 56.951 57.393 -0.442 18167 1188 1 2 . 1 1 41 41 SER CB C 59 63.123 63.123 62.592 0.531 18167 1189 1 2 . 1 1 41 41 SER H H 59 8.186 8.186 8.239 -0.053 18167 1190 1 2 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.210 0.139 18167 1191 1 2 . 1 1 42 42 PRO C C 60 177.660 177.660 177.348 0.312 18167 1192 1 2 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.450 -0.225 18167 1193 1 2 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.729 -0.188 18167 1194 1 2 . 1 1 43 43 GLY N N 61 111.997 111.997 110.869 1.128 18167 1195 1 2 . 1 1 43 43 GLY C C 61 174.070 174.070 174.088 -0.018 18167 1196 1 2 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.918 0.696 18167 1197 1 2 . 1 1 43 43 GLY H H 61 8.730 8.730 8.556 0.174 18167 1198 1 2 . 1 1 44 44 VAL N N 62 120.539 120.539 123.014 -2.475 18167 1199 1 2 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.741 0.536 18167 1200 1 2 . 1 1 44 44 VAL C C 62 175.277 175.277 174.855 0.422 18167 1201 1 2 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.567 -1.640 18167 1202 1 2 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.026 0.529 18167 1203 1 2 . 1 1 44 44 VAL H H 62 7.573 7.573 7.847 -0.274 18167 1204 1 2 . 1 1 45 45 ASP N N 63 128.619 128.619 127.785 0.834 18167 1205 1 2 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.822 0.085 18167 1206 1 2 . 1 1 45 45 ASP C C 63 176.177 176.177 175.458 0.719 18167 1207 1 2 . 1 1 45 45 ASP CA C 63 55.855 55.855 56.089 -0.234 18167 1208 1 2 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.264 1.012 18167 1209 1 2 . 1 1 45 45 ASP H H 63 9.084 9.084 8.161 0.923 18167 1210 1 2 . 1 1 46 46 VAL N N 64 115.687 115.687 118.205 -2.518 18167 1211 1 2 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.292 0.018 18167 1212 1 2 . 1 1 46 46 VAL C C 64 172.853 172.853 173.904 -1.051 18167 1213 1 2 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.871 0.300 18167 1214 1 2 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.314 0.594 18167 1215 1 2 . 1 1 46 46 VAL H H 64 7.314 7.314 7.489 -0.175 18167 1216 1 2 . 1 1 47 47 VAL N N 65 124.933 124.933 123.747 1.186 18167 1217 1 2 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.303 0.753 18167 1218 1 2 . 1 1 47 47 VAL C C 65 175.266 175.266 173.845 1.421 18167 1219 1 2 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.106 -0.024 18167 1220 1 2 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.232 2.435 18167 1221 1 2 . 1 1 47 47 VAL H H 65 8.146 8.146 7.988 0.158 18167 1222 1 2 . 1 1 48 48 PHE N N 66 122.916 122.916 126.480 -3.564 18167 1223 1 2 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.118 0.373 18167 1224 1 2 . 1 1 48 48 PHE C C 66 174.371 174.371 174.642 -0.271 18167 1225 1 2 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.682 -0.153 18167 1226 1 2 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.019 2.140 18167 1227 1 2 . 1 1 48 48 PHE H H 66 8.469 8.469 9.230 -0.761 18167 1228 1 2 . 1 1 49 49 ARG N N 67 116.381 116.381 120.987 -4.606 18167 1229 1 2 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.517 -0.012 18167 1230 1 2 . 1 1 49 49 ARG C C 67 173.455 173.455 174.110 -0.655 18167 1231 1 2 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.510 -0.676 18167 1232 1 2 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.044 0.854 18167 1233 1 2 . 1 1 49 49 ARG H H 67 9.271 9.271 8.464 0.807 18167 1234 1 2 . 1 1 50 50 ASP N N 68 121.066 121.066 122.910 -1.844 18167 1235 1 2 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.223 -0.172 18167 1236 1 2 . 1 1 50 50 ASP C C 68 176.670 176.670 175.899 0.771 18167 1237 1 2 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.139 1.477 18167 1238 1 2 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.469 1.432 18167 1239 1 2 . 1 1 50 50 ASP H H 68 7.165 7.165 8.021 -0.856 18167 1240 1 2 . 1 1 51 51 LEU N N 69 124.078 124.078 125.831 -1.753 18167 1241 1 2 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.080 -0.055 18167 1242 1 2 . 1 1 51 51 LEU C C 69 177.463 177.463 177.452 0.011 18167 1243 1 2 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.160 0.248 18167 1244 1 2 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.261 0.888 18167 1245 1 2 . 1 1 51 51 LEU H H 69 8.314 8.314 8.545 -0.231 18167 1246 1 2 . 1 1 52 52 ILE N N 70 118.341 118.341 116.624 1.717 18167 1247 1 2 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.926 0.147 18167 1248 1 2 . 1 1 52 52 ILE C C 70 177.093 177.093 175.966 1.127 18167 1249 1 2 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.294 -1.436 18167 1250 1 2 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.209 0.411 18167 1251 1 2 . 1 1 52 52 ILE H H 70 8.178 8.178 7.839 0.339 18167 1252 1 2 . 1 1 53 53 GLU N N 71 122.254 122.254 117.051 5.203 18167 1253 1 2 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.511 -0.127 18167 1254 1 2 . 1 1 53 53 GLU C C 71 176.084 176.084 175.348 0.736 18167 1255 1 2 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.077 -0.269 18167 1256 1 2 . 1 1 53 53 GLU CB C 71 28.758 28.758 31.174 -2.416 18167 1257 1 2 . 1 1 53 53 GLU H H 71 8.974 8.974 7.941 1.033 18167 1258 1 2 . 1 1 54 54 ARG N N 72 121.414 121.414 123.561 -2.147 18167 1259 1 2 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.075 -0.093 18167 1260 1 2 . 1 1 54 54 ARG C C 72 176.478 176.478 176.840 -0.362 18167 1261 1 2 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.468 -0.228 18167 1262 1 2 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.436 -0.472 18167 1263 1 2 . 1 1 54 54 ARG H H 72 8.052 8.052 8.469 -0.417 18167 1264 1 2 . 1 1 55 55 ASP N N 73 117.425 117.425 119.570 -2.145 18167 1265 1 2 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.492 -0.041 18167 1266 1 2 . 1 1 55 55 ASP C C 73 173.783 173.783 176.305 -2.522 18167 1267 1 2 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.027 -0.953 18167 1268 1 2 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.278 0.464 18167 1269 1 2 . 1 1 55 55 ASP H H 73 8.455 8.455 8.441 0.014 18167 1270 1 2 . 1 1 56 56 GLU N N 74 124.050 124.050 119.571 4.479 18167 1271 1 2 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.729 0.770 18167 1272 1 2 . 1 1 56 56 GLU C C 74 174.110 174.110 175.002 -0.892 18167 1273 1 2 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.261 0.217 18167 1274 1 2 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.860 1.586 18167 1275 1 2 . 1 1 56 56 GLU H H 74 7.773 7.773 8.075 -0.302 18167 1276 1 2 . 1 1 57 57 ASN N N 75 119.794 119.794 122.457 -2.663 18167 1277 1 2 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.811 -0.048 18167 1278 1 2 . 1 1 57 57 ASN C C 75 171.893 171.893 172.977 -1.084 18167 1279 1 2 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.841 0.122 18167 1280 1 2 . 1 1 57 57 ASN CB C 75 42.369 42.369 41.545 0.824 18167 1281 1 2 . 1 1 57 57 ASN H H 75 8.891 8.891 8.613 0.278 18167 1282 1 2 . 1 1 58 58 LEU N N 76 116.438 116.438 122.984 -6.546 18167 1283 1 2 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.035 0.306 18167 1284 1 2 . 1 1 58 58 LEU C C 76 174.630 174.630 174.404 0.226 18167 1285 1 2 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.543 -0.715 18167 1286 1 2 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.718 0.161 18167 1287 1 2 . 1 1 58 58 LEU H H 76 9.166 9.166 8.637 0.529 18167 1288 1 2 . 1 1 59 59 SER N N 77 114.543 114.543 119.199 -4.656 18167 1289 1 2 . 1 1 59 59 SER HA H 77 5.432 5.432 4.778 0.654 18167 1290 1 2 . 1 1 59 59 SER C C 77 172.602 172.602 172.555 0.047 18167 1291 1 2 . 1 1 59 59 SER CA C 77 56.593 56.593 56.821 -0.228 18167 1292 1 2 . 1 1 59 59 SER CB C 77 66.720 66.720 65.090 1.630 18167 1293 1 2 . 1 1 59 59 SER H H 77 8.352 8.352 8.666 -0.314 18167 1294 1 2 . 1 1 60 60 VAL N N 78 122.017 122.017 125.408 -3.391 18167 1295 1 2 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.406 0.563 18167 1296 1 2 . 1 1 60 60 VAL C C 78 174.861 174.861 174.493 0.368 18167 1297 1 2 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.485 0.699 18167 1298 1 2 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.505 -0.194 18167 1299 1 2 . 1 1 60 60 VAL H H 78 8.306 8.306 8.566 -0.260 18167 1300 1 2 . 1 1 61 61 ILE N N 79 128.458 128.458 128.085 0.373 18167 1301 1 2 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.592 0.129 18167 1302 1 2 . 1 1 61 61 ILE C C 79 175.639 175.639 174.464 1.175 18167 1303 1 2 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.601 -0.357 18167 1304 1 2 . 1 1 61 61 ILE CB C 79 41.286 41.286 39.785 1.501 18167 1305 1 2 . 1 1 61 61 ILE H H 79 9.193 9.193 7.879 1.314 18167 1306 1 2 . 1 1 62 62 ILE N N 80 129.957 129.957 127.786 2.171 18167 1307 1 2 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.035 0.007 18167 1308 1 2 . 1 1 62 62 ILE C C 80 175.727 175.727 175.187 0.540 18167 1309 1 2 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.978 0.180 18167 1310 1 2 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.332 -0.555 18167 1311 1 2 . 1 1 62 62 ILE H H 80 9.140 9.140 8.901 0.239 18167 1312 1 2 . 1 1 63 63 SER N N 81 122.084 122.084 121.470 0.614 18167 1313 1 2 . 1 1 63 63 SER HA H 81 4.878 4.878 4.771 0.107 18167 1314 1 2 . 1 1 63 63 SER C C 81 172.933 172.933 172.235 0.698 18167 1315 1 2 . 1 1 63 63 SER CA C 81 56.689 56.689 57.504 -0.815 18167 1316 1 2 . 1 1 63 63 SER CB C 81 65.862 65.862 66.931 -1.069 18167 1317 1 2 . 1 1 63 63 SER H H 81 9.079 9.079 9.116 -0.037 18167 1318 1 2 . 1 1 64 64 GLU N N 82 121.983 121.983 121.245 0.738 18167 1319 1 2 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.684 -0.092 18167 1320 1 2 . 1 1 64 64 GLU C C 82 176.501 176.501 176.451 0.050 18167 1321 1 2 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.234 1.607 18167 1322 1 2 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.846 -0.336 18167 1323 1 2 . 1 1 64 64 GLU H H 82 8.664 8.664 8.464 0.200 18167 1324 1 2 . 1 1 65 65 ILE N N 83 121.194 121.194 120.485 0.709 18167 1325 1 2 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.585 -0.008 18167 1326 1 2 . 1 1 65 65 ILE C C 83 173.233 173.233 174.404 -1.171 18167 1327 1 2 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.204 0.594 18167 1328 1 2 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.912 1.576 18167 1329 1 2 . 1 1 65 65 ILE H H 83 8.271 8.271 8.048 0.223 18167 1330 1 2 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.490 -0.039 18167 1331 1 2 . 1 1 66 66 PRO C C 84 177.697 177.697 176.286 1.411 18167 1332 1 2 . 1 1 66 66 PRO CA C 84 63.197 63.197 63.369 -0.172 18167 1333 1 2 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.614 -0.549 18167 1334 1 2 . 1 1 67 67 SER N N 85 116.018 116.018 115.967 0.051 18167 1335 1 2 . 1 1 67 67 SER HA H 85 4.149 4.149 4.237 -0.088 18167 1336 1 2 . 1 1 67 67 SER C C 85 174.387 174.387 175.052 -0.665 18167 1337 1 2 . 1 1 67 67 SER CA C 85 60.348 60.348 60.192 0.156 18167 1338 1 2 . 1 1 67 67 SER CB C 85 63.402 63.402 63.363 0.039 18167 1339 1 2 . 1 1 67 67 SER H H 85 8.465 8.465 8.438 0.027 18167 1340 1 2 . 1 1 68 68 ASP N N 86 118.568 118.568 116.858 1.710 18167 1341 1 2 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.663 -0.105 18167 1342 1 2 . 1 1 68 68 ASP C C 86 175.732 175.732 175.941 -0.209 18167 1343 1 2 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.321 -0.511 18167 1344 1 2 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.755 -0.537 18167 1345 1 2 . 1 1 68 68 ASP H H 86 8.531 8.531 8.349 0.182 18167 1346 1 2 . 1 1 69 69 LYS N N 87 119.225 119.225 119.131 0.094 18167 1347 1 2 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.581 0.101 18167 1348 1 2 . 1 1 69 69 LYS C C 87 175.814 175.814 175.662 0.152 18167 1349 1 2 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.235 -0.374 18167 1350 1 2 . 1 1 69 69 LYS CB C 87 33.706 33.706 36.016 -2.310 18167 1351 1 2 . 1 1 69 69 LYS H H 87 7.653 7.653 7.169 0.484 18167 1352 1 2 . 1 1 70 70 THR N N 88 113.175 113.175 111.226 1.949 18167 1353 1 2 . 1 1 70 70 THR HA H 88 4.529 4.529 4.527 0.002 18167 1354 1 2 . 1 1 70 70 THR C C 88 175.278 175.278 175.276 0.002 18167 1355 1 2 . 1 1 70 70 THR CA C 88 60.699 60.699 59.533 1.166 18167 1356 1 2 . 1 1 70 70 THR CB C 88 70.710 70.710 71.886 -1.176 18167 1357 1 2 . 1 1 70 70 THR H H 88 8.608 8.608 8.209 0.399 18167 1358 1 2 . 1 1 71 71 LEU N N 89 121.978 121.978 121.681 0.297 18167 1359 1 2 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.986 -0.049 18167 1360 1 2 . 1 1 71 71 LEU C C 89 177.698 177.698 177.963 -0.265 18167 1361 1 2 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.372 -0.608 18167 1362 1 2 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.838 0.657 18167 1363 1 2 . 1 1 71 71 LEU H H 89 7.998 7.998 8.841 -0.843 18167 1364 1 2 . 1 1 72 72 THR N N 90 106.680 106.680 108.756 -2.076 18167 1365 1 2 . 1 1 72 72 THR HA H 90 4.221 4.221 4.052 0.169 18167 1366 1 2 . 1 1 72 72 THR C C 90 176.248 176.248 175.759 0.489 18167 1367 1 2 . 1 1 72 72 THR CA C 90 63.648 63.648 64.715 -1.067 18167 1368 1 2 . 1 1 72 72 THR CB C 90 68.620 68.620 68.702 -0.082 18167 1369 1 2 . 1 1 72 72 THR H H 90 7.798 7.798 7.279 0.519 18167 1370 1 2 . 1 1 73 73 ASP N N 91 120.626 120.626 121.105 -0.479 18167 1371 1 2 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.505 0.105 18167 1372 1 2 . 1 1 73 73 ASP C C 91 177.133 177.133 178.577 -1.444 18167 1373 1 2 . 1 1 73 73 ASP CA C 91 55.601 55.601 56.157 -0.556 18167 1374 1 2 . 1 1 73 73 ASP CB C 91 41.673 41.673 41.320 0.353 18167 1375 1 2 . 1 1 73 73 ASP H H 91 7.805 7.805 7.835 -0.030 18167 1376 1 2 . 1 1 74 74 LEU N N 92 120.238 120.238 119.507 0.731 18167 1377 1 2 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.064 0.157 18167 1378 1 2 . 1 1 74 74 LEU C C 92 176.907 176.907 176.551 0.356 18167 1379 1 2 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.529 -0.886 18167 1380 1 2 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.785 -1.461 18167 1381 1 2 . 1 1 74 74 LEU H H 92 8.182 8.182 8.138 0.044 18167 1382 1 2 . 1 1 75 75 GLY N N 93 105.772 105.772 100.868 4.904 18167 1383 1 2 . 1 1 75 75 GLY C C 93 173.853 173.853 172.063 1.790 18167 1384 1 2 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.673 -0.645 18167 1385 1 2 . 1 1 75 75 GLY H H 93 7.713 7.713 7.332 0.381 18167 1386 1 2 . 1 1 76 76 THR N N 94 111.354 111.354 109.893 1.461 18167 1387 1 2 . 1 1 76 76 THR HA H 94 4.426 4.426 4.741 -0.315 18167 1388 1 2 . 1 1 76 76 THR C C 94 174.396 174.396 176.114 -1.718 18167 1389 1 2 . 1 1 76 76 THR CA C 94 61.220 61.220 60.574 0.646 18167 1390 1 2 . 1 1 76 76 THR CB C 94 71.400 71.400 71.876 -0.476 18167 1391 1 2 . 1 1 76 76 THR H H 94 8.842 8.842 8.183 0.659 18167 1392 1 2 . 1 1 77 77 ALA N N 95 122.586 122.586 123.776 -1.190 18167 1393 1 2 . 1 1 77 77 ALA HA H 95 3.326 3.326 4.023 -0.697 18167 1394 1 2 . 1 1 77 77 ALA C C 95 179.120 179.120 179.596 -0.476 18167 1395 1 2 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.752 -0.128 18167 1396 1 2 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.806 -0.827 18167 1397 1 2 . 1 1 77 77 ALA H H 95 8.861 8.861 8.911 -0.050 18167 1398 1 2 . 1 1 78 78 THR N N 96 110.298 110.298 114.547 -4.249 18167 1399 1 2 . 1 1 78 78 THR HA H 96 3.479 3.479 3.978 -0.499 18167 1400 1 2 . 1 1 78 78 THR C C 96 175.297 175.297 176.662 -1.365 18167 1401 1 2 . 1 1 78 78 THR CA C 96 66.314 66.314 66.763 -0.448 18167 1402 1 2 . 1 1 78 78 THR CB C 96 68.335 68.335 68.458 -0.123 18167 1403 1 2 . 1 1 78 78 THR H H 96 7.757 7.757 7.668 0.089 18167 1404 1 2 . 1 1 79 79 ASP N N 97 122.829 122.829 122.062 0.767 18167 1405 1 2 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.606 -0.194 18167 1406 1 2 . 1 1 79 79 ASP C C 97 179.693 179.693 178.635 1.058 18167 1407 1 2 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.388 0.606 18167 1408 1 2 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.783 -0.252 18167 1409 1 2 . 1 1 79 79 ASP H H 97 7.448 7.448 8.118 -0.670 18167 1410 1 2 . 1 1 80 80 VAL N N 98 121.175 121.175 119.412 1.763 18167 1411 1 2 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.803 -0.321 18167 1412 1 2 . 1 1 80 80 VAL C C 98 178.667 178.667 178.036 0.631 18167 1413 1 2 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.609 -0.052 18167 1414 1 2 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.601 -0.093 18167 1415 1 2 . 1 1 80 80 VAL H H 98 8.390 8.390 8.709 -0.319 18167 1416 1 2 . 1 1 81 81 GLY N N 99 108.920 108.920 108.340 0.580 18167 1417 1 2 . 1 1 81 81 GLY C C 99 175.133 175.133 176.129 -0.996 18167 1418 1 2 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.476 1.574 18167 1419 1 2 . 1 1 81 81 GLY H H 99 8.630 8.630 7.982 0.648 18167 1420 1 2 . 1 1 82 82 TYR N N 100 121.598 121.598 122.053 -0.455 18167 1421 1 2 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.274 0.054 18167 1422 1 2 . 1 1 82 82 TYR C C 100 179.383 179.383 178.474 0.909 18167 1423 1 2 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.528 0.211 18167 1424 1 2 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.162 -1.063 18167 1425 1 2 . 1 1 82 82 TYR H H 100 8.880 8.880 8.079 0.801 18167 1426 1 2 . 1 1 83 83 ARG N N 101 121.436 121.436 119.436 2.000 18167 1427 1 2 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.001 0.086 18167 1428 1 2 . 1 1 83 83 ARG C C 101 178.906 178.906 178.867 0.039 18167 1429 1 2 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.745 -0.198 18167 1430 1 2 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.045 -0.422 18167 1431 1 2 . 1 1 83 83 ARG H H 101 8.102 8.102 7.955 0.147 18167 1432 1 2 . 1 1 84 84 PHE N N 102 121.581 121.581 122.582 -1.001 18167 1433 1 2 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.226 0.161 18167 1434 1 2 . 1 1 84 84 PHE C C 102 177.731 177.731 176.818 0.913 18167 1435 1 2 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.338 -1.332 18167 1436 1 2 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.048 -0.807 18167 1437 1 2 . 1 1 84 84 PHE H H 102 8.511 8.511 8.704 -0.193 18167 1438 1 2 . 1 1 85 85 MET N N 103 117.909 117.909 118.031 -0.122 18167 1439 1 2 . 1 1 85 85 MET HA H 103 3.850 3.850 3.792 0.058 18167 1440 1 2 . 1 1 85 85 MET C C 103 178.063 178.063 178.330 -0.267 18167 1441 1 2 . 1 1 85 85 MET CA C 103 57.352 57.352 57.642 -0.290 18167 1442 1 2 . 1 1 85 85 MET CB C 103 33.654 33.654 31.116 2.538 18167 1443 1 2 . 1 1 85 85 MET H H 103 8.350 8.350 7.935 0.415 18167 1444 1 2 . 1 1 86 86 LYS N N 104 118.874 118.874 120.298 -1.424 18167 1445 1 2 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.941 0.063 18167 1446 1 2 . 1 1 86 86 LYS C C 104 177.910 177.910 178.833 -0.923 18167 1447 1 2 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.825 -0.377 18167 1448 1 2 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.418 -0.733 18167 1449 1 2 . 1 1 86 86 LYS H H 104 7.578 7.578 7.779 -0.201 18167 1450 1 2 . 1 1 87 87 THR N N 105 114.567 114.567 116.464 -1.897 18167 1451 1 2 . 1 1 87 87 THR HA H 105 3.949 3.949 3.906 0.043 18167 1452 1 2 . 1 1 87 87 THR C C 105 176.912 176.912 176.559 0.353 18167 1453 1 2 . 1 1 87 87 THR CA C 105 66.108 66.108 66.841 -0.733 18167 1454 1 2 . 1 1 87 87 THR CB C 105 68.909 68.909 68.686 0.223 18167 1455 1 2 . 1 1 87 87 THR H H 105 7.667 7.667 7.883 -0.216 18167 1456 1 2 . 1 1 88 88 VAL N N 106 122.160 122.160 120.083 2.077 18167 1457 1 2 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.414 0.077 18167 1458 1 2 . 1 1 88 88 VAL C C 106 178.950 178.950 178.055 0.895 18167 1459 1 2 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.779 0.045 18167 1460 1 2 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.138 0.371 18167 1461 1 2 . 1 1 88 88 VAL H H 106 7.600 7.600 7.952 -0.352 18167 1462 1 2 . 1 1 89 89 ASN N N 107 120.741 120.741 118.623 2.118 18167 1463 1 2 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.338 0.152 18167 1464 1 2 . 1 1 89 89 ASN C C 107 178.483 178.483 176.860 1.623 18167 1465 1 2 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.566 0.376 18167 1466 1 2 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.726 0.164 18167 1467 1 2 . 1 1 89 89 ASN H H 107 8.501 8.501 8.297 0.204 18167 1468 1 2 . 1 1 90 90 ASP N N 108 121.211 121.211 119.710 1.501 18167 1469 1 2 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.470 0.010 18167 1470 1 2 . 1 1 90 90 ASP C C 108 177.598 177.598 177.168 0.430 18167 1471 1 2 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.831 -0.464 18167 1472 1 2 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.665 -0.423 18167 1473 1 2 . 1 1 90 90 ASP H H 108 8.824 8.824 8.336 0.488 18167 1474 1 2 . 1 1 91 91 ALA N N 109 121.181 121.181 120.481 0.700 18167 1475 1 2 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.119 0.273 18167 1476 1 2 . 1 1 91 91 ALA C C 109 177.936 177.936 178.042 -0.106 18167 1477 1 2 . 1 1 91 91 ALA CA C 109 52.692 52.692 54.035 -1.343 18167 1478 1 2 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.177 -0.288 18167 1479 1 2 . 1 1 91 91 ALA H H 109 7.507 7.507 7.440 0.067 18167 1480 1 2 . 1 1 92 92 SER N N 110 113.785 113.785 112.991 0.794 18167 1481 1 2 . 1 1 92 92 SER HA H 110 4.537 4.537 4.659 -0.122 18167 1482 1 2 . 1 1 92 92 SER C C 110 174.252 174.252 175.215 -0.963 18167 1483 1 2 . 1 1 92 92 SER CA C 110 58.565 58.565 57.911 0.654 18167 1484 1 2 . 1 1 92 92 SER CB C 110 64.795 64.795 64.060 0.735 18167 1485 1 2 . 1 1 92 92 SER H H 110 7.611 7.611 7.546 0.065 18167 1486 1 2 . 1 1 93 93 GLN N N 111 119.994 119.994 121.385 -1.391 18167 1487 1 2 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.131 0.292 18167 1488 1 2 . 1 1 93 93 GLN C C 111 176.441 176.441 177.173 -0.732 18167 1489 1 2 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.069 -2.277 18167 1490 1 2 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.272 0.571 18167 1491 1 2 . 1 1 93 93 GLN H H 111 8.414 8.414 8.306 0.108 18167 1492 1 2 . 1 1 94 94 GLY N N 112 107.948 107.948 109.055 -1.107 18167 1493 1 2 . 1 1 94 94 GLY C C 112 174.406 174.406 174.828 -0.422 18167 1494 1 2 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.558 -0.616 18167 1495 1 2 . 1 1 94 94 GLY H H 112 8.467 8.467 8.418 0.049 18167 1496 1 2 . 1 1 95 95 ASP N N 113 119.500 119.500 119.299 0.201 18167 1497 1 2 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.618 -0.062 18167 1498 1 2 . 1 1 95 95 ASP C C 113 175.438 175.438 175.938 -0.500 18167 1499 1 2 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.519 0.161 18167 1500 1 2 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.690 -1.496 18167 1501 1 2 . 1 1 95 95 ASP H H 113 8.423 8.423 7.872 0.551 18167 1502 1 2 . 1 1 96 96 ARG N N 114 118.992 118.992 121.872 -2.880 18167 1503 1 2 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.616 0.445 18167 1504 1 2 . 1 1 96 96 ARG C C 114 175.699 175.699 174.319 1.380 18167 1505 1 2 . 1 1 96 96 ARG CA C 114 55.043 55.043 55.997 -0.954 18167 1506 1 2 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.223 1.417 18167 1507 1 2 . 1 1 96 96 ARG H H 114 7.507 7.507 7.600 -0.093 18167 1508 1 2 . 1 1 97 97 GLN N N 115 121.149 121.149 124.314 -3.165 18167 1509 1 2 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.659 0.011 18167 1510 1 2 . 1 1 97 97 GLN C C 115 173.696 173.696 173.844 -0.148 18167 1511 1 2 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.238 0.319 18167 1512 1 2 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.628 -1.555 18167 1513 1 2 . 1 1 97 97 GLN H H 115 8.814 8.814 8.276 0.538 18167 1514 1 2 . 1 1 98 98 ALA N N 116 129.789 129.789 125.023 4.766 18167 1515 1 2 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.252 0.064 18167 1516 1 2 . 1 1 98 98 ALA C C 116 176.503 176.503 176.392 0.111 18167 1517 1 2 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.306 0.508 18167 1518 1 2 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.695 0.347 18167 1519 1 2 . 1 1 98 98 ALA H H 116 9.836 9.836 8.424 1.412 18167 1520 1 2 . 1 1 99 99 GLU N N 117 122.780 122.780 123.146 -0.366 18167 1521 1 2 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.631 -0.028 18167 1522 1 2 . 1 1 99 99 GLU C C 117 174.361 174.361 174.947 -0.586 18167 1523 1 2 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.590 -0.271 18167 1524 1 2 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.005 0.307 18167 1525 1 2 . 1 1 99 99 GLU H H 117 9.252 9.252 8.504 0.748 18167 1526 1 2 . 1 1 100 100 LEU N N 118 127.043 127.043 128.430 -1.387 18167 1527 1 2 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.407 -0.100 18167 1528 1 2 . 1 1 100 100 LEU C C 118 176.338 176.338 176.405 -0.067 18167 1529 1 2 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.059 0.463 18167 1530 1 2 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.108 0.533 18167 1531 1 2 . 1 1 100 100 LEU H H 118 8.765 8.765 8.723 0.042 18167 1532 1 2 . 1 1 101 101 ILE N N 119 128.101 128.101 128.104 -0.003 18167 1533 1 2 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.909 0.187 18167 1534 1 2 . 1 1 101 101 ILE C C 119 175.634 175.634 176.681 -1.047 18167 1535 1 2 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.282 -0.879 18167 1536 1 2 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.714 0.344 18167 1537 1 2 . 1 1 101 101 ILE H H 119 9.244 9.244 8.697 0.547 18167 1538 1 2 . 1 1 102 102 ASN N N 120 114.715 114.715 114.633 0.082 18167 1539 1 2 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.932 0.023 18167 1540 1 2 . 1 1 102 102 ASN C C 120 172.326 172.326 173.057 -0.731 18167 1541 1 2 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.575 0.798 18167 1542 1 2 . 1 1 102 102 ASN CB C 120 42.887 42.887 42.850 0.037 18167 1543 1 2 . 1 1 102 102 ASN H H 120 7.989 7.989 7.972 0.017 18167 1544 1 2 . 1 1 103 103 ALA N N 121 125.011 125.011 123.567 1.444 18167 1545 1 2 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.276 0.181 18167 1546 1 2 . 1 1 103 103 ALA C C 121 175.068 175.068 175.716 -0.648 18167 1547 1 2 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.745 -0.386 18167 1548 1 2 . 1 1 103 103 ALA CB C 121 22.409 22.409 20.957 1.452 18167 1549 1 2 . 1 1 103 103 ALA H H 121 8.182 8.182 8.593 -0.411 18167 1550 1 2 . 1 1 104 104 GLU N N 122 121.148 121.148 120.777 0.371 18167 1551 1 2 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.527 0.168 18167 1552 1 2 . 1 1 104 104 GLU C C 122 173.666 173.666 174.109 -0.443 18167 1553 1 2 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.661 0.432 18167 1554 1 2 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.627 -0.117 18167 1555 1 2 . 1 1 104 104 GLU H H 122 8.817 8.817 8.503 0.314 18167 1556 1 2 . 1 1 105 105 ALA N N 123 124.441 124.441 122.922 1.519 18167 1557 1 2 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.435 0.092 18167 1558 1 2 . 1 1 105 105 ALA C C 123 176.479 176.479 176.546 -0.067 18167 1559 1 2 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.770 0.361 18167 1560 1 2 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.762 1.089 18167 1561 1 2 . 1 1 105 105 ALA H H 123 8.860 8.860 8.357 0.503 18167 1562 1 2 . 1 1 106 106 ARG N N 124 120.892 120.892 120.927 -0.035 18167 1563 1 2 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.764 0.059 18167 1564 1 2 . 1 1 106 106 ARG C C 124 172.820 172.820 174.609 -1.789 18167 1565 1 2 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.696 0.076 18167 1566 1 2 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.866 -0.596 18167 1567 1 2 . 1 1 106 106 ARG H H 124 9.209 9.209 8.931 0.278 18167 1568 1 2 . 1 1 107 107 ASP N N 125 122.706 122.706 123.150 -0.444 18167 1569 1 2 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.681 -0.442 18167 1570 1 2 . 1 1 107 107 ASP C C 125 176.097 176.097 175.687 0.410 18167 1571 1 2 . 1 1 107 107 ASP CA C 125 52.944 52.944 52.529 0.416 18167 1572 1 2 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.340 1.798 18167 1573 1 2 . 1 1 107 107 ASP H H 125 8.633 8.633 8.651 -0.018 18167 1574 1 2 . 1 1 108 108 GLU N N 126 126.120 126.120 123.560 2.560 18167 1575 1 2 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.621 0.084 18167 1576 1 2 . 1 1 108 108 GLU C C 126 175.768 175.768 176.222 -0.454 18167 1577 1 2 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.481 -0.464 18167 1578 1 2 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.754 -3.329 18167 1579 1 2 . 1 1 108 108 GLU H H 126 9.152 9.152 9.182 -0.030 18167 1580 1 2 . 1 1 109 109 ASP N N 127 126.277 126.277 122.359 3.918 18167 1581 1 2 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.394 -0.040 18167 1582 1 2 . 1 1 109 109 ASP C C 127 175.414 175.414 176.481 -1.067 18167 1583 1 2 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.118 0.272 18167 1584 1 2 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.341 0.901 18167 1585 1 2 . 1 1 109 109 ASP H H 127 9.067 9.067 9.176 -0.109 18167 1586 1 2 . 1 1 110 110 GLY N N 128 106.859 106.859 103.030 3.829 18167 1587 1 2 . 1 1 110 110 GLY C C 128 173.761 173.761 174.092 -0.331 18167 1588 1 2 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.320 -0.078 18167 1589 1 2 . 1 1 110 110 GLY H H 128 9.008 9.008 8.345 0.663 18167 1590 1 2 . 1 1 111 111 GLN N N 129 123.033 123.033 119.891 3.142 18167 1591 1 2 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.585 -0.202 18167 1592 1 2 . 1 1 111 111 GLN C C 129 173.901 173.901 174.471 -0.570 18167 1593 1 2 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.340 -0.404 18167 1594 1 2 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.309 -2.126 18167 1595 1 2 . 1 1 111 111 GLN H H 129 7.825 7.825 8.291 -0.466 18167 1596 1 2 . 1 1 112 112 VAL N N 130 128.263 128.263 121.232 7.031 18167 1597 1 2 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.975 -0.103 18167 1598 1 2 . 1 1 112 112 VAL C C 130 175.591 175.591 174.702 0.889 18167 1599 1 2 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.071 1.032 18167 1600 1 2 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.873 -1.500 18167 1601 1 2 . 1 1 112 112 VAL H H 130 8.330 8.330 8.220 0.110 18167 1602 1 2 . 1 1 113 113 TYR N N 131 126.702 126.702 124.482 2.220 18167 1603 1 2 . 1 1 113 113 TYR HA H 131 5.050 5.050 5.038 0.012 18167 1604 1 2 . 1 1 113 113 TYR C C 131 175.477 175.477 175.036 0.441 18167 1605 1 2 . 1 1 113 113 TYR CA C 131 56.423 56.423 55.899 0.524 18167 1606 1 2 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.546 0.943 18167 1607 1 2 . 1 1 113 113 TYR H H 131 9.136 9.136 9.319 -0.183 18167 1608 1 2 . 1 1 114 114 TYR N N 132 121.626 121.626 124.001 -2.375 18167 1609 1 2 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.112 0.718 18167 1610 1 2 . 1 1 114 114 TYR C C 132 175.368 175.368 175.865 -0.497 18167 1611 1 2 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.912 -1.844 18167 1612 1 2 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.171 0.146 18167 1613 1 2 . 1 1 114 114 TYR H H 132 9.577 9.577 9.505 0.072 18167 1614 1 2 . 1 1 115 115 THR N N 133 120.018 120.018 121.518 -1.500 18167 1615 1 2 . 1 1 115 115 THR HA H 133 5.486 5.486 4.482 1.004 18167 1616 1 2 . 1 1 115 115 THR C C 133 174.327 174.327 172.843 1.484 18167 1617 1 2 . 1 1 115 115 THR CA C 133 61.648 61.648 62.438 -0.790 18167 1618 1 2 . 1 1 115 115 THR CB C 133 69.622 69.622 69.713 -0.091 18167 1619 1 2 . 1 1 115 115 THR H H 133 9.351 9.351 9.269 0.082 18167 1620 1 2 . 1 1 116 116 LEU N N 134 127.249 127.249 129.092 -1.843 18167 1621 1 2 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.961 0.334 18167 1622 1 2 . 1 1 116 116 LEU C C 134 174.347 174.347 173.998 0.349 18167 1623 1 2 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.414 -1.786 18167 1624 1 2 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.871 -1.336 18167 1625 1 2 . 1 1 116 116 LEU H H 134 10.010 10.010 9.119 0.891 18167 1626 1 2 . 1 1 117 117 GLU N N 135 124.969 124.969 127.196 -2.227 18167 1627 1 2 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.760 0.818 18167 1628 1 2 . 1 1 117 117 GLU C C 135 175.635 175.635 174.901 0.734 18167 1629 1 2 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.876 -0.737 18167 1630 1 2 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.598 -0.435 18167 1631 1 2 . 1 1 117 117 GLU H H 135 9.109 9.109 8.801 0.308 18167 1632 1 2 . 1 1 118 118 TYR N N 136 125.868 125.868 122.891 2.977 18167 1633 1 2 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.526 -0.251 18167 1634 1 2 . 1 1 118 118 TYR C C 136 170.317 170.317 172.653 -2.336 18167 1635 1 2 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.998 0.013 18167 1636 1 2 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.123 0.392 18167 1637 1 2 . 1 1 118 118 TYR H H 136 8.973 8.973 8.420 0.553 18167 1638 1 2 . 1 1 119 119 ARG N N 137 115.256 115.256 117.555 -2.299 18167 1639 1 2 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.353 0.724 18167 1640 1 2 . 1 1 119 119 ARG C C 137 173.643 173.643 174.271 -0.628 18167 1641 1 2 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.223 -1.100 18167 1642 1 2 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.081 -0.896 18167 1643 1 2 . 1 1 119 119 ARG H H 137 8.920 8.920 8.557 0.363 18167 1644 1 2 . 1 1 120 120 VAL N N 138 119.767 119.767 117.623 2.144 18167 1645 1 2 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.143 -0.357 18167 1646 1 2 . 1 1 120 120 VAL C C 138 174.355 174.355 174.226 0.129 18167 1647 1 2 . 1 1 120 120 VAL CA C 138 61.783 61.783 59.731 2.052 18167 1648 1 2 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.557 0.605 18167 1649 1 2 . 1 1 120 120 VAL H H 138 8.430 8.430 8.336 0.094 18167 1650 1 2 . 1 1 121 121 LEU N N 139 129.915 129.915 123.164 6.751 18167 1651 1 2 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.058 0.027 18167 1652 1 2 . 1 1 121 121 LEU C C 139 176.376 176.376 174.748 1.628 18167 1653 1 2 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.122 0.537 18167 1654 1 2 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.206 -1.083 18167 1655 1 2 . 1 1 121 121 LEU H H 139 9.333 9.333 8.471 0.862 18167 1656 1 2 . 1 1 122 122 VAL N N 140 120.956 120.956 121.722 -0.766 18167 1657 1 2 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.456 -0.081 18167 1658 1 2 . 1 1 122 122 VAL C C 140 177.264 177.264 177.411 -0.147 18167 1659 1 2 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.575 0.893 18167 1660 1 2 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.143 -0.269 18167 1661 1 2 . 1 1 122 122 VAL H H 140 8.655 8.655 7.905 0.750 18167 1662 1 2 . 1 1 123 123 GLY N N 141 119.059 119.059 118.564 0.495 18167 1663 1 2 . 1 1 123 123 GLY C C 141 174.482 174.482 174.239 0.243 18167 1664 1 2 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.481 0.687 18167 1665 1 2 . 1 1 123 123 GLY H H 141 8.940 8.940 8.401 0.539 18167 1666 1 2 . 1 1 124 124 ASP N N 142 124.652 124.652 124.936 -0.284 18167 1667 1 2 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.786 -0.152 18167 1668 1 2 . 1 1 124 124 ASP C C 142 175.588 175.588 175.113 0.475 18167 1669 1 2 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.537 0.853 18167 1670 1 2 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.869 0.395 18167 1671 1 2 . 1 1 124 124 ASP H H 142 8.722 8.722 8.459 0.263 18167 1672 1 2 . 1 1 125 125 ASN N N 143 118.203 118.203 118.395 -0.192 18167 1673 1 2 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.951 -0.024 18167 1674 1 2 . 1 1 125 125 ASN C C 143 174.095 174.095 173.473 0.622 18167 1675 1 2 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.050 0.356 18167 1676 1 2 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.352 -0.289 18167 1677 1 2 . 1 1 125 125 ASN H H 143 8.023 8.023 7.978 0.045 18167 1678 1 2 . 1 1 126 126 VAL N N 144 123.424 123.424 120.817 2.607 18167 1679 1 2 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.072 0.008 18167 1680 1 2 . 1 1 126 126 VAL C C 144 175.767 175.767 175.159 0.608 18167 1681 1 2 . 1 1 126 126 VAL CA C 144 63.309 63.309 61.640 1.669 18167 1682 1 2 . 1 1 126 126 VAL H H 144 8.857 8.857 8.483 0.374 18167 1683 1 2 . 1 1 127 127 GLU N N 145 130.709 130.709 128.916 1.793 18167 1684 1 2 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.242 0.163 18167 1685 1 2 . 1 1 127 127 GLU C C 145 176.522 176.522 176.192 0.330 18167 1686 1 2 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.620 -0.656 18167 1687 1 2 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.905 1.450 18167 1688 1 2 . 1 1 127 127 GLU H H 145 9.487 9.487 8.888 0.599 18167 1689 1 2 . 1 1 128 128 ARG N N 146 113.222 113.222 112.460 0.762 18167 1690 1 2 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.637 0.424 18167 1691 1 2 . 1 1 128 128 ARG C C 146 172.055 172.055 173.689 -1.634 18167 1692 1 2 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.420 -1.039 18167 1693 1 2 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.549 1.442 18167 1694 1 2 . 1 1 128 128 ARG H H 146 7.657 7.657 7.564 0.093 18167 1695 1 2 . 1 1 129 129 HIS N N 147 125.158 125.158 117.354 7.804 18167 1696 1 2 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.539 0.093 18167 1697 1 2 . 1 1 129 129 HIS C C 147 172.407 172.407 173.248 -0.841 18167 1698 1 2 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.775 -1.579 18167 1699 1 2 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.361 0.575 18167 1700 1 2 . 1 1 129 129 HIS H H 147 9.295 9.295 8.449 0.846 18167 1701 1 2 . 1 1 130 130 ASP N N 148 122.383 122.383 121.195 1.188 18167 1702 1 2 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.968 1.159 18167 1703 1 2 . 1 1 130 130 ASP C C 148 174.350 174.350 173.537 0.813 18167 1704 1 2 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.693 -0.746 18167 1705 1 2 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.508 -1.540 18167 1706 1 2 . 1 1 130 130 ASP H H 148 8.879 8.879 8.061 0.818 18167 1707 1 2 . 1 1 131 131 LEU N N 149 121.444 121.444 123.662 -2.218 18167 1708 1 2 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.759 0.530 18167 1709 1 2 . 1 1 131 131 LEU C C 149 174.289 174.289 174.246 0.043 18167 1710 1 2 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.291 0.567 18167 1711 1 2 . 1 1 131 131 LEU CB C 149 47.868 47.868 45.911 1.957 18167 1712 1 2 . 1 1 131 131 LEU H H 149 8.916 8.916 8.365 0.551 18167 1713 1 2 . 1 1 132 132 ALA N N 150 128.498 128.498 129.285 -0.787 18167 1714 1 2 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.591 0.439 18167 1715 1 2 . 1 1 132 132 ALA C C 150 176.044 176.044 175.883 0.161 18167 1716 1 2 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.124 -0.723 18167 1717 1 2 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.403 -0.580 18167 1718 1 2 . 1 1 132 132 ALA H H 150 9.920 9.920 9.361 0.559 18167 1719 1 2 . 1 1 133 133 SER N N 151 116.937 116.937 118.741 -1.804 18167 1720 1 2 . 1 1 133 133 SER HA H 151 5.812 5.812 5.561 0.251 18167 1721 1 2 . 1 1 133 133 SER C C 151 173.367 173.367 173.319 0.048 18167 1722 1 2 . 1 1 133 133 SER CA C 151 56.394 56.394 56.972 -0.578 18167 1723 1 2 . 1 1 133 133 SER CB C 151 65.448 65.448 65.822 -0.374 18167 1724 1 2 . 1 1 133 133 SER H H 151 9.360 9.360 8.837 0.523 18167 1725 1 2 . 1 1 134 134 VAL N N 152 126.011 126.011 125.685 0.326 18167 1726 1 2 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.689 0.720 18167 1727 1 2 . 1 1 134 134 VAL C C 152 175.735 175.735 174.928 0.807 18167 1728 1 2 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.261 -1.098 18167 1729 1 2 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.639 2.281 18167 1730 1 2 . 1 1 134 134 VAL H H 152 9.558 9.558 9.112 0.446 18167 1731 1 2 . 1 1 135 135 THR N N 153 118.998 118.998 123.578 -4.580 18167 1732 1 2 . 1 1 135 135 THR HA H 153 4.723 4.723 4.867 -0.144 18167 1733 1 2 . 1 1 135 135 THR C C 153 171.746 171.746 173.358 -1.612 18167 1734 1 2 . 1 1 135 135 THR CA C 153 61.221 61.221 61.409 -0.188 18167 1735 1 2 . 1 1 135 135 THR CB C 153 69.300 69.300 72.820 -3.520 18167 1736 1 2 . 1 1 135 135 THR H H 153 8.960 8.960 9.187 -0.227 18167 1737 1 2 . 1 1 136 136 THR N N 154 109.883 109.883 116.538 -6.655 18167 1738 1 2 . 1 1 136 136 THR HA H 154 5.636 5.636 5.388 0.248 18167 1739 1 2 . 1 1 136 136 THR C C 154 173.904 173.904 174.077 -0.173 18167 1740 1 2 . 1 1 136 136 THR CA C 154 58.391 58.391 59.565 -1.174 18167 1741 1 2 . 1 1 136 136 THR CB C 154 71.387 71.387 70.537 0.850 18167 1742 1 2 . 1 1 136 136 THR H H 154 7.940 7.940 8.426 -0.486 18167 1743 1 2 . 1 1 137 137 ASN N N 155 115.138 115.138 121.540 -6.402 18167 1744 1 2 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.811 0.095 18167 1745 1 2 . 1 1 137 137 ASN C C 155 174.994 174.994 175.134 -0.140 18167 1746 1 2 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.302 1.043 18167 1747 1 2 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.156 1.651 18167 1748 1 2 . 1 1 137 137 ASN H H 155 8.938 8.938 8.545 0.393 18167 1749 1 2 . 1 1 138 138 ARG N N 156 125.040 125.040 125.510 -0.470 18167 1750 1 2 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.035 -0.078 18167 1751 1 2 . 1 1 138 138 ARG C C 156 175.870 175.870 175.893 -0.023 18167 1752 1 2 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.561 0.563 18167 1753 1 2 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.962 -1.304 18167 1754 1 2 . 1 1 138 138 ARG H H 156 9.364 9.364 8.832 0.532 18167 1755 1 2 . 1 1 139 139 GLY N N 157 104.408 104.408 101.068 3.340 18167 1756 1 2 . 1 1 139 139 GLY C C 157 173.563 173.563 173.662 -0.099 18167 1757 1 2 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.861 0.960 18167 1758 1 2 . 1 1 139 139 GLY H H 157 8.862 8.862 8.197 0.665 18167 1759 1 2 . 1 1 140 140 LYS N N 158 117.999 117.999 121.669 -3.670 18167 1760 1 2 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.578 0.382 18167 1761 1 2 . 1 1 140 140 LYS C C 158 174.527 174.527 175.259 -0.732 18167 1762 1 2 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.092 -1.370 18167 1763 1 2 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.126 1.738 18167 1764 1 2 . 1 1 140 140 LYS H H 158 7.718 7.718 7.491 0.227 18167 1765 1 2 . 1 1 141 141 LEU N N 159 124.332 124.332 127.075 -2.743 18167 1766 1 2 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.446 0.184 18167 1767 1 2 . 1 1 141 141 LEU C C 159 175.337 175.337 175.082 0.255 18167 1768 1 2 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.419 -0.181 18167 1769 1 2 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.095 0.777 18167 1770 1 2 . 1 1 141 141 LEU H H 159 9.006 9.006 9.107 -0.101 18167 1771 1 2 . 1 1 142 142 ILE N N 160 128.619 128.619 127.575 1.044 18167 1772 1 2 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.592 0.137 18167 1773 1 2 . 1 1 142 142 ILE C C 160 173.414 173.414 174.734 -1.320 18167 1774 1 2 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.257 0.976 18167 1775 1 2 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.837 -0.653 18167 1776 1 2 . 1 1 142 142 ILE H H 160 9.129 9.129 9.152 -0.023 18167 1777 1 2 . 1 1 143 143 THR N N 161 122.266 122.266 123.148 -0.882 18167 1778 1 2 . 1 1 143 143 THR HA H 161 4.797 4.797 5.234 -0.437 18167 1779 1 2 . 1 1 143 143 THR C C 161 171.903 171.903 173.264 -1.361 18167 1780 1 2 . 1 1 143 143 THR CA C 161 61.666 61.666 61.377 0.289 18167 1781 1 2 . 1 1 143 143 THR CB C 161 70.025 70.025 70.981 -0.956 18167 1782 1 2 . 1 1 143 143 THR H H 161 8.818 8.818 8.501 0.317 18167 1783 1 2 . 1 1 144 144 PHE N N 162 130.742 130.742 127.148 3.594 18167 1784 1 2 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.660 0.130 18167 1785 1 2 . 1 1 144 144 PHE C C 162 173.404 173.404 173.456 -0.052 18167 1786 1 2 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.907 -1.687 18167 1787 1 2 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.504 -1.764 18167 1788 1 2 . 1 1 144 144 PHE H H 162 9.219 9.219 9.146 0.073 18167 1789 1 2 . 1 1 145 145 ASP N N 163 127.154 127.154 127.710 -0.556 18167 1790 1 2 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.477 -0.521 18167 1791 1 2 . 1 1 145 145 ASP C C 163 174.933 174.933 174.477 0.456 18167 1792 1 2 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.362 1.048 18167 1793 1 2 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.877 -0.553 18167 1794 1 2 . 1 1 145 145 ASP H H 163 8.862 8.862 8.114 0.748 18167 1795 1 2 . 1 1 146 146 LEU N N 164 131.658 131.658 126.574 5.084 18167 1796 1 2 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.759 -0.164 18167 1797 1 2 . 1 1 146 146 LEU C C 164 174.511 174.511 175.907 -1.396 18167 1798 1 2 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.267 -0.296 18167 1799 1 2 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.342 -2.245 18167 1800 1 2 . 1 1 146 146 LEU H H 164 8.938 8.938 9.032 -0.094 18167 1801 1 2 . 1 1 147 147 SER N N 165 114.966 114.966 118.198 -3.232 18167 1802 1 2 . 1 1 147 147 SER HA H 165 5.186 5.186 5.278 -0.092 18167 1803 1 2 . 1 1 147 147 SER C C 165 173.417 173.417 173.336 0.081 18167 1804 1 2 . 1 1 147 147 SER CA C 165 56.600 56.600 58.045 -1.445 18167 1805 1 2 . 1 1 147 147 SER CB C 165 67.205 67.205 66.302 0.903 18167 1806 1 2 . 1 1 147 147 SER H H 165 8.995 8.995 8.638 0.357 18167 1807 1 2 . 1 1 148 148 THR N N 166 118.620 118.620 119.365 -0.745 18167 1808 1 2 . 1 1 148 148 THR HA H 166 5.144 5.144 4.767 0.377 18167 1809 1 2 . 1 1 148 148 THR C C 166 173.151 173.151 172.823 0.328 18167 1810 1 2 . 1 1 148 148 THR CA C 166 60.362 60.362 61.280 -0.918 18167 1811 1 2 . 1 1 148 148 THR CB C 166 69.214 69.214 73.215 -4.001 18167 1812 1 2 . 1 1 148 148 THR H H 166 8.614 8.614 8.018 0.597 18167 1813 1 2 . 1 1 149 149 ALA N N 167 124.595 124.595 124.631 -0.036 18167 1814 1 2 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.270 0.335 18167 1815 1 2 . 1 1 149 149 ALA C C 167 179.460 179.460 178.128 1.332 18167 1816 1 2 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.710 -1.154 18167 1817 1 2 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.616 0.641 18167 1818 1 2 . 1 1 149 149 ALA H H 167 8.107 8.107 8.772 -0.665 18167 1819 1 2 . 1 1 150 150 GLU N N 168 123.906 123.906 123.558 0.348 18167 1820 1 2 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.973 0.525 18167 1821 1 2 . 1 1 150 150 GLU C C 168 178.587 178.587 177.753 0.834 18167 1822 1 2 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.938 -0.992 18167 1823 1 2 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.762 -1.055 18167 1824 1 2 . 1 1 150 150 GLU H H 168 8.471 8.471 9.063 -0.592 18167 1825 1 2 . 1 1 151 151 ASP N N 169 114.005 114.005 118.863 -4.858 18167 1826 1 2 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.465 0.018 18167 1827 1 2 . 1 1 151 151 ASP C C 169 177.260 177.260 178.196 -0.936 18167 1828 1 2 . 1 1 151 151 ASP CA C 169 55.918 55.918 57.041 -1.123 18167 1829 1 2 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.343 -0.258 18167 1830 1 2 . 1 1 151 151 ASP H H 169 8.575 8.575 8.837 -0.262 18167 1831 1 2 . 1 1 152 152 ARG N N 170 118.283 118.283 119.218 -0.935 18167 1832 1 2 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.400 -0.069 18167 1833 1 2 . 1 1 152 152 ARG C C 170 177.094 177.094 178.018 -0.924 18167 1834 1 2 . 1 1 152 152 ARG CA C 170 55.836 55.836 57.153 -1.317 18167 1835 1 2 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.673 1.311 18167 1836 1 2 . 1 1 152 152 ARG H H 170 7.663 7.663 8.017 -0.354 18167 1837 1 2 . 1 1 153 153 TRP N N 171 122.336 122.336 123.719 -1.383 18167 1838 1 2 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.565 -0.655 18167 1839 1 2 . 1 1 153 153 TRP C C 171 175.820 175.820 176.786 -0.966 18167 1840 1 2 . 1 1 153 153 TRP CA C 171 60.876 60.876 62.035 -1.159 18167 1841 1 2 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.346 0.062 18167 1842 1 2 . 1 1 153 153 TRP H H 171 7.689 7.689 8.564 -0.875 18167 1843 1 2 . 1 1 154 154 ASP N N 172 114.179 114.179 116.997 -2.818 18167 1844 1 2 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.492 -0.475 18167 1845 1 2 . 1 1 154 154 ASP C C 172 178.442 178.442 179.304 -0.862 18167 1846 1 2 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.449 0.054 18167 1847 1 2 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.909 -0.745 18167 1848 1 2 . 1 1 154 154 ASP H H 172 8.690 8.690 8.061 0.629 18167 1849 1 2 . 1 1 155 155 THR N N 173 114.661 114.661 115.876 -1.215 18167 1850 1 2 . 1 1 155 155 THR HA H 173 3.990 3.990 4.146 -0.156 18167 1851 1 2 . 1 1 155 155 THR C C 173 175.985 175.985 175.866 0.119 18167 1852 1 2 . 1 1 155 155 THR CA C 173 65.585 65.585 65.395 0.190 18167 1853 1 2 . 1 1 155 155 THR CB C 173 69.076 69.076 69.109 -0.033 18167 1854 1 2 . 1 1 155 155 THR H H 173 7.635 7.635 7.458 0.177 18167 1855 1 2 . 1 1 156 156 VAL N N 174 113.687 113.687 113.808 -0.121 18167 1856 1 2 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.336 -0.059 18167 1857 1 2 . 1 1 156 156 VAL C C 174 176.185 176.185 175.190 0.995 18167 1858 1 2 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.055 1.389 18167 1859 1 2 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.227 2.925 18167 1860 1 2 . 1 1 156 156 VAL H H 174 7.447 7.447 8.048 -0.601 18167 1861 1 2 . 1 1 157 157 LYS N N 175 123.084 123.084 120.279 2.805 18167 1862 1 2 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.660 -0.816 18167 1863 1 2 . 1 1 157 157 LYS C C 175 177.321 177.321 178.286 -0.965 18167 1864 1 2 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.543 0.676 18167 1865 1 2 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.467 -1.272 18167 1866 1 2 . 1 1 157 157 LYS H H 175 7.548 7.548 7.064 0.484 18167 1867 1 2 . 1 1 158 158 SER N N 176 114.046 114.046 114.679 -0.633 18167 1868 1 2 . 1 1 158 158 SER HA H 176 3.820 3.820 4.221 -0.401 18167 1869 1 2 . 1 1 158 158 SER C C 176 176.927 176.927 176.068 0.859 18167 1870 1 2 . 1 1 158 158 SER CA C 176 61.600 61.600 60.017 1.583 18167 1871 1 2 . 1 1 158 158 SER CB C 176 62.048 62.048 62.333 -0.285 18167 1872 1 2 . 1 1 158 158 SER H H 176 8.161 8.161 8.094 0.067 18167 1873 1 2 . 1 1 159 159 LEU N N 177 126.125 126.125 122.776 3.349 18167 1874 1 2 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.802 0.371 18167 1875 1 2 . 1 1 159 159 LEU C C 177 178.403 178.403 177.999 0.404 18167 1876 1 2 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.845 -0.143 18167 1877 1 2 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.246 -0.170 18167 1878 1 2 . 1 1 159 159 LEU H H 177 7.587 7.587 7.225 0.362 18167 1879 1 2 . 1 1 160 160 PHE N N 178 119.582 119.582 117.560 2.022 18167 1880 1 2 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.030 0.252 18167 1881 1 2 . 1 1 160 160 PHE C C 178 177.277 177.277 177.933 -0.656 18167 1882 1 2 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.380 -2.671 18167 1883 1 2 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.411 -1.871 18167 1884 1 2 . 1 1 160 160 PHE H H 178 9.067 9.067 6.751 2.316 18167 1885 1 2 . 1 1 161 161 ASP N N 179 120.599 120.599 120.007 0.592 18167 1886 1 2 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.490 -0.150 18167 1887 1 2 . 1 1 161 161 ASP C C 179 179.216 179.216 178.944 0.272 18167 1888 1 2 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.468 0.434 18167 1889 1 2 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.059 0.898 18167 1890 1 2 . 1 1 161 161 ASP H H 179 8.578 8.578 7.773 0.805 18167 1891 1 2 . 1 1 162 162 THR N N 180 118.300 118.300 117.485 0.815 18167 1892 1 2 . 1 1 162 162 THR HA H 180 3.849 3.849 4.088 -0.239 18167 1893 1 2 . 1 1 162 162 THR C C 180 176.875 176.875 176.905 -0.030 18167 1894 1 2 . 1 1 162 162 THR CA C 180 66.977 66.977 66.654 0.323 18167 1895 1 2 . 1 1 162 162 THR CB C 180 68.886 68.886 68.831 0.055 18167 1896 1 2 . 1 1 162 162 THR H H 180 7.771 7.771 8.529 -0.758 18167 1897 1 2 . 1 1 163 163 VAL N N 181 123.234 123.234 121.111 2.123 18167 1898 1 2 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.815 -0.221 18167 1899 1 2 . 1 1 163 163 VAL C C 181 180.016 180.016 177.495 2.521 18167 1900 1 2 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.222 0.534 18167 1901 1 2 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.314 0.398 18167 1902 1 2 . 1 1 163 163 VAL H H 181 8.831 8.831 8.487 0.344 18167 1903 1 2 . 1 1 164 164 ALA N N 182 124.654 124.654 121.536 3.118 18167 1904 1 2 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.292 -0.030 18167 1905 1 2 . 1 1 164 164 ALA C C 182 180.510 180.510 179.372 1.138 18167 1906 1 2 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.241 1.218 18167 1907 1 2 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.273 -0.710 18167 1908 1 2 . 1 1 164 164 ALA H H 182 9.662 9.662 8.557 1.105 18167 1909 1 2 . 1 1 165 165 SER N N 183 112.325 112.325 111.687 0.638 18167 1910 1 2 . 1 1 165 165 SER HA H 183 4.173 4.173 4.447 -0.274 18167 1911 1 2 . 1 1 165 165 SER C C 183 173.817 173.817 175.986 -2.169 18167 1912 1 2 . 1 1 165 165 SER CA C 183 61.155 61.155 59.442 1.713 18167 1913 1 2 . 1 1 165 165 SER CB C 183 63.140 63.140 63.608 -0.468 18167 1914 1 2 . 1 1 165 165 SER H H 183 7.988 7.988 7.982 0.006 18167 1915 1 2 . 1 1 166 166 SER N N 184 117.332 117.332 116.182 1.150 18167 1916 1 2 . 1 1 166 166 SER HA H 184 4.356 4.356 4.369 -0.013 18167 1917 1 2 . 1 1 166 166 SER C C 184 174.163 174.163 175.773 -1.610 18167 1918 1 2 . 1 1 166 166 SER CA C 184 59.502 59.502 60.112 -0.611 18167 1919 1 2 . 1 1 166 166 SER CB C 184 63.416 63.416 63.495 -0.079 18167 1920 1 2 . 1 1 166 166 SER H H 184 7.766 7.766 7.720 0.046 18167 1921 1 2 . 1 1 167 167 PHE N N 185 124.827 124.827 122.388 2.439 18167 1922 1 2 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.549 0.614 18167 1923 1 2 . 1 1 167 167 PHE C C 185 174.545 174.545 174.576 -0.031 18167 1924 1 2 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.869 -0.367 18167 1925 1 2 . 1 1 167 167 PHE CB C 185 38.390 38.390 38.590 -0.200 18167 1926 1 2 . 1 1 167 167 PHE H H 185 7.101 7.101 7.495 -0.394 18167 1927 1 2 . 1 1 168 168 HIS N N 186 127.050 127.050 122.309 4.741 18167 1928 1 2 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.467 0.686 18167 1929 1 2 . 1 1 168 168 HIS C C 186 172.836 172.836 173.357 -0.521 18167 1930 1 2 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.840 -0.684 18167 1931 1 2 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.122 -2.119 18167 1932 1 2 . 1 1 168 168 HIS H H 186 8.645 8.645 8.657 -0.012 18167 1933 1 2 . 1 1 169 169 VAL N N 187 114.268 114.268 118.216 -3.948 18167 1934 1 2 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.355 -0.195 18167 1935 1 2 . 1 1 169 169 VAL C C 187 174.449 174.449 174.401 0.048 18167 1936 1 2 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.221 -0.868 18167 1937 1 2 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.864 -1.455 18167 1938 1 2 . 1 1 169 169 VAL H H 187 7.466 7.466 7.415 0.051 18167 1939 1 3 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.409 0.063 18167 1940 1 3 . 1 1 2 2 PRO C C 20 177.006 177.006 176.955 0.051 18167 1941 1 3 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.668 -0.628 18167 1942 1 3 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.132 -0.068 18167 1943 1 3 . 1 1 3 3 LEU N N 21 122.423 122.423 120.166 2.257 18167 1944 1 3 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.454 -0.113 18167 1945 1 3 . 1 1 3 3 LEU C C 21 177.928 177.928 177.437 0.491 18167 1946 1 3 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.130 0.188 18167 1947 1 3 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.406 -0.140 18167 1948 1 3 . 1 1 3 3 LEU H H 21 8.551 8.551 7.520 1.031 18167 1949 1 3 . 1 1 4 4 GLY N N 22 109.759 109.759 109.194 0.565 18167 1950 1 3 . 1 1 4 4 GLY C C 22 174.309 174.309 173.978 0.331 18167 1951 1 3 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.752 0.478 18167 1952 1 3 . 1 1 4 4 GLY H H 22 8.423 8.423 8.566 -0.143 18167 1953 1 3 . 1 1 5 5 SER N N 23 115.538 115.538 116.545 -1.007 18167 1954 1 3 . 1 1 5 5 SER HA H 23 4.488 4.488 4.917 -0.429 18167 1955 1 3 . 1 1 5 5 SER C C 23 174.841 174.841 175.500 -0.659 18167 1956 1 3 . 1 1 5 5 SER CA C 23 58.329 58.329 57.051 1.278 18167 1957 1 3 . 1 1 5 5 SER CB C 23 63.957 63.957 64.867 -0.910 18167 1958 1 3 . 1 1 5 5 SER H H 23 8.233 8.233 7.921 0.312 18167 1959 1 3 . 1 1 6 6 CYS N N 24 120.699 120.699 123.099 -2.400 18167 1960 1 3 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.336 0.206 18167 1961 1 3 . 1 1 6 6 CYS C C 24 175.079 175.079 175.967 -0.888 18167 1962 1 3 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.788 -0.071 18167 1963 1 3 . 1 1 6 6 CYS CB C 24 27.969 27.969 27.632 0.337 18167 1964 1 3 . 1 1 6 6 CYS H H 24 8.493 8.493 8.946 -0.453 18167 1965 1 3 . 1 1 7 7 GLY N N 25 110.895 110.895 109.242 1.653 18167 1966 1 3 . 1 1 7 7 GLY C C 25 174.402 174.402 175.147 -0.745 18167 1967 1 3 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.242 0.235 18167 1968 1 3 . 1 1 7 7 GLY H H 25 8.449 8.449 7.594 0.855 18167 1969 1 3 . 1 1 8 8 GLY N N 26 108.733 108.733 109.632 -0.899 18167 1970 1 3 . 1 1 8 8 GLY C C 26 174.113 174.113 173.669 0.444 18167 1971 1 3 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.627 0.553 18167 1972 1 3 . 1 1 8 8 GLY H H 26 8.236 8.236 8.430 -0.194 18167 1973 1 3 . 1 1 9 9 VAL N N 27 118.903 118.903 118.306 0.597 18167 1974 1 3 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.343 -0.219 18167 1975 1 3 . 1 1 9 9 VAL C C 27 176.630 176.630 175.053 1.577 18167 1976 1 3 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.760 0.625 18167 1977 1 3 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.896 -1.375 18167 1978 1 3 . 1 1 9 9 VAL H H 27 8.019 8.019 8.020 -0.001 18167 1979 1 3 . 1 1 10 10 GLY N N 28 112.317 112.317 116.388 -4.071 18167 1980 1 3 . 1 1 10 10 GLY C C 28 174.378 174.378 173.450 0.928 18167 1981 1 3 . 1 1 10 10 GLY CA C 28 45.346 45.346 45.111 0.235 18167 1982 1 3 . 1 1 10 10 GLY H H 28 8.483 8.483 8.342 0.141 18167 1983 1 3 . 1 1 11 11 ILE N N 29 119.788 119.788 118.401 1.387 18167 1984 1 3 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.783 -0.702 18167 1985 1 3 . 1 1 11 11 ILE C C 29 176.168 176.168 174.641 1.527 18167 1986 1 3 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.413 0.999 18167 1987 1 3 . 1 1 11 11 ILE CB C 29 38.557 38.557 39.861 -1.304 18167 1988 1 3 . 1 1 11 11 ILE H H 29 7.948 7.948 7.705 0.243 18167 1989 1 3 . 1 1 12 12 ALA N N 30 126.009 126.009 124.315 1.694 18167 1990 1 3 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.627 -0.339 18167 1991 1 3 . 1 1 12 12 ALA C C 30 177.504 177.504 176.515 0.989 18167 1992 1 3 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.447 1.418 18167 1993 1 3 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.045 -1.079 18167 1994 1 3 . 1 1 12 12 ALA H H 30 8.247 8.247 8.213 0.034 18167 1995 1 3 . 1 1 13 13 SER N N 31 113.949 113.949 113.960 -0.011 18167 1996 1 3 . 1 1 13 13 SER HA H 31 4.392 4.392 4.355 0.037 18167 1997 1 3 . 1 1 13 13 SER C C 31 173.644 173.644 173.495 0.149 18167 1998 1 3 . 1 1 13 13 SER CA C 31 58.329 58.329 58.501 -0.172 18167 1999 1 3 . 1 1 13 13 SER CB C 31 63.609 63.609 63.685 -0.076 18167 2000 1 3 . 1 1 13 13 SER H H 31 8.045 8.045 8.274 -0.229 18167 2001 1 3 . 1 1 14 14 LEU N N 32 122.240 122.240 119.943 2.297 18167 2002 1 3 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.352 0.193 18167 2003 1 3 . 1 1 14 14 LEU C C 32 176.001 176.001 175.946 0.055 18167 2004 1 3 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.075 -0.198 18167 2005 1 3 . 1 1 14 14 LEU CB C 32 44.245 44.245 45.010 -0.765 18167 2006 1 3 . 1 1 14 14 LEU H H 32 7.749 7.749 8.267 -0.518 18167 2007 1 3 . 1 1 15 15 GLN N N 33 120.685 120.685 119.452 1.233 18167 2008 1 3 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.673 -0.291 18167 2009 1 3 . 1 1 15 15 GLN C C 33 172.944 172.944 173.258 -0.314 18167 2010 1 3 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.622 -0.161 18167 2011 1 3 . 1 1 15 15 GLN CB C 33 30.743 30.743 32.210 -1.467 18167 2012 1 3 . 1 1 15 15 GLN H H 33 8.780 8.780 8.188 0.592 18167 2013 1 3 . 1 1 16 16 ARG N N 34 120.341 120.341 121.475 -1.134 18167 2014 1 3 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.825 0.079 18167 2015 1 3 . 1 1 16 16 ARG C C 34 175.846 175.846 174.944 0.902 18167 2016 1 3 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.871 0.830 18167 2017 1 3 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.840 -0.097 18167 2018 1 3 . 1 1 16 16 ARG H H 34 8.274 8.274 8.376 -0.102 18167 2019 1 3 . 1 1 17 17 TYR N N 35 128.733 128.733 127.495 1.238 18167 2020 1 3 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.635 -0.077 18167 2021 1 3 . 1 1 17 17 TYR C C 35 173.307 173.307 173.142 0.165 18167 2022 1 3 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.715 0.018 18167 2023 1 3 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.488 0.095 18167 2024 1 3 . 1 1 17 17 TYR H H 35 9.104 9.104 8.654 0.450 18167 2025 1 3 . 1 1 18 18 SER N N 36 119.150 119.150 119.621 -0.471 18167 2026 1 3 . 1 1 18 18 SER HA H 36 4.786 4.786 4.931 -0.145 18167 2027 1 3 . 1 1 18 18 SER C C 36 172.002 172.002 172.461 -0.459 18167 2028 1 3 . 1 1 18 18 SER CA C 36 56.341 56.341 56.154 0.187 18167 2029 1 3 . 1 1 18 18 SER CB C 36 65.327 65.327 66.701 -1.374 18167 2030 1 3 . 1 1 18 18 SER H H 36 7.398 7.398 7.557 -0.159 18167 2031 1 3 . 1 1 19 19 ASP N N 37 124.935 124.935 120.701 4.234 18167 2032 1 3 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.904 -0.233 18167 2033 1 3 . 1 1 19 19 ASP C C 37 176.089 176.089 176.324 -0.235 18167 2034 1 3 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.854 -1.045 18167 2035 1 3 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.796 -1.331 18167 2036 1 3 . 1 1 19 19 ASP H H 37 8.607 8.607 8.418 0.189 18167 2037 1 3 . 1 1 20 20 THR N N 38 117.032 117.032 120.758 -3.726 18167 2038 1 3 . 1 1 20 20 THR HA H 38 4.316 4.316 3.876 0.440 18167 2039 1 3 . 1 1 20 20 THR C C 38 175.794 175.794 175.550 0.244 18167 2040 1 3 . 1 1 20 20 THR CA C 38 63.123 63.123 65.470 -2.347 18167 2041 1 3 . 1 1 20 20 THR CB C 38 68.905 68.905 69.158 -0.253 18167 2042 1 3 . 1 1 20 20 THR H H 38 8.470 8.470 8.539 -0.069 18167 2043 1 3 . 1 1 21 21 LYS N N 39 124.893 124.893 120.932 3.961 18167 2044 1 3 . 1 1 21 21 LYS HA H 39 4.189 4.189 3.969 0.220 18167 2045 1 3 . 1 1 21 21 LYS C C 39 177.678 177.678 177.493 0.185 18167 2046 1 3 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.580 -0.785 18167 2047 1 3 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.480 -0.812 18167 2048 1 3 . 1 1 21 21 LYS H H 39 8.201 8.201 7.815 0.386 18167 2049 1 3 . 1 1 22 22 ASP N N 40 118.183 118.183 116.132 2.051 18167 2050 1 3 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.518 0.303 18167 2051 1 3 . 1 1 22 22 ASP C C 40 176.752 176.752 177.084 -0.332 18167 2052 1 3 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.559 0.320 18167 2053 1 3 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.851 1.018 18167 2054 1 3 . 1 1 22 22 ASP H H 40 8.480 8.480 8.255 0.225 18167 2055 1 3 . 1 1 23 23 GLY N N 41 108.978 108.978 108.430 0.548 18167 2056 1 3 . 1 1 23 23 GLY C C 41 172.396 172.396 173.376 -0.980 18167 2057 1 3 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.505 1.611 18167 2058 1 3 . 1 1 23 23 GLY H H 41 7.421 7.421 8.426 -1.005 18167 2059 1 3 . 1 1 24 24 TYR N N 42 112.046 112.046 116.054 -4.008 18167 2060 1 3 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.834 -0.440 18167 2061 1 3 . 1 1 24 24 TYR C C 42 173.028 173.028 172.948 0.080 18167 2062 1 3 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.524 1.308 18167 2063 1 3 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.548 0.306 18167 2064 1 3 . 1 1 24 24 TYR H H 42 7.506 7.506 7.769 -0.263 18167 2065 1 3 . 1 1 25 25 GLU N N 43 117.470 117.470 119.989 -2.519 18167 2066 1 3 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.078 0.390 18167 2067 1 3 . 1 1 25 25 GLU C C 43 173.311 173.311 174.405 -1.094 18167 2068 1 3 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.132 -0.901 18167 2069 1 3 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.996 -0.371 18167 2070 1 3 . 1 1 25 25 GLU H H 43 8.934 8.934 8.893 0.041 18167 2071 1 3 . 1 1 26 26 PHE N N 44 112.795 112.795 117.138 -4.343 18167 2072 1 3 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.249 -0.407 18167 2073 1 3 . 1 1 26 26 PHE C C 44 172.776 172.776 172.885 -0.109 18167 2074 1 3 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.578 0.038 18167 2075 1 3 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.942 -1.493 18167 2076 1 3 . 1 1 26 26 PHE H H 44 8.532 8.532 8.369 0.163 18167 2077 1 3 . 1 1 27 27 LEU N N 45 119.784 119.784 123.248 -3.464 18167 2078 1 3 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.820 0.700 18167 2079 1 3 . 1 1 27 27 LEU C C 45 174.965 174.965 175.383 -0.418 18167 2080 1 3 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.271 -1.497 18167 2081 1 3 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.892 0.758 18167 2082 1 3 . 1 1 27 27 LEU H H 45 9.241 9.241 8.762 0.479 18167 2083 1 3 . 1 1 28 28 TYR N N 46 113.008 113.008 122.077 -9.069 18167 2084 1 3 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.860 0.053 18167 2085 1 3 . 1 1 28 28 TYR C C 46 171.354 171.354 172.078 -0.724 18167 2086 1 3 . 1 1 28 28 TYR CA C 46 54.757 54.757 53.745 1.012 18167 2087 1 3 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.863 -0.716 18167 2088 1 3 . 1 1 28 28 TYR H H 46 8.951 8.951 8.199 0.752 18167 2089 1 3 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.889 0.118 18167 2090 1 3 . 1 1 29 29 PRO C C 47 176.165 176.165 175.847 0.318 18167 2091 1 3 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.858 0.460 18167 2092 1 3 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.077 -0.737 18167 2093 1 3 . 1 1 30 30 ASN N N 48 119.923 119.923 120.407 -0.484 18167 2094 1 3 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.371 -0.108 18167 2095 1 3 . 1 1 30 30 ASN C C 48 176.347 176.347 176.159 0.188 18167 2096 1 3 . 1 1 30 30 ASN CA C 48 55.201 55.201 52.564 2.637 18167 2097 1 3 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.625 -0.037 18167 2098 1 3 . 1 1 30 30 ASN H H 48 8.163 8.163 7.770 0.393 18167 2099 1 3 . 1 1 31 31 GLY N N 49 111.442 111.442 108.562 2.880 18167 2100 1 3 . 1 1 31 31 GLY C C 49 174.985 174.985 174.895 0.090 18167 2101 1 3 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.142 0.250 18167 2102 1 3 . 1 1 31 31 GLY H H 49 8.702 8.702 8.745 -0.043 18167 2103 1 3 . 1 1 32 32 TRP N N 50 122.100 122.100 120.762 1.338 18167 2104 1 3 . 1 1 32 32 TRP HA H 50 5.342 5.342 4.901 0.441 18167 2105 1 3 . 1 1 32 32 TRP C C 50 176.370 176.370 177.516 -1.146 18167 2106 1 3 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.812 0.481 18167 2107 1 3 . 1 1 32 32 TRP CB C 50 30.104 30.104 29.757 0.347 18167 2108 1 3 . 1 1 32 32 TRP H H 50 8.008 8.008 7.755 0.253 18167 2109 1 3 . 1 1 33 33 ILE N N 51 117.163 117.163 120.116 -2.953 18167 2110 1 3 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.820 0.135 18167 2111 1 3 . 1 1 33 33 ILE C C 51 175.549 175.549 175.226 0.323 18167 2112 1 3 . 1 1 33 33 ILE CA C 51 59.228 59.228 60.209 -0.980 18167 2113 1 3 . 1 1 33 33 ILE CB C 51 42.089 42.089 39.994 2.095 18167 2114 1 3 . 1 1 33 33 ILE H H 51 9.249 9.249 8.410 0.839 18167 2115 1 3 . 1 1 34 34 GLY N N 52 111.812 111.812 112.580 -0.768 18167 2116 1 3 . 1 1 34 34 GLY C C 52 173.956 173.956 173.864 0.092 18167 2117 1 3 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.905 1.499 18167 2118 1 3 . 1 1 34 34 GLY H H 52 8.787 8.787 8.437 0.350 18167 2119 1 3 . 1 1 35 35 VAL N N 53 122.174 122.174 123.923 -1.749 18167 2120 1 3 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.273 -0.129 18167 2121 1 3 . 1 1 35 35 VAL C C 53 174.921 174.921 175.079 -0.158 18167 2122 1 3 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.161 -0.504 18167 2123 1 3 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.165 -0.125 18167 2124 1 3 . 1 1 35 35 VAL H H 53 7.763 7.763 8.663 -0.900 18167 2125 1 3 . 1 1 36 36 ASP N N 54 125.424 125.424 125.082 0.342 18167 2126 1 3 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.624 -0.035 18167 2127 1 3 . 1 1 36 36 ASP C C 54 176.890 176.890 175.978 0.912 18167 2128 1 3 . 1 1 36 36 ASP CA C 54 54.450 54.450 53.704 0.746 18167 2129 1 3 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.270 -0.097 18167 2130 1 3 . 1 1 36 36 ASP H H 54 8.425 8.425 8.579 -0.154 18167 2131 1 3 . 1 1 37 37 VAL N N 55 120.335 120.335 114.645 5.690 18167 2132 1 3 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.306 -0.138 18167 2133 1 3 . 1 1 37 37 VAL C C 55 176.785 176.785 174.967 1.818 18167 2134 1 3 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.319 0.600 18167 2135 1 3 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.554 -0.764 18167 2136 1 3 . 1 1 37 37 VAL H H 55 8.215 8.215 8.140 0.075 18167 2137 1 3 . 1 1 38 38 LYS N N 56 124.881 124.881 122.365 2.516 18167 2138 1 3 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.368 -0.166 18167 2139 1 3 . 1 1 38 38 LYS C C 56 177.828 177.828 177.712 0.116 18167 2140 1 3 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.214 0.789 18167 2141 1 3 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.240 -0.603 18167 2142 1 3 . 1 1 38 38 LYS H H 56 8.331 8.331 7.855 0.476 18167 2143 1 3 . 1 1 39 39 GLY N N 57 111.152 111.152 112.101 -0.949 18167 2144 1 3 . 1 1 39 39 GLY C C 57 174.253 174.253 174.030 0.223 18167 2145 1 3 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.804 0.556 18167 2146 1 3 . 1 1 39 39 GLY H H 57 8.651 8.651 8.944 -0.293 18167 2147 1 3 . 1 1 40 40 ALA N N 58 123.085 123.085 122.581 0.504 18167 2148 1 3 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.408 -0.025 18167 2149 1 3 . 1 1 40 40 ALA C C 58 177.125 177.125 176.888 0.237 18167 2150 1 3 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.117 1.237 18167 2151 1 3 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.848 -0.231 18167 2152 1 3 . 1 1 40 40 ALA H H 58 7.839 7.839 7.573 0.266 18167 2153 1 3 . 1 1 41 41 SER N N 59 115.088 115.088 116.612 -1.524 18167 2154 1 3 . 1 1 41 41 SER HA H 59 4.688 4.688 4.353 0.335 18167 2155 1 3 . 1 1 41 41 SER C C 59 171.885 171.885 173.080 -1.195 18167 2156 1 3 . 1 1 41 41 SER CA C 59 56.951 56.951 58.028 -1.077 18167 2157 1 3 . 1 1 41 41 SER CB C 59 63.123 63.123 62.436 0.687 18167 2158 1 3 . 1 1 41 41 SER H H 59 8.186 8.186 8.310 -0.124 18167 2159 1 3 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.209 0.140 18167 2160 1 3 . 1 1 42 42 PRO C C 60 177.660 177.660 177.539 0.121 18167 2161 1 3 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.414 -0.189 18167 2162 1 3 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.843 -0.302 18167 2163 1 3 . 1 1 43 43 GLY N N 61 111.997 111.997 109.910 2.087 18167 2164 1 3 . 1 1 43 43 GLY C C 61 174.070 174.070 174.136 -0.066 18167 2165 1 3 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.876 0.738 18167 2166 1 3 . 1 1 43 43 GLY H H 61 8.730 8.730 8.455 0.275 18167 2167 1 3 . 1 1 44 44 VAL N N 62 120.539 120.539 122.044 -1.505 18167 2168 1 3 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.694 0.583 18167 2169 1 3 . 1 1 44 44 VAL C C 62 175.277 175.277 174.549 0.728 18167 2170 1 3 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.563 -1.636 18167 2171 1 3 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.768 -0.213 18167 2172 1 3 . 1 1 44 44 VAL H H 62 7.573 7.573 7.781 -0.208 18167 2173 1 3 . 1 1 45 45 ASP N N 63 128.619 128.619 127.057 1.562 18167 2174 1 3 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.748 0.159 18167 2175 1 3 . 1 1 45 45 ASP C C 63 176.177 176.177 175.263 0.914 18167 2176 1 3 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.576 1.279 18167 2177 1 3 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.663 0.612 18167 2178 1 3 . 1 1 45 45 ASP H H 63 9.084 9.084 8.217 0.867 18167 2179 1 3 . 1 1 46 46 VAL N N 64 115.687 115.687 117.502 -1.815 18167 2180 1 3 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.163 0.147 18167 2181 1 3 . 1 1 46 46 VAL C C 64 172.853 172.853 173.879 -1.026 18167 2182 1 3 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.922 0.249 18167 2183 1 3 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.776 0.132 18167 2184 1 3 . 1 1 46 46 VAL H H 64 7.314 7.314 7.413 -0.099 18167 2185 1 3 . 1 1 47 47 VAL N N 65 124.933 124.933 123.587 1.346 18167 2186 1 3 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.344 0.712 18167 2187 1 3 . 1 1 47 47 VAL C C 65 175.266 175.266 174.080 1.186 18167 2188 1 3 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.075 0.007 18167 2189 1 3 . 1 1 47 47 VAL CB C 65 36.667 36.667 33.412 3.255 18167 2190 1 3 . 1 1 47 47 VAL H H 65 8.146 8.146 7.938 0.208 18167 2191 1 3 . 1 1 48 48 PHE N N 66 122.916 122.916 126.721 -3.805 18167 2192 1 3 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.119 0.372 18167 2193 1 3 . 1 1 48 48 PHE C C 66 174.371 174.371 174.235 0.136 18167 2194 1 3 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.789 -0.260 18167 2195 1 3 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.368 1.791 18167 2196 1 3 . 1 1 48 48 PHE H H 66 8.469 8.469 9.121 -0.652 18167 2197 1 3 . 1 1 49 49 ARG N N 67 116.381 116.381 121.974 -5.593 18167 2198 1 3 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.611 -0.106 18167 2199 1 3 . 1 1 49 49 ARG C C 67 173.455 173.455 173.884 -0.429 18167 2200 1 3 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.567 -0.733 18167 2201 1 3 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.520 0.378 18167 2202 1 3 . 1 1 49 49 ARG H H 67 9.271 9.271 8.668 0.603 18167 2203 1 3 . 1 1 50 50 ASP N N 68 121.066 121.066 127.068 -6.002 18167 2204 1 3 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.441 -0.390 18167 2205 1 3 . 1 1 50 50 ASP C C 68 176.670 176.670 175.673 0.997 18167 2206 1 3 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.619 0.997 18167 2207 1 3 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.622 1.279 18167 2208 1 3 . 1 1 50 50 ASP H H 68 7.165 7.165 8.248 -1.083 18167 2209 1 3 . 1 1 51 51 LEU N N 69 124.078 124.078 124.818 -0.740 18167 2210 1 3 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.075 -0.050 18167 2211 1 3 . 1 1 51 51 LEU C C 69 177.463 177.463 177.476 -0.013 18167 2212 1 3 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.427 -0.019 18167 2213 1 3 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.284 0.865 18167 2214 1 3 . 1 1 51 51 LEU H H 69 8.314 8.314 8.542 -0.228 18167 2215 1 3 . 1 1 52 52 ILE N N 70 118.341 118.341 116.382 1.959 18167 2216 1 3 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.906 0.167 18167 2217 1 3 . 1 1 52 52 ILE C C 70 177.093 177.093 175.860 1.233 18167 2218 1 3 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.219 -1.361 18167 2219 1 3 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.249 0.371 18167 2220 1 3 . 1 1 52 52 ILE H H 70 8.178 8.178 7.820 0.358 18167 2221 1 3 . 1 1 53 53 GLU N N 71 122.254 122.254 117.016 5.238 18167 2222 1 3 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.503 -0.119 18167 2223 1 3 . 1 1 53 53 GLU C C 71 176.084 176.084 175.270 0.814 18167 2224 1 3 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.136 -0.329 18167 2225 1 3 . 1 1 53 53 GLU CB C 71 28.758 28.758 31.111 -2.353 18167 2226 1 3 . 1 1 53 53 GLU H H 71 8.974 8.974 7.931 1.043 18167 2227 1 3 . 1 1 54 54 ARG N N 72 121.414 121.414 123.374 -1.960 18167 2228 1 3 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.108 -0.126 18167 2229 1 3 . 1 1 54 54 ARG C C 72 176.478 176.478 177.055 -0.577 18167 2230 1 3 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.502 -0.262 18167 2231 1 3 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.539 -0.575 18167 2232 1 3 . 1 1 54 54 ARG H H 72 8.052 8.052 8.512 -0.460 18167 2233 1 3 . 1 1 55 55 ASP N N 73 117.425 117.425 118.595 -1.170 18167 2234 1 3 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.404 0.047 18167 2235 1 3 . 1 1 55 55 ASP C C 73 173.783 173.783 175.903 -2.120 18167 2236 1 3 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.405 -0.331 18167 2237 1 3 . 1 1 55 55 ASP CB C 73 40.742 40.742 39.877 0.865 18167 2238 1 3 . 1 1 55 55 ASP H H 73 8.455 8.455 8.329 0.126 18167 2239 1 3 . 1 1 56 56 GLU N N 74 124.050 124.050 120.689 3.361 18167 2240 1 3 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.492 1.007 18167 2241 1 3 . 1 1 56 56 GLU C C 74 174.110 174.110 174.950 -0.840 18167 2242 1 3 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.125 0.353 18167 2243 1 3 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.252 2.194 18167 2244 1 3 . 1 1 56 56 GLU H H 74 7.773 7.773 7.988 -0.215 18167 2245 1 3 . 1 1 57 57 ASN N N 75 119.794 119.794 123.965 -4.171 18167 2246 1 3 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.935 -0.172 18167 2247 1 3 . 1 1 57 57 ASN C C 75 171.893 171.893 173.058 -1.165 18167 2248 1 3 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.680 0.283 18167 2249 1 3 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.467 -0.098 18167 2250 1 3 . 1 1 57 57 ASN H H 75 8.891 8.891 8.239 0.652 18167 2251 1 3 . 1 1 58 58 LEU N N 76 116.438 116.438 123.728 -7.290 18167 2252 1 3 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.139 0.202 18167 2253 1 3 . 1 1 58 58 LEU C C 76 174.630 174.630 174.309 0.321 18167 2254 1 3 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.793 -0.965 18167 2255 1 3 . 1 1 58 58 LEU CB C 76 45.879 45.879 46.261 -0.383 18167 2256 1 3 . 1 1 58 58 LEU H H 76 9.166 9.166 8.668 0.498 18167 2257 1 3 . 1 1 59 59 SER N N 77 114.543 114.543 119.188 -4.645 18167 2258 1 3 . 1 1 59 59 SER HA H 77 5.432 5.432 4.956 0.476 18167 2259 1 3 . 1 1 59 59 SER C C 77 172.602 172.602 172.707 -0.105 18167 2260 1 3 . 1 1 59 59 SER CA C 77 56.593 56.593 56.496 0.097 18167 2261 1 3 . 1 1 59 59 SER CB C 77 66.720 66.720 65.604 1.116 18167 2262 1 3 . 1 1 59 59 SER H H 77 8.352 8.352 9.009 -0.657 18167 2263 1 3 . 1 1 60 60 VAL N N 78 122.017 122.017 126.875 -4.858 18167 2264 1 3 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.280 0.689 18167 2265 1 3 . 1 1 60 60 VAL C C 78 174.861 174.861 174.493 0.368 18167 2266 1 3 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.251 -0.067 18167 2267 1 3 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.690 -0.378 18167 2268 1 3 . 1 1 60 60 VAL H H 78 8.306 8.306 8.377 -0.071 18167 2269 1 3 . 1 1 61 61 ILE N N 79 128.458 128.458 127.762 0.696 18167 2270 1 3 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.631 0.090 18167 2271 1 3 . 1 1 61 61 ILE C C 79 175.639 175.639 174.397 1.242 18167 2272 1 3 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.476 -0.232 18167 2273 1 3 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.235 1.051 18167 2274 1 3 . 1 1 61 61 ILE H H 79 9.193 9.193 7.822 1.371 18167 2275 1 3 . 1 1 62 62 ILE N N 80 129.957 129.957 127.410 2.547 18167 2276 1 3 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.947 0.095 18167 2277 1 3 . 1 1 62 62 ILE C C 80 175.727 175.727 175.035 0.692 18167 2278 1 3 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.816 0.342 18167 2279 1 3 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.458 -0.681 18167 2280 1 3 . 1 1 62 62 ILE H H 80 9.140 9.140 8.782 0.358 18167 2281 1 3 . 1 1 63 63 SER N N 81 122.084 122.084 121.144 0.940 18167 2282 1 3 . 1 1 63 63 SER HA H 81 4.878 4.878 4.775 0.103 18167 2283 1 3 . 1 1 63 63 SER C C 81 172.933 172.933 172.122 0.811 18167 2284 1 3 . 1 1 63 63 SER CA C 81 56.689 56.689 57.214 -0.525 18167 2285 1 3 . 1 1 63 63 SER CB C 81 65.862 65.862 66.787 -0.925 18167 2286 1 3 . 1 1 63 63 SER H H 81 9.079 9.079 8.841 0.238 18167 2287 1 3 . 1 1 64 64 GLU N N 82 121.983 121.983 121.259 0.724 18167 2288 1 3 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.855 -0.263 18167 2289 1 3 . 1 1 64 64 GLU C C 82 176.501 176.501 176.053 0.448 18167 2290 1 3 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.764 2.077 18167 2291 1 3 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.494 -0.984 18167 2292 1 3 . 1 1 64 64 GLU H H 82 8.664 8.664 8.458 0.206 18167 2293 1 3 . 1 1 65 65 ILE N N 83 121.194 121.194 119.810 1.384 18167 2294 1 3 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.550 0.027 18167 2295 1 3 . 1 1 65 65 ILE C C 83 173.233 173.233 174.346 -1.113 18167 2296 1 3 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.224 0.574 18167 2297 1 3 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.662 1.826 18167 2298 1 3 . 1 1 65 65 ILE H H 83 8.271 8.271 8.056 0.215 18167 2299 1 3 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.504 -0.053 18167 2300 1 3 . 1 1 66 66 PRO C C 84 177.697 177.697 177.816 -0.119 18167 2301 1 3 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.639 0.558 18167 2302 1 3 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.471 -0.406 18167 2303 1 3 . 1 1 67 67 SER N N 85 116.018 116.018 118.202 -2.184 18167 2304 1 3 . 1 1 67 67 SER HA H 85 4.149 4.149 4.153 -0.004 18167 2305 1 3 . 1 1 67 67 SER C C 85 174.387 174.387 175.214 -0.827 18167 2306 1 3 . 1 1 67 67 SER CA C 85 60.348 60.348 60.722 -0.374 18167 2307 1 3 . 1 1 67 67 SER CB C 85 63.402 63.402 63.312 0.090 18167 2308 1 3 . 1 1 67 67 SER H H 85 8.465 8.465 8.580 -0.115 18167 2309 1 3 . 1 1 68 68 ASP N N 86 118.568 118.568 119.536 -0.968 18167 2310 1 3 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.543 0.015 18167 2311 1 3 . 1 1 68 68 ASP C C 86 175.732 175.732 175.776 -0.044 18167 2312 1 3 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.227 -1.417 18167 2313 1 3 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.194 -0.976 18167 2314 1 3 . 1 1 68 68 ASP H H 86 8.531 8.531 8.323 0.208 18167 2315 1 3 . 1 1 69 69 LYS N N 87 119.225 119.225 117.744 1.481 18167 2316 1 3 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.746 -0.064 18167 2317 1 3 . 1 1 69 69 LYS C C 87 175.814 175.814 175.033 0.781 18167 2318 1 3 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.366 -0.505 18167 2319 1 3 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.425 -1.718 18167 2320 1 3 . 1 1 69 69 LYS H H 87 7.653 7.653 7.442 0.211 18167 2321 1 3 . 1 1 70 70 THR N N 88 113.175 113.175 114.022 -0.847 18167 2322 1 3 . 1 1 70 70 THR HA H 88 4.529 4.529 4.486 0.043 18167 2323 1 3 . 1 1 70 70 THR C C 88 175.278 175.278 175.857 -0.579 18167 2324 1 3 . 1 1 70 70 THR CA C 88 60.699 60.699 59.701 0.998 18167 2325 1 3 . 1 1 70 70 THR CB C 88 70.710 70.710 71.148 -0.438 18167 2326 1 3 . 1 1 70 70 THR H H 88 8.608 8.608 8.176 0.432 18167 2327 1 3 . 1 1 71 71 LEU N N 89 121.978 121.978 122.134 -0.156 18167 2328 1 3 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.961 -0.024 18167 2329 1 3 . 1 1 71 71 LEU C C 89 177.698 177.698 177.763 -0.065 18167 2330 1 3 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.200 -0.437 18167 2331 1 3 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.829 0.666 18167 2332 1 3 . 1 1 71 71 LEU H H 89 7.998 7.998 8.873 -0.875 18167 2333 1 3 . 1 1 72 72 THR N N 90 106.680 106.680 110.607 -3.927 18167 2334 1 3 . 1 1 72 72 THR HA H 90 4.221 4.221 4.087 0.134 18167 2335 1 3 . 1 1 72 72 THR C C 90 176.248 176.248 175.550 0.698 18167 2336 1 3 . 1 1 72 72 THR CA C 90 63.648 63.648 65.042 -1.394 18167 2337 1 3 . 1 1 72 72 THR CB C 90 68.620 68.620 68.592 0.028 18167 2338 1 3 . 1 1 72 72 THR H H 90 7.798 7.798 7.516 0.282 18167 2339 1 3 . 1 1 73 73 ASP N N 91 120.626 120.626 119.775 0.851 18167 2340 1 3 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.529 0.081 18167 2341 1 3 . 1 1 73 73 ASP C C 91 177.133 177.133 177.960 -0.827 18167 2342 1 3 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.550 0.051 18167 2343 1 3 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.705 0.968 18167 2344 1 3 . 1 1 73 73 ASP H H 91 7.805 7.805 8.074 -0.269 18167 2345 1 3 . 1 1 74 74 LEU N N 92 120.238 120.238 119.608 0.630 18167 2346 1 3 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.089 0.132 18167 2347 1 3 . 1 1 74 74 LEU C C 92 176.907 176.907 177.108 -0.201 18167 2348 1 3 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.493 -0.850 18167 2349 1 3 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.810 -1.486 18167 2350 1 3 . 1 1 74 74 LEU H H 92 8.182 8.182 8.132 0.050 18167 2351 1 3 . 1 1 75 75 GLY N N 93 105.772 105.772 102.495 3.277 18167 2352 1 3 . 1 1 75 75 GLY C C 93 173.853 173.853 172.251 1.602 18167 2353 1 3 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.761 -0.733 18167 2354 1 3 . 1 1 75 75 GLY H H 93 7.713 7.713 7.441 0.272 18167 2355 1 3 . 1 1 76 76 THR N N 94 111.354 111.354 109.911 1.443 18167 2356 1 3 . 1 1 76 76 THR HA H 94 4.426 4.426 4.821 -0.395 18167 2357 1 3 . 1 1 76 76 THR C C 94 174.396 174.396 176.016 -1.620 18167 2358 1 3 . 1 1 76 76 THR CA C 94 61.220 61.220 60.187 1.033 18167 2359 1 3 . 1 1 76 76 THR CB C 94 71.400 71.400 71.751 -0.351 18167 2360 1 3 . 1 1 76 76 THR H H 94 8.842 8.842 8.246 0.596 18167 2361 1 3 . 1 1 77 77 ALA N N 95 122.586 122.586 123.380 -0.794 18167 2362 1 3 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.812 -0.486 18167 2363 1 3 . 1 1 77 77 ALA C C 95 179.120 179.120 179.455 -0.335 18167 2364 1 3 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.513 0.111 18167 2365 1 3 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.594 -0.615 18167 2366 1 3 . 1 1 77 77 ALA H H 95 8.861 8.861 8.878 -0.017 18167 2367 1 3 . 1 1 78 78 THR N N 96 110.298 110.298 114.702 -4.404 18167 2368 1 3 . 1 1 78 78 THR HA H 96 3.479 3.479 3.985 -0.506 18167 2369 1 3 . 1 1 78 78 THR C C 96 175.297 175.297 176.710 -1.413 18167 2370 1 3 . 1 1 78 78 THR CA C 96 66.314 66.314 66.833 -0.519 18167 2371 1 3 . 1 1 78 78 THR CB C 96 68.335 68.335 68.571 -0.236 18167 2372 1 3 . 1 1 78 78 THR H H 96 7.757 7.757 7.760 -0.003 18167 2373 1 3 . 1 1 79 79 ASP N N 97 122.829 122.829 122.712 0.117 18167 2374 1 3 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.590 -0.178 18167 2375 1 3 . 1 1 79 79 ASP C C 97 179.693 179.693 178.735 0.958 18167 2376 1 3 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.748 0.246 18167 2377 1 3 . 1 1 79 79 ASP CB C 97 40.531 40.531 41.024 -0.493 18167 2378 1 3 . 1 1 79 79 ASP H H 97 7.448 7.448 8.039 -0.591 18167 2379 1 3 . 1 1 80 80 VAL N N 98 121.175 121.175 119.294 1.881 18167 2380 1 3 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.630 -0.148 18167 2381 1 3 . 1 1 80 80 VAL C C 98 178.667 178.667 178.035 0.632 18167 2382 1 3 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.698 -0.141 18167 2383 1 3 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.830 -0.322 18167 2384 1 3 . 1 1 80 80 VAL H H 98 8.390 8.390 8.830 -0.440 18167 2385 1 3 . 1 1 81 81 GLY N N 99 108.920 108.920 108.088 0.832 18167 2386 1 3 . 1 1 81 81 GLY C C 99 175.133 175.133 176.122 -0.989 18167 2387 1 3 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.364 1.686 18167 2388 1 3 . 1 1 81 81 GLY H H 99 8.630 8.630 7.868 0.762 18167 2389 1 3 . 1 1 82 82 TYR N N 100 121.598 121.598 121.988 -0.390 18167 2390 1 3 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.361 -0.033 18167 2391 1 3 . 1 1 82 82 TYR C C 100 179.383 179.383 178.555 0.828 18167 2392 1 3 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.386 0.353 18167 2393 1 3 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.218 -1.119 18167 2394 1 3 . 1 1 82 82 TYR H H 100 8.880 8.880 7.902 0.978 18167 2395 1 3 . 1 1 83 83 ARG N N 101 121.436 121.436 119.172 2.264 18167 2396 1 3 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.022 0.065 18167 2397 1 3 . 1 1 83 83 ARG C C 101 178.906 178.906 178.739 0.167 18167 2398 1 3 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.995 0.552 18167 2399 1 3 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.719 -0.096 18167 2400 1 3 . 1 1 83 83 ARG H H 101 8.102 8.102 8.479 -0.377 18167 2401 1 3 . 1 1 84 84 PHE N N 102 121.581 121.581 122.254 -0.673 18167 2402 1 3 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.260 0.127 18167 2403 1 3 . 1 1 84 84 PHE C C 102 177.731 177.731 177.305 0.426 18167 2404 1 3 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.155 -1.149 18167 2405 1 3 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.992 -0.751 18167 2406 1 3 . 1 1 84 84 PHE H H 102 8.511 8.511 8.847 -0.336 18167 2407 1 3 . 1 1 85 85 MET N N 103 117.909 117.909 117.871 0.038 18167 2408 1 3 . 1 1 85 85 MET HA H 103 3.850 3.850 3.845 0.005 18167 2409 1 3 . 1 1 85 85 MET C C 103 178.063 178.063 178.291 -0.228 18167 2410 1 3 . 1 1 85 85 MET CA C 103 57.352 57.352 57.535 -0.183 18167 2411 1 3 . 1 1 85 85 MET CB C 103 33.654 33.654 31.176 2.478 18167 2412 1 3 . 1 1 85 85 MET H H 103 8.350 8.350 7.686 0.664 18167 2413 1 3 . 1 1 86 86 LYS N N 104 118.874 118.874 120.208 -1.334 18167 2414 1 3 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.997 0.007 18167 2415 1 3 . 1 1 86 86 LYS C C 104 177.910 177.910 179.084 -1.174 18167 2416 1 3 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.442 0.006 18167 2417 1 3 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.040 -0.355 18167 2418 1 3 . 1 1 86 86 LYS H H 104 7.578 7.578 7.793 -0.215 18167 2419 1 3 . 1 1 87 87 THR N N 105 114.567 114.567 116.046 -1.479 18167 2420 1 3 . 1 1 87 87 THR HA H 105 3.949 3.949 3.948 0.001 18167 2421 1 3 . 1 1 87 87 THR C C 105 176.912 176.912 176.446 0.466 18167 2422 1 3 . 1 1 87 87 THR CA C 105 66.108 66.108 66.659 -0.551 18167 2423 1 3 . 1 1 87 87 THR CB C 105 68.909 68.909 68.478 0.431 18167 2424 1 3 . 1 1 87 87 THR H H 105 7.667 7.667 7.686 -0.019 18167 2425 1 3 . 1 1 88 88 VAL N N 106 122.160 122.160 120.539 1.621 18167 2426 1 3 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.539 -0.048 18167 2427 1 3 . 1 1 88 88 VAL C C 106 178.950 178.950 178.314 0.636 18167 2428 1 3 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.868 -0.044 18167 2429 1 3 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.035 0.475 18167 2430 1 3 . 1 1 88 88 VAL H H 106 7.600 7.600 7.847 -0.247 18167 2431 1 3 . 1 1 89 89 ASN N N 107 120.741 120.741 118.900 1.841 18167 2432 1 3 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.360 0.130 18167 2433 1 3 . 1 1 89 89 ASN C C 107 178.483 178.483 176.911 1.572 18167 2434 1 3 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.526 0.416 18167 2435 1 3 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.615 0.275 18167 2436 1 3 . 1 1 89 89 ASN H H 107 8.501 8.501 8.353 0.148 18167 2437 1 3 . 1 1 90 90 ASP N N 108 121.211 121.211 120.072 1.139 18167 2438 1 3 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.347 0.133 18167 2439 1 3 . 1 1 90 90 ASP C C 108 177.598 177.598 177.058 0.540 18167 2440 1 3 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.849 -0.482 18167 2441 1 3 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.676 -0.434 18167 2442 1 3 . 1 1 90 90 ASP H H 108 8.824 8.824 8.228 0.596 18167 2443 1 3 . 1 1 91 91 ALA N N 109 121.181 121.181 116.555 4.626 18167 2444 1 3 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.370 0.022 18167 2445 1 3 . 1 1 91 91 ALA C C 109 177.936 177.936 177.209 0.727 18167 2446 1 3 . 1 1 91 91 ALA CA C 109 52.692 52.692 52.319 0.373 18167 2447 1 3 . 1 1 91 91 ALA CB C 109 18.889 18.889 20.535 -1.646 18167 2448 1 3 . 1 1 91 91 ALA H H 109 7.507 7.507 7.407 0.100 18167 2449 1 3 . 1 1 92 92 SER N N 110 113.785 113.785 113.265 0.520 18167 2450 1 3 . 1 1 92 92 SER HA H 110 4.537 4.537 4.678 -0.141 18167 2451 1 3 . 1 1 92 92 SER C C 110 174.252 174.252 175.179 -0.927 18167 2452 1 3 . 1 1 92 92 SER CA C 110 58.565 58.565 58.327 0.238 18167 2453 1 3 . 1 1 92 92 SER CB C 110 64.795 64.795 64.110 0.685 18167 2454 1 3 . 1 1 92 92 SER H H 110 7.611 7.611 7.520 0.091 18167 2455 1 3 . 1 1 93 93 GLN N N 111 119.994 119.994 118.573 1.421 18167 2456 1 3 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.399 0.024 18167 2457 1 3 . 1 1 93 93 GLN C C 111 176.441 176.441 177.179 -0.738 18167 2458 1 3 . 1 1 93 93 GLN CA C 111 55.792 55.792 56.623 -0.831 18167 2459 1 3 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.549 0.294 18167 2460 1 3 . 1 1 93 93 GLN H H 111 8.414 8.414 7.956 0.458 18167 2461 1 3 . 1 1 94 94 GLY N N 112 107.948 107.948 110.560 -2.612 18167 2462 1 3 . 1 1 94 94 GLY C C 112 174.406 174.406 174.532 -0.126 18167 2463 1 3 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.370 -0.428 18167 2464 1 3 . 1 1 94 94 GLY H H 112 8.467 8.467 8.433 0.034 18167 2465 1 3 . 1 1 95 95 ASP N N 113 119.500 119.500 120.073 -0.573 18167 2466 1 3 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.764 -0.208 18167 2467 1 3 . 1 1 95 95 ASP C C 113 175.438 175.438 176.040 -0.602 18167 2468 1 3 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.344 0.336 18167 2469 1 3 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.540 -1.346 18167 2470 1 3 . 1 1 95 95 ASP H H 113 8.423 8.423 8.395 0.028 18167 2471 1 3 . 1 1 96 96 ARG N N 114 118.992 118.992 120.073 -1.081 18167 2472 1 3 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.382 0.679 18167 2473 1 3 . 1 1 96 96 ARG C C 114 175.699 175.699 175.348 0.351 18167 2474 1 3 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.723 -1.680 18167 2475 1 3 . 1 1 96 96 ARG CB C 114 32.640 32.640 30.866 1.774 18167 2476 1 3 . 1 1 96 96 ARG H H 114 7.507 7.507 7.886 -0.379 18167 2477 1 3 . 1 1 97 97 GLN N N 115 121.149 121.149 120.493 0.656 18167 2478 1 3 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.660 0.009 18167 2479 1 3 . 1 1 97 97 GLN C C 115 173.696 173.696 174.309 -0.613 18167 2480 1 3 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.481 0.076 18167 2481 1 3 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.233 -1.161 18167 2482 1 3 . 1 1 97 97 GLN H H 115 8.814 8.814 7.989 0.825 18167 2483 1 3 . 1 1 98 98 ALA N N 116 129.789 129.789 127.388 2.401 18167 2484 1 3 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.207 0.109 18167 2485 1 3 . 1 1 98 98 ALA C C 116 176.503 176.503 176.590 -0.087 18167 2486 1 3 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.619 0.195 18167 2487 1 3 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.141 0.901 18167 2488 1 3 . 1 1 98 98 ALA H H 116 9.836 9.836 8.567 1.269 18167 2489 1 3 . 1 1 99 99 GLU N N 117 122.780 122.780 124.378 -1.598 18167 2490 1 3 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.639 -0.036 18167 2491 1 3 . 1 1 99 99 GLU C C 117 174.361 174.361 174.938 -0.577 18167 2492 1 3 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.619 -0.299 18167 2493 1 3 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.889 0.423 18167 2494 1 3 . 1 1 99 99 GLU H H 117 9.252 9.252 8.522 0.730 18167 2495 1 3 . 1 1 100 100 LEU N N 118 127.043 127.043 128.470 -1.427 18167 2496 1 3 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.417 -0.110 18167 2497 1 3 . 1 1 100 100 LEU C C 118 176.338 176.338 176.321 0.017 18167 2498 1 3 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.986 0.536 18167 2499 1 3 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.107 0.534 18167 2500 1 3 . 1 1 100 100 LEU H H 118 8.765 8.765 8.743 0.022 18167 2501 1 3 . 1 1 101 101 ILE N N 119 128.101 128.101 128.059 0.042 18167 2502 1 3 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.873 0.223 18167 2503 1 3 . 1 1 101 101 ILE C C 119 175.634 175.634 176.615 -0.981 18167 2504 1 3 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.218 -0.815 18167 2505 1 3 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.659 0.399 18167 2506 1 3 . 1 1 101 101 ILE H H 119 9.244 9.244 8.598 0.646 18167 2507 1 3 . 1 1 102 102 ASN N N 120 114.715 114.715 115.505 -0.790 18167 2508 1 3 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.828 0.127 18167 2509 1 3 . 1 1 102 102 ASN C C 120 172.326 172.326 172.868 -0.542 18167 2510 1 3 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.706 0.667 18167 2511 1 3 . 1 1 102 102 ASN CB C 120 42.887 42.887 42.141 0.746 18167 2512 1 3 . 1 1 102 102 ASN H H 120 7.989 7.989 7.859 0.130 18167 2513 1 3 . 1 1 103 103 ALA N N 121 125.011 125.011 123.046 1.965 18167 2514 1 3 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.244 0.213 18167 2515 1 3 . 1 1 103 103 ALA C C 121 175.068 175.068 175.556 -0.488 18167 2516 1 3 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.452 -0.093 18167 2517 1 3 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.036 1.373 18167 2518 1 3 . 1 1 103 103 ALA H H 121 8.182 8.182 8.368 -0.186 18167 2519 1 3 . 1 1 104 104 GLU N N 122 121.148 121.148 120.818 0.330 18167 2520 1 3 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.526 0.169 18167 2521 1 3 . 1 1 104 104 GLU C C 122 173.666 173.666 174.119 -0.453 18167 2522 1 3 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.601 0.492 18167 2523 1 3 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.669 -0.159 18167 2524 1 3 . 1 1 104 104 GLU H H 122 8.817 8.817 8.513 0.304 18167 2525 1 3 . 1 1 105 105 ALA N N 123 124.441 124.441 122.995 1.446 18167 2526 1 3 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.420 0.107 18167 2527 1 3 . 1 1 105 105 ALA C C 123 176.479 176.479 176.519 -0.040 18167 2528 1 3 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.712 0.419 18167 2529 1 3 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.817 1.034 18167 2530 1 3 . 1 1 105 105 ALA H H 123 8.860 8.860 8.352 0.508 18167 2531 1 3 . 1 1 106 106 ARG N N 124 120.892 120.892 120.254 0.638 18167 2532 1 3 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.712 0.111 18167 2533 1 3 . 1 1 106 106 ARG C C 124 172.820 172.820 174.475 -1.655 18167 2534 1 3 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.129 -0.357 18167 2535 1 3 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.933 -0.663 18167 2536 1 3 . 1 1 106 106 ARG H H 124 9.209 9.209 9.051 0.158 18167 2537 1 3 . 1 1 107 107 ASP N N 125 122.706 122.706 123.752 -1.046 18167 2538 1 3 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.676 -0.437 18167 2539 1 3 . 1 1 107 107 ASP C C 125 176.097 176.097 175.696 0.401 18167 2540 1 3 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.001 -0.057 18167 2541 1 3 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.991 1.147 18167 2542 1 3 . 1 1 107 107 ASP H H 125 8.633 8.633 8.696 -0.063 18167 2543 1 3 . 1 1 108 108 GLU N N 126 126.120 126.120 125.460 0.660 18167 2544 1 3 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.685 0.020 18167 2545 1 3 . 1 1 108 108 GLU C C 126 175.768 175.768 176.237 -0.469 18167 2546 1 3 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.526 -0.509 18167 2547 1 3 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.622 -3.198 18167 2548 1 3 . 1 1 108 108 GLU H H 126 9.152 9.152 9.238 -0.086 18167 2549 1 3 . 1 1 109 109 ASP N N 127 126.277 126.277 123.301 2.976 18167 2550 1 3 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.376 -0.022 18167 2551 1 3 . 1 1 109 109 ASP C C 127 175.414 175.414 176.458 -1.044 18167 2552 1 3 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.072 0.318 18167 2553 1 3 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.266 -0.024 18167 2554 1 3 . 1 1 109 109 ASP H H 127 9.067 9.067 9.242 -0.175 18167 2555 1 3 . 1 1 110 110 GLY N N 128 106.859 106.859 103.685 3.174 18167 2556 1 3 . 1 1 110 110 GLY C C 128 173.761 173.761 174.365 -0.604 18167 2557 1 3 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.126 0.117 18167 2558 1 3 . 1 1 110 110 GLY H H 128 9.008 9.008 8.685 0.323 18167 2559 1 3 . 1 1 111 111 GLN N N 129 123.033 123.033 120.444 2.589 18167 2560 1 3 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.556 -0.173 18167 2561 1 3 . 1 1 111 111 GLN C C 129 173.901 173.901 174.374 -0.473 18167 2562 1 3 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.282 -0.346 18167 2563 1 3 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.160 -1.977 18167 2564 1 3 . 1 1 111 111 GLN H H 129 7.825 7.825 8.302 -0.477 18167 2565 1 3 . 1 1 112 112 VAL N N 130 128.263 128.263 121.436 6.827 18167 2566 1 3 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.681 0.191 18167 2567 1 3 . 1 1 112 112 VAL C C 130 175.591 175.591 174.844 0.747 18167 2568 1 3 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.330 0.773 18167 2569 1 3 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.099 -0.726 18167 2570 1 3 . 1 1 112 112 VAL H H 130 8.330 8.330 8.257 0.073 18167 2571 1 3 . 1 1 113 113 TYR N N 131 126.702 126.702 125.074 1.628 18167 2572 1 3 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.979 0.071 18167 2573 1 3 . 1 1 113 113 TYR C C 131 175.477 175.477 174.980 0.497 18167 2574 1 3 . 1 1 113 113 TYR CA C 131 56.423 56.423 55.993 0.430 18167 2575 1 3 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.705 0.784 18167 2576 1 3 . 1 1 113 113 TYR H H 131 9.136 9.136 9.279 -0.143 18167 2577 1 3 . 1 1 114 114 TYR N N 132 121.626 121.626 124.011 -2.385 18167 2578 1 3 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.092 0.738 18167 2579 1 3 . 1 1 114 114 TYR C C 132 175.368 175.368 175.555 -0.187 18167 2580 1 3 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.992 -1.924 18167 2581 1 3 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.916 -0.599 18167 2582 1 3 . 1 1 114 114 TYR H H 132 9.577 9.577 9.556 0.021 18167 2583 1 3 . 1 1 115 115 THR N N 133 120.018 120.018 122.215 -2.197 18167 2584 1 3 . 1 1 115 115 THR HA H 133 5.486 5.486 4.545 0.941 18167 2585 1 3 . 1 1 115 115 THR C C 133 174.327 174.327 172.789 1.538 18167 2586 1 3 . 1 1 115 115 THR CA C 133 61.648 61.648 62.189 -0.541 18167 2587 1 3 . 1 1 115 115 THR CB C 133 69.622 69.622 69.805 -0.183 18167 2588 1 3 . 1 1 115 115 THR H H 133 9.351 9.351 9.306 0.045 18167 2589 1 3 . 1 1 116 116 LEU N N 134 127.249 127.249 128.617 -1.368 18167 2590 1 3 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.763 0.532 18167 2591 1 3 . 1 1 116 116 LEU C C 134 174.347 174.347 174.346 0.001 18167 2592 1 3 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.269 -1.641 18167 2593 1 3 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.968 -0.433 18167 2594 1 3 . 1 1 116 116 LEU H H 134 10.010 10.010 9.329 0.681 18167 2595 1 3 . 1 1 117 117 GLU N N 135 124.969 124.969 125.324 -0.355 18167 2596 1 3 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.777 0.801 18167 2597 1 3 . 1 1 117 117 GLU C C 135 175.635 175.635 174.921 0.714 18167 2598 1 3 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.795 -0.656 18167 2599 1 3 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.747 -0.584 18167 2600 1 3 . 1 1 117 117 GLU H H 135 9.109 9.109 8.965 0.144 18167 2601 1 3 . 1 1 118 118 TYR N N 136 125.868 125.868 122.959 2.909 18167 2602 1 3 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.518 -0.243 18167 2603 1 3 . 1 1 118 118 TYR C C 136 170.317 170.317 172.632 -2.315 18167 2604 1 3 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.142 -0.131 18167 2605 1 3 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.084 0.432 18167 2606 1 3 . 1 1 118 118 TYR H H 136 8.973 8.973 8.711 0.262 18167 2607 1 3 . 1 1 119 119 ARG N N 137 115.256 115.256 117.349 -2.093 18167 2608 1 3 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.524 0.553 18167 2609 1 3 . 1 1 119 119 ARG C C 137 173.643 173.643 174.312 -0.669 18167 2610 1 3 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.564 -1.441 18167 2611 1 3 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.629 -1.444 18167 2612 1 3 . 1 1 119 119 ARG H H 137 8.920 8.920 8.723 0.197 18167 2613 1 3 . 1 1 120 120 VAL N N 138 119.767 119.767 116.821 2.946 18167 2614 1 3 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.190 -0.404 18167 2615 1 3 . 1 1 120 120 VAL C C 138 174.355 174.355 174.433 -0.078 18167 2616 1 3 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.197 1.586 18167 2617 1 3 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.623 0.539 18167 2618 1 3 . 1 1 120 120 VAL H H 138 8.430 8.430 8.302 0.128 18167 2619 1 3 . 1 1 121 121 LEU N N 139 129.915 129.915 123.268 6.647 18167 2620 1 3 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.178 -0.093 18167 2621 1 3 . 1 1 121 121 LEU C C 139 176.376 176.376 175.006 1.370 18167 2622 1 3 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.053 0.606 18167 2623 1 3 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.178 -1.056 18167 2624 1 3 . 1 1 121 121 LEU H H 139 9.333 9.333 8.351 0.982 18167 2625 1 3 . 1 1 122 122 VAL N N 140 120.956 120.956 122.403 -1.447 18167 2626 1 3 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.339 0.036 18167 2627 1 3 . 1 1 122 122 VAL C C 140 177.264 177.264 176.944 0.320 18167 2628 1 3 . 1 1 122 122 VAL CA C 140 61.468 61.468 61.199 0.269 18167 2629 1 3 . 1 1 122 122 VAL CB C 140 32.874 32.874 32.827 0.047 18167 2630 1 3 . 1 1 122 122 VAL H H 140 8.655 8.655 8.063 0.592 18167 2631 1 3 . 1 1 123 123 GLY N N 141 119.059 119.059 118.235 0.824 18167 2632 1 3 . 1 1 123 123 GLY C C 141 174.482 174.482 173.946 0.536 18167 2633 1 3 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.782 0.386 18167 2634 1 3 . 1 1 123 123 GLY H H 141 8.940 8.940 8.820 0.120 18167 2635 1 3 . 1 1 124 124 ASP N N 142 124.652 124.652 125.345 -0.693 18167 2636 1 3 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.740 -0.106 18167 2637 1 3 . 1 1 124 124 ASP C C 142 175.588 175.588 175.114 0.474 18167 2638 1 3 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.339 1.051 18167 2639 1 3 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.242 0.022 18167 2640 1 3 . 1 1 124 124 ASP H H 142 8.722 8.722 8.533 0.189 18167 2641 1 3 . 1 1 125 125 ASN N N 143 118.203 118.203 117.848 0.355 18167 2642 1 3 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.997 -0.070 18167 2643 1 3 . 1 1 125 125 ASN C C 143 174.095 174.095 173.453 0.642 18167 2644 1 3 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.347 0.059 18167 2645 1 3 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.797 -0.734 18167 2646 1 3 . 1 1 125 125 ASN H H 143 8.023 8.023 8.195 -0.172 18167 2647 1 3 . 1 1 126 126 VAL N N 144 123.424 123.424 121.039 2.385 18167 2648 1 3 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.064 0.016 18167 2649 1 3 . 1 1 126 126 VAL C C 144 175.767 175.767 174.933 0.834 18167 2650 1 3 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.477 0.832 18167 2651 1 3 . 1 1 126 126 VAL H H 144 8.857 8.857 8.495 0.362 18167 2652 1 3 . 1 1 127 127 GLU N N 145 130.709 130.709 129.167 1.542 18167 2653 1 3 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.187 0.218 18167 2654 1 3 . 1 1 127 127 GLU C C 145 176.522 176.522 176.148 0.374 18167 2655 1 3 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.559 -0.595 18167 2656 1 3 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.196 1.159 18167 2657 1 3 . 1 1 127 127 GLU H H 145 9.487 9.487 8.871 0.616 18167 2658 1 3 . 1 1 128 128 ARG N N 146 113.222 113.222 111.893 1.329 18167 2659 1 3 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.443 0.618 18167 2660 1 3 . 1 1 128 128 ARG C C 146 172.055 172.055 173.980 -1.925 18167 2661 1 3 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.322 -0.941 18167 2662 1 3 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.562 1.429 18167 2663 1 3 . 1 1 128 128 ARG H H 146 7.657 7.657 7.583 0.074 18167 2664 1 3 . 1 1 129 129 HIS N N 147 125.158 125.158 117.271 7.887 18167 2665 1 3 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.389 0.243 18167 2666 1 3 . 1 1 129 129 HIS C C 147 172.407 172.407 172.958 -0.551 18167 2667 1 3 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.816 -0.620 18167 2668 1 3 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.588 0.348 18167 2669 1 3 . 1 1 129 129 HIS H H 147 9.295 9.295 8.159 1.136 18167 2670 1 3 . 1 1 130 130 ASP N N 148 122.383 122.383 120.879 1.504 18167 2671 1 3 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.960 1.167 18167 2672 1 3 . 1 1 130 130 ASP C C 148 174.350 174.350 173.588 0.762 18167 2673 1 3 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.720 -0.773 18167 2674 1 3 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.121 -1.153 18167 2675 1 3 . 1 1 130 130 ASP H H 148 8.879 8.879 8.317 0.562 18167 2676 1 3 . 1 1 131 131 LEU N N 149 121.444 121.444 124.109 -2.665 18167 2677 1 3 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.928 0.361 18167 2678 1 3 . 1 1 131 131 LEU C C 149 174.289 174.289 174.147 0.142 18167 2679 1 3 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.243 0.615 18167 2680 1 3 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.109 1.759 18167 2681 1 3 . 1 1 131 131 LEU H H 149 8.916 8.916 8.130 0.786 18167 2682 1 3 . 1 1 132 132 ALA N N 150 128.498 128.498 128.252 0.246 18167 2683 1 3 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.674 0.356 18167 2684 1 3 . 1 1 132 132 ALA C C 150 176.044 176.044 175.685 0.359 18167 2685 1 3 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.219 -0.818 18167 2686 1 3 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.938 -1.115 18167 2687 1 3 . 1 1 132 132 ALA H H 150 9.920 9.920 9.321 0.599 18167 2688 1 3 . 1 1 133 133 SER N N 151 116.937 116.937 117.699 -0.762 18167 2689 1 3 . 1 1 133 133 SER HA H 151 5.812 5.812 5.482 0.330 18167 2690 1 3 . 1 1 133 133 SER C C 151 173.367 173.367 173.549 -0.182 18167 2691 1 3 . 1 1 133 133 SER CA C 151 56.394 56.394 57.085 -0.691 18167 2692 1 3 . 1 1 133 133 SER CB C 151 65.448 65.448 65.929 -0.481 18167 2693 1 3 . 1 1 133 133 SER H H 151 9.360 9.360 8.324 1.036 18167 2694 1 3 . 1 1 134 134 VAL N N 152 126.011 126.011 125.436 0.575 18167 2695 1 3 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.826 0.583 18167 2696 1 3 . 1 1 134 134 VAL C C 152 175.735 175.735 174.828 0.907 18167 2697 1 3 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.111 -0.948 18167 2698 1 3 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.475 1.445 18167 2699 1 3 . 1 1 134 134 VAL H H 152 9.558 9.558 9.221 0.337 18167 2700 1 3 . 1 1 135 135 THR N N 153 118.998 118.998 122.484 -3.486 18167 2701 1 3 . 1 1 135 135 THR HA H 153 4.723 4.723 4.909 -0.186 18167 2702 1 3 . 1 1 135 135 THR C C 153 171.746 171.746 173.279 -1.533 18167 2703 1 3 . 1 1 135 135 THR CA C 153 61.221 61.221 61.449 -0.228 18167 2704 1 3 . 1 1 135 135 THR CB C 153 69.300 69.300 72.801 -3.501 18167 2705 1 3 . 1 1 135 135 THR H H 153 8.960 8.960 9.032 -0.072 18167 2706 1 3 . 1 1 136 136 THR N N 154 109.883 109.883 115.821 -5.938 18167 2707 1 3 . 1 1 136 136 THR HA H 154 5.636 5.636 5.331 0.305 18167 2708 1 3 . 1 1 136 136 THR C C 154 173.904 173.904 173.975 -0.071 18167 2709 1 3 . 1 1 136 136 THR CA C 154 58.391 58.391 59.530 -1.139 18167 2710 1 3 . 1 1 136 136 THR CB C 154 71.387 71.387 70.569 0.818 18167 2711 1 3 . 1 1 136 136 THR H H 154 7.940 7.940 8.488 -0.548 18167 2712 1 3 . 1 1 137 137 ASN N N 155 115.138 115.138 121.157 -6.019 18167 2713 1 3 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.835 0.071 18167 2714 1 3 . 1 1 137 137 ASN C C 155 174.994 174.994 175.054 -0.060 18167 2715 1 3 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.181 1.164 18167 2716 1 3 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.333 1.474 18167 2717 1 3 . 1 1 137 137 ASN H H 155 8.938 8.938 8.489 0.449 18167 2718 1 3 . 1 1 138 138 ARG N N 156 125.040 125.040 126.621 -1.581 18167 2719 1 3 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.051 -0.094 18167 2720 1 3 . 1 1 138 138 ARG C C 156 175.870 175.870 175.858 0.012 18167 2721 1 3 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.196 -0.072 18167 2722 1 3 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.936 -1.277 18167 2723 1 3 . 1 1 138 138 ARG H H 156 9.364 9.364 8.890 0.474 18167 2724 1 3 . 1 1 139 139 GLY N N 157 104.408 104.408 102.146 2.262 18167 2725 1 3 . 1 1 139 139 GLY C C 157 173.563 173.563 174.017 -0.454 18167 2726 1 3 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.039 0.782 18167 2727 1 3 . 1 1 139 139 GLY H H 157 8.862 8.862 8.372 0.490 18167 2728 1 3 . 1 1 140 140 LYS N N 158 117.999 117.999 121.666 -3.667 18167 2729 1 3 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.572 0.388 18167 2730 1 3 . 1 1 140 140 LYS C C 158 174.527 174.527 175.286 -0.759 18167 2731 1 3 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.079 -1.357 18167 2732 1 3 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.099 1.765 18167 2733 1 3 . 1 1 140 140 LYS H H 158 7.718 7.718 7.511 0.207 18167 2734 1 3 . 1 1 141 141 LEU N N 159 124.332 124.332 127.110 -2.778 18167 2735 1 3 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.462 0.168 18167 2736 1 3 . 1 1 141 141 LEU C C 159 175.337 175.337 175.170 0.167 18167 2737 1 3 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.344 -0.106 18167 2738 1 3 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.210 0.662 18167 2739 1 3 . 1 1 141 141 LEU H H 159 9.006 9.006 9.103 -0.097 18167 2740 1 3 . 1 1 142 142 ILE N N 160 128.619 128.619 127.498 1.121 18167 2741 1 3 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.469 0.260 18167 2742 1 3 . 1 1 142 142 ILE C C 160 173.414 173.414 174.609 -1.195 18167 2743 1 3 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.369 0.864 18167 2744 1 3 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.901 -0.717 18167 2745 1 3 . 1 1 142 142 ILE H H 160 9.129 9.129 9.051 0.078 18167 2746 1 3 . 1 1 143 143 THR N N 161 122.266 122.266 122.487 -0.221 18167 2747 1 3 . 1 1 143 143 THR HA H 161 4.797 4.797 5.302 -0.505 18167 2748 1 3 . 1 1 143 143 THR C C 161 171.903 171.903 173.201 -1.298 18167 2749 1 3 . 1 1 143 143 THR CA C 161 61.666 61.666 61.044 0.622 18167 2750 1 3 . 1 1 143 143 THR CB C 161 70.025 70.025 71.495 -1.470 18167 2751 1 3 . 1 1 143 143 THR H H 161 8.818 8.818 8.423 0.395 18167 2752 1 3 . 1 1 144 144 PHE N N 162 130.742 130.742 126.114 4.628 18167 2753 1 3 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.714 0.076 18167 2754 1 3 . 1 1 144 144 PHE C C 162 173.404 173.404 173.415 -0.011 18167 2755 1 3 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.742 -1.522 18167 2756 1 3 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.639 -1.899 18167 2757 1 3 . 1 1 144 144 PHE H H 162 9.219 9.219 8.755 0.464 18167 2758 1 3 . 1 1 145 145 ASP N N 163 127.154 127.154 127.391 -0.237 18167 2759 1 3 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.148 -0.192 18167 2760 1 3 . 1 1 145 145 ASP C C 163 174.933 174.933 174.534 0.399 18167 2761 1 3 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.832 0.578 18167 2762 1 3 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.817 0.507 18167 2763 1 3 . 1 1 145 145 ASP H H 163 8.862 8.862 8.546 0.316 18167 2764 1 3 . 1 1 146 146 LEU N N 164 131.658 131.658 127.935 3.723 18167 2765 1 3 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.809 -0.214 18167 2766 1 3 . 1 1 146 146 LEU C C 164 174.511 174.511 175.525 -1.014 18167 2767 1 3 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.450 -0.479 18167 2768 1 3 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.595 -2.498 18167 2769 1 3 . 1 1 146 146 LEU H H 164 8.938 8.938 8.541 0.397 18167 2770 1 3 . 1 1 147 147 SER N N 165 114.966 114.966 118.063 -3.097 18167 2771 1 3 . 1 1 147 147 SER HA H 165 5.186 5.186 5.178 0.008 18167 2772 1 3 . 1 1 147 147 SER C C 165 173.417 173.417 173.609 -0.192 18167 2773 1 3 . 1 1 147 147 SER CA C 165 56.600 56.600 57.388 -0.788 18167 2774 1 3 . 1 1 147 147 SER CB C 165 67.205 67.205 66.259 0.946 18167 2775 1 3 . 1 1 147 147 SER H H 165 8.995 8.995 8.635 0.360 18167 2776 1 3 . 1 1 148 148 THR N N 166 118.620 118.620 118.578 0.042 18167 2777 1 3 . 1 1 148 148 THR HA H 166 5.144 5.144 4.657 0.487 18167 2778 1 3 . 1 1 148 148 THR C C 166 173.151 173.151 172.431 0.720 18167 2779 1 3 . 1 1 148 148 THR CA C 166 60.362 60.362 61.436 -1.074 18167 2780 1 3 . 1 1 148 148 THR CB C 166 69.214 69.214 72.849 -3.635 18167 2781 1 3 . 1 1 148 148 THR H H 166 8.614 8.614 8.009 0.605 18167 2782 1 3 . 1 1 149 149 ALA N N 167 124.595 124.595 124.751 -0.156 18167 2783 1 3 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.233 0.372 18167 2784 1 3 . 1 1 149 149 ALA C C 167 179.460 179.460 178.591 0.869 18167 2785 1 3 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.464 -0.908 18167 2786 1 3 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.607 0.651 18167 2787 1 3 . 1 1 149 149 ALA H H 167 8.107 8.107 8.689 -0.582 18167 2788 1 3 . 1 1 150 150 GLU N N 168 123.906 123.906 122.340 1.566 18167 2789 1 3 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.835 0.663 18167 2790 1 3 . 1 1 150 150 GLU C C 168 178.587 178.587 177.565 1.022 18167 2791 1 3 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.822 0.124 18167 2792 1 3 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.077 -0.370 18167 2793 1 3 . 1 1 150 150 GLU H H 168 8.471 8.471 8.924 -0.453 18167 2794 1 3 . 1 1 151 151 ASP N N 169 114.005 114.005 119.167 -5.162 18167 2795 1 3 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.449 0.034 18167 2796 1 3 . 1 1 151 151 ASP C C 169 177.260 177.260 177.519 -0.259 18167 2797 1 3 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.426 -0.508 18167 2798 1 3 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.253 -0.168 18167 2799 1 3 . 1 1 151 151 ASP H H 169 8.575 8.575 8.721 -0.146 18167 2800 1 3 . 1 1 152 152 ARG N N 170 118.283 118.283 116.903 1.380 18167 2801 1 3 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.679 -0.348 18167 2802 1 3 . 1 1 152 152 ARG C C 170 177.094 177.094 177.262 -0.168 18167 2803 1 3 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.657 0.179 18167 2804 1 3 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.499 0.485 18167 2805 1 3 . 1 1 152 152 ARG H H 170 7.663 7.663 7.563 0.100 18167 2806 1 3 . 1 1 153 153 TRP N N 171 122.336 122.336 123.190 -0.854 18167 2807 1 3 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.502 -0.592 18167 2808 1 3 . 1 1 153 153 TRP C C 171 175.820 175.820 176.090 -0.270 18167 2809 1 3 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.454 -0.578 18167 2810 1 3 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.359 0.049 18167 2811 1 3 . 1 1 153 153 TRP H H 171 7.689 7.689 7.812 -0.123 18167 2812 1 3 . 1 1 154 154 ASP N N 172 114.179 114.179 116.819 -2.640 18167 2813 1 3 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.561 -0.544 18167 2814 1 3 . 1 1 154 154 ASP C C 172 178.442 178.442 179.214 -0.772 18167 2815 1 3 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.905 0.598 18167 2816 1 3 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.738 -0.574 18167 2817 1 3 . 1 1 154 154 ASP H H 172 8.690 8.690 8.449 0.241 18167 2818 1 3 . 1 1 155 155 THR N N 173 114.661 114.661 116.487 -1.826 18167 2819 1 3 . 1 1 155 155 THR HA H 173 3.990 3.990 4.151 -0.161 18167 2820 1 3 . 1 1 155 155 THR C C 173 175.985 175.985 175.960 0.025 18167 2821 1 3 . 1 1 155 155 THR CA C 173 65.585 65.585 65.506 0.079 18167 2822 1 3 . 1 1 155 155 THR CB C 173 69.076 69.076 69.108 -0.032 18167 2823 1 3 . 1 1 155 155 THR H H 173 7.635 7.635 7.855 -0.220 18167 2824 1 3 . 1 1 156 156 VAL N N 174 113.687 113.687 114.694 -1.007 18167 2825 1 3 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.292 -0.015 18167 2826 1 3 . 1 1 156 156 VAL C C 174 176.185 176.185 175.052 1.133 18167 2827 1 3 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.176 1.268 18167 2828 1 3 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.393 2.760 18167 2829 1 3 . 1 1 156 156 VAL H H 174 7.447 7.447 7.795 -0.348 18167 2830 1 3 . 1 1 157 157 LYS N N 175 123.084 123.084 120.913 2.171 18167 2831 1 3 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.450 -0.606 18167 2832 1 3 . 1 1 157 157 LYS C C 175 177.321 177.321 177.956 -0.635 18167 2833 1 3 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.740 0.479 18167 2834 1 3 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.519 -1.324 18167 2835 1 3 . 1 1 157 157 LYS H H 175 7.548 7.548 7.023 0.525 18167 2836 1 3 . 1 1 158 158 SER N N 176 114.046 114.046 115.461 -1.415 18167 2837 1 3 . 1 1 158 158 SER HA H 176 3.820 3.820 4.187 -0.367 18167 2838 1 3 . 1 1 158 158 SER C C 176 176.927 176.927 176.254 0.673 18167 2839 1 3 . 1 1 158 158 SER CA C 176 61.600 61.600 60.078 1.522 18167 2840 1 3 . 1 1 158 158 SER CB C 176 62.048 62.048 62.736 -0.688 18167 2841 1 3 . 1 1 158 158 SER H H 176 8.161 8.161 8.046 0.115 18167 2842 1 3 . 1 1 159 159 LEU N N 177 126.125 126.125 122.530 3.595 18167 2843 1 3 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.782 0.391 18167 2844 1 3 . 1 1 159 159 LEU C C 177 178.403 178.403 177.761 0.642 18167 2845 1 3 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.842 -0.140 18167 2846 1 3 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.330 -0.254 18167 2847 1 3 . 1 1 159 159 LEU H H 177 7.587 7.587 6.973 0.614 18167 2848 1 3 . 1 1 160 160 PHE N N 178 119.582 119.582 117.138 2.444 18167 2849 1 3 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.949 0.333 18167 2850 1 3 . 1 1 160 160 PHE C C 178 177.277 177.277 177.809 -0.532 18167 2851 1 3 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.881 -3.171 18167 2852 1 3 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.644 -2.104 18167 2853 1 3 . 1 1 160 160 PHE H H 178 9.067 9.067 6.721 2.346 18167 2854 1 3 . 1 1 161 161 ASP N N 179 120.599 120.599 119.281 1.318 18167 2855 1 3 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.372 -0.032 18167 2856 1 3 . 1 1 161 161 ASP C C 179 179.216 179.216 178.717 0.499 18167 2857 1 3 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.331 0.571 18167 2858 1 3 . 1 1 161 161 ASP CB C 179 40.957 40.957 41.011 -0.055 18167 2859 1 3 . 1 1 161 161 ASP H H 179 8.578 8.578 7.674 0.904 18167 2860 1 3 . 1 1 162 162 THR N N 180 118.300 118.300 117.057 1.243 18167 2861 1 3 . 1 1 162 162 THR HA H 180 3.849 3.849 3.981 -0.132 18167 2862 1 3 . 1 1 162 162 THR C C 180 176.875 176.875 176.958 -0.083 18167 2863 1 3 . 1 1 162 162 THR CA C 180 66.977 66.977 66.927 0.050 18167 2864 1 3 . 1 1 162 162 THR CB C 180 68.886 68.886 68.729 0.157 18167 2865 1 3 . 1 1 162 162 THR H H 180 7.771 7.771 8.439 -0.668 18167 2866 1 3 . 1 1 163 163 VAL N N 181 123.234 123.234 121.759 1.475 18167 2867 1 3 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.547 0.047 18167 2868 1 3 . 1 1 163 163 VAL C C 181 180.016 180.016 178.002 2.014 18167 2869 1 3 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.607 0.149 18167 2870 1 3 . 1 1 163 163 VAL CB C 181 31.712 31.712 30.712 1.000 18167 2871 1 3 . 1 1 163 163 VAL H H 181 8.831 8.831 8.407 0.424 18167 2872 1 3 . 1 1 164 164 ALA N N 182 124.654 124.654 121.421 3.233 18167 2873 1 3 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.477 0.785 18167 2874 1 3 . 1 1 164 164 ALA C C 182 180.510 180.510 179.486 1.024 18167 2875 1 3 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.734 1.725 18167 2876 1 3 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.150 -0.587 18167 2877 1 3 . 1 1 164 164 ALA H H 182 9.662 9.662 7.790 1.872 18167 2878 1 3 . 1 1 165 165 SER N N 183 112.325 112.325 112.781 -0.456 18167 2879 1 3 . 1 1 165 165 SER HA H 183 4.173 4.173 4.312 -0.139 18167 2880 1 3 . 1 1 165 165 SER C C 183 173.817 173.817 176.289 -2.472 18167 2881 1 3 . 1 1 165 165 SER CA C 183 61.155 61.155 60.810 0.345 18167 2882 1 3 . 1 1 165 165 SER CB C 183 63.140 63.140 63.277 -0.137 18167 2883 1 3 . 1 1 165 165 SER H H 183 7.988 7.988 8.290 -0.302 18167 2884 1 3 . 1 1 166 166 SER N N 184 117.332 117.332 116.063 1.269 18167 2885 1 3 . 1 1 166 166 SER HA H 184 4.356 4.356 4.421 -0.065 18167 2886 1 3 . 1 1 166 166 SER C C 184 174.163 174.163 175.476 -1.313 18167 2887 1 3 . 1 1 166 166 SER CA C 184 59.502 59.502 60.061 -0.559 18167 2888 1 3 . 1 1 166 166 SER CB C 184 63.416 63.416 63.623 -0.207 18167 2889 1 3 . 1 1 166 166 SER H H 184 7.766 7.766 8.417 -0.651 18167 2890 1 3 . 1 1 167 167 PHE N N 185 124.827 124.827 119.985 4.842 18167 2891 1 3 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.758 0.405 18167 2892 1 3 . 1 1 167 167 PHE C C 185 174.545 174.545 175.827 -1.282 18167 2893 1 3 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.543 -0.041 18167 2894 1 3 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.683 -1.293 18167 2895 1 3 . 1 1 167 167 PHE H H 185 7.101 7.101 7.723 -0.622 18167 2896 1 3 . 1 1 168 168 HIS N N 186 127.050 127.050 121.097 5.953 18167 2897 1 3 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.581 0.572 18167 2898 1 3 . 1 1 168 168 HIS C C 186 172.836 172.836 172.895 -0.059 18167 2899 1 3 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.801 -0.645 18167 2900 1 3 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.941 -1.938 18167 2901 1 3 . 1 1 168 168 HIS H H 186 8.645 8.645 8.730 -0.085 18167 2902 1 3 . 1 1 169 169 VAL N N 187 114.268 114.268 118.924 -4.656 18167 2903 1 3 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.055 0.105 18167 2904 1 3 . 1 1 169 169 VAL C C 187 174.449 174.449 174.069 0.380 18167 2905 1 3 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.033 -0.680 18167 2906 1 3 . 1 1 169 169 VAL CB C 187 33.409 33.409 35.008 -1.599 18167 2907 1 3 . 1 1 169 169 VAL H H 187 7.466 7.466 7.414 0.052 18167 2908 1 4 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.396 0.076 18167 2909 1 4 . 1 1 2 2 PRO C C 20 177.006 177.006 176.555 0.451 18167 2910 1 4 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.512 -0.472 18167 2911 1 4 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.281 -0.217 18167 2912 1 4 . 1 1 3 3 LEU N N 21 122.423 122.423 121.173 1.250 18167 2913 1 4 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.410 -0.069 18167 2914 1 4 . 1 1 3 3 LEU C C 21 177.928 177.928 176.895 1.033 18167 2915 1 4 . 1 1 3 3 LEU CA C 21 55.318 55.318 54.673 0.645 18167 2916 1 4 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.388 -0.122 18167 2917 1 4 . 1 1 3 3 LEU H H 21 8.551 8.551 7.539 1.012 18167 2918 1 4 . 1 1 4 4 GLY N N 22 109.759 109.759 110.696 -0.937 18167 2919 1 4 . 1 1 4 4 GLY C C 22 174.309 174.309 172.720 1.589 18167 2920 1 4 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.493 0.737 18167 2921 1 4 . 1 1 4 4 GLY H H 22 8.423 8.423 8.165 0.258 18167 2922 1 4 . 1 1 5 5 SER N N 23 115.538 115.538 114.971 0.567 18167 2923 1 4 . 1 1 5 5 SER HA H 23 4.488 4.488 4.784 -0.296 18167 2924 1 4 . 1 1 5 5 SER C C 23 174.841 174.841 173.093 1.748 18167 2925 1 4 . 1 1 5 5 SER CA C 23 58.329 58.329 57.929 0.399 18167 2926 1 4 . 1 1 5 5 SER CB C 23 63.957 63.957 63.959 -0.002 18167 2927 1 4 . 1 1 5 5 SER H H 23 8.233 8.233 8.271 -0.038 18167 2928 1 4 . 1 1 6 6 CYS N N 24 120.699 120.699 122.940 -2.241 18167 2929 1 4 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.607 -0.065 18167 2930 1 4 . 1 1 6 6 CYS C C 24 175.079 175.079 174.974 0.105 18167 2931 1 4 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.215 -0.499 18167 2932 1 4 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.782 -0.813 18167 2933 1 4 . 1 1 6 6 CYS H H 24 8.493 8.493 8.333 0.160 18167 2934 1 4 . 1 1 7 7 GLY N N 25 110.895 110.895 112.858 -1.963 18167 2935 1 4 . 1 1 7 7 GLY C C 25 174.402 174.402 175.170 -0.768 18167 2936 1 4 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.218 0.260 18167 2937 1 4 . 1 1 7 7 GLY H H 25 8.449 8.449 8.542 -0.093 18167 2938 1 4 . 1 1 8 8 GLY N N 26 108.733 108.733 107.435 1.298 18167 2939 1 4 . 1 1 8 8 GLY C C 26 174.113 174.113 174.803 -0.690 18167 2940 1 4 . 1 1 8 8 GLY CA C 26 45.180 45.180 45.567 -0.387 18167 2941 1 4 . 1 1 8 8 GLY H H 26 8.236 8.236 8.562 -0.326 18167 2942 1 4 . 1 1 9 9 VAL N N 27 118.903 118.903 117.338 1.565 18167 2943 1 4 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.319 -0.195 18167 2944 1 4 . 1 1 9 9 VAL C C 27 176.630 176.630 175.420 1.210 18167 2945 1 4 . 1 1 9 9 VAL CA C 27 62.385 62.385 60.388 1.997 18167 2946 1 4 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.783 -1.262 18167 2947 1 4 . 1 1 9 9 VAL H H 27 8.019 8.019 7.228 0.791 18167 2948 1 4 . 1 1 10 10 GLY N N 28 112.317 112.317 110.590 1.727 18167 2949 1 4 . 1 1 10 10 GLY C C 28 174.378 174.378 175.630 -1.252 18167 2950 1 4 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.150 1.196 18167 2951 1 4 . 1 1 10 10 GLY H H 28 8.483 8.483 8.461 0.022 18167 2952 1 4 . 1 1 11 11 ILE N N 29 119.788 119.788 120.858 -1.070 18167 2953 1 4 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.224 -0.143 18167 2954 1 4 . 1 1 11 11 ILE C C 29 176.168 176.168 175.515 0.653 18167 2955 1 4 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.635 0.777 18167 2956 1 4 . 1 1 11 11 ILE CB C 29 38.557 38.557 35.699 2.858 18167 2957 1 4 . 1 1 11 11 ILE H H 29 7.948 7.948 8.246 -0.298 18167 2958 1 4 . 1 1 12 12 ALA N N 30 126.009 126.009 123.946 2.063 18167 2959 1 4 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.562 -0.274 18167 2960 1 4 . 1 1 12 12 ALA C C 30 177.504 177.504 176.214 1.290 18167 2961 1 4 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.199 1.666 18167 2962 1 4 . 1 1 12 12 ALA CB C 30 18.966 18.966 21.026 -2.060 18167 2963 1 4 . 1 1 12 12 ALA H H 30 8.247 8.247 7.144 1.103 18167 2964 1 4 . 1 1 13 13 SER N N 31 113.949 113.949 115.786 -1.837 18167 2965 1 4 . 1 1 13 13 SER HA H 31 4.392 4.392 4.373 0.019 18167 2966 1 4 . 1 1 13 13 SER C C 31 173.644 173.644 173.413 0.231 18167 2967 1 4 . 1 1 13 13 SER CA C 31 58.329 58.329 58.710 -0.381 18167 2968 1 4 . 1 1 13 13 SER CB C 31 63.609 63.609 63.980 -0.371 18167 2969 1 4 . 1 1 13 13 SER H H 31 8.045 8.045 8.353 -0.308 18167 2970 1 4 . 1 1 14 14 LEU N N 32 122.240 122.240 121.253 0.987 18167 2971 1 4 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.227 0.318 18167 2972 1 4 . 1 1 14 14 LEU C C 32 176.001 176.001 176.437 -0.436 18167 2973 1 4 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.794 0.083 18167 2974 1 4 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.249 0.996 18167 2975 1 4 . 1 1 14 14 LEU H H 32 7.749 7.749 8.125 -0.376 18167 2976 1 4 . 1 1 15 15 GLN N N 33 120.685 120.685 120.435 0.250 18167 2977 1 4 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.531 -0.149 18167 2978 1 4 . 1 1 15 15 GLN C C 33 172.944 172.944 173.962 -1.018 18167 2979 1 4 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.662 -0.201 18167 2980 1 4 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.269 -0.526 18167 2981 1 4 . 1 1 15 15 GLN H H 33 8.780 8.780 8.397 0.383 18167 2982 1 4 . 1 1 16 16 ARG N N 34 120.341 120.341 120.077 0.264 18167 2983 1 4 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.886 0.018 18167 2984 1 4 . 1 1 16 16 ARG C C 34 175.846 175.846 174.714 1.132 18167 2985 1 4 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.879 0.822 18167 2986 1 4 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.921 -0.179 18167 2987 1 4 . 1 1 16 16 ARG H H 34 8.274 8.274 8.374 -0.100 18167 2988 1 4 . 1 1 17 17 TYR N N 35 128.733 128.733 124.806 3.927 18167 2989 1 4 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.748 -0.190 18167 2990 1 4 . 1 1 17 17 TYR C C 35 173.307 173.307 173.019 0.288 18167 2991 1 4 . 1 1 17 17 TYR CA C 35 57.733 57.733 58.034 -0.301 18167 2992 1 4 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.922 -0.339 18167 2993 1 4 . 1 1 17 17 TYR H H 35 9.104 9.104 8.292 0.812 18167 2994 1 4 . 1 1 18 18 SER N N 36 119.150 119.150 120.769 -1.619 18167 2995 1 4 . 1 1 18 18 SER HA H 36 4.786 4.786 5.007 -0.221 18167 2996 1 4 . 1 1 18 18 SER C C 36 172.002 172.002 172.336 -0.334 18167 2997 1 4 . 1 1 18 18 SER CA C 36 56.341 56.341 57.009 -0.668 18167 2998 1 4 . 1 1 18 18 SER CB C 36 65.327 65.327 66.971 -1.644 18167 2999 1 4 . 1 1 18 18 SER H H 36 7.398 7.398 7.888 -0.490 18167 3000 1 4 . 1 1 19 19 ASP N N 37 124.935 124.935 122.386 2.549 18167 3001 1 4 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.996 -0.325 18167 3002 1 4 . 1 1 19 19 ASP C C 37 176.089 176.089 176.723 -0.634 18167 3003 1 4 . 1 1 19 19 ASP CA C 37 52.809 52.809 52.908 -0.099 18167 3004 1 4 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.896 -1.431 18167 3005 1 4 . 1 1 19 19 ASP H H 37 8.607 8.607 8.500 0.107 18167 3006 1 4 . 1 1 20 20 THR N N 38 117.032 117.032 116.230 0.802 18167 3007 1 4 . 1 1 20 20 THR HA H 38 4.316 4.316 4.042 0.274 18167 3008 1 4 . 1 1 20 20 THR C C 38 175.794 175.794 175.952 -0.158 18167 3009 1 4 . 1 1 20 20 THR CA C 38 63.123 63.123 64.710 -1.587 18167 3010 1 4 . 1 1 20 20 THR CB C 38 68.905 68.905 69.109 -0.204 18167 3011 1 4 . 1 1 20 20 THR H H 38 8.470 8.470 8.609 -0.139 18167 3012 1 4 . 1 1 21 21 LYS N N 39 124.893 124.893 120.888 4.005 18167 3013 1 4 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.027 0.162 18167 3014 1 4 . 1 1 21 21 LYS C C 39 177.678 177.678 178.265 -0.587 18167 3015 1 4 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.322 -0.527 18167 3016 1 4 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.336 -0.668 18167 3017 1 4 . 1 1 21 21 LYS H H 39 8.201 8.201 7.831 0.370 18167 3018 1 4 . 1 1 22 22 ASP N N 40 118.183 118.183 115.614 2.569 18167 3019 1 4 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.562 0.259 18167 3020 1 4 . 1 1 22 22 ASP C C 40 176.752 176.752 177.305 -0.553 18167 3021 1 4 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.151 0.728 18167 3022 1 4 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.806 1.063 18167 3023 1 4 . 1 1 22 22 ASP H H 40 8.480 8.480 8.434 0.046 18167 3024 1 4 . 1 1 23 23 GLY N N 41 108.978 108.978 107.456 1.522 18167 3025 1 4 . 1 1 23 23 GLY C C 41 172.396 172.396 173.076 -0.680 18167 3026 1 4 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.511 1.605 18167 3027 1 4 . 1 1 23 23 GLY H H 41 7.421 7.421 8.272 -0.851 18167 3028 1 4 . 1 1 24 24 TYR N N 42 112.046 112.046 116.341 -4.295 18167 3029 1 4 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.914 -0.520 18167 3030 1 4 . 1 1 24 24 TYR C C 42 173.028 173.028 173.157 -0.129 18167 3031 1 4 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.210 1.622 18167 3032 1 4 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.752 0.102 18167 3033 1 4 . 1 1 24 24 TYR H H 42 7.506 7.506 7.832 -0.326 18167 3034 1 4 . 1 1 25 25 GLU N N 43 117.470 117.470 119.785 -2.315 18167 3035 1 4 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.207 0.261 18167 3036 1 4 . 1 1 25 25 GLU C C 43 173.311 173.311 174.553 -1.242 18167 3037 1 4 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.127 -0.896 18167 3038 1 4 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.666 -0.041 18167 3039 1 4 . 1 1 25 25 GLU H H 43 8.934 8.934 8.829 0.105 18167 3040 1 4 . 1 1 26 26 PHE N N 44 112.795 112.795 117.749 -4.954 18167 3041 1 4 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.187 -0.345 18167 3042 1 4 . 1 1 26 26 PHE C C 44 172.776 172.776 173.290 -0.514 18167 3043 1 4 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.923 -0.307 18167 3044 1 4 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.678 -1.229 18167 3045 1 4 . 1 1 26 26 PHE H H 44 8.532 8.532 8.510 0.022 18167 3046 1 4 . 1 1 27 27 LEU N N 45 119.784 119.784 122.288 -2.504 18167 3047 1 4 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.004 0.516 18167 3048 1 4 . 1 1 27 27 LEU C C 45 174.965 174.965 176.515 -1.550 18167 3049 1 4 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.086 -1.312 18167 3050 1 4 . 1 1 27 27 LEU CB C 45 44.650 44.650 42.298 2.352 18167 3051 1 4 . 1 1 27 27 LEU H H 45 9.241 9.241 8.847 0.394 18167 3052 1 4 . 1 1 28 28 TYR N N 46 113.008 113.008 119.312 -6.304 18167 3053 1 4 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.876 0.037 18167 3054 1 4 . 1 1 28 28 TYR C C 46 171.354 171.354 172.113 -0.759 18167 3055 1 4 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.845 -0.088 18167 3056 1 4 . 1 1 28 28 TYR CB C 46 38.147 38.147 39.066 -0.919 18167 3057 1 4 . 1 1 28 28 TYR H H 46 8.951 8.951 8.787 0.164 18167 3058 1 4 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.193 -0.186 18167 3059 1 4 . 1 1 29 29 PRO C C 47 176.165 176.165 176.476 -0.311 18167 3060 1 4 . 1 1 29 29 PRO CA C 47 63.318 63.318 61.836 1.482 18167 3061 1 4 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.857 -1.517 18167 3062 1 4 . 1 1 30 30 ASN N N 48 119.923 119.923 118.518 1.405 18167 3063 1 4 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.343 -0.080 18167 3064 1 4 . 1 1 30 30 ASN C C 48 176.347 176.347 176.484 -0.137 18167 3065 1 4 . 1 1 30 30 ASN CA C 48 55.201 55.201 54.590 0.611 18167 3066 1 4 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.397 0.191 18167 3067 1 4 . 1 1 30 30 ASN H H 48 8.163 8.163 7.943 0.220 18167 3068 1 4 . 1 1 31 31 GLY N N 49 111.442 111.442 107.446 3.996 18167 3069 1 4 . 1 1 31 31 GLY C C 49 174.985 174.985 173.979 1.006 18167 3070 1 4 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.260 0.132 18167 3071 1 4 . 1 1 31 31 GLY H H 49 8.702 8.702 8.754 -0.052 18167 3072 1 4 . 1 1 32 32 TRP N N 50 122.100 122.100 120.874 1.226 18167 3073 1 4 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.347 -0.005 18167 3074 1 4 . 1 1 32 32 TRP C C 50 176.370 176.370 177.369 -0.999 18167 3075 1 4 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.294 0.999 18167 3076 1 4 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.274 -0.171 18167 3077 1 4 . 1 1 32 32 TRP H H 50 8.008 8.008 7.642 0.366 18167 3078 1 4 . 1 1 33 33 ILE N N 51 117.163 117.163 119.566 -2.403 18167 3079 1 4 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.880 0.075 18167 3080 1 4 . 1 1 33 33 ILE C C 51 175.549 175.549 174.797 0.752 18167 3081 1 4 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.719 -0.491 18167 3082 1 4 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.559 0.530 18167 3083 1 4 . 1 1 33 33 ILE H H 51 9.249 9.249 8.665 0.584 18167 3084 1 4 . 1 1 34 34 GLY N N 52 111.812 111.812 110.719 1.093 18167 3085 1 4 . 1 1 34 34 GLY C C 52 173.956 173.956 173.790 0.166 18167 3086 1 4 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.797 1.607 18167 3087 1 4 . 1 1 34 34 GLY H H 52 8.787 8.787 8.359 0.428 18167 3088 1 4 . 1 1 35 35 VAL N N 53 122.174 122.174 123.746 -1.572 18167 3089 1 4 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.193 -0.049 18167 3090 1 4 . 1 1 35 35 VAL C C 53 174.921 174.921 175.192 -0.271 18167 3091 1 4 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.021 -0.364 18167 3092 1 4 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.881 -0.841 18167 3093 1 4 . 1 1 35 35 VAL H H 53 7.763 7.763 8.337 -0.574 18167 3094 1 4 . 1 1 36 36 ASP N N 54 125.424 125.424 125.840 -0.416 18167 3095 1 4 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.611 -0.022 18167 3096 1 4 . 1 1 36 36 ASP C C 54 176.890 176.890 176.216 0.674 18167 3097 1 4 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.840 -0.390 18167 3098 1 4 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.114 0.059 18167 3099 1 4 . 1 1 36 36 ASP H H 54 8.425 8.425 8.510 -0.085 18167 3100 1 4 . 1 1 37 37 VAL N N 55 120.335 120.335 118.549 1.786 18167 3101 1 4 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.419 -0.251 18167 3102 1 4 . 1 1 37 37 VAL C C 55 176.785 176.785 175.599 1.186 18167 3103 1 4 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.145 0.774 18167 3104 1 4 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.405 -0.615 18167 3105 1 4 . 1 1 37 37 VAL H H 55 8.215 8.215 8.271 -0.056 18167 3106 1 4 . 1 1 38 38 LYS N N 56 124.881 124.881 123.746 1.135 18167 3107 1 4 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.292 -0.090 18167 3108 1 4 . 1 1 38 38 LYS C C 56 177.828 177.828 177.937 -0.109 18167 3109 1 4 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.649 0.354 18167 3110 1 4 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.451 -0.814 18167 3111 1 4 . 1 1 38 38 LYS H H 56 8.331 8.331 8.054 0.277 18167 3112 1 4 . 1 1 39 39 GLY N N 57 111.152 111.152 111.764 -0.612 18167 3113 1 4 . 1 1 39 39 GLY C C 57 174.253 174.253 174.147 0.106 18167 3114 1 4 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.849 0.512 18167 3115 1 4 . 1 1 39 39 GLY H H 57 8.651 8.651 8.928 -0.277 18167 3116 1 4 . 1 1 40 40 ALA N N 58 123.085 123.085 122.618 0.467 18167 3117 1 4 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.444 -0.061 18167 3118 1 4 . 1 1 40 40 ALA C C 58 177.125 177.125 177.083 0.042 18167 3119 1 4 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.450 0.904 18167 3120 1 4 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.600 0.017 18167 3121 1 4 . 1 1 40 40 ALA H H 58 7.839 7.839 7.548 0.291 18167 3122 1 4 . 1 1 41 41 SER N N 59 115.088 115.088 115.136 -0.048 18167 3123 1 4 . 1 1 41 41 SER HA H 59 4.688 4.688 4.395 0.293 18167 3124 1 4 . 1 1 41 41 SER C C 59 171.885 171.885 173.268 -1.383 18167 3125 1 4 . 1 1 41 41 SER CA C 59 56.951 56.951 57.998 -1.047 18167 3126 1 4 . 1 1 41 41 SER CB C 59 63.123 63.123 63.094 0.029 18167 3127 1 4 . 1 1 41 41 SER H H 59 8.186 8.186 8.239 -0.053 18167 3128 1 4 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.359 -0.010 18167 3129 1 4 . 1 1 42 42 PRO C C 60 177.660 177.660 177.657 0.003 18167 3130 1 4 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.740 0.485 18167 3131 1 4 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.764 -0.223 18167 3132 1 4 . 1 1 43 43 GLY N N 61 111.997 111.997 111.195 0.802 18167 3133 1 4 . 1 1 43 43 GLY C C 61 174.070 174.070 174.013 0.057 18167 3134 1 4 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.977 0.636 18167 3135 1 4 . 1 1 43 43 GLY H H 61 8.730 8.730 8.613 0.117 18167 3136 1 4 . 1 1 44 44 VAL N N 62 120.539 120.539 121.881 -1.342 18167 3137 1 4 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.776 0.501 18167 3138 1 4 . 1 1 44 44 VAL C C 62 175.277 175.277 175.016 0.261 18167 3139 1 4 . 1 1 44 44 VAL CA C 62 62.927 62.927 63.978 -1.051 18167 3140 1 4 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.865 0.690 18167 3141 1 4 . 1 1 44 44 VAL H H 62 7.573 7.573 7.448 0.125 18167 3142 1 4 . 1 1 45 45 ASP N N 63 128.619 128.619 126.692 1.927 18167 3143 1 4 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.744 0.163 18167 3144 1 4 . 1 1 45 45 ASP C C 63 176.177 176.177 175.399 0.778 18167 3145 1 4 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.770 1.085 18167 3146 1 4 . 1 1 45 45 ASP CB C 63 44.275 44.275 44.251 0.024 18167 3147 1 4 . 1 1 45 45 ASP H H 63 9.084 9.084 8.169 0.915 18167 3148 1 4 . 1 1 46 46 VAL N N 64 115.687 115.687 111.103 4.584 18167 3149 1 4 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.641 -0.331 18167 3150 1 4 . 1 1 46 46 VAL C C 64 172.853 172.853 173.093 -0.240 18167 3151 1 4 . 1 1 46 46 VAL CA C 64 61.171 61.171 59.891 1.280 18167 3152 1 4 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.118 0.790 18167 3153 1 4 . 1 1 46 46 VAL H H 64 7.314 7.314 7.401 -0.087 18167 3154 1 4 . 1 1 47 47 VAL N N 65 124.933 124.933 118.657 6.276 18167 3155 1 4 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.516 0.540 18167 3156 1 4 . 1 1 47 47 VAL C C 65 175.266 175.266 173.238 2.028 18167 3157 1 4 . 1 1 47 47 VAL CA C 65 61.082 61.082 60.330 0.752 18167 3158 1 4 . 1 1 47 47 VAL CB C 65 36.667 36.667 36.087 0.581 18167 3159 1 4 . 1 1 47 47 VAL H H 65 8.146 8.146 7.644 0.502 18167 3160 1 4 . 1 1 48 48 PHE N N 66 122.916 122.916 127.370 -4.454 18167 3161 1 4 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.435 0.056 18167 3162 1 4 . 1 1 48 48 PHE C C 66 174.371 174.371 174.662 -0.291 18167 3163 1 4 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.179 0.349 18167 3164 1 4 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.020 2.139 18167 3165 1 4 . 1 1 48 48 PHE H H 66 8.469 8.469 8.976 -0.507 18167 3166 1 4 . 1 1 49 49 ARG N N 67 116.381 116.381 121.230 -4.849 18167 3167 1 4 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.516 -0.011 18167 3168 1 4 . 1 1 49 49 ARG C C 67 173.455 173.455 173.854 -0.399 18167 3169 1 4 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.613 -0.779 18167 3170 1 4 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.246 0.652 18167 3171 1 4 . 1 1 49 49 ARG H H 67 9.271 9.271 8.740 0.531 18167 3172 1 4 . 1 1 50 50 ASP N N 68 121.066 121.066 123.159 -2.093 18167 3173 1 4 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.836 -0.785 18167 3174 1 4 . 1 1 50 50 ASP C C 68 176.670 176.670 176.726 -0.056 18167 3175 1 4 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.684 1.932 18167 3176 1 4 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.620 1.281 18167 3177 1 4 . 1 1 50 50 ASP H H 68 7.165 7.165 8.494 -1.329 18167 3178 1 4 . 1 1 51 51 LEU N N 69 124.078 124.078 125.106 -1.028 18167 3179 1 4 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.000 0.025 18167 3180 1 4 . 1 1 51 51 LEU C C 69 177.463 177.463 178.733 -1.270 18167 3181 1 4 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.581 -0.173 18167 3182 1 4 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.173 0.976 18167 3183 1 4 . 1 1 51 51 LEU H H 69 8.314 8.314 7.872 0.442 18167 3184 1 4 . 1 1 52 52 ILE N N 70 118.341 118.341 117.253 1.088 18167 3185 1 4 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.864 0.209 18167 3186 1 4 . 1 1 52 52 ILE C C 70 177.093 177.093 176.038 1.055 18167 3187 1 4 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.905 -2.047 18167 3188 1 4 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.405 0.215 18167 3189 1 4 . 1 1 52 52 ILE H H 70 8.178 8.178 7.558 0.620 18167 3190 1 4 . 1 1 53 53 GLU N N 71 122.254 122.254 117.041 5.213 18167 3191 1 4 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.521 -0.137 18167 3192 1 4 . 1 1 53 53 GLU C C 71 176.084 176.084 175.432 0.652 18167 3193 1 4 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.194 -0.386 18167 3194 1 4 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.704 -1.946 18167 3195 1 4 . 1 1 53 53 GLU H H 71 8.974 8.974 8.271 0.703 18167 3196 1 4 . 1 1 54 54 ARG N N 72 121.414 121.414 123.585 -2.171 18167 3197 1 4 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.254 -0.272 18167 3198 1 4 . 1 1 54 54 ARG C C 72 176.478 176.478 177.090 -0.612 18167 3199 1 4 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.437 -0.197 18167 3200 1 4 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.730 -0.766 18167 3201 1 4 . 1 1 54 54 ARG H H 72 8.052 8.052 8.610 -0.558 18167 3202 1 4 . 1 1 55 55 ASP N N 73 117.425 117.425 117.738 -0.313 18167 3203 1 4 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.504 -0.053 18167 3204 1 4 . 1 1 55 55 ASP C C 73 173.783 173.783 175.946 -2.163 18167 3205 1 4 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.916 -0.842 18167 3206 1 4 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.821 -0.079 18167 3207 1 4 . 1 1 55 55 ASP H H 73 8.455 8.455 8.553 -0.098 18167 3208 1 4 . 1 1 56 56 GLU N N 74 124.050 124.050 117.093 6.957 18167 3209 1 4 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.669 0.830 18167 3210 1 4 . 1 1 56 56 GLU C C 74 174.110 174.110 175.526 -1.416 18167 3211 1 4 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.745 -0.267 18167 3212 1 4 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.480 1.966 18167 3213 1 4 . 1 1 56 56 GLU H H 74 7.773 7.773 8.236 -0.463 18167 3214 1 4 . 1 1 57 57 ASN N N 75 119.794 119.794 118.887 0.907 18167 3215 1 4 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.845 -0.082 18167 3216 1 4 . 1 1 57 57 ASN C C 75 171.893 171.893 173.404 -1.511 18167 3217 1 4 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.793 0.170 18167 3218 1 4 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.053 0.316 18167 3219 1 4 . 1 1 57 57 ASN H H 75 8.891 8.891 8.420 0.471 18167 3220 1 4 . 1 1 58 58 LEU N N 76 116.438 116.438 120.975 -4.537 18167 3221 1 4 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.240 0.101 18167 3222 1 4 . 1 1 58 58 LEU C C 76 174.630 174.630 174.592 0.038 18167 3223 1 4 . 1 1 58 58 LEU CA C 76 52.828 52.828 54.036 -1.208 18167 3224 1 4 . 1 1 58 58 LEU CB C 76 45.879 45.879 46.451 -0.572 18167 3225 1 4 . 1 1 58 58 LEU H H 76 9.166 9.166 8.395 0.771 18167 3226 1 4 . 1 1 59 59 SER N N 77 114.543 114.543 120.076 -5.533 18167 3227 1 4 . 1 1 59 59 SER HA H 77 5.432 5.432 4.817 0.615 18167 3228 1 4 . 1 1 59 59 SER C C 77 172.602 172.602 172.548 0.054 18167 3229 1 4 . 1 1 59 59 SER CA C 77 56.593 56.593 56.828 -0.235 18167 3230 1 4 . 1 1 59 59 SER CB C 77 66.720 66.720 65.008 1.712 18167 3231 1 4 . 1 1 59 59 SER H H 77 8.352 8.352 8.774 -0.422 18167 3232 1 4 . 1 1 60 60 VAL N N 78 122.017 122.017 127.667 -5.650 18167 3233 1 4 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.308 0.661 18167 3234 1 4 . 1 1 60 60 VAL C C 78 174.861 174.861 174.640 0.221 18167 3235 1 4 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.140 0.044 18167 3236 1 4 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.295 0.017 18167 3237 1 4 . 1 1 60 60 VAL H H 78 8.306 8.306 8.528 -0.222 18167 3238 1 4 . 1 1 61 61 ILE N N 79 128.458 128.458 127.666 0.792 18167 3239 1 4 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.582 0.139 18167 3240 1 4 . 1 1 61 61 ILE C C 79 175.639 175.639 174.254 1.385 18167 3241 1 4 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.412 -0.168 18167 3242 1 4 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.394 0.892 18167 3243 1 4 . 1 1 61 61 ILE H H 79 9.193 9.193 7.737 1.456 18167 3244 1 4 . 1 1 62 62 ILE N N 80 129.957 129.957 127.923 2.034 18167 3245 1 4 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.001 0.041 18167 3246 1 4 . 1 1 62 62 ILE C C 80 175.727 175.727 175.134 0.593 18167 3247 1 4 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.069 2.089 18167 3248 1 4 . 1 1 62 62 ILE CB C 80 39.777 39.777 38.696 1.081 18167 3249 1 4 . 1 1 62 62 ILE H H 80 9.140 9.140 8.834 0.306 18167 3250 1 4 . 1 1 63 63 SER N N 81 122.084 122.084 121.723 0.361 18167 3251 1 4 . 1 1 63 63 SER HA H 81 4.878 4.878 4.757 0.121 18167 3252 1 4 . 1 1 63 63 SER C C 81 172.933 172.933 172.425 0.508 18167 3253 1 4 . 1 1 63 63 SER CA C 81 56.689 56.689 56.672 0.017 18167 3254 1 4 . 1 1 63 63 SER CB C 81 65.862 65.862 66.732 -0.870 18167 3255 1 4 . 1 1 63 63 SER H H 81 9.079 9.079 8.933 0.146 18167 3256 1 4 . 1 1 64 64 GLU N N 82 121.983 121.983 121.162 0.821 18167 3257 1 4 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.793 -0.201 18167 3258 1 4 . 1 1 64 64 GLU C C 82 176.501 176.501 176.412 0.089 18167 3259 1 4 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.245 1.596 18167 3260 1 4 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.260 -0.750 18167 3261 1 4 . 1 1 64 64 GLU H H 82 8.664 8.664 8.476 0.188 18167 3262 1 4 . 1 1 65 65 ILE N N 83 121.194 121.194 120.813 0.381 18167 3263 1 4 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.578 -0.001 18167 3264 1 4 . 1 1 65 65 ILE C C 83 173.233 173.233 174.100 -0.867 18167 3265 1 4 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.142 0.655 18167 3266 1 4 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.656 1.832 18167 3267 1 4 . 1 1 65 65 ILE H H 83 8.271 8.271 8.136 0.135 18167 3268 1 4 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.487 -0.036 18167 3269 1 4 . 1 1 66 66 PRO C C 84 177.697 177.697 176.332 1.365 18167 3270 1 4 . 1 1 66 66 PRO CA C 84 63.197 63.197 63.379 -0.182 18167 3271 1 4 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.553 -0.488 18167 3272 1 4 . 1 1 67 67 SER N N 85 116.018 116.018 116.012 0.006 18167 3273 1 4 . 1 1 67 67 SER HA H 85 4.149 4.149 4.248 -0.099 18167 3274 1 4 . 1 1 67 67 SER C C 85 174.387 174.387 175.343 -0.956 18167 3275 1 4 . 1 1 67 67 SER CA C 85 60.348 60.348 60.351 -0.003 18167 3276 1 4 . 1 1 67 67 SER CB C 85 63.402 63.402 63.322 0.080 18167 3277 1 4 . 1 1 67 67 SER H H 85 8.465 8.465 8.404 0.061 18167 3278 1 4 . 1 1 68 68 ASP N N 86 118.568 118.568 118.252 0.316 18167 3279 1 4 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.686 -0.128 18167 3280 1 4 . 1 1 68 68 ASP C C 86 175.732 175.732 175.598 0.134 18167 3281 1 4 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.221 -0.411 18167 3282 1 4 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.225 -1.007 18167 3283 1 4 . 1 1 68 68 ASP H H 86 8.531 8.531 8.297 0.234 18167 3284 1 4 . 1 1 69 69 LYS N N 87 119.225 119.225 118.514 0.711 18167 3285 1 4 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.592 0.090 18167 3286 1 4 . 1 1 69 69 LYS C C 87 175.814 175.814 175.050 0.764 18167 3287 1 4 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.410 -0.549 18167 3288 1 4 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.394 -1.688 18167 3289 1 4 . 1 1 69 69 LYS H H 87 7.653 7.653 7.189 0.464 18167 3290 1 4 . 1 1 70 70 THR N N 88 113.175 113.175 113.086 0.089 18167 3291 1 4 . 1 1 70 70 THR HA H 88 4.529 4.529 4.550 -0.021 18167 3292 1 4 . 1 1 70 70 THR C C 88 175.278 175.278 175.477 -0.199 18167 3293 1 4 . 1 1 70 70 THR CA C 88 60.699 60.699 59.838 0.861 18167 3294 1 4 . 1 1 70 70 THR CB C 88 70.710 70.710 71.475 -0.765 18167 3295 1 4 . 1 1 70 70 THR H H 88 8.608 8.608 8.224 0.384 18167 3296 1 4 . 1 1 71 71 LEU N N 89 121.978 121.978 122.701 -0.723 18167 3297 1 4 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.944 -0.007 18167 3298 1 4 . 1 1 71 71 LEU C C 89 177.698 177.698 177.614 0.084 18167 3299 1 4 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.408 -0.644 18167 3300 1 4 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.757 0.738 18167 3301 1 4 . 1 1 71 71 LEU H H 89 7.998 7.998 8.916 -0.918 18167 3302 1 4 . 1 1 72 72 THR N N 90 106.680 106.680 109.976 -3.296 18167 3303 1 4 . 1 1 72 72 THR HA H 90 4.221 4.221 4.084 0.137 18167 3304 1 4 . 1 1 72 72 THR C C 90 176.248 176.248 175.520 0.728 18167 3305 1 4 . 1 1 72 72 THR CA C 90 63.648 63.648 65.260 -1.612 18167 3306 1 4 . 1 1 72 72 THR CB C 90 68.620 68.620 68.582 0.038 18167 3307 1 4 . 1 1 72 72 THR H H 90 7.798 7.798 7.838 -0.040 18167 3308 1 4 . 1 1 73 73 ASP N N 91 120.626 120.626 119.340 1.286 18167 3309 1 4 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.507 0.103 18167 3310 1 4 . 1 1 73 73 ASP C C 91 177.133 177.133 178.066 -0.933 18167 3311 1 4 . 1 1 73 73 ASP CA C 91 55.601 55.601 56.229 -0.628 18167 3312 1 4 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.817 0.856 18167 3313 1 4 . 1 1 73 73 ASP H H 91 7.805 7.805 7.962 -0.157 18167 3314 1 4 . 1 1 74 74 LEU N N 92 120.238 120.238 119.177 1.061 18167 3315 1 4 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.082 0.139 18167 3316 1 4 . 1 1 74 74 LEU C C 92 176.907 176.907 177.026 -0.119 18167 3317 1 4 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.690 -1.047 18167 3318 1 4 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.654 -1.330 18167 3319 1 4 . 1 1 74 74 LEU H H 92 8.182 8.182 8.128 0.054 18167 3320 1 4 . 1 1 75 75 GLY N N 93 105.772 105.772 102.700 3.072 18167 3321 1 4 . 1 1 75 75 GLY C C 93 173.853 173.853 171.993 1.860 18167 3322 1 4 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.658 -0.630 18167 3323 1 4 . 1 1 75 75 GLY H H 93 7.713 7.713 7.420 0.293 18167 3324 1 4 . 1 1 76 76 THR N N 94 111.354 111.354 109.851 1.503 18167 3325 1 4 . 1 1 76 76 THR HA H 94 4.426 4.426 4.808 -0.382 18167 3326 1 4 . 1 1 76 76 THR C C 94 174.396 174.396 176.014 -1.618 18167 3327 1 4 . 1 1 76 76 THR CA C 94 61.220 61.220 60.475 0.745 18167 3328 1 4 . 1 1 76 76 THR CB C 94 71.400 71.400 71.964 -0.564 18167 3329 1 4 . 1 1 76 76 THR H H 94 8.842 8.842 8.195 0.647 18167 3330 1 4 . 1 1 77 77 ALA N N 95 122.586 122.586 123.772 -1.186 18167 3331 1 4 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.863 -0.537 18167 3332 1 4 . 1 1 77 77 ALA C C 95 179.120 179.120 179.682 -0.562 18167 3333 1 4 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.628 -0.004 18167 3334 1 4 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.865 -0.886 18167 3335 1 4 . 1 1 77 77 ALA H H 95 8.861 8.861 8.870 -0.009 18167 3336 1 4 . 1 1 78 78 THR N N 96 110.298 110.298 115.013 -4.715 18167 3337 1 4 . 1 1 78 78 THR HA H 96 3.479 3.479 3.942 -0.463 18167 3338 1 4 . 1 1 78 78 THR C C 96 175.297 175.297 176.639 -1.342 18167 3339 1 4 . 1 1 78 78 THR CA C 96 66.314 66.314 66.897 -0.582 18167 3340 1 4 . 1 1 78 78 THR CB C 96 68.335 68.335 68.675 -0.340 18167 3341 1 4 . 1 1 78 78 THR H H 96 7.757 7.757 7.672 0.085 18167 3342 1 4 . 1 1 79 79 ASP N N 97 122.829 122.829 122.254 0.575 18167 3343 1 4 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.601 -0.189 18167 3344 1 4 . 1 1 79 79 ASP C C 97 179.693 179.693 178.712 0.981 18167 3345 1 4 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.230 0.764 18167 3346 1 4 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.828 -0.297 18167 3347 1 4 . 1 1 79 79 ASP H H 97 7.448 7.448 8.123 -0.675 18167 3348 1 4 . 1 1 80 80 VAL N N 98 121.175 121.175 119.007 2.168 18167 3349 1 4 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.798 -0.316 18167 3350 1 4 . 1 1 80 80 VAL C C 98 178.667 178.667 178.479 0.188 18167 3351 1 4 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.576 -0.020 18167 3352 1 4 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.333 0.175 18167 3353 1 4 . 1 1 80 80 VAL H H 98 8.390 8.390 8.829 -0.439 18167 3354 1 4 . 1 1 81 81 GLY N N 99 108.920 108.920 108.183 0.737 18167 3355 1 4 . 1 1 81 81 GLY C C 99 175.133 175.133 176.300 -1.167 18167 3356 1 4 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.298 1.752 18167 3357 1 4 . 1 1 81 81 GLY H H 99 8.630 8.630 7.776 0.854 18167 3358 1 4 . 1 1 82 82 TYR N N 100 121.598 121.598 122.079 -0.481 18167 3359 1 4 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.270 0.058 18167 3360 1 4 . 1 1 82 82 TYR C C 100 179.383 179.383 178.483 0.900 18167 3361 1 4 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.466 0.273 18167 3362 1 4 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.050 -0.951 18167 3363 1 4 . 1 1 82 82 TYR H H 100 8.880 8.880 8.062 0.818 18167 3364 1 4 . 1 1 83 83 ARG N N 101 121.436 121.436 118.846 2.590 18167 3365 1 4 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.981 0.106 18167 3366 1 4 . 1 1 83 83 ARG C C 101 178.906 178.906 178.697 0.209 18167 3367 1 4 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.221 0.326 18167 3368 1 4 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.561 0.062 18167 3369 1 4 . 1 1 83 83 ARG H H 101 8.102 8.102 8.259 -0.157 18167 3370 1 4 . 1 1 84 84 PHE N N 102 121.581 121.581 121.270 0.311 18167 3371 1 4 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.221 0.166 18167 3372 1 4 . 1 1 84 84 PHE C C 102 177.731 177.731 176.953 0.778 18167 3373 1 4 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.664 -1.658 18167 3374 1 4 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.834 -0.593 18167 3375 1 4 . 1 1 84 84 PHE H H 102 8.511 8.511 7.801 0.710 18167 3376 1 4 . 1 1 85 85 MET N N 103 117.909 117.909 118.756 -0.847 18167 3377 1 4 . 1 1 85 85 MET HA H 103 3.850 3.850 3.831 0.019 18167 3378 1 4 . 1 1 85 85 MET C C 103 178.063 178.063 178.089 -0.026 18167 3379 1 4 . 1 1 85 85 MET CA C 103 57.352 57.352 57.799 -0.447 18167 3380 1 4 . 1 1 85 85 MET CB C 103 33.654 33.654 31.436 2.218 18167 3381 1 4 . 1 1 85 85 MET H H 103 8.350 8.350 7.672 0.678 18167 3382 1 4 . 1 1 86 86 LYS N N 104 118.874 118.874 119.446 -0.572 18167 3383 1 4 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.890 0.114 18167 3384 1 4 . 1 1 86 86 LYS C C 104 177.910 177.910 178.829 -0.919 18167 3385 1 4 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.946 -0.498 18167 3386 1 4 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.316 -0.631 18167 3387 1 4 . 1 1 86 86 LYS H H 104 7.578 7.578 7.769 -0.191 18167 3388 1 4 . 1 1 87 87 THR N N 105 114.567 114.567 115.936 -1.369 18167 3389 1 4 . 1 1 87 87 THR HA H 105 3.949 3.949 3.930 0.019 18167 3390 1 4 . 1 1 87 87 THR C C 105 176.912 176.912 176.561 0.351 18167 3391 1 4 . 1 1 87 87 THR CA C 105 66.108 66.108 67.129 -1.021 18167 3392 1 4 . 1 1 87 87 THR CB C 105 68.909 68.909 68.400 0.509 18167 3393 1 4 . 1 1 87 87 THR H H 105 7.667 7.667 7.720 -0.053 18167 3394 1 4 . 1 1 88 88 VAL N N 106 122.160 122.160 120.314 1.846 18167 3395 1 4 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.310 0.181 18167 3396 1 4 . 1 1 88 88 VAL C C 106 178.950 178.950 177.728 1.222 18167 3397 1 4 . 1 1 88 88 VAL CA C 106 65.824 65.824 66.060 -0.236 18167 3398 1 4 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.343 0.166 18167 3399 1 4 . 1 1 88 88 VAL H H 106 7.600 7.600 7.893 -0.293 18167 3400 1 4 . 1 1 89 89 ASN N N 107 120.741 120.741 119.065 1.676 18167 3401 1 4 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.283 0.207 18167 3402 1 4 . 1 1 89 89 ASN C C 107 178.483 178.483 176.745 1.738 18167 3403 1 4 . 1 1 89 89 ASN CA C 107 55.942 55.942 56.021 -0.079 18167 3404 1 4 . 1 1 89 89 ASN CB C 107 37.890 37.890 38.198 -0.308 18167 3405 1 4 . 1 1 89 89 ASN H H 107 8.501 8.501 8.411 0.090 18167 3406 1 4 . 1 1 90 90 ASP N N 108 121.211 121.211 120.410 0.801 18167 3407 1 4 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.323 0.157 18167 3408 1 4 . 1 1 90 90 ASP C C 108 177.598 177.598 177.088 0.510 18167 3409 1 4 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.884 -0.517 18167 3410 1 4 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.550 -0.308 18167 3411 1 4 . 1 1 90 90 ASP H H 108 8.824 8.824 8.353 0.471 18167 3412 1 4 . 1 1 91 91 ALA N N 109 121.181 121.181 120.759 0.422 18167 3413 1 4 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.261 0.131 18167 3414 1 4 . 1 1 91 91 ALA C C 109 177.936 177.936 178.740 -0.804 18167 3415 1 4 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.829 -1.137 18167 3416 1 4 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.713 -0.824 18167 3417 1 4 . 1 1 91 91 ALA H H 109 7.507 7.507 7.410 0.097 18167 3418 1 4 . 1 1 92 92 SER N N 110 113.785 113.785 112.787 0.998 18167 3419 1 4 . 1 1 92 92 SER HA H 110 4.537 4.537 4.746 -0.209 18167 3420 1 4 . 1 1 92 92 SER C C 110 174.252 174.252 175.737 -1.485 18167 3421 1 4 . 1 1 92 92 SER CA C 110 58.565 58.565 57.933 0.632 18167 3422 1 4 . 1 1 92 92 SER CB C 110 64.795 64.795 64.379 0.415 18167 3423 1 4 . 1 1 92 92 SER H H 110 7.611 7.611 7.640 -0.029 18167 3424 1 4 . 1 1 93 93 GLN N N 111 119.994 119.994 121.471 -1.477 18167 3425 1 4 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.164 0.259 18167 3426 1 4 . 1 1 93 93 GLN C C 111 176.441 176.441 177.470 -1.029 18167 3427 1 4 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.128 -2.336 18167 3428 1 4 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.159 0.684 18167 3429 1 4 . 1 1 93 93 GLN H H 111 8.414 8.414 8.441 -0.027 18167 3430 1 4 . 1 1 94 94 GLY N N 112 107.948 107.948 108.984 -1.036 18167 3431 1 4 . 1 1 94 94 GLY C C 112 174.406 174.406 174.893 -0.487 18167 3432 1 4 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.612 -0.670 18167 3433 1 4 . 1 1 94 94 GLY H H 112 8.467 8.467 8.463 0.004 18167 3434 1 4 . 1 1 95 95 ASP N N 113 119.500 119.500 119.136 0.364 18167 3435 1 4 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.630 -0.074 18167 3436 1 4 . 1 1 95 95 ASP C C 113 175.438 175.438 175.823 -0.385 18167 3437 1 4 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.413 0.267 18167 3438 1 4 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.681 -1.487 18167 3439 1 4 . 1 1 95 95 ASP H H 113 8.423 8.423 7.869 0.554 18167 3440 1 4 . 1 1 96 96 ARG N N 114 118.992 118.992 121.806 -2.814 18167 3441 1 4 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.307 0.754 18167 3442 1 4 . 1 1 96 96 ARG C C 114 175.699 175.699 174.346 1.353 18167 3443 1 4 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.408 -1.365 18167 3444 1 4 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.084 1.556 18167 3445 1 4 . 1 1 96 96 ARG H H 114 7.507 7.507 7.756 -0.249 18167 3446 1 4 . 1 1 97 97 GLN N N 115 121.149 121.149 123.814 -2.665 18167 3447 1 4 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.625 0.044 18167 3448 1 4 . 1 1 97 97 GLN C C 115 173.696 173.696 173.920 -0.224 18167 3449 1 4 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.555 0.002 18167 3450 1 4 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.707 -1.634 18167 3451 1 4 . 1 1 97 97 GLN H H 115 8.814 8.814 8.244 0.570 18167 3452 1 4 . 1 1 98 98 ALA N N 116 129.789 129.789 126.637 3.152 18167 3453 1 4 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.305 0.011 18167 3454 1 4 . 1 1 98 98 ALA C C 116 176.503 176.503 176.309 0.194 18167 3455 1 4 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.136 0.677 18167 3456 1 4 . 1 1 98 98 ALA CB C 116 21.042 21.042 21.249 -0.207 18167 3457 1 4 . 1 1 98 98 ALA H H 116 9.836 9.836 8.411 1.425 18167 3458 1 4 . 1 1 99 99 GLU N N 117 122.780 122.780 123.274 -0.494 18167 3459 1 4 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.742 -0.139 18167 3460 1 4 . 1 1 99 99 GLU C C 117 174.361 174.361 174.994 -0.633 18167 3461 1 4 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.699 -0.379 18167 3462 1 4 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.031 0.281 18167 3463 1 4 . 1 1 99 99 GLU H H 117 9.252 9.252 8.441 0.811 18167 3464 1 4 . 1 1 100 100 LEU N N 118 127.043 127.043 128.872 -1.829 18167 3465 1 4 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.392 -0.085 18167 3466 1 4 . 1 1 100 100 LEU C C 118 176.338 176.338 176.519 -0.181 18167 3467 1 4 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.074 0.448 18167 3468 1 4 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.014 0.627 18167 3469 1 4 . 1 1 100 100 LEU H H 118 8.765 8.765 8.833 -0.068 18167 3470 1 4 . 1 1 101 101 ILE N N 119 128.101 128.101 127.712 0.389 18167 3471 1 4 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.779 0.317 18167 3472 1 4 . 1 1 101 101 ILE C C 119 175.634 175.634 176.418 -0.784 18167 3473 1 4 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.208 -0.805 18167 3474 1 4 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.384 0.674 18167 3475 1 4 . 1 1 101 101 ILE H H 119 9.244 9.244 8.586 0.658 18167 3476 1 4 . 1 1 102 102 ASN N N 120 114.715 114.715 114.262 0.453 18167 3477 1 4 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.725 0.230 18167 3478 1 4 . 1 1 102 102 ASN C C 120 172.326 172.326 172.623 -0.297 18167 3479 1 4 . 1 1 102 102 ASN CA C 120 53.373 53.373 53.312 0.061 18167 3480 1 4 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.642 1.245 18167 3481 1 4 . 1 1 102 102 ASN H H 120 7.989 7.989 7.860 0.129 18167 3482 1 4 . 1 1 103 103 ALA N N 121 125.011 125.011 122.724 2.287 18167 3483 1 4 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.150 0.307 18167 3484 1 4 . 1 1 103 103 ALA C C 121 175.068 175.068 175.678 -0.610 18167 3485 1 4 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.495 -0.136 18167 3486 1 4 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.836 0.573 18167 3487 1 4 . 1 1 103 103 ALA H H 121 8.182 8.182 8.400 -0.218 18167 3488 1 4 . 1 1 104 104 GLU N N 122 121.148 121.148 120.587 0.561 18167 3489 1 4 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.580 0.115 18167 3490 1 4 . 1 1 104 104 GLU C C 122 173.666 173.666 174.179 -0.513 18167 3491 1 4 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.401 0.692 18167 3492 1 4 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.822 -0.312 18167 3493 1 4 . 1 1 104 104 GLU H H 122 8.817 8.817 8.511 0.306 18167 3494 1 4 . 1 1 105 105 ALA N N 123 124.441 124.441 122.337 2.104 18167 3495 1 4 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.310 0.217 18167 3496 1 4 . 1 1 105 105 ALA C C 123 176.479 176.479 176.602 -0.123 18167 3497 1 4 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.845 0.286 18167 3498 1 4 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.915 0.936 18167 3499 1 4 . 1 1 105 105 ALA H H 123 8.860 8.860 8.339 0.521 18167 3500 1 4 . 1 1 106 106 ARG N N 124 120.892 120.892 119.762 1.130 18167 3501 1 4 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.733 0.090 18167 3502 1 4 . 1 1 106 106 ARG C C 124 172.820 172.820 174.560 -1.740 18167 3503 1 4 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.779 -0.007 18167 3504 1 4 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.313 -1.043 18167 3505 1 4 . 1 1 106 106 ARG H H 124 9.209 9.209 8.791 0.418 18167 3506 1 4 . 1 1 107 107 ASP N N 125 122.706 122.706 124.179 -1.473 18167 3507 1 4 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.267 -0.028 18167 3508 1 4 . 1 1 107 107 ASP C C 125 176.097 176.097 175.688 0.409 18167 3509 1 4 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.220 -0.276 18167 3510 1 4 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.729 1.409 18167 3511 1 4 . 1 1 107 107 ASP H H 125 8.633 8.633 8.680 -0.047 18167 3512 1 4 . 1 1 108 108 GLU N N 126 126.120 126.120 125.994 0.126 18167 3513 1 4 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.691 0.014 18167 3514 1 4 . 1 1 108 108 GLU C C 126 175.768 175.768 176.228 -0.460 18167 3515 1 4 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.273 -0.256 18167 3516 1 4 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.827 -3.403 18167 3517 1 4 . 1 1 108 108 GLU H H 126 9.152 9.152 9.239 -0.087 18167 3518 1 4 . 1 1 109 109 ASP N N 127 126.277 126.277 122.919 3.358 18167 3519 1 4 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.390 -0.036 18167 3520 1 4 . 1 1 109 109 ASP C C 127 175.414 175.414 176.640 -1.226 18167 3521 1 4 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.025 0.365 18167 3522 1 4 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.390 0.852 18167 3523 1 4 . 1 1 109 109 ASP H H 127 9.067 9.067 9.070 -0.003 18167 3524 1 4 . 1 1 110 110 GLY N N 128 106.859 106.859 102.829 4.030 18167 3525 1 4 . 1 1 110 110 GLY C C 128 173.761 173.761 173.952 -0.191 18167 3526 1 4 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.400 -0.158 18167 3527 1 4 . 1 1 110 110 GLY H H 128 9.008 9.008 8.353 0.655 18167 3528 1 4 . 1 1 111 111 GLN N N 129 123.033 123.033 120.441 2.592 18167 3529 1 4 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.492 -0.109 18167 3530 1 4 . 1 1 111 111 GLN C C 129 173.901 173.901 174.333 -0.432 18167 3531 1 4 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.033 -0.097 18167 3532 1 4 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.347 -1.164 18167 3533 1 4 . 1 1 111 111 GLN H H 129 7.825 7.825 8.192 -0.367 18167 3534 1 4 . 1 1 112 112 VAL N N 130 128.263 128.263 126.659 1.604 18167 3535 1 4 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.679 0.193 18167 3536 1 4 . 1 1 112 112 VAL C C 130 175.591 175.591 174.507 1.084 18167 3537 1 4 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.237 0.866 18167 3538 1 4 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.449 -1.076 18167 3539 1 4 . 1 1 112 112 VAL H H 130 8.330 8.330 8.412 -0.082 18167 3540 1 4 . 1 1 113 113 TYR N N 131 126.702 126.702 124.601 2.101 18167 3541 1 4 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.873 0.177 18167 3542 1 4 . 1 1 113 113 TYR C C 131 175.477 175.477 174.839 0.638 18167 3543 1 4 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.190 0.233 18167 3544 1 4 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.823 0.666 18167 3545 1 4 . 1 1 113 113 TYR H H 131 9.136 9.136 8.985 0.151 18167 3546 1 4 . 1 1 114 114 TYR N N 132 121.626 121.626 123.572 -1.946 18167 3547 1 4 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.142 0.688 18167 3548 1 4 . 1 1 114 114 TYR C C 132 175.368 175.368 175.649 -0.281 18167 3549 1 4 . 1 1 114 114 TYR CA C 132 54.068 54.068 56.061 -1.993 18167 3550 1 4 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.296 -0.979 18167 3551 1 4 . 1 1 114 114 TYR H H 132 9.577 9.577 9.587 -0.010 18167 3552 1 4 . 1 1 115 115 THR N N 133 120.018 120.018 121.786 -1.768 18167 3553 1 4 . 1 1 115 115 THR HA H 133 5.486 5.486 4.612 0.874 18167 3554 1 4 . 1 1 115 115 THR C C 133 174.327 174.327 172.874 1.453 18167 3555 1 4 . 1 1 115 115 THR CA C 133 61.648 61.648 62.123 -0.476 18167 3556 1 4 . 1 1 115 115 THR CB C 133 69.622 69.622 70.000 -0.378 18167 3557 1 4 . 1 1 115 115 THR H H 133 9.351 9.351 9.305 0.046 18167 3558 1 4 . 1 1 116 116 LEU N N 134 127.249 127.249 128.193 -0.944 18167 3559 1 4 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.737 0.558 18167 3560 1 4 . 1 1 116 116 LEU C C 134 174.347 174.347 174.558 -0.211 18167 3561 1 4 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.194 -1.566 18167 3562 1 4 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.754 -0.219 18167 3563 1 4 . 1 1 116 116 LEU H H 134 10.010 10.010 9.439 0.571 18167 3564 1 4 . 1 1 117 117 GLU N N 135 124.969 124.969 125.288 -0.319 18167 3565 1 4 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.740 0.838 18167 3566 1 4 . 1 1 117 117 GLU C C 135 175.635 175.635 174.567 1.068 18167 3567 1 4 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.861 -0.722 18167 3568 1 4 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.697 -0.534 18167 3569 1 4 . 1 1 117 117 GLU H H 135 9.109 9.109 8.849 0.260 18167 3570 1 4 . 1 1 118 118 TYR N N 136 125.868 125.868 122.702 3.166 18167 3571 1 4 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.517 -0.242 18167 3572 1 4 . 1 1 118 118 TYR C C 136 170.317 170.317 172.643 -2.326 18167 3573 1 4 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.900 0.111 18167 3574 1 4 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.069 0.447 18167 3575 1 4 . 1 1 118 118 TYR H H 136 8.973 8.973 8.449 0.524 18167 3576 1 4 . 1 1 119 119 ARG N N 137 115.256 115.256 117.236 -1.980 18167 3577 1 4 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.659 0.418 18167 3578 1 4 . 1 1 119 119 ARG C C 137 173.643 173.643 174.305 -0.662 18167 3579 1 4 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.432 -1.309 18167 3580 1 4 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.275 -1.090 18167 3581 1 4 . 1 1 119 119 ARG H H 137 8.920 8.920 8.651 0.269 18167 3582 1 4 . 1 1 120 120 VAL N N 138 119.767 119.767 121.475 -1.708 18167 3583 1 4 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.667 0.119 18167 3584 1 4 . 1 1 120 120 VAL C C 138 174.355 174.355 174.831 -0.476 18167 3585 1 4 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.367 0.416 18167 3586 1 4 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.325 0.837 18167 3587 1 4 . 1 1 120 120 VAL H H 138 8.430 8.430 8.685 -0.255 18167 3588 1 4 . 1 1 121 121 LEU N N 139 129.915 129.915 126.106 3.809 18167 3589 1 4 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.113 -0.028 18167 3590 1 4 . 1 1 121 121 LEU C C 139 176.376 176.376 174.548 1.828 18167 3591 1 4 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.273 0.386 18167 3592 1 4 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.158 -1.036 18167 3593 1 4 . 1 1 121 121 LEU H H 139 9.333 9.333 8.663 0.670 18167 3594 1 4 . 1 1 122 122 VAL N N 140 120.956 120.956 122.027 -1.071 18167 3595 1 4 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.608 -0.233 18167 3596 1 4 . 1 1 122 122 VAL C C 140 177.264 177.264 177.306 -0.042 18167 3597 1 4 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.331 1.137 18167 3598 1 4 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.120 -0.246 18167 3599 1 4 . 1 1 122 122 VAL H H 140 8.655 8.655 7.939 0.716 18167 3600 1 4 . 1 1 123 123 GLY N N 141 119.059 119.059 118.290 0.769 18167 3601 1 4 . 1 1 123 123 GLY C C 141 174.482 174.482 174.352 0.130 18167 3602 1 4 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.544 0.624 18167 3603 1 4 . 1 1 123 123 GLY H H 141 8.940 8.940 8.434 0.506 18167 3604 1 4 . 1 1 124 124 ASP N N 142 124.652 124.652 124.388 0.264 18167 3605 1 4 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.745 -0.111 18167 3606 1 4 . 1 1 124 124 ASP C C 142 175.588 175.588 175.246 0.342 18167 3607 1 4 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.601 0.789 18167 3608 1 4 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.882 0.382 18167 3609 1 4 . 1 1 124 124 ASP H H 142 8.722 8.722 8.478 0.244 18167 3610 1 4 . 1 1 125 125 ASN N N 143 118.203 118.203 118.422 -0.219 18167 3611 1 4 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.924 0.003 18167 3612 1 4 . 1 1 125 125 ASN C C 143 174.095 174.095 173.284 0.811 18167 3613 1 4 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.658 -0.252 18167 3614 1 4 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.605 -0.542 18167 3615 1 4 . 1 1 125 125 ASN H H 143 8.023 8.023 7.819 0.204 18167 3616 1 4 . 1 1 126 126 VAL N N 144 123.424 123.424 120.665 2.759 18167 3617 1 4 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.084 -0.004 18167 3618 1 4 . 1 1 126 126 VAL C C 144 175.767 175.767 175.576 0.191 18167 3619 1 4 . 1 1 126 126 VAL CA C 144 63.309 63.309 61.837 1.472 18167 3620 1 4 . 1 1 126 126 VAL H H 144 8.857 8.857 8.423 0.434 18167 3621 1 4 . 1 1 127 127 GLU N N 145 130.709 130.709 129.397 1.312 18167 3622 1 4 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.166 0.239 18167 3623 1 4 . 1 1 127 127 GLU C C 145 176.522 176.522 176.294 0.228 18167 3624 1 4 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.699 -0.735 18167 3625 1 4 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.814 1.541 18167 3626 1 4 . 1 1 127 127 GLU H H 145 9.487 9.487 9.115 0.372 18167 3627 1 4 . 1 1 128 128 ARG N N 146 113.222 113.222 112.500 0.722 18167 3628 1 4 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.464 0.597 18167 3629 1 4 . 1 1 128 128 ARG C C 146 172.055 172.055 173.797 -1.742 18167 3630 1 4 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.267 -0.886 18167 3631 1 4 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.539 1.452 18167 3632 1 4 . 1 1 128 128 ARG H H 146 7.657 7.657 7.650 0.007 18167 3633 1 4 . 1 1 129 129 HIS N N 147 125.158 125.158 117.496 7.662 18167 3634 1 4 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.424 0.208 18167 3635 1 4 . 1 1 129 129 HIS C C 147 172.407 172.407 173.041 -0.634 18167 3636 1 4 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.876 -0.680 18167 3637 1 4 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.566 0.370 18167 3638 1 4 . 1 1 129 129 HIS H H 147 9.295 9.295 8.213 1.082 18167 3639 1 4 . 1 1 130 130 ASP N N 148 122.383 122.383 121.152 1.231 18167 3640 1 4 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.030 1.097 18167 3641 1 4 . 1 1 130 130 ASP C C 148 174.350 174.350 173.516 0.834 18167 3642 1 4 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.696 -0.749 18167 3643 1 4 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.274 -1.306 18167 3644 1 4 . 1 1 130 130 ASP H H 148 8.879 8.879 8.135 0.744 18167 3645 1 4 . 1 1 131 131 LEU N N 149 121.444 121.444 123.940 -2.496 18167 3646 1 4 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.976 0.313 18167 3647 1 4 . 1 1 131 131 LEU C C 149 174.289 174.289 174.125 0.164 18167 3648 1 4 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.190 0.668 18167 3649 1 4 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.043 1.825 18167 3650 1 4 . 1 1 131 131 LEU H H 149 8.916 8.916 8.195 0.721 18167 3651 1 4 . 1 1 132 132 ALA N N 150 128.498 128.498 128.477 0.021 18167 3652 1 4 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.531 0.499 18167 3653 1 4 . 1 1 132 132 ALA C C 150 176.044 176.044 175.534 0.510 18167 3654 1 4 . 1 1 132 132 ALA CA C 150 49.401 49.401 49.604 -0.203 18167 3655 1 4 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.375 -0.552 18167 3656 1 4 . 1 1 132 132 ALA H H 150 9.920 9.920 9.151 0.769 18167 3657 1 4 . 1 1 133 133 SER N N 151 116.937 116.937 117.985 -1.048 18167 3658 1 4 . 1 1 133 133 SER HA H 151 5.812 5.812 5.508 0.304 18167 3659 1 4 . 1 1 133 133 SER C C 151 173.367 173.367 173.422 -0.055 18167 3660 1 4 . 1 1 133 133 SER CA C 151 56.394 56.394 56.544 -0.150 18167 3661 1 4 . 1 1 133 133 SER CB C 151 65.448 65.448 64.982 0.466 18167 3662 1 4 . 1 1 133 133 SER H H 151 9.360 9.360 8.253 1.107 18167 3663 1 4 . 1 1 134 134 VAL N N 152 126.011 126.011 129.118 -3.107 18167 3664 1 4 . 1 1 134 134 VAL HA H 152 5.409 5.409 5.022 0.387 18167 3665 1 4 . 1 1 134 134 VAL C C 152 175.735 175.735 174.893 0.842 18167 3666 1 4 . 1 1 134 134 VAL CA C 152 60.163 60.163 60.947 -0.784 18167 3667 1 4 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.576 1.344 18167 3668 1 4 . 1 1 134 134 VAL H H 152 9.558 9.558 9.108 0.450 18167 3669 1 4 . 1 1 135 135 THR N N 153 118.998 118.998 122.880 -3.882 18167 3670 1 4 . 1 1 135 135 THR HA H 153 4.723 4.723 4.985 -0.262 18167 3671 1 4 . 1 1 135 135 THR C C 153 171.746 171.746 173.589 -1.843 18167 3672 1 4 . 1 1 135 135 THR CA C 153 61.221 61.221 61.004 0.217 18167 3673 1 4 . 1 1 135 135 THR CB C 153 69.300 69.300 72.632 -3.332 18167 3674 1 4 . 1 1 135 135 THR H H 153 8.960 8.960 9.197 -0.237 18167 3675 1 4 . 1 1 136 136 THR N N 154 109.883 109.883 116.582 -6.699 18167 3676 1 4 . 1 1 136 136 THR HA H 154 5.636 5.636 5.382 0.254 18167 3677 1 4 . 1 1 136 136 THR C C 154 173.904 173.904 173.707 0.197 18167 3678 1 4 . 1 1 136 136 THR CA C 154 58.391 58.391 59.688 -1.296 18167 3679 1 4 . 1 1 136 136 THR CB C 154 71.387 71.387 70.697 0.690 18167 3680 1 4 . 1 1 136 136 THR H H 154 7.940 7.940 8.522 -0.582 18167 3681 1 4 . 1 1 137 137 ASN N N 155 115.138 115.138 118.828 -3.690 18167 3682 1 4 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.651 0.255 18167 3683 1 4 . 1 1 137 137 ASN C C 155 174.994 174.994 175.315 -0.321 18167 3684 1 4 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.219 1.126 18167 3685 1 4 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.288 1.518 18167 3686 1 4 . 1 1 137 137 ASN H H 155 8.938 8.938 8.550 0.388 18167 3687 1 4 . 1 1 138 138 ARG N N 156 125.040 125.040 123.025 2.015 18167 3688 1 4 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.018 -0.061 18167 3689 1 4 . 1 1 138 138 ARG C C 156 175.870 175.870 176.245 -0.375 18167 3690 1 4 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.101 0.023 18167 3691 1 4 . 1 1 138 138 ARG CB C 156 27.659 27.659 27.329 0.330 18167 3692 1 4 . 1 1 138 138 ARG H H 156 9.364 9.364 9.001 0.363 18167 3693 1 4 . 1 1 139 139 GLY N N 157 104.408 104.408 102.387 2.021 18167 3694 1 4 . 1 1 139 139 GLY C C 157 173.563 173.563 173.694 -0.131 18167 3695 1 4 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.918 0.903 18167 3696 1 4 . 1 1 139 139 GLY H H 157 8.862 8.862 8.429 0.433 18167 3697 1 4 . 1 1 140 140 LYS N N 158 117.999 117.999 121.245 -3.246 18167 3698 1 4 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.514 0.446 18167 3699 1 4 . 1 1 140 140 LYS C C 158 174.527 174.527 175.120 -0.593 18167 3700 1 4 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.286 -1.564 18167 3701 1 4 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.800 1.063 18167 3702 1 4 . 1 1 140 140 LYS H H 158 7.718 7.718 7.904 -0.186 18167 3703 1 4 . 1 1 141 141 LEU N N 159 124.332 124.332 127.145 -2.813 18167 3704 1 4 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.456 0.174 18167 3705 1 4 . 1 1 141 141 LEU C C 159 175.337 175.337 175.020 0.317 18167 3706 1 4 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.260 -0.021 18167 3707 1 4 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.489 0.384 18167 3708 1 4 . 1 1 141 141 LEU H H 159 9.006 9.006 9.135 -0.129 18167 3709 1 4 . 1 1 142 142 ILE N N 160 128.619 128.619 127.565 1.054 18167 3710 1 4 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.534 0.195 18167 3711 1 4 . 1 1 142 142 ILE C C 160 173.414 173.414 174.677 -1.263 18167 3712 1 4 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.472 0.761 18167 3713 1 4 . 1 1 142 142 ILE CB C 160 40.184 40.184 41.195 -1.011 18167 3714 1 4 . 1 1 142 142 ILE H H 160 9.129 9.129 9.033 0.096 18167 3715 1 4 . 1 1 143 143 THR N N 161 122.266 122.266 122.585 -0.319 18167 3716 1 4 . 1 1 143 143 THR HA H 161 4.797 4.797 5.329 -0.532 18167 3717 1 4 . 1 1 143 143 THR C C 161 171.903 171.903 173.193 -1.290 18167 3718 1 4 . 1 1 143 143 THR CA C 161 61.666 61.666 60.920 0.746 18167 3719 1 4 . 1 1 143 143 THR CB C 161 70.025 70.025 71.583 -1.558 18167 3720 1 4 . 1 1 143 143 THR H H 161 8.818 8.818 8.266 0.552 18167 3721 1 4 . 1 1 144 144 PHE N N 162 130.742 130.742 125.952 4.790 18167 3722 1 4 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.691 0.099 18167 3723 1 4 . 1 1 144 144 PHE C C 162 173.404 173.404 173.535 -0.131 18167 3724 1 4 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.206 -0.986 18167 3725 1 4 . 1 1 144 144 PHE CB C 162 39.740 39.740 40.747 -1.007 18167 3726 1 4 . 1 1 144 144 PHE H H 162 9.219 9.219 8.992 0.227 18167 3727 1 4 . 1 1 145 145 ASP N N 163 127.154 127.154 127.409 -0.255 18167 3728 1 4 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.031 -0.075 18167 3729 1 4 . 1 1 145 145 ASP C C 163 174.933 174.933 174.622 0.311 18167 3730 1 4 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.102 0.308 18167 3731 1 4 . 1 1 145 145 ASP CB C 163 43.324 43.324 41.988 1.336 18167 3732 1 4 . 1 1 145 145 ASP H H 163 8.862 8.862 8.374 0.488 18167 3733 1 4 . 1 1 146 146 LEU N N 164 131.658 131.658 127.961 3.697 18167 3734 1 4 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.830 -0.235 18167 3735 1 4 . 1 1 146 146 LEU C C 164 174.511 174.511 175.327 -0.816 18167 3736 1 4 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.090 -0.119 18167 3737 1 4 . 1 1 146 146 LEU CB C 164 43.097 43.097 44.932 -1.835 18167 3738 1 4 . 1 1 146 146 LEU H H 164 8.938 8.938 8.512 0.426 18167 3739 1 4 . 1 1 147 147 SER N N 165 114.966 114.966 117.867 -2.901 18167 3740 1 4 . 1 1 147 147 SER HA H 165 5.186 5.186 5.329 -0.143 18167 3741 1 4 . 1 1 147 147 SER C C 165 173.417 173.417 173.745 -0.328 18167 3742 1 4 . 1 1 147 147 SER CA C 165 56.600 56.600 56.783 -0.183 18167 3743 1 4 . 1 1 147 147 SER CB C 165 67.205 67.205 65.994 1.211 18167 3744 1 4 . 1 1 147 147 SER H H 165 8.995 8.995 8.608 0.387 18167 3745 1 4 . 1 1 148 148 THR N N 166 118.620 118.620 118.506 0.114 18167 3746 1 4 . 1 1 148 148 THR HA H 166 5.144 5.144 4.651 0.493 18167 3747 1 4 . 1 1 148 148 THR C C 166 173.151 173.151 172.900 0.251 18167 3748 1 4 . 1 1 148 148 THR CA C 166 60.362 60.362 62.186 -1.824 18167 3749 1 4 . 1 1 148 148 THR CB C 166 69.214 69.214 73.278 -4.064 18167 3750 1 4 . 1 1 148 148 THR H H 166 8.614 8.614 7.997 0.617 18167 3751 1 4 . 1 1 149 149 ALA N N 167 124.595 124.595 125.212 -0.617 18167 3752 1 4 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.214 0.391 18167 3753 1 4 . 1 1 149 149 ALA C C 167 179.460 179.460 178.410 1.050 18167 3754 1 4 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.467 -0.911 18167 3755 1 4 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.471 0.787 18167 3756 1 4 . 1 1 149 149 ALA H H 167 8.107 8.107 8.364 -0.257 18167 3757 1 4 . 1 1 150 150 GLU N N 168 123.906 123.906 122.568 1.338 18167 3758 1 4 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.763 0.735 18167 3759 1 4 . 1 1 150 150 GLU C C 168 178.587 178.587 177.657 0.930 18167 3760 1 4 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.927 0.019 18167 3761 1 4 . 1 1 150 150 GLU CB C 168 28.707 28.707 28.902 -0.195 18167 3762 1 4 . 1 1 150 150 GLU H H 168 8.471 8.471 8.870 -0.399 18167 3763 1 4 . 1 1 151 151 ASP N N 169 114.005 114.005 119.268 -5.263 18167 3764 1 4 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.418 0.065 18167 3765 1 4 . 1 1 151 151 ASP C C 169 177.260 177.260 177.379 -0.119 18167 3766 1 4 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.239 -0.320 18167 3767 1 4 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.608 -0.523 18167 3768 1 4 . 1 1 151 151 ASP H H 169 8.575 8.575 8.723 -0.148 18167 3769 1 4 . 1 1 152 152 ARG N N 170 118.283 118.283 117.005 1.278 18167 3770 1 4 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.609 -0.278 18167 3771 1 4 . 1 1 152 152 ARG C C 170 177.094 177.094 177.519 -0.425 18167 3772 1 4 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.902 -0.066 18167 3773 1 4 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.230 0.754 18167 3774 1 4 . 1 1 152 152 ARG H H 170 7.663 7.663 7.547 0.116 18167 3775 1 4 . 1 1 153 153 TRP N N 171 122.336 122.336 123.442 -1.106 18167 3776 1 4 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.507 -0.597 18167 3777 1 4 . 1 1 153 153 TRP C C 171 175.820 175.820 176.324 -0.504 18167 3778 1 4 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.680 -0.804 18167 3779 1 4 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.357 0.051 18167 3780 1 4 . 1 1 153 153 TRP H H 171 7.689 7.689 8.009 -0.320 18167 3781 1 4 . 1 1 154 154 ASP N N 172 114.179 114.179 116.543 -2.364 18167 3782 1 4 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.533 -0.516 18167 3783 1 4 . 1 1 154 154 ASP C C 172 178.442 178.442 179.454 -1.012 18167 3784 1 4 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.281 0.222 18167 3785 1 4 . 1 1 154 154 ASP CB C 172 40.164 40.164 41.053 -0.888 18167 3786 1 4 . 1 1 154 154 ASP H H 172 8.690 8.690 8.295 0.395 18167 3787 1 4 . 1 1 155 155 THR N N 173 114.661 114.661 116.026 -1.365 18167 3788 1 4 . 1 1 155 155 THR HA H 173 3.990 3.990 4.097 -0.107 18167 3789 1 4 . 1 1 155 155 THR C C 173 175.985 175.985 175.864 0.121 18167 3790 1 4 . 1 1 155 155 THR CA C 173 65.585 65.585 65.852 -0.267 18167 3791 1 4 . 1 1 155 155 THR CB C 173 69.076 69.076 69.269 -0.193 18167 3792 1 4 . 1 1 155 155 THR H H 173 7.635 7.635 7.804 -0.169 18167 3793 1 4 . 1 1 156 156 VAL N N 174 113.687 113.687 112.044 1.643 18167 3794 1 4 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.338 -0.061 18167 3795 1 4 . 1 1 156 156 VAL C C 174 176.185 176.185 175.175 1.010 18167 3796 1 4 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.328 1.116 18167 3797 1 4 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.771 2.382 18167 3798 1 4 . 1 1 156 156 VAL H H 174 7.447 7.447 7.765 -0.318 18167 3799 1 4 . 1 1 157 157 LYS N N 175 123.084 123.084 120.523 2.561 18167 3800 1 4 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.540 -0.696 18167 3801 1 4 . 1 1 157 157 LYS C C 175 177.321 177.321 177.856 -0.535 18167 3802 1 4 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.497 0.722 18167 3803 1 4 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.777 -1.582 18167 3804 1 4 . 1 1 157 157 LYS H H 175 7.548 7.548 7.155 0.393 18167 3805 1 4 . 1 1 158 158 SER N N 176 114.046 114.046 114.527 -0.481 18167 3806 1 4 . 1 1 158 158 SER HA H 176 3.820 3.820 4.199 -0.379 18167 3807 1 4 . 1 1 158 158 SER C C 176 176.927 176.927 176.035 0.892 18167 3808 1 4 . 1 1 158 158 SER CA C 176 61.600 61.600 60.474 1.127 18167 3809 1 4 . 1 1 158 158 SER CB C 176 62.048 62.048 62.646 -0.598 18167 3810 1 4 . 1 1 158 158 SER H H 176 8.161 8.161 8.144 0.017 18167 3811 1 4 . 1 1 159 159 LEU N N 177 126.125 126.125 123.686 2.439 18167 3812 1 4 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.806 0.367 18167 3813 1 4 . 1 1 159 159 LEU C C 177 178.403 178.403 177.676 0.727 18167 3814 1 4 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.847 -0.145 18167 3815 1 4 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.212 -0.137 18167 3816 1 4 . 1 1 159 159 LEU H H 177 7.587 7.587 6.829 0.758 18167 3817 1 4 . 1 1 160 160 PHE N N 178 119.582 119.582 117.581 2.001 18167 3818 1 4 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.904 0.378 18167 3819 1 4 . 1 1 160 160 PHE C C 178 177.277 177.277 177.678 -0.401 18167 3820 1 4 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.723 -3.013 18167 3821 1 4 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.467 -1.927 18167 3822 1 4 . 1 1 160 160 PHE H H 178 9.067 9.067 6.779 2.288 18167 3823 1 4 . 1 1 161 161 ASP N N 179 120.599 120.599 119.415 1.184 18167 3824 1 4 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.420 -0.080 18167 3825 1 4 . 1 1 161 161 ASP C C 179 179.216 179.216 178.880 0.336 18167 3826 1 4 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.182 0.720 18167 3827 1 4 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.065 0.892 18167 3828 1 4 . 1 1 161 161 ASP H H 179 8.578 8.578 7.663 0.915 18167 3829 1 4 . 1 1 162 162 THR N N 180 118.300 118.300 118.125 0.175 18167 3830 1 4 . 1 1 162 162 THR HA H 180 3.849 3.849 4.017 -0.168 18167 3831 1 4 . 1 1 162 162 THR C C 180 176.875 176.875 176.552 0.323 18167 3832 1 4 . 1 1 162 162 THR CA C 180 66.977 66.977 67.107 -0.130 18167 3833 1 4 . 1 1 162 162 THR CB C 180 68.886 68.886 68.692 0.194 18167 3834 1 4 . 1 1 162 162 THR H H 180 7.771 7.771 8.389 -0.618 18167 3835 1 4 . 1 1 163 163 VAL N N 181 123.234 123.234 121.814 1.420 18167 3836 1 4 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.463 0.131 18167 3837 1 4 . 1 1 163 163 VAL C C 181 180.016 180.016 177.629 2.387 18167 3838 1 4 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.951 -0.195 18167 3839 1 4 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.349 0.363 18167 3840 1 4 . 1 1 163 163 VAL H H 181 8.831 8.831 8.363 0.468 18167 3841 1 4 . 1 1 164 164 ALA N N 182 124.654 124.654 121.495 3.159 18167 3842 1 4 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.431 0.831 18167 3843 1 4 . 1 1 164 164 ALA C C 182 180.510 180.510 179.155 1.355 18167 3844 1 4 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.520 1.940 18167 3845 1 4 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.285 -0.722 18167 3846 1 4 . 1 1 164 164 ALA H H 182 9.662 9.662 8.075 1.587 18167 3847 1 4 . 1 1 165 165 SER N N 183 112.325 112.325 113.422 -1.097 18167 3848 1 4 . 1 1 165 165 SER HA H 183 4.173 4.173 4.318 -0.145 18167 3849 1 4 . 1 1 165 165 SER C C 183 173.817 173.817 176.092 -2.275 18167 3850 1 4 . 1 1 165 165 SER CA C 183 61.155 61.155 60.887 0.268 18167 3851 1 4 . 1 1 165 165 SER CB C 183 63.140 63.140 63.556 -0.416 18167 3852 1 4 . 1 1 165 165 SER H H 183 7.988 7.988 8.086 -0.098 18167 3853 1 4 . 1 1 166 166 SER N N 184 117.332 117.332 116.026 1.306 18167 3854 1 4 . 1 1 166 166 SER HA H 184 4.356 4.356 4.381 -0.025 18167 3855 1 4 . 1 1 166 166 SER C C 184 174.163 174.163 175.191 -1.028 18167 3856 1 4 . 1 1 166 166 SER CA C 184 59.502 59.502 60.588 -1.086 18167 3857 1 4 . 1 1 166 166 SER CB C 184 63.416 63.416 63.638 -0.222 18167 3858 1 4 . 1 1 166 166 SER H H 184 7.766 7.766 8.240 -0.474 18167 3859 1 4 . 1 1 167 167 PHE N N 185 124.827 124.827 119.707 5.120 18167 3860 1 4 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.789 0.374 18167 3861 1 4 . 1 1 167 167 PHE C C 185 174.545 174.545 175.223 -0.678 18167 3862 1 4 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.072 -0.570 18167 3863 1 4 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.886 -1.496 18167 3864 1 4 . 1 1 167 167 PHE H H 185 7.101 7.101 7.732 -0.631 18167 3865 1 4 . 1 1 168 168 HIS N N 186 127.050 127.050 120.305 6.745 18167 3866 1 4 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.590 0.563 18167 3867 1 4 . 1 1 168 168 HIS C C 186 172.836 172.836 173.284 -0.448 18167 3868 1 4 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.946 -0.790 18167 3869 1 4 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.099 -2.095 18167 3870 1 4 . 1 1 168 168 HIS H H 186 8.645 8.645 8.693 -0.048 18167 3871 1 4 . 1 1 169 169 VAL N N 187 114.268 114.268 117.622 -3.354 18167 3872 1 4 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.312 -0.152 18167 3873 1 4 . 1 1 169 169 VAL C C 187 174.449 174.449 174.325 0.124 18167 3874 1 4 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.195 -0.842 18167 3875 1 4 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.845 -1.436 18167 3876 1 4 . 1 1 169 169 VAL H H 187 7.466 7.466 7.482 -0.016 18167 3877 1 5 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.433 0.039 18167 3878 1 5 . 1 1 2 2 PRO C C 20 177.006 177.006 176.739 0.267 18167 3879 1 5 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.790 0.250 18167 3880 1 5 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.340 -0.277 18167 3881 1 5 . 1 1 3 3 LEU N N 21 122.423 122.423 122.352 0.071 18167 3882 1 5 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.300 0.041 18167 3883 1 5 . 1 1 3 3 LEU C C 21 177.928 177.928 178.192 -0.264 18167 3884 1 5 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.789 -0.471 18167 3885 1 5 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.021 0.245 18167 3886 1 5 . 1 1 3 3 LEU H H 21 8.551 8.551 8.349 0.202 18167 3887 1 5 . 1 1 4 4 GLY N N 22 109.759 109.759 112.236 -2.477 18167 3888 1 5 . 1 1 4 4 GLY C C 22 174.309 174.309 174.615 -0.306 18167 3889 1 5 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.695 0.535 18167 3890 1 5 . 1 1 4 4 GLY H H 22 8.423 8.423 8.869 -0.446 18167 3891 1 5 . 1 1 5 5 SER N N 23 115.538 115.538 115.609 -0.071 18167 3892 1 5 . 1 1 5 5 SER HA H 23 4.488 4.488 4.539 -0.051 18167 3893 1 5 . 1 1 5 5 SER C C 23 174.841 174.841 174.812 0.029 18167 3894 1 5 . 1 1 5 5 SER CA C 23 58.329 58.329 58.243 0.086 18167 3895 1 5 . 1 1 5 5 SER CB C 23 63.957 63.957 64.384 -0.427 18167 3896 1 5 . 1 1 5 5 SER H H 23 8.233 8.233 7.980 0.253 18167 3897 1 5 . 1 1 6 6 CYS N N 24 120.699 120.699 122.783 -2.084 18167 3898 1 5 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.720 -0.178 18167 3899 1 5 . 1 1 6 6 CYS C C 24 175.079 175.079 174.889 0.190 18167 3900 1 5 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.992 -0.275 18167 3901 1 5 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.611 -0.642 18167 3902 1 5 . 1 1 6 6 CYS H H 24 8.493 8.493 8.498 -0.005 18167 3903 1 5 . 1 1 7 7 GLY N N 25 110.895 110.895 113.937 -3.042 18167 3904 1 5 . 1 1 7 7 GLY C C 25 174.402 174.402 173.896 0.506 18167 3905 1 5 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.663 0.815 18167 3906 1 5 . 1 1 7 7 GLY H H 25 8.449 8.449 8.446 0.003 18167 3907 1 5 . 1 1 8 8 GLY N N 26 108.733 108.733 107.468 1.265 18167 3908 1 5 . 1 1 8 8 GLY C C 26 174.113 174.113 174.156 -0.043 18167 3909 1 5 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.791 0.389 18167 3910 1 5 . 1 1 8 8 GLY H H 26 8.236 8.236 8.154 0.082 18167 3911 1 5 . 1 1 9 9 VAL N N 27 118.903 118.903 121.273 -2.370 18167 3912 1 5 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.199 -0.075 18167 3913 1 5 . 1 1 9 9 VAL C C 27 176.630 176.630 176.671 -0.041 18167 3914 1 5 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.679 0.706 18167 3915 1 5 . 1 1 9 9 VAL CB C 27 32.521 32.521 34.175 -1.654 18167 3916 1 5 . 1 1 9 9 VAL H H 27 8.019 8.019 8.192 -0.173 18167 3917 1 5 . 1 1 10 10 GLY N N 28 112.317 112.317 113.314 -0.997 18167 3918 1 5 . 1 1 10 10 GLY C C 28 174.378 174.378 175.562 -1.184 18167 3919 1 5 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.178 1.168 18167 3920 1 5 . 1 1 10 10 GLY H H 28 8.483 8.483 8.294 0.189 18167 3921 1 5 . 1 1 11 11 ILE N N 29 119.788 119.788 120.854 -1.066 18167 3922 1 5 . 1 1 11 11 ILE HA H 29 4.081 4.081 3.904 0.177 18167 3923 1 5 . 1 1 11 11 ILE C C 29 176.168 176.168 176.928 -0.760 18167 3924 1 5 . 1 1 11 11 ILE CA C 29 61.412 61.412 61.465 -0.053 18167 3925 1 5 . 1 1 11 11 ILE CB C 29 38.557 38.557 36.968 1.589 18167 3926 1 5 . 1 1 11 11 ILE H H 29 7.948 7.948 8.469 -0.521 18167 3927 1 5 . 1 1 12 12 ALA N N 30 126.009 126.009 120.414 5.595 18167 3928 1 5 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.529 -0.241 18167 3929 1 5 . 1 1 12 12 ALA C C 30 177.504 177.504 176.071 1.433 18167 3930 1 5 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.892 0.974 18167 3931 1 5 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.573 -1.607 18167 3932 1 5 . 1 1 12 12 ALA H H 30 8.247 8.247 7.577 0.669 18167 3933 1 5 . 1 1 13 13 SER N N 31 113.949 113.949 114.759 -0.810 18167 3934 1 5 . 1 1 13 13 SER HA H 31 4.392 4.392 4.698 -0.306 18167 3935 1 5 . 1 1 13 13 SER C C 31 173.644 173.644 172.568 1.076 18167 3936 1 5 . 1 1 13 13 SER CA C 31 58.329 58.329 57.552 0.777 18167 3937 1 5 . 1 1 13 13 SER CB C 31 63.609 63.609 64.702 -1.093 18167 3938 1 5 . 1 1 13 13 SER H H 31 8.045 8.045 8.193 -0.148 18167 3939 1 5 . 1 1 14 14 LEU N N 32 122.240 122.240 121.681 0.559 18167 3940 1 5 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.391 0.154 18167 3941 1 5 . 1 1 14 14 LEU C C 32 176.001 176.001 175.333 0.668 18167 3942 1 5 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.214 -0.337 18167 3943 1 5 . 1 1 14 14 LEU CB C 32 44.245 44.245 45.121 -0.876 18167 3944 1 5 . 1 1 14 14 LEU H H 32 7.749 7.749 8.346 -0.597 18167 3945 1 5 . 1 1 15 15 GLN N N 33 120.685 120.685 118.853 1.832 18167 3946 1 5 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.626 -0.244 18167 3947 1 5 . 1 1 15 15 GLN C C 33 172.944 172.944 173.387 -0.443 18167 3948 1 5 . 1 1 15 15 GLN CA C 33 53.461 53.461 54.328 -0.867 18167 3949 1 5 . 1 1 15 15 GLN CB C 33 30.743 30.743 32.187 -1.444 18167 3950 1 5 . 1 1 15 15 GLN H H 33 8.780 8.780 8.147 0.633 18167 3951 1 5 . 1 1 16 16 ARG N N 34 120.341 120.341 118.700 1.641 18167 3952 1 5 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.717 0.187 18167 3953 1 5 . 1 1 16 16 ARG C C 34 175.846 175.846 174.612 1.234 18167 3954 1 5 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.786 0.915 18167 3955 1 5 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.824 -0.082 18167 3956 1 5 . 1 1 16 16 ARG H H 34 8.274 8.274 8.402 -0.128 18167 3957 1 5 . 1 1 17 17 TYR N N 35 128.733 128.733 124.247 4.486 18167 3958 1 5 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.698 -0.140 18167 3959 1 5 . 1 1 17 17 TYR C C 35 173.307 173.307 173.067 0.240 18167 3960 1 5 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.981 -0.248 18167 3961 1 5 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.556 0.027 18167 3962 1 5 . 1 1 17 17 TYR H H 35 9.104 9.104 8.213 0.891 18167 3963 1 5 . 1 1 18 18 SER N N 36 119.150 119.150 121.312 -2.162 18167 3964 1 5 . 1 1 18 18 SER HA H 36 4.786 4.786 4.903 -0.117 18167 3965 1 5 . 1 1 18 18 SER C C 36 172.002 172.002 172.199 -0.197 18167 3966 1 5 . 1 1 18 18 SER CA C 36 56.341 56.341 56.603 -0.262 18167 3967 1 5 . 1 1 18 18 SER CB C 36 65.327 65.327 66.409 -1.082 18167 3968 1 5 . 1 1 18 18 SER H H 36 7.398 7.398 7.886 -0.488 18167 3969 1 5 . 1 1 19 19 ASP N N 37 124.935 124.935 122.409 2.526 18167 3970 1 5 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.978 -0.307 18167 3971 1 5 . 1 1 19 19 ASP C C 37 176.089 176.089 176.717 -0.628 18167 3972 1 5 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.145 -0.336 18167 3973 1 5 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.630 -1.165 18167 3974 1 5 . 1 1 19 19 ASP H H 37 8.607 8.607 8.429 0.178 18167 3975 1 5 . 1 1 20 20 THR N N 38 117.032 117.032 116.728 0.304 18167 3976 1 5 . 1 1 20 20 THR HA H 38 4.316 4.316 4.015 0.301 18167 3977 1 5 . 1 1 20 20 THR C C 38 175.794 175.794 175.963 -0.169 18167 3978 1 5 . 1 1 20 20 THR CA C 38 63.123 63.123 64.454 -1.331 18167 3979 1 5 . 1 1 20 20 THR CB C 38 68.905 68.905 69.294 -0.390 18167 3980 1 5 . 1 1 20 20 THR H H 38 8.470 8.470 8.514 -0.044 18167 3981 1 5 . 1 1 21 21 LYS N N 39 124.893 124.893 121.355 3.538 18167 3982 1 5 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.044 0.145 18167 3983 1 5 . 1 1 21 21 LYS C C 39 177.678 177.678 179.027 -1.349 18167 3984 1 5 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.327 -0.532 18167 3985 1 5 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.153 -0.485 18167 3986 1 5 . 1 1 21 21 LYS H H 39 8.201 8.201 7.799 0.402 18167 3987 1 5 . 1 1 22 22 ASP N N 40 118.183 118.183 115.752 2.431 18167 3988 1 5 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.620 0.201 18167 3989 1 5 . 1 1 22 22 ASP C C 40 176.752 176.752 177.283 -0.531 18167 3990 1 5 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.169 0.710 18167 3991 1 5 . 1 1 22 22 ASP CB C 40 41.869 41.869 41.094 0.775 18167 3992 1 5 . 1 1 22 22 ASP H H 40 8.480 8.480 8.473 0.007 18167 3993 1 5 . 1 1 23 23 GLY N N 41 108.978 108.978 108.588 0.390 18167 3994 1 5 . 1 1 23 23 GLY C C 41 172.396 172.396 173.456 -1.060 18167 3995 1 5 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.747 1.369 18167 3996 1 5 . 1 1 23 23 GLY H H 41 7.421 7.421 8.231 -0.810 18167 3997 1 5 . 1 1 24 24 TYR N N 42 112.046 112.046 116.467 -4.421 18167 3998 1 5 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.880 -0.486 18167 3999 1 5 . 1 1 24 24 TYR C C 42 173.028 173.028 173.065 -0.037 18167 4000 1 5 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.464 1.368 18167 4001 1 5 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.895 -0.041 18167 4002 1 5 . 1 1 24 24 TYR H H 42 7.506 7.506 7.878 -0.372 18167 4003 1 5 . 1 1 25 25 GLU N N 43 117.470 117.470 119.801 -2.331 18167 4004 1 5 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.090 0.378 18167 4005 1 5 . 1 1 25 25 GLU C C 43 173.311 173.311 174.398 -1.087 18167 4006 1 5 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.157 -0.926 18167 4007 1 5 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.597 0.028 18167 4008 1 5 . 1 1 25 25 GLU H H 43 8.934 8.934 8.789 0.145 18167 4009 1 5 . 1 1 26 26 PHE N N 44 112.795 112.795 116.149 -3.354 18167 4010 1 5 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.143 -0.301 18167 4011 1 5 . 1 1 26 26 PHE C C 44 172.776 172.776 173.175 -0.399 18167 4012 1 5 . 1 1 26 26 PHE CA C 44 56.616 56.616 57.169 -0.553 18167 4013 1 5 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.840 -1.391 18167 4014 1 5 . 1 1 26 26 PHE H H 44 8.532 8.532 8.307 0.225 18167 4015 1 5 . 1 1 27 27 LEU N N 45 119.784 119.784 122.234 -2.450 18167 4016 1 5 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.979 0.541 18167 4017 1 5 . 1 1 27 27 LEU C C 45 174.965 174.965 176.667 -1.702 18167 4018 1 5 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.972 -1.198 18167 4019 1 5 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.437 1.213 18167 4020 1 5 . 1 1 27 27 LEU H H 45 9.241 9.241 8.498 0.743 18167 4021 1 5 . 1 1 28 28 TYR N N 46 113.008 113.008 119.042 -6.034 18167 4022 1 5 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.584 0.329 18167 4023 1 5 . 1 1 28 28 TYR C C 46 171.354 171.354 172.284 -0.930 18167 4024 1 5 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.607 0.150 18167 4025 1 5 . 1 1 28 28 TYR CB C 46 38.147 38.147 37.778 0.369 18167 4026 1 5 . 1 1 28 28 TYR H H 46 8.951 8.951 8.305 0.647 18167 4027 1 5 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.854 0.153 18167 4028 1 5 . 1 1 29 29 PRO C C 47 176.165 176.165 175.851 0.314 18167 4029 1 5 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.837 0.481 18167 4030 1 5 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.156 -0.816 18167 4031 1 5 . 1 1 30 30 ASN N N 48 119.923 119.923 119.625 0.298 18167 4032 1 5 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.336 -0.073 18167 4033 1 5 . 1 1 30 30 ASN C C 48 176.347 176.347 176.342 0.005 18167 4034 1 5 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.019 2.182 18167 4035 1 5 . 1 1 30 30 ASN CB C 48 38.588 38.588 39.077 -0.489 18167 4036 1 5 . 1 1 30 30 ASN H H 48 8.163 8.163 7.894 0.269 18167 4037 1 5 . 1 1 31 31 GLY N N 49 111.442 111.442 107.654 3.788 18167 4038 1 5 . 1 1 31 31 GLY C C 49 174.985 174.985 174.949 0.036 18167 4039 1 5 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.221 0.171 18167 4040 1 5 . 1 1 31 31 GLY H H 49 8.702 8.702 8.772 -0.070 18167 4041 1 5 . 1 1 32 32 TRP N N 50 122.100 122.100 119.754 2.346 18167 4042 1 5 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.107 0.235 18167 4043 1 5 . 1 1 32 32 TRP C C 50 176.370 176.370 177.378 -1.008 18167 4044 1 5 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.334 0.959 18167 4045 1 5 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.251 -0.147 18167 4046 1 5 . 1 1 32 32 TRP H H 50 8.008 8.008 7.756 0.252 18167 4047 1 5 . 1 1 33 33 ILE N N 51 117.163 117.163 118.651 -1.488 18167 4048 1 5 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.848 0.107 18167 4049 1 5 . 1 1 33 33 ILE C C 51 175.549 175.549 174.724 0.825 18167 4050 1 5 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.880 -0.652 18167 4051 1 5 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.084 1.005 18167 4052 1 5 . 1 1 33 33 ILE H H 51 9.249 9.249 8.369 0.880 18167 4053 1 5 . 1 1 34 34 GLY N N 52 111.812 111.812 110.090 1.722 18167 4054 1 5 . 1 1 34 34 GLY C C 52 173.956 173.956 173.583 0.373 18167 4055 1 5 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.219 1.185 18167 4056 1 5 . 1 1 34 34 GLY H H 52 8.787 8.787 8.260 0.527 18167 4057 1 5 . 1 1 35 35 VAL N N 53 122.174 122.174 120.261 1.913 18167 4058 1 5 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.522 -0.378 18167 4059 1 5 . 1 1 35 35 VAL C C 53 174.921 174.921 174.916 0.005 18167 4060 1 5 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.191 0.466 18167 4061 1 5 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.940 -0.900 18167 4062 1 5 . 1 1 35 35 VAL H H 53 7.763 7.763 8.126 -0.363 18167 4063 1 5 . 1 1 36 36 ASP N N 54 125.424 125.424 125.027 0.397 18167 4064 1 5 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.715 -0.126 18167 4065 1 5 . 1 1 36 36 ASP C C 54 176.890 176.890 176.123 0.767 18167 4066 1 5 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.188 0.262 18167 4067 1 5 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.627 -0.453 18167 4068 1 5 . 1 1 36 36 ASP H H 54 8.425 8.425 8.448 -0.023 18167 4069 1 5 . 1 1 37 37 VAL N N 55 120.335 120.335 121.091 -0.756 18167 4070 1 5 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.252 -0.084 18167 4071 1 5 . 1 1 37 37 VAL C C 55 176.785 176.785 175.753 1.032 18167 4072 1 5 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.262 0.657 18167 4073 1 5 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.239 -0.449 18167 4074 1 5 . 1 1 37 37 VAL H H 55 8.215 8.215 8.371 -0.156 18167 4075 1 5 . 1 1 38 38 LYS N N 56 124.881 124.881 123.066 1.815 18167 4076 1 5 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.163 0.039 18167 4077 1 5 . 1 1 38 38 LYS C C 56 177.828 177.828 178.133 -0.305 18167 4078 1 5 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.893 0.110 18167 4079 1 5 . 1 1 38 38 LYS CB C 56 31.637 31.637 31.919 -0.282 18167 4080 1 5 . 1 1 38 38 LYS H H 56 8.331 8.331 8.023 0.308 18167 4081 1 5 . 1 1 39 39 GLY N N 57 111.152 111.152 111.784 -0.632 18167 4082 1 5 . 1 1 39 39 GLY C C 57 174.253 174.253 173.966 0.287 18167 4083 1 5 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.971 0.389 18167 4084 1 5 . 1 1 39 39 GLY H H 57 8.651 8.651 8.821 -0.170 18167 4085 1 5 . 1 1 40 40 ALA N N 58 123.085 123.085 122.527 0.558 18167 4086 1 5 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.487 -0.104 18167 4087 1 5 . 1 1 40 40 ALA C C 58 177.125 177.125 177.010 0.115 18167 4088 1 5 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.339 1.015 18167 4089 1 5 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.626 -0.009 18167 4090 1 5 . 1 1 40 40 ALA H H 58 7.839 7.839 7.874 -0.035 18167 4091 1 5 . 1 1 41 41 SER N N 59 115.088 115.088 115.143 -0.055 18167 4092 1 5 . 1 1 41 41 SER HA H 59 4.688 4.688 4.432 0.256 18167 4093 1 5 . 1 1 41 41 SER C C 59 171.885 171.885 173.315 -1.430 18167 4094 1 5 . 1 1 41 41 SER CA C 59 56.951 56.951 57.726 -0.775 18167 4095 1 5 . 1 1 41 41 SER CB C 59 63.123 63.123 62.917 0.206 18167 4096 1 5 . 1 1 41 41 SER H H 59 8.186 8.186 8.234 -0.048 18167 4097 1 5 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.416 -0.067 18167 4098 1 5 . 1 1 42 42 PRO C C 60 177.660 177.660 177.540 0.120 18167 4099 1 5 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.763 0.462 18167 4100 1 5 . 1 1 42 42 PRO CB C 60 31.541 31.541 32.070 -0.529 18167 4101 1 5 . 1 1 43 43 GLY N N 61 111.997 111.997 111.277 0.720 18167 4102 1 5 . 1 1 43 43 GLY C C 61 174.070 174.070 174.204 -0.134 18167 4103 1 5 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.947 0.667 18167 4104 1 5 . 1 1 43 43 GLY H H 61 8.730 8.730 8.565 0.165 18167 4105 1 5 . 1 1 44 44 VAL N N 62 120.539 120.539 121.760 -1.221 18167 4106 1 5 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.783 0.494 18167 4107 1 5 . 1 1 44 44 VAL C C 62 175.277 175.277 175.030 0.247 18167 4108 1 5 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.410 -1.483 18167 4109 1 5 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.311 0.244 18167 4110 1 5 . 1 1 44 44 VAL H H 62 7.573 7.573 7.457 0.116 18167 4111 1 5 . 1 1 45 45 ASP N N 63 128.619 128.619 127.463 1.156 18167 4112 1 5 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.778 0.129 18167 4113 1 5 . 1 1 45 45 ASP C C 63 176.177 176.177 175.235 0.942 18167 4114 1 5 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.520 1.335 18167 4115 1 5 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.809 0.466 18167 4116 1 5 . 1 1 45 45 ASP H H 63 9.084 9.084 8.275 0.809 18167 4117 1 5 . 1 1 46 46 VAL N N 64 115.687 115.687 117.740 -2.053 18167 4118 1 5 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.237 0.073 18167 4119 1 5 . 1 1 46 46 VAL C C 64 172.853 172.853 173.921 -1.068 18167 4120 1 5 . 1 1 46 46 VAL CA C 64 61.171 61.171 61.005 0.166 18167 4121 1 5 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.788 0.120 18167 4122 1 5 . 1 1 46 46 VAL H H 64 7.314 7.314 7.477 -0.163 18167 4123 1 5 . 1 1 47 47 VAL N N 65 124.933 124.933 122.932 2.001 18167 4124 1 5 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.285 0.771 18167 4125 1 5 . 1 1 47 47 VAL C C 65 175.266 175.266 174.118 1.148 18167 4126 1 5 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.281 -0.199 18167 4127 1 5 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.266 2.401 18167 4128 1 5 . 1 1 47 47 VAL H H 65 8.146 8.146 8.114 0.032 18167 4129 1 5 . 1 1 48 48 PHE N N 66 122.916 122.916 126.271 -3.355 18167 4130 1 5 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.395 0.096 18167 4131 1 5 . 1 1 48 48 PHE C C 66 174.371 174.371 174.974 -0.603 18167 4132 1 5 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.393 0.136 18167 4133 1 5 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.181 1.978 18167 4134 1 5 . 1 1 48 48 PHE H H 66 8.469 8.469 9.088 -0.619 18167 4135 1 5 . 1 1 49 49 ARG N N 67 116.381 116.381 121.282 -4.901 18167 4136 1 5 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.501 0.004 18167 4137 1 5 . 1 1 49 49 ARG C C 67 173.455 173.455 174.142 -0.687 18167 4138 1 5 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.538 -0.704 18167 4139 1 5 . 1 1 49 49 ARG CB C 67 34.898 34.898 33.850 1.048 18167 4140 1 5 . 1 1 49 49 ARG H H 67 9.271 9.271 8.535 0.736 18167 4141 1 5 . 1 1 50 50 ASP N N 68 121.066 121.066 123.492 -2.426 18167 4142 1 5 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.254 -0.203 18167 4143 1 5 . 1 1 50 50 ASP C C 68 176.670 176.670 176.320 0.350 18167 4144 1 5 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.978 1.638 18167 4145 1 5 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.266 1.635 18167 4146 1 5 . 1 1 50 50 ASP H H 68 7.165 7.165 7.913 -0.748 18167 4147 1 5 . 1 1 51 51 LEU N N 69 124.078 124.078 124.021 0.057 18167 4148 1 5 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.013 0.012 18167 4149 1 5 . 1 1 51 51 LEU C C 69 177.463 177.463 178.294 -0.831 18167 4150 1 5 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.503 -0.095 18167 4151 1 5 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.088 1.061 18167 4152 1 5 . 1 1 51 51 LEU H H 69 8.314 8.314 8.518 -0.204 18167 4153 1 5 . 1 1 52 52 ILE N N 70 118.341 118.341 116.924 1.417 18167 4154 1 5 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.822 0.251 18167 4155 1 5 . 1 1 52 52 ILE C C 70 177.093 177.093 176.453 0.640 18167 4156 1 5 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.314 -1.456 18167 4157 1 5 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.438 1.183 18167 4158 1 5 . 1 1 52 52 ILE H H 70 8.178 8.178 8.045 0.133 18167 4159 1 5 . 1 1 53 53 GLU N N 71 122.254 122.254 117.260 4.994 18167 4160 1 5 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.523 -0.139 18167 4161 1 5 . 1 1 53 53 GLU C C 71 176.084 176.084 176.796 -0.712 18167 4162 1 5 . 1 1 53 53 GLU CA C 71 54.808 54.808 54.930 -0.122 18167 4163 1 5 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.660 -1.902 18167 4164 1 5 . 1 1 53 53 GLU H H 71 8.974 8.974 8.082 0.892 18167 4165 1 5 . 1 1 54 54 ARG N N 72 121.414 121.414 124.406 -2.992 18167 4166 1 5 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.130 -0.148 18167 4167 1 5 . 1 1 54 54 ARG C C 72 176.478 176.478 176.219 0.259 18167 4168 1 5 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.516 -0.276 18167 4169 1 5 . 1 1 54 54 ARG CB C 72 29.964 29.964 29.798 0.166 18167 4170 1 5 . 1 1 54 54 ARG H H 72 8.052 8.052 8.560 -0.508 18167 4171 1 5 . 1 1 55 55 ASP N N 73 117.425 117.425 119.463 -2.038 18167 4172 1 5 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.501 -0.050 18167 4173 1 5 . 1 1 55 55 ASP C C 73 173.783 173.783 175.774 -1.991 18167 4174 1 5 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.457 -1.383 18167 4175 1 5 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.694 0.048 18167 4176 1 5 . 1 1 55 55 ASP H H 73 8.455 8.455 8.463 -0.008 18167 4177 1 5 . 1 1 56 56 GLU N N 74 124.050 124.050 120.018 4.032 18167 4178 1 5 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.714 0.785 18167 4179 1 5 . 1 1 56 56 GLU C C 74 174.110 174.110 175.051 -0.941 18167 4180 1 5 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.213 0.265 18167 4181 1 5 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.873 1.573 18167 4182 1 5 . 1 1 56 56 GLU H H 74 7.773 7.773 7.569 0.204 18167 4183 1 5 . 1 1 57 57 ASN N N 75 119.794 119.794 123.799 -4.005 18167 4184 1 5 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.884 -0.121 18167 4185 1 5 . 1 1 57 57 ASN C C 75 171.893 171.893 172.936 -1.043 18167 4186 1 5 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.770 0.193 18167 4187 1 5 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.816 -0.447 18167 4188 1 5 . 1 1 57 57 ASN H H 75 8.891 8.891 8.784 0.107 18167 4189 1 5 . 1 1 58 58 LEU N N 76 116.438 116.438 123.675 -7.237 18167 4190 1 5 . 1 1 58 58 LEU HA H 76 5.341 5.341 4.912 0.428 18167 4191 1 5 . 1 1 58 58 LEU C C 76 174.630 174.630 174.228 0.402 18167 4192 1 5 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.542 -0.714 18167 4193 1 5 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.944 -0.065 18167 4194 1 5 . 1 1 58 58 LEU H H 76 9.166 9.166 8.747 0.419 18167 4195 1 5 . 1 1 59 59 SER N N 77 114.543 114.543 119.140 -4.597 18167 4196 1 5 . 1 1 59 59 SER HA H 77 5.432 5.432 4.770 0.662 18167 4197 1 5 . 1 1 59 59 SER C C 77 172.602 172.602 172.514 0.088 18167 4198 1 5 . 1 1 59 59 SER CA C 77 56.593 56.593 56.798 -0.205 18167 4199 1 5 . 1 1 59 59 SER CB C 77 66.720 66.720 65.061 1.659 18167 4200 1 5 . 1 1 59 59 SER H H 77 8.352 8.352 8.531 -0.179 18167 4201 1 5 . 1 1 60 60 VAL N N 78 122.017 122.017 125.623 -3.606 18167 4202 1 5 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.397 0.572 18167 4203 1 5 . 1 1 60 60 VAL C C 78 174.861 174.861 174.434 0.427 18167 4204 1 5 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.584 0.600 18167 4205 1 5 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.388 -0.076 18167 4206 1 5 . 1 1 60 60 VAL H H 78 8.306 8.306 8.259 0.047 18167 4207 1 5 . 1 1 61 61 ILE N N 79 128.458 128.458 128.368 0.090 18167 4208 1 5 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.611 0.110 18167 4209 1 5 . 1 1 61 61 ILE C C 79 175.639 175.639 174.383 1.256 18167 4210 1 5 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.700 -0.456 18167 4211 1 5 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.127 1.159 18167 4212 1 5 . 1 1 61 61 ILE H H 79 9.193 9.193 7.895 1.298 18167 4213 1 5 . 1 1 62 62 ILE N N 80 129.957 129.957 127.538 2.419 18167 4214 1 5 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.139 -0.097 18167 4215 1 5 . 1 1 62 62 ILE C C 80 175.727 175.727 174.845 0.882 18167 4216 1 5 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.641 0.517 18167 4217 1 5 . 1 1 62 62 ILE CB C 80 39.777 39.777 41.132 -1.355 18167 4218 1 5 . 1 1 62 62 ILE H H 80 9.140 9.140 9.058 0.082 18167 4219 1 5 . 1 1 63 63 SER N N 81 122.084 122.084 119.897 2.187 18167 4220 1 5 . 1 1 63 63 SER HA H 81 4.878 4.878 4.741 0.137 18167 4221 1 5 . 1 1 63 63 SER C C 81 172.933 172.933 172.000 0.933 18167 4222 1 5 . 1 1 63 63 SER CA C 81 56.689 56.689 56.078 0.611 18167 4223 1 5 . 1 1 63 63 SER CB C 81 65.862 65.862 66.340 -0.478 18167 4224 1 5 . 1 1 63 63 SER H H 81 9.079 9.079 8.996 0.083 18167 4225 1 5 . 1 1 64 64 GLU N N 82 121.983 121.983 121.850 0.133 18167 4226 1 5 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.765 -0.173 18167 4227 1 5 . 1 1 64 64 GLU C C 82 176.501 176.501 176.189 0.312 18167 4228 1 5 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.743 2.098 18167 4229 1 5 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.878 -0.368 18167 4230 1 5 . 1 1 64 64 GLU H H 82 8.664 8.664 8.407 0.257 18167 4231 1 5 . 1 1 65 65 ILE N N 83 121.194 121.194 119.422 1.772 18167 4232 1 5 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.626 -0.049 18167 4233 1 5 . 1 1 65 65 ILE C C 83 173.233 173.233 174.196 -0.963 18167 4234 1 5 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.143 0.655 18167 4235 1 5 . 1 1 65 65 ILE CB C 83 39.488 39.488 38.416 1.072 18167 4236 1 5 . 1 1 65 65 ILE H H 83 8.271 8.271 7.801 0.470 18167 4237 1 5 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.594 -0.143 18167 4238 1 5 . 1 1 66 66 PRO C C 84 177.697 177.697 177.728 -0.031 18167 4239 1 5 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.714 0.483 18167 4240 1 5 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.489 -0.424 18167 4241 1 5 . 1 1 67 67 SER N N 85 116.018 116.018 118.187 -2.169 18167 4242 1 5 . 1 1 67 67 SER HA H 85 4.149 4.149 4.165 -0.016 18167 4243 1 5 . 1 1 67 67 SER C C 85 174.387 174.387 175.178 -0.791 18167 4244 1 5 . 1 1 67 67 SER CA C 85 60.348 60.348 60.380 -0.032 18167 4245 1 5 . 1 1 67 67 SER CB C 85 63.402 63.402 63.136 0.265 18167 4246 1 5 . 1 1 67 67 SER H H 85 8.465 8.465 8.644 -0.179 18167 4247 1 5 . 1 1 68 68 ASP N N 86 118.568 118.568 118.721 -0.153 18167 4248 1 5 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.588 -0.030 18167 4249 1 5 . 1 1 68 68 ASP C C 86 175.732 175.732 176.108 -0.376 18167 4250 1 5 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.290 -1.480 18167 4251 1 5 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.919 -0.701 18167 4252 1 5 . 1 1 68 68 ASP H H 86 8.531 8.531 8.458 0.073 18167 4253 1 5 . 1 1 69 69 LYS N N 87 119.225 119.225 118.104 1.121 18167 4254 1 5 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.535 0.147 18167 4255 1 5 . 1 1 69 69 LYS C C 87 175.814 175.814 174.807 1.007 18167 4256 1 5 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.403 -0.542 18167 4257 1 5 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.477 -1.772 18167 4258 1 5 . 1 1 69 69 LYS H H 87 7.653 7.653 7.689 -0.036 18167 4259 1 5 . 1 1 70 70 THR N N 88 113.175 113.175 113.493 -0.318 18167 4260 1 5 . 1 1 70 70 THR HA H 88 4.529 4.529 4.536 -0.007 18167 4261 1 5 . 1 1 70 70 THR C C 88 175.278 175.278 175.646 -0.368 18167 4262 1 5 . 1 1 70 70 THR CA C 88 60.699 60.699 59.824 0.875 18167 4263 1 5 . 1 1 70 70 THR CB C 88 70.710 70.710 71.011 -0.301 18167 4264 1 5 . 1 1 70 70 THR H H 88 8.608 8.608 8.149 0.459 18167 4265 1 5 . 1 1 71 71 LEU N N 89 121.978 121.978 123.036 -1.058 18167 4266 1 5 . 1 1 71 71 LEU HA H 89 3.937 3.937 4.002 -0.065 18167 4267 1 5 . 1 1 71 71 LEU C C 89 177.698 177.698 177.836 -0.138 18167 4268 1 5 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.400 -0.636 18167 4269 1 5 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.995 0.500 18167 4270 1 5 . 1 1 71 71 LEU H H 89 7.998 7.998 8.853 -0.855 18167 4271 1 5 . 1 1 72 72 THR N N 90 106.680 106.680 109.364 -2.684 18167 4272 1 5 . 1 1 72 72 THR HA H 90 4.221 4.221 4.026 0.195 18167 4273 1 5 . 1 1 72 72 THR C C 90 176.248 176.248 175.441 0.807 18167 4274 1 5 . 1 1 72 72 THR CA C 90 63.648 63.648 64.884 -1.236 18167 4275 1 5 . 1 1 72 72 THR CB C 90 68.620 68.620 68.680 -0.060 18167 4276 1 5 . 1 1 72 72 THR H H 90 7.798 7.798 7.743 0.055 18167 4277 1 5 . 1 1 73 73 ASP N N 91 120.626 120.626 119.955 0.671 18167 4278 1 5 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.512 0.098 18167 4279 1 5 . 1 1 73 73 ASP C C 91 177.133 177.133 178.183 -1.050 18167 4280 1 5 . 1 1 73 73 ASP CA C 91 55.601 55.601 56.155 -0.554 18167 4281 1 5 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.907 0.766 18167 4282 1 5 . 1 1 73 73 ASP H H 91 7.805 7.805 8.018 -0.213 18167 4283 1 5 . 1 1 74 74 LEU N N 92 120.238 120.238 119.204 1.034 18167 4284 1 5 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.090 0.131 18167 4285 1 5 . 1 1 74 74 LEU C C 92 176.907 176.907 177.125 -0.218 18167 4286 1 5 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.658 -1.016 18167 4287 1 5 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.660 -1.337 18167 4288 1 5 . 1 1 74 74 LEU H H 92 8.182 8.182 8.092 0.090 18167 4289 1 5 . 1 1 75 75 GLY N N 93 105.772 105.772 103.301 2.471 18167 4290 1 5 . 1 1 75 75 GLY C C 93 173.853 173.853 171.871 1.982 18167 4291 1 5 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.483 -0.455 18167 4292 1 5 . 1 1 75 75 GLY H H 93 7.713 7.713 7.368 0.345 18167 4293 1 5 . 1 1 76 76 THR N N 94 111.354 111.354 109.474 1.880 18167 4294 1 5 . 1 1 76 76 THR HA H 94 4.426 4.426 4.799 -0.373 18167 4295 1 5 . 1 1 76 76 THR C C 94 174.396 174.396 175.944 -1.548 18167 4296 1 5 . 1 1 76 76 THR CA C 94 61.220 61.220 59.626 1.594 18167 4297 1 5 . 1 1 76 76 THR CB C 94 71.400 71.400 72.111 -0.711 18167 4298 1 5 . 1 1 76 76 THR H H 94 8.842 8.842 8.210 0.632 18167 4299 1 5 . 1 1 77 77 ALA N N 95 122.586 122.586 123.494 -0.908 18167 4300 1 5 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.924 -0.598 18167 4301 1 5 . 1 1 77 77 ALA C C 95 179.120 179.120 179.247 -0.127 18167 4302 1 5 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.437 0.187 18167 4303 1 5 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.972 -0.993 18167 4304 1 5 . 1 1 77 77 ALA H H 95 8.861 8.861 8.923 -0.062 18167 4305 1 5 . 1 1 78 78 THR N N 96 110.298 110.298 114.693 -4.395 18167 4306 1 5 . 1 1 78 78 THR HA H 96 3.479 3.479 3.971 -0.492 18167 4307 1 5 . 1 1 78 78 THR C C 96 175.297 175.297 176.594 -1.297 18167 4308 1 5 . 1 1 78 78 THR CA C 96 66.314 66.314 66.369 -0.055 18167 4309 1 5 . 1 1 78 78 THR CB C 96 68.335 68.335 68.457 -0.122 18167 4310 1 5 . 1 1 78 78 THR H H 96 7.757 7.757 7.757 -0.000 18167 4311 1 5 . 1 1 79 79 ASP N N 97 122.829 122.829 122.754 0.075 18167 4312 1 5 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.616 -0.204 18167 4313 1 5 . 1 1 79 79 ASP C C 97 179.693 179.693 178.776 0.917 18167 4314 1 5 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.295 0.699 18167 4315 1 5 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.779 -0.248 18167 4316 1 5 . 1 1 79 79 ASP H H 97 7.448 7.448 8.156 -0.708 18167 4317 1 5 . 1 1 80 80 VAL N N 98 121.175 121.175 119.084 2.091 18167 4318 1 5 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.690 -0.208 18167 4319 1 5 . 1 1 80 80 VAL C C 98 178.667 178.667 178.036 0.631 18167 4320 1 5 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.533 0.024 18167 4321 1 5 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.706 -0.198 18167 4322 1 5 . 1 1 80 80 VAL H H 98 8.390 8.390 8.770 -0.380 18167 4323 1 5 . 1 1 81 81 GLY N N 99 108.920 108.920 108.111 0.809 18167 4324 1 5 . 1 1 81 81 GLY C C 99 175.133 175.133 176.086 -0.953 18167 4325 1 5 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.358 1.692 18167 4326 1 5 . 1 1 81 81 GLY H H 99 8.630 8.630 7.930 0.700 18167 4327 1 5 . 1 1 82 82 TYR N N 100 121.598 121.598 122.067 -0.469 18167 4328 1 5 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.328 -0.000 18167 4329 1 5 . 1 1 82 82 TYR C C 100 179.383 179.383 178.559 0.824 18167 4330 1 5 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.472 0.267 18167 4331 1 5 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.203 -1.104 18167 4332 1 5 . 1 1 82 82 TYR H H 100 8.880 8.880 8.012 0.868 18167 4333 1 5 . 1 1 83 83 ARG N N 101 121.436 121.436 118.989 2.447 18167 4334 1 5 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.025 0.062 18167 4335 1 5 . 1 1 83 83 ARG C C 101 178.906 178.906 178.863 0.043 18167 4336 1 5 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.972 0.575 18167 4337 1 5 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.698 -0.075 18167 4338 1 5 . 1 1 83 83 ARG H H 101 8.102 8.102 8.307 -0.205 18167 4339 1 5 . 1 1 84 84 PHE N N 102 121.581 121.581 122.687 -1.106 18167 4340 1 5 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.193 0.194 18167 4341 1 5 . 1 1 84 84 PHE C C 102 177.731 177.731 177.187 0.544 18167 4342 1 5 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.389 -1.383 18167 4343 1 5 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.916 -0.674 18167 4344 1 5 . 1 1 84 84 PHE H H 102 8.511 8.511 8.668 -0.157 18167 4345 1 5 . 1 1 85 85 MET N N 103 117.909 117.909 118.063 -0.154 18167 4346 1 5 . 1 1 85 85 MET HA H 103 3.850 3.850 3.829 0.021 18167 4347 1 5 . 1 1 85 85 MET C C 103 178.063 178.063 178.331 -0.268 18167 4348 1 5 . 1 1 85 85 MET CA C 103 57.352 57.352 57.621 -0.269 18167 4349 1 5 . 1 1 85 85 MET CB C 103 33.654 33.654 31.106 2.548 18167 4350 1 5 . 1 1 85 85 MET H H 103 8.350 8.350 7.749 0.601 18167 4351 1 5 . 1 1 86 86 LYS N N 104 118.874 118.874 120.226 -1.352 18167 4352 1 5 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.995 0.009 18167 4353 1 5 . 1 1 86 86 LYS C C 104 177.910 177.910 179.037 -1.127 18167 4354 1 5 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.351 0.097 18167 4355 1 5 . 1 1 86 86 LYS CB C 104 31.685 31.685 31.969 -0.284 18167 4356 1 5 . 1 1 86 86 LYS H H 104 7.578 7.578 7.726 -0.148 18167 4357 1 5 . 1 1 87 87 THR N N 105 114.567 114.567 116.833 -2.266 18167 4358 1 5 . 1 1 87 87 THR HA H 105 3.949 3.949 4.096 -0.147 18167 4359 1 5 . 1 1 87 87 THR C C 105 176.912 176.912 176.731 0.181 18167 4360 1 5 . 1 1 87 87 THR CA C 105 66.108 66.108 66.667 -0.559 18167 4361 1 5 . 1 1 87 87 THR CB C 105 68.909 68.909 68.522 0.387 18167 4362 1 5 . 1 1 87 87 THR H H 105 7.667 7.667 7.936 -0.269 18167 4363 1 5 . 1 1 88 88 VAL N N 106 122.160 122.160 120.415 1.745 18167 4364 1 5 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.404 0.087 18167 4365 1 5 . 1 1 88 88 VAL C C 106 178.950 178.950 178.134 0.816 18167 4366 1 5 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.679 0.145 18167 4367 1 5 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.016 0.493 18167 4368 1 5 . 1 1 88 88 VAL H H 106 7.600 7.600 8.082 -0.482 18167 4369 1 5 . 1 1 89 89 ASN N N 107 120.741 120.741 119.123 1.618 18167 4370 1 5 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.370 0.120 18167 4371 1 5 . 1 1 89 89 ASN C C 107 178.483 178.483 177.137 1.346 18167 4372 1 5 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.636 0.306 18167 4373 1 5 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.706 0.183 18167 4374 1 5 . 1 1 89 89 ASN H H 107 8.501 8.501 8.271 0.230 18167 4375 1 5 . 1 1 90 90 ASP N N 108 121.211 121.211 119.720 1.491 18167 4376 1 5 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.321 0.159 18167 4377 1 5 . 1 1 90 90 ASP C C 108 177.598 177.598 177.183 0.415 18167 4378 1 5 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.877 -0.510 18167 4379 1 5 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.090 0.152 18167 4380 1 5 . 1 1 90 90 ASP H H 108 8.824 8.824 8.626 0.198 18167 4381 1 5 . 1 1 91 91 ALA N N 109 121.181 121.181 120.176 1.005 18167 4382 1 5 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.267 0.125 18167 4383 1 5 . 1 1 91 91 ALA C C 109 177.936 177.936 178.509 -0.573 18167 4384 1 5 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.915 -1.223 18167 4385 1 5 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.258 -0.369 18167 4386 1 5 . 1 1 91 91 ALA H H 109 7.507 7.507 7.437 0.070 18167 4387 1 5 . 1 1 92 92 SER N N 110 113.785 113.785 113.111 0.674 18167 4388 1 5 . 1 1 92 92 SER HA H 110 4.537 4.537 4.621 -0.084 18167 4389 1 5 . 1 1 92 92 SER C C 110 174.252 174.252 175.082 -0.830 18167 4390 1 5 . 1 1 92 92 SER CA C 110 58.565 58.565 57.861 0.704 18167 4391 1 5 . 1 1 92 92 SER CB C 110 64.795 64.795 64.219 0.576 18167 4392 1 5 . 1 1 92 92 SER H H 110 7.611 7.611 7.737 -0.126 18167 4393 1 5 . 1 1 93 93 GLN N N 111 119.994 119.994 122.900 -2.906 18167 4394 1 5 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.140 0.283 18167 4395 1 5 . 1 1 93 93 GLN C C 111 176.441 176.441 177.571 -1.130 18167 4396 1 5 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.822 -3.030 18167 4397 1 5 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.586 0.257 18167 4398 1 5 . 1 1 93 93 GLN H H 111 8.414 8.414 8.387 0.027 18167 4399 1 5 . 1 1 94 94 GLY N N 112 107.948 107.948 106.905 1.043 18167 4400 1 5 . 1 1 94 94 GLY C C 112 174.406 174.406 175.246 -0.840 18167 4401 1 5 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.802 -0.860 18167 4402 1 5 . 1 1 94 94 GLY H H 112 8.467 8.467 8.562 -0.095 18167 4403 1 5 . 1 1 95 95 ASP N N 113 119.500 119.500 119.329 0.171 18167 4404 1 5 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.616 -0.060 18167 4405 1 5 . 1 1 95 95 ASP C C 113 175.438 175.438 175.802 -0.364 18167 4406 1 5 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.508 0.172 18167 4407 1 5 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.765 -1.571 18167 4408 1 5 . 1 1 95 95 ASP H H 113 8.423 8.423 7.875 0.548 18167 4409 1 5 . 1 1 96 96 ARG N N 114 118.992 118.992 121.674 -2.682 18167 4410 1 5 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.382 0.679 18167 4411 1 5 . 1 1 96 96 ARG C C 114 175.699 175.699 174.258 1.441 18167 4412 1 5 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.118 -1.075 18167 4413 1 5 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.300 1.340 18167 4414 1 5 . 1 1 96 96 ARG H H 114 7.507 7.507 7.754 -0.247 18167 4415 1 5 . 1 1 97 97 GLN N N 115 121.149 121.149 124.052 -2.903 18167 4416 1 5 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.676 -0.007 18167 4417 1 5 . 1 1 97 97 GLN C C 115 173.696 173.696 173.857 -0.161 18167 4418 1 5 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.249 0.308 18167 4419 1 5 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.647 -1.574 18167 4420 1 5 . 1 1 97 97 GLN H H 115 8.814 8.814 8.323 0.491 18167 4421 1 5 . 1 1 98 98 ALA N N 116 129.789 129.789 125.938 3.851 18167 4422 1 5 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.161 0.155 18167 4423 1 5 . 1 1 98 98 ALA C C 116 176.503 176.503 176.599 -0.096 18167 4424 1 5 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.435 0.379 18167 4425 1 5 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.770 0.272 18167 4426 1 5 . 1 1 98 98 ALA H H 116 9.836 9.836 8.554 1.282 18167 4427 1 5 . 1 1 99 99 GLU N N 117 122.780 122.780 122.198 0.582 18167 4428 1 5 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.619 -0.016 18167 4429 1 5 . 1 1 99 99 GLU C C 117 174.361 174.361 175.050 -0.689 18167 4430 1 5 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.908 -0.588 18167 4431 1 5 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.017 0.295 18167 4432 1 5 . 1 1 99 99 GLU H H 117 9.252 9.252 9.033 0.219 18167 4433 1 5 . 1 1 100 100 LEU N N 118 127.043 127.043 127.662 -0.619 18167 4434 1 5 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.486 -0.179 18167 4435 1 5 . 1 1 100 100 LEU C C 118 176.338 176.338 176.330 0.008 18167 4436 1 5 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.034 0.488 18167 4437 1 5 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.992 0.649 18167 4438 1 5 . 1 1 100 100 LEU H H 118 8.765 8.765 8.820 -0.055 18167 4439 1 5 . 1 1 101 101 ILE N N 119 128.101 128.101 128.032 0.069 18167 4440 1 5 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.758 0.338 18167 4441 1 5 . 1 1 101 101 ILE C C 119 175.634 175.634 176.512 -0.878 18167 4442 1 5 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.470 -1.067 18167 4443 1 5 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.495 0.563 18167 4444 1 5 . 1 1 101 101 ILE H H 119 9.244 9.244 8.608 0.636 18167 4445 1 5 . 1 1 102 102 ASN N N 120 114.715 114.715 114.616 0.099 18167 4446 1 5 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.836 0.119 18167 4447 1 5 . 1 1 102 102 ASN C C 120 172.326 172.326 172.906 -0.580 18167 4448 1 5 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.987 0.386 18167 4449 1 5 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.985 0.902 18167 4450 1 5 . 1 1 102 102 ASN H H 120 7.989 7.989 7.865 0.124 18167 4451 1 5 . 1 1 103 103 ALA N N 121 125.011 125.011 123.060 1.951 18167 4452 1 5 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.286 0.171 18167 4453 1 5 . 1 1 103 103 ALA C C 121 175.068 175.068 175.392 -0.324 18167 4454 1 5 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.390 -0.031 18167 4455 1 5 . 1 1 103 103 ALA CB C 121 22.409 22.409 20.831 1.579 18167 4456 1 5 . 1 1 103 103 ALA H H 121 8.182 8.182 8.435 -0.253 18167 4457 1 5 . 1 1 104 104 GLU N N 122 121.148 121.148 120.704 0.444 18167 4458 1 5 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.624 0.071 18167 4459 1 5 . 1 1 104 104 GLU C C 122 173.666 173.666 173.893 -0.227 18167 4460 1 5 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.814 0.279 18167 4461 1 5 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.656 -0.146 18167 4462 1 5 . 1 1 104 104 GLU H H 122 8.817 8.817 8.332 0.485 18167 4463 1 5 . 1 1 105 105 ALA N N 123 124.441 124.441 123.109 1.332 18167 4464 1 5 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.431 0.096 18167 4465 1 5 . 1 1 105 105 ALA C C 123 176.479 176.479 176.581 -0.102 18167 4466 1 5 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.728 0.403 18167 4467 1 5 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.781 1.070 18167 4468 1 5 . 1 1 105 105 ALA H H 123 8.860 8.860 8.365 0.495 18167 4469 1 5 . 1 1 106 106 ARG N N 124 120.892 120.892 120.369 0.523 18167 4470 1 5 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.682 0.141 18167 4471 1 5 . 1 1 106 106 ARG C C 124 172.820 172.820 174.525 -1.705 18167 4472 1 5 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.157 -0.385 18167 4473 1 5 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.286 -1.016 18167 4474 1 5 . 1 1 106 106 ARG H H 124 9.209 9.209 8.903 0.306 18167 4475 1 5 . 1 1 107 107 ASP N N 125 122.706 122.706 123.609 -0.903 18167 4476 1 5 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.281 -0.042 18167 4477 1 5 . 1 1 107 107 ASP C C 125 176.097 176.097 175.601 0.496 18167 4478 1 5 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.181 -0.237 18167 4479 1 5 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.790 1.348 18167 4480 1 5 . 1 1 107 107 ASP H H 125 8.633 8.633 8.670 -0.037 18167 4481 1 5 . 1 1 108 108 GLU N N 126 126.120 126.120 125.637 0.483 18167 4482 1 5 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.749 -0.044 18167 4483 1 5 . 1 1 108 108 GLU C C 126 175.768 175.768 176.467 -0.699 18167 4484 1 5 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.152 -0.135 18167 4485 1 5 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.985 -3.561 18167 4486 1 5 . 1 1 108 108 GLU H H 126 9.152 9.152 9.157 -0.005 18167 4487 1 5 . 1 1 109 109 ASP N N 127 126.277 126.277 122.478 3.799 18167 4488 1 5 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.332 0.022 18167 4489 1 5 . 1 1 109 109 ASP C C 127 175.414 175.414 176.522 -1.108 18167 4490 1 5 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.905 0.485 18167 4491 1 5 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.220 1.022 18167 4492 1 5 . 1 1 109 109 ASP H H 127 9.067 9.067 9.098 -0.031 18167 4493 1 5 . 1 1 110 110 GLY N N 128 106.859 106.859 103.940 2.919 18167 4494 1 5 . 1 1 110 110 GLY C C 128 173.761 173.761 173.817 -0.056 18167 4495 1 5 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.243 -0.001 18167 4496 1 5 . 1 1 110 110 GLY H H 128 9.008 9.008 8.797 0.211 18167 4497 1 5 . 1 1 111 111 GLN N N 129 123.033 123.033 120.226 2.807 18167 4498 1 5 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.461 -0.078 18167 4499 1 5 . 1 1 111 111 GLN C C 129 173.901 173.901 174.233 -0.332 18167 4500 1 5 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.245 -0.309 18167 4501 1 5 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.632 -1.449 18167 4502 1 5 . 1 1 111 111 GLN H H 129 7.825 7.825 8.268 -0.443 18167 4503 1 5 . 1 1 112 112 VAL N N 130 128.263 128.263 126.975 1.288 18167 4504 1 5 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.835 0.037 18167 4505 1 5 . 1 1 112 112 VAL C C 130 175.591 175.591 174.999 0.592 18167 4506 1 5 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.141 0.962 18167 4507 1 5 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.087 -0.714 18167 4508 1 5 . 1 1 112 112 VAL H H 130 8.330 8.330 8.360 -0.030 18167 4509 1 5 . 1 1 113 113 TYR N N 131 126.702 126.702 125.172 1.530 18167 4510 1 5 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.916 0.134 18167 4511 1 5 . 1 1 113 113 TYR C C 131 175.477 175.477 174.989 0.488 18167 4512 1 5 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.210 0.213 18167 4513 1 5 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.837 0.651 18167 4514 1 5 . 1 1 113 113 TYR H H 131 9.136 9.136 9.227 -0.091 18167 4515 1 5 . 1 1 114 114 TYR N N 132 121.626 121.626 123.830 -2.204 18167 4516 1 5 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.080 0.750 18167 4517 1 5 . 1 1 114 114 TYR C C 132 175.368 175.368 175.629 -0.261 18167 4518 1 5 . 1 1 114 114 TYR CA C 132 54.068 54.068 56.028 -1.960 18167 4519 1 5 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.060 -0.743 18167 4520 1 5 . 1 1 114 114 TYR H H 132 9.577 9.577 9.549 0.028 18167 4521 1 5 . 1 1 115 115 THR N N 133 120.018 120.018 121.801 -1.783 18167 4522 1 5 . 1 1 115 115 THR HA H 133 5.486 5.486 4.578 0.908 18167 4523 1 5 . 1 1 115 115 THR C C 133 174.327 174.327 172.957 1.370 18167 4524 1 5 . 1 1 115 115 THR CA C 133 61.648 61.648 62.411 -0.763 18167 4525 1 5 . 1 1 115 115 THR CB C 133 69.622 69.622 69.614 0.008 18167 4526 1 5 . 1 1 115 115 THR H H 133 9.351 9.351 9.336 0.015 18167 4527 1 5 . 1 1 116 116 LEU N N 134 127.249 127.249 128.694 -1.445 18167 4528 1 5 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.774 0.521 18167 4529 1 5 . 1 1 116 116 LEU C C 134 174.347 174.347 174.408 -0.061 18167 4530 1 5 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.342 -1.714 18167 4531 1 5 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.081 -0.546 18167 4532 1 5 . 1 1 116 116 LEU H H 134 10.010 10.010 9.456 0.554 18167 4533 1 5 . 1 1 117 117 GLU N N 135 124.969 124.969 125.720 -0.751 18167 4534 1 5 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.744 0.834 18167 4535 1 5 . 1 1 117 117 GLU C C 135 175.635 175.635 174.815 0.820 18167 4536 1 5 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.817 -0.678 18167 4537 1 5 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.645 -0.482 18167 4538 1 5 . 1 1 117 117 GLU H H 135 9.109 9.109 8.924 0.185 18167 4539 1 5 . 1 1 118 118 TYR N N 136 125.868 125.868 122.854 3.014 18167 4540 1 5 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.499 -0.224 18167 4541 1 5 . 1 1 118 118 TYR C C 136 170.317 170.317 172.540 -2.223 18167 4542 1 5 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.045 -0.034 18167 4543 1 5 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.120 0.396 18167 4544 1 5 . 1 1 118 118 TYR H H 136 8.973 8.973 8.615 0.358 18167 4545 1 5 . 1 1 119 119 ARG N N 137 115.256 115.256 117.944 -2.688 18167 4546 1 5 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.560 0.517 18167 4547 1 5 . 1 1 119 119 ARG C C 137 173.643 173.643 174.408 -0.765 18167 4548 1 5 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.214 -1.091 18167 4549 1 5 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.396 -1.211 18167 4550 1 5 . 1 1 119 119 ARG H H 137 8.920 8.920 9.127 -0.207 18167 4551 1 5 . 1 1 120 120 VAL N N 138 119.767 119.767 117.444 2.323 18167 4552 1 5 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.152 -0.366 18167 4553 1 5 . 1 1 120 120 VAL C C 138 174.355 174.355 174.724 -0.369 18167 4554 1 5 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.250 1.533 18167 4555 1 5 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.495 0.667 18167 4556 1 5 . 1 1 120 120 VAL H H 138 8.430 8.430 8.395 0.035 18167 4557 1 5 . 1 1 121 121 LEU N N 139 129.915 129.915 122.952 6.963 18167 4558 1 5 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.155 -0.070 18167 4559 1 5 . 1 1 121 121 LEU C C 139 176.376 176.376 174.857 1.519 18167 4560 1 5 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.224 0.435 18167 4561 1 5 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.469 -1.347 18167 4562 1 5 . 1 1 121 121 LEU H H 139 9.333 9.333 8.869 0.464 18167 4563 1 5 . 1 1 122 122 VAL N N 140 120.956 120.956 116.578 4.378 18167 4564 1 5 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.703 -0.328 18167 4565 1 5 . 1 1 122 122 VAL C C 140 177.264 177.264 177.001 0.263 18167 4566 1 5 . 1 1 122 122 VAL CA C 140 61.468 61.468 59.470 1.998 18167 4567 1 5 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.050 -0.176 18167 4568 1 5 . 1 1 122 122 VAL H H 140 8.655 8.655 8.176 0.479 18167 4569 1 5 . 1 1 123 123 GLY N N 141 119.059 119.059 116.927 2.132 18167 4570 1 5 . 1 1 123 123 GLY C C 141 174.482 174.482 173.787 0.695 18167 4571 1 5 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.754 0.414 18167 4572 1 5 . 1 1 123 123 GLY H H 141 8.940 8.940 8.514 0.426 18167 4573 1 5 . 1 1 124 124 ASP N N 142 124.652 124.652 124.912 -0.260 18167 4574 1 5 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.750 -0.116 18167 4575 1 5 . 1 1 124 124 ASP C C 142 175.588 175.588 175.046 0.542 18167 4576 1 5 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.213 1.177 18167 4577 1 5 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.301 -0.037 18167 4578 1 5 . 1 1 124 124 ASP H H 142 8.722 8.722 8.486 0.236 18167 4579 1 5 . 1 1 125 125 ASN N N 143 118.203 118.203 118.189 0.014 18167 4580 1 5 . 1 1 125 125 ASN HA H 143 4.927 4.927 5.032 -0.105 18167 4581 1 5 . 1 1 125 125 ASN C C 143 174.095 174.095 173.579 0.516 18167 4582 1 5 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.052 0.354 18167 4583 1 5 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.574 -0.511 18167 4584 1 5 . 1 1 125 125 ASN H H 143 8.023 8.023 8.206 -0.183 18167 4585 1 5 . 1 1 126 126 VAL N N 144 123.424 123.424 120.910 2.514 18167 4586 1 5 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.018 0.062 18167 4587 1 5 . 1 1 126 126 VAL C C 144 175.767 175.767 175.329 0.438 18167 4588 1 5 . 1 1 126 126 VAL CA C 144 63.309 63.309 61.982 1.327 18167 4589 1 5 . 1 1 126 126 VAL H H 144 8.857 8.857 8.489 0.368 18167 4590 1 5 . 1 1 127 127 GLU N N 145 130.709 130.709 129.076 1.633 18167 4591 1 5 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.265 0.140 18167 4592 1 5 . 1 1 127 127 GLU C C 145 176.522 176.522 176.036 0.486 18167 4593 1 5 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.324 -0.360 18167 4594 1 5 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.153 1.202 18167 4595 1 5 . 1 1 127 127 GLU H H 145 9.487 9.487 8.826 0.661 18167 4596 1 5 . 1 1 128 128 ARG N N 146 113.222 113.222 112.009 1.213 18167 4597 1 5 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.511 0.550 18167 4598 1 5 . 1 1 128 128 ARG C C 146 172.055 172.055 173.936 -1.881 18167 4599 1 5 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.363 -0.982 18167 4600 1 5 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.548 1.443 18167 4601 1 5 . 1 1 128 128 ARG H H 146 7.657 7.657 7.584 0.073 18167 4602 1 5 . 1 1 129 129 HIS N N 147 125.158 125.158 117.501 7.657 18167 4603 1 5 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.375 0.257 18167 4604 1 5 . 1 1 129 129 HIS C C 147 172.407 172.407 172.970 -0.563 18167 4605 1 5 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.045 -0.849 18167 4606 1 5 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.689 0.247 18167 4607 1 5 . 1 1 129 129 HIS H H 147 9.295 9.295 8.289 1.006 18167 4608 1 5 . 1 1 130 130 ASP N N 148 122.383 122.383 121.191 1.192 18167 4609 1 5 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.071 1.056 18167 4610 1 5 . 1 1 130 130 ASP C C 148 174.350 174.350 173.631 0.719 18167 4611 1 5 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.661 -0.714 18167 4612 1 5 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.076 -1.108 18167 4613 1 5 . 1 1 130 130 ASP H H 148 8.879 8.879 8.234 0.645 18167 4614 1 5 . 1 1 131 131 LEU N N 149 121.444 121.444 124.171 -2.727 18167 4615 1 5 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.913 0.376 18167 4616 1 5 . 1 1 131 131 LEU C C 149 174.289 174.289 174.184 0.105 18167 4617 1 5 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.225 0.633 18167 4618 1 5 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.023 1.845 18167 4619 1 5 . 1 1 131 131 LEU H H 149 8.916 8.916 8.253 0.663 18167 4620 1 5 . 1 1 132 132 ALA N N 150 128.498 128.498 128.668 -0.170 18167 4621 1 5 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.620 0.410 18167 4622 1 5 . 1 1 132 132 ALA C C 150 176.044 176.044 175.641 0.403 18167 4623 1 5 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.331 -0.930 18167 4624 1 5 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.744 -0.921 18167 4625 1 5 . 1 1 132 132 ALA H H 150 9.920 9.920 9.338 0.582 18167 4626 1 5 . 1 1 133 133 SER N N 151 116.937 116.937 118.030 -1.093 18167 4627 1 5 . 1 1 133 133 SER HA H 151 5.812 5.812 5.520 0.292 18167 4628 1 5 . 1 1 133 133 SER C C 151 173.367 173.367 173.530 -0.163 18167 4629 1 5 . 1 1 133 133 SER CA C 151 56.394 56.394 57.266 -0.872 18167 4630 1 5 . 1 1 133 133 SER CB C 151 65.448 65.448 66.072 -0.624 18167 4631 1 5 . 1 1 133 133 SER H H 151 9.360 9.360 8.825 0.535 18167 4632 1 5 . 1 1 134 134 VAL N N 152 126.011 126.011 125.154 0.857 18167 4633 1 5 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.706 0.703 18167 4634 1 5 . 1 1 134 134 VAL C C 152 175.735 175.735 174.800 0.935 18167 4635 1 5 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.349 -1.185 18167 4636 1 5 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.343 1.577 18167 4637 1 5 . 1 1 134 134 VAL H H 152 9.558 9.558 9.222 0.336 18167 4638 1 5 . 1 1 135 135 THR N N 153 118.998 118.998 123.211 -4.213 18167 4639 1 5 . 1 1 135 135 THR HA H 153 4.723 4.723 4.877 -0.154 18167 4640 1 5 . 1 1 135 135 THR C C 153 171.746 171.746 173.288 -1.542 18167 4641 1 5 . 1 1 135 135 THR CA C 153 61.221 61.221 61.298 -0.077 18167 4642 1 5 . 1 1 135 135 THR CB C 153 69.300 69.300 72.486 -3.186 18167 4643 1 5 . 1 1 135 135 THR H H 153 8.960 8.960 9.049 -0.089 18167 4644 1 5 . 1 1 136 136 THR N N 154 109.883 109.883 117.175 -7.292 18167 4645 1 5 . 1 1 136 136 THR HA H 154 5.636 5.636 5.361 0.275 18167 4646 1 5 . 1 1 136 136 THR C C 154 173.904 173.904 174.074 -0.170 18167 4647 1 5 . 1 1 136 136 THR CA C 154 58.391 58.391 59.702 -1.311 18167 4648 1 5 . 1 1 136 136 THR CB C 154 71.387 71.387 70.184 1.203 18167 4649 1 5 . 1 1 136 136 THR H H 154 7.940 7.940 8.597 -0.657 18167 4650 1 5 . 1 1 137 137 ASN N N 155 115.138 115.138 121.167 -6.029 18167 4651 1 5 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.812 0.094 18167 4652 1 5 . 1 1 137 137 ASN C C 155 174.994 174.994 175.059 -0.065 18167 4653 1 5 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.009 1.336 18167 4654 1 5 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.061 1.746 18167 4655 1 5 . 1 1 137 137 ASN H H 155 8.938 8.938 8.391 0.547 18167 4656 1 5 . 1 1 138 138 ARG N N 156 125.040 125.040 125.361 -0.321 18167 4657 1 5 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.992 -0.035 18167 4658 1 5 . 1 1 138 138 ARG C C 156 175.870 175.870 176.163 -0.293 18167 4659 1 5 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.134 -0.010 18167 4660 1 5 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.358 -0.699 18167 4661 1 5 . 1 1 138 138 ARG H H 156 9.364 9.364 8.954 0.410 18167 4662 1 5 . 1 1 139 139 GLY N N 157 104.408 104.408 102.036 2.372 18167 4663 1 5 . 1 1 139 139 GLY C C 157 173.563 173.563 173.911 -0.348 18167 4664 1 5 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.867 0.954 18167 4665 1 5 . 1 1 139 139 GLY H H 157 8.862 8.862 8.460 0.402 18167 4666 1 5 . 1 1 140 140 LYS N N 158 117.999 117.999 121.243 -3.244 18167 4667 1 5 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.520 0.440 18167 4668 1 5 . 1 1 140 140 LYS C C 158 174.527 174.527 175.107 -0.580 18167 4669 1 5 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.256 -1.534 18167 4670 1 5 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.746 1.118 18167 4671 1 5 . 1 1 140 140 LYS H H 158 7.718 7.718 7.825 -0.107 18167 4672 1 5 . 1 1 141 141 LEU N N 159 124.332 124.332 127.593 -3.261 18167 4673 1 5 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.459 0.171 18167 4674 1 5 . 1 1 141 141 LEU C C 159 175.337 175.337 174.937 0.400 18167 4675 1 5 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.314 -0.076 18167 4676 1 5 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.202 0.670 18167 4677 1 5 . 1 1 141 141 LEU H H 159 9.006 9.006 9.150 -0.144 18167 4678 1 5 . 1 1 142 142 ILE N N 160 128.619 128.619 127.748 0.871 18167 4679 1 5 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.555 0.174 18167 4680 1 5 . 1 1 142 142 ILE C C 160 173.414 173.414 174.690 -1.276 18167 4681 1 5 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.402 0.831 18167 4682 1 5 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.980 -0.796 18167 4683 1 5 . 1 1 142 142 ILE H H 160 9.129 9.129 9.010 0.119 18167 4684 1 5 . 1 1 143 143 THR N N 161 122.266 122.266 122.951 -0.685 18167 4685 1 5 . 1 1 143 143 THR HA H 161 4.797 4.797 5.285 -0.488 18167 4686 1 5 . 1 1 143 143 THR C C 161 171.903 171.903 173.300 -1.397 18167 4687 1 5 . 1 1 143 143 THR CA C 161 61.666 61.666 61.231 0.435 18167 4688 1 5 . 1 1 143 143 THR CB C 161 70.025 70.025 71.015 -0.990 18167 4689 1 5 . 1 1 143 143 THR H H 161 8.818 8.818 8.619 0.199 18167 4690 1 5 . 1 1 144 144 PHE N N 162 130.742 130.742 127.437 3.305 18167 4691 1 5 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.678 0.112 18167 4692 1 5 . 1 1 144 144 PHE C C 162 173.404 173.404 173.374 0.030 18167 4693 1 5 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.740 -1.520 18167 4694 1 5 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.313 -1.573 18167 4695 1 5 . 1 1 144 144 PHE H H 162 9.219 9.219 9.132 0.087 18167 4696 1 5 . 1 1 145 145 ASP N N 163 127.154 127.154 127.158 -0.004 18167 4697 1 5 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.542 -0.586 18167 4698 1 5 . 1 1 145 145 ASP C C 163 174.933 174.933 175.054 -0.121 18167 4699 1 5 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.014 0.396 18167 4700 1 5 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.925 -0.601 18167 4701 1 5 . 1 1 145 145 ASP H H 163 8.862 8.862 8.148 0.714 18167 4702 1 5 . 1 1 146 146 LEU N N 164 131.658 131.658 123.953 7.705 18167 4703 1 5 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.807 -0.212 18167 4704 1 5 . 1 1 146 146 LEU C C 164 174.511 174.511 175.484 -0.973 18167 4705 1 5 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.228 -0.257 18167 4706 1 5 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.879 -2.782 18167 4707 1 5 . 1 1 146 146 LEU H H 164 8.938 8.938 9.066 -0.128 18167 4708 1 5 . 1 1 147 147 SER N N 165 114.966 114.966 115.900 -0.934 18167 4709 1 5 . 1 1 147 147 SER HA H 165 5.186 5.186 5.236 -0.050 18167 4710 1 5 . 1 1 147 147 SER C C 165 173.417 173.417 173.718 -0.301 18167 4711 1 5 . 1 1 147 147 SER CA C 165 56.600 56.600 57.310 -0.710 18167 4712 1 5 . 1 1 147 147 SER CB C 165 67.205 67.205 65.964 1.241 18167 4713 1 5 . 1 1 147 147 SER H H 165 8.995 8.995 9.030 -0.035 18167 4714 1 5 . 1 1 148 148 THR N N 166 118.620 118.620 120.179 -1.559 18167 4715 1 5 . 1 1 148 148 THR HA H 166 5.144 5.144 4.768 0.376 18167 4716 1 5 . 1 1 148 148 THR C C 166 173.151 173.151 172.863 0.288 18167 4717 1 5 . 1 1 148 148 THR CA C 166 60.362 60.362 61.525 -1.163 18167 4718 1 5 . 1 1 148 148 THR CB C 166 69.214 69.214 72.966 -3.752 18167 4719 1 5 . 1 1 148 148 THR H H 166 8.614 8.614 7.962 0.652 18167 4720 1 5 . 1 1 149 149 ALA N N 167 124.595 124.595 124.628 -0.033 18167 4721 1 5 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.230 0.375 18167 4722 1 5 . 1 1 149 149 ALA C C 167 179.460 179.460 178.025 1.435 18167 4723 1 5 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.726 -1.170 18167 4724 1 5 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.624 0.634 18167 4725 1 5 . 1 1 149 149 ALA H H 167 8.107 8.107 8.662 -0.555 18167 4726 1 5 . 1 1 150 150 GLU N N 168 123.906 123.906 123.575 0.331 18167 4727 1 5 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.743 0.755 18167 4728 1 5 . 1 1 150 150 GLU C C 168 178.587 178.587 177.641 0.946 18167 4729 1 5 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.793 -0.847 18167 4730 1 5 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.406 -0.699 18167 4731 1 5 . 1 1 150 150 GLU H H 168 8.471 8.471 8.950 -0.479 18167 4732 1 5 . 1 1 151 151 ASP N N 169 114.005 114.005 118.831 -4.826 18167 4733 1 5 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.432 0.051 18167 4734 1 5 . 1 1 151 151 ASP C C 169 177.260 177.260 178.282 -1.022 18167 4735 1 5 . 1 1 151 151 ASP CA C 169 55.918 55.918 57.075 -1.157 18167 4736 1 5 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.316 -0.231 18167 4737 1 5 . 1 1 151 151 ASP H H 169 8.575 8.575 8.763 -0.188 18167 4738 1 5 . 1 1 152 152 ARG N N 170 118.283 118.283 119.287 -1.004 18167 4739 1 5 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.396 -0.065 18167 4740 1 5 . 1 1 152 152 ARG C C 170 177.094 177.094 178.026 -0.932 18167 4741 1 5 . 1 1 152 152 ARG CA C 170 55.836 55.836 57.152 -1.316 18167 4742 1 5 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.636 1.348 18167 4743 1 5 . 1 1 152 152 ARG H H 170 7.663 7.663 8.002 -0.339 18167 4744 1 5 . 1 1 153 153 TRP N N 171 122.336 122.336 123.302 -0.966 18167 4745 1 5 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.555 -0.645 18167 4746 1 5 . 1 1 153 153 TRP C C 171 175.820 175.820 176.761 -0.941 18167 4747 1 5 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.543 -0.667 18167 4748 1 5 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.384 0.024 18167 4749 1 5 . 1 1 153 153 TRP H H 171 7.689 7.689 8.394 -0.705 18167 4750 1 5 . 1 1 154 154 ASP N N 172 114.179 114.179 116.649 -2.470 18167 4751 1 5 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.541 -0.524 18167 4752 1 5 . 1 1 154 154 ASP C C 172 178.442 178.442 179.263 -0.821 18167 4753 1 5 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.329 0.174 18167 4754 1 5 . 1 1 154 154 ASP CB C 172 40.164 40.164 41.013 -0.849 18167 4755 1 5 . 1 1 154 154 ASP H H 172 8.690 8.690 8.135 0.555 18167 4756 1 5 . 1 1 155 155 THR N N 173 114.661 114.661 116.642 -1.981 18167 4757 1 5 . 1 1 155 155 THR HA H 173 3.990 3.990 4.134 -0.144 18167 4758 1 5 . 1 1 155 155 THR C C 173 175.985 175.985 175.878 0.107 18167 4759 1 5 . 1 1 155 155 THR CA C 173 65.585 65.585 65.674 -0.090 18167 4760 1 5 . 1 1 155 155 THR CB C 173 69.076 69.076 69.148 -0.072 18167 4761 1 5 . 1 1 155 155 THR H H 173 7.635 7.635 7.677 -0.042 18167 4762 1 5 . 1 1 156 156 VAL N N 174 113.687 113.687 113.333 0.354 18167 4763 1 5 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.344 -0.067 18167 4764 1 5 . 1 1 156 156 VAL C C 174 176.185 176.185 174.823 1.362 18167 4765 1 5 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.776 1.667 18167 4766 1 5 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.057 3.096 18167 4767 1 5 . 1 1 156 156 VAL H H 174 7.447 7.447 7.959 -0.512 18167 4768 1 5 . 1 1 157 157 LYS N N 175 123.084 123.084 120.520 2.564 18167 4769 1 5 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.676 -0.832 18167 4770 1 5 . 1 1 157 157 LYS C C 175 177.321 177.321 177.899 -0.578 18167 4771 1 5 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.735 0.484 18167 4772 1 5 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.559 -1.364 18167 4773 1 5 . 1 1 157 157 LYS H H 175 7.548 7.548 7.193 0.355 18167 4774 1 5 . 1 1 158 158 SER N N 176 114.046 114.046 114.838 -0.792 18167 4775 1 5 . 1 1 158 158 SER HA H 176 3.820 3.820 4.194 -0.374 18167 4776 1 5 . 1 1 158 158 SER C C 176 176.927 176.927 176.096 0.831 18167 4777 1 5 . 1 1 158 158 SER CA C 176 61.600 61.600 60.189 1.411 18167 4778 1 5 . 1 1 158 158 SER CB C 176 62.048 62.048 62.293 -0.245 18167 4779 1 5 . 1 1 158 158 SER H H 176 8.161 8.161 7.973 0.188 18167 4780 1 5 . 1 1 159 159 LEU N N 177 126.125 126.125 123.680 2.445 18167 4781 1 5 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.838 0.335 18167 4782 1 5 . 1 1 159 159 LEU C C 177 178.403 178.403 177.617 0.786 18167 4783 1 5 . 1 1 159 159 LEU CA C 177 57.702 57.702 58.110 -0.408 18167 4784 1 5 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.258 -0.182 18167 4785 1 5 . 1 1 159 159 LEU H H 177 7.587 7.587 7.245 0.342 18167 4786 1 5 . 1 1 160 160 PHE N N 178 119.582 119.582 117.241 2.341 18167 4787 1 5 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.036 0.246 18167 4788 1 5 . 1 1 160 160 PHE C C 178 177.277 177.277 177.925 -0.648 18167 4789 1 5 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.562 -2.852 18167 4790 1 5 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.501 -1.961 18167 4791 1 5 . 1 1 160 160 PHE H H 178 9.067 9.067 6.701 2.366 18167 4792 1 5 . 1 1 161 161 ASP N N 179 120.599 120.599 119.723 0.876 18167 4793 1 5 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.457 -0.117 18167 4794 1 5 . 1 1 161 161 ASP C C 179 179.216 179.216 178.709 0.507 18167 4795 1 5 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.323 0.579 18167 4796 1 5 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.446 0.511 18167 4797 1 5 . 1 1 161 161 ASP H H 179 8.578 8.578 7.752 0.826 18167 4798 1 5 . 1 1 162 162 THR N N 180 118.300 118.300 116.917 1.383 18167 4799 1 5 . 1 1 162 162 THR HA H 180 3.849 3.849 4.088 -0.239 18167 4800 1 5 . 1 1 162 162 THR C C 180 176.875 176.875 177.105 -0.230 18167 4801 1 5 . 1 1 162 162 THR CA C 180 66.977 66.977 66.672 0.305 18167 4802 1 5 . 1 1 162 162 THR CB C 180 68.886 68.886 68.845 0.041 18167 4803 1 5 . 1 1 162 162 THR H H 180 7.771 7.771 8.471 -0.700 18167 4804 1 5 . 1 1 163 163 VAL N N 181 123.234 123.234 121.560 1.674 18167 4805 1 5 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.869 -0.275 18167 4806 1 5 . 1 1 163 163 VAL C C 181 180.016 180.016 178.090 1.926 18167 4807 1 5 . 1 1 163 163 VAL CA C 181 66.756 66.756 65.962 0.794 18167 4808 1 5 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.197 0.515 18167 4809 1 5 . 1 1 163 163 VAL H H 181 8.831 8.831 8.545 0.286 18167 4810 1 5 . 1 1 164 164 ALA N N 182 124.654 124.654 121.505 3.149 18167 4811 1 5 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.284 -0.022 18167 4812 1 5 . 1 1 164 164 ALA C C 182 180.510 180.510 179.299 1.211 18167 4813 1 5 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.111 1.348 18167 4814 1 5 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.362 -0.799 18167 4815 1 5 . 1 1 164 164 ALA H H 182 9.662 9.662 8.613 1.049 18167 4816 1 5 . 1 1 165 165 SER N N 183 112.325 112.325 111.514 0.811 18167 4817 1 5 . 1 1 165 165 SER HA H 183 4.173 4.173 4.485 -0.312 18167 4818 1 5 . 1 1 165 165 SER C C 183 173.817 173.817 175.931 -2.114 18167 4819 1 5 . 1 1 165 165 SER CA C 183 61.155 61.155 59.140 2.015 18167 4820 1 5 . 1 1 165 165 SER CB C 183 63.140 63.140 63.589 -0.449 18167 4821 1 5 . 1 1 165 165 SER H H 183 7.988 7.988 7.854 0.134 18167 4822 1 5 . 1 1 166 166 SER N N 184 117.332 117.332 116.288 1.044 18167 4823 1 5 . 1 1 166 166 SER HA H 184 4.356 4.356 4.388 -0.032 18167 4824 1 5 . 1 1 166 166 SER C C 184 174.163 174.163 175.818 -1.655 18167 4825 1 5 . 1 1 166 166 SER CA C 184 59.502 59.502 60.316 -0.814 18167 4826 1 5 . 1 1 166 166 SER CB C 184 63.416 63.416 63.552 -0.136 18167 4827 1 5 . 1 1 166 166 SER H H 184 7.766 7.766 7.735 0.031 18167 4828 1 5 . 1 1 167 167 PHE N N 185 124.827 124.827 121.866 2.961 18167 4829 1 5 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.653 0.510 18167 4830 1 5 . 1 1 167 167 PHE C C 185 174.545 174.545 174.456 0.089 18167 4831 1 5 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.761 -0.259 18167 4832 1 5 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.022 -0.632 18167 4833 1 5 . 1 1 167 167 PHE H H 185 7.101 7.101 7.493 -0.392 18167 4834 1 5 . 1 1 168 168 HIS N N 186 127.050 127.050 121.797 5.253 18167 4835 1 5 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.456 0.697 18167 4836 1 5 . 1 1 168 168 HIS C C 186 172.836 172.836 173.160 -0.324 18167 4837 1 5 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.915 -0.759 18167 4838 1 5 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.140 -2.137 18167 4839 1 5 . 1 1 168 168 HIS H H 186 8.645 8.645 8.672 -0.027 18167 4840 1 5 . 1 1 169 169 VAL N N 187 114.268 114.268 117.087 -2.819 18167 4841 1 5 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.223 -0.063 18167 4842 1 5 . 1 1 169 169 VAL C C 187 174.449 174.449 174.238 0.211 18167 4843 1 5 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.151 -0.798 18167 4844 1 5 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.929 -1.520 18167 4845 1 5 . 1 1 169 169 VAL H H 187 7.466 7.466 7.426 0.040 18167 4846 1 6 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.366 0.106 18167 4847 1 6 . 1 1 2 2 PRO C C 20 177.006 177.006 176.299 0.707 18167 4848 1 6 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.266 -0.226 18167 4849 1 6 . 1 1 2 2 PRO CB C 20 32.064 32.064 31.823 0.241 18167 4850 1 6 . 1 1 3 3 LEU N N 21 122.423 122.423 120.161 2.262 18167 4851 1 6 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.301 0.040 18167 4852 1 6 . 1 1 3 3 LEU C C 21 177.928 177.928 177.606 0.322 18167 4853 1 6 . 1 1 3 3 LEU CA C 21 55.318 55.318 54.957 0.361 18167 4854 1 6 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.968 0.298 18167 4855 1 6 . 1 1 3 3 LEU H H 21 8.551 8.551 7.478 1.073 18167 4856 1 6 . 1 1 4 4 GLY N N 22 109.759 109.759 111.070 -1.311 18167 4857 1 6 . 1 1 4 4 GLY C C 22 174.309 174.309 173.187 1.122 18167 4858 1 6 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.313 0.917 18167 4859 1 6 . 1 1 4 4 GLY H H 22 8.423 8.423 8.119 0.304 18167 4860 1 6 . 1 1 5 5 SER N N 23 115.538 115.538 115.361 0.177 18167 4861 1 6 . 1 1 5 5 SER HA H 23 4.488 4.488 4.656 -0.168 18167 4862 1 6 . 1 1 5 5 SER C C 23 174.841 174.841 174.066 0.775 18167 4863 1 6 . 1 1 5 5 SER CA C 23 58.329 58.329 57.548 0.781 18167 4864 1 6 . 1 1 5 5 SER CB C 23 63.957 63.957 64.535 -0.578 18167 4865 1 6 . 1 1 5 5 SER H H 23 8.233 8.233 8.275 -0.042 18167 4866 1 6 . 1 1 6 6 CYS N N 24 120.699 120.699 125.601 -4.902 18167 4867 1 6 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.670 -0.128 18167 4868 1 6 . 1 1 6 6 CYS C C 24 175.079 175.079 176.222 -1.143 18167 4869 1 6 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.506 -0.789 18167 4870 1 6 . 1 1 6 6 CYS CB C 24 27.969 27.969 27.204 0.765 18167 4871 1 6 . 1 1 6 6 CYS H H 24 8.493 8.493 8.816 -0.323 18167 4872 1 6 . 1 1 7 7 GLY N N 25 110.895 110.895 114.650 -3.755 18167 4873 1 6 . 1 1 7 7 GLY C C 25 174.402 174.402 174.359 0.043 18167 4874 1 6 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.248 0.230 18167 4875 1 6 . 1 1 7 7 GLY H H 25 8.449 8.449 8.651 -0.202 18167 4876 1 6 . 1 1 8 8 GLY N N 26 108.733 108.733 108.331 0.402 18167 4877 1 6 . 1 1 8 8 GLY C C 26 174.113 174.113 175.453 -1.340 18167 4878 1 6 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.928 0.252 18167 4879 1 6 . 1 1 8 8 GLY H H 26 8.236 8.236 8.335 -0.099 18167 4880 1 6 . 1 1 9 9 VAL N N 27 118.903 118.903 120.910 -2.007 18167 4881 1 6 . 1 1 9 9 VAL HA H 27 4.124 4.124 3.821 0.303 18167 4882 1 6 . 1 1 9 9 VAL C C 27 176.630 176.630 175.733 0.897 18167 4883 1 6 . 1 1 9 9 VAL CA C 27 62.385 62.385 63.798 -1.413 18167 4884 1 6 . 1 1 9 9 VAL CB C 27 32.521 32.521 31.861 0.660 18167 4885 1 6 . 1 1 9 9 VAL H H 27 8.019 8.019 8.057 -0.038 18167 4886 1 6 . 1 1 10 10 GLY N N 28 112.317 112.317 106.474 5.843 18167 4887 1 6 . 1 1 10 10 GLY C C 28 174.378 174.378 174.703 -0.325 18167 4888 1 6 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.591 0.755 18167 4889 1 6 . 1 1 10 10 GLY H H 28 8.483 8.483 7.736 0.747 18167 4890 1 6 . 1 1 11 11 ILE N N 29 119.788 119.788 117.354 2.434 18167 4891 1 6 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.094 -0.013 18167 4892 1 6 . 1 1 11 11 ILE C C 29 176.168 176.168 175.442 0.726 18167 4893 1 6 . 1 1 11 11 ILE CA C 29 61.412 61.412 61.711 -0.299 18167 4894 1 6 . 1 1 11 11 ILE CB C 29 38.557 38.557 37.014 1.543 18167 4895 1 6 . 1 1 11 11 ILE H H 29 7.948 7.948 8.095 -0.147 18167 4896 1 6 . 1 1 12 12 ALA N N 30 126.009 126.009 123.082 2.927 18167 4897 1 6 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.511 -0.223 18167 4898 1 6 . 1 1 12 12 ALA C C 30 177.504 177.504 176.465 1.039 18167 4899 1 6 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.111 1.754 18167 4900 1 6 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.761 -1.795 18167 4901 1 6 . 1 1 12 12 ALA H H 30 8.247 8.247 7.551 0.696 18167 4902 1 6 . 1 1 13 13 SER N N 31 113.949 113.949 115.277 -1.328 18167 4903 1 6 . 1 1 13 13 SER HA H 31 4.392 4.392 4.281 0.111 18167 4904 1 6 . 1 1 13 13 SER C C 31 173.644 173.644 173.701 -0.057 18167 4905 1 6 . 1 1 13 13 SER CA C 31 58.329 58.329 58.630 -0.302 18167 4906 1 6 . 1 1 13 13 SER CB C 31 63.609 63.609 63.863 -0.254 18167 4907 1 6 . 1 1 13 13 SER H H 31 8.045 8.045 8.324 -0.279 18167 4908 1 6 . 1 1 14 14 LEU N N 32 122.240 122.240 121.128 1.112 18167 4909 1 6 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.180 0.365 18167 4910 1 6 . 1 1 14 14 LEU C C 32 176.001 176.001 176.279 -0.278 18167 4911 1 6 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.868 0.009 18167 4912 1 6 . 1 1 14 14 LEU CB C 32 44.245 44.245 42.937 1.308 18167 4913 1 6 . 1 1 14 14 LEU H H 32 7.749 7.749 8.148 -0.399 18167 4914 1 6 . 1 1 15 15 GLN N N 33 120.685 120.685 120.298 0.387 18167 4915 1 6 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.527 -0.145 18167 4916 1 6 . 1 1 15 15 GLN C C 33 172.944 172.944 174.068 -1.124 18167 4917 1 6 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.857 -0.396 18167 4918 1 6 . 1 1 15 15 GLN CB C 33 30.743 30.743 30.652 0.091 18167 4919 1 6 . 1 1 15 15 GLN H H 33 8.780 8.780 8.394 0.386 18167 4920 1 6 . 1 1 16 16 ARG N N 34 120.341 120.341 119.266 1.075 18167 4921 1 6 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.844 0.060 18167 4922 1 6 . 1 1 16 16 ARG C C 34 175.846 175.846 174.567 1.279 18167 4923 1 6 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.017 0.684 18167 4924 1 6 . 1 1 16 16 ARG CB C 34 32.742 32.742 33.025 -0.283 18167 4925 1 6 . 1 1 16 16 ARG H H 34 8.274 8.274 8.319 -0.045 18167 4926 1 6 . 1 1 17 17 TYR N N 35 128.733 128.733 124.683 4.050 18167 4927 1 6 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.809 -0.251 18167 4928 1 6 . 1 1 17 17 TYR C C 35 173.307 173.307 173.146 0.161 18167 4929 1 6 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.979 -0.246 18167 4930 1 6 . 1 1 17 17 TYR CB C 35 41.583 41.583 42.272 -0.689 18167 4931 1 6 . 1 1 17 17 TYR H H 35 9.104 9.104 8.433 0.671 18167 4932 1 6 . 1 1 18 18 SER N N 36 119.150 119.150 120.236 -1.086 18167 4933 1 6 . 1 1 18 18 SER HA H 36 4.786 4.786 4.992 -0.206 18167 4934 1 6 . 1 1 18 18 SER C C 36 172.002 172.002 172.399 -0.397 18167 4935 1 6 . 1 1 18 18 SER CA C 36 56.341 56.341 56.490 -0.149 18167 4936 1 6 . 1 1 18 18 SER CB C 36 65.327 65.327 66.585 -1.258 18167 4937 1 6 . 1 1 18 18 SER H H 36 7.398 7.398 7.719 -0.321 18167 4938 1 6 . 1 1 19 19 ASP N N 37 124.935 124.935 121.164 3.771 18167 4939 1 6 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.933 -0.262 18167 4940 1 6 . 1 1 19 19 ASP C C 37 176.089 176.089 176.741 -0.652 18167 4941 1 6 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.444 -0.635 18167 4942 1 6 . 1 1 19 19 ASP CB C 37 42.465 42.465 44.202 -1.737 18167 4943 1 6 . 1 1 19 19 ASP H H 37 8.607 8.607 8.318 0.289 18167 4944 1 6 . 1 1 20 20 THR N N 38 117.032 117.032 116.862 0.170 18167 4945 1 6 . 1 1 20 20 THR HA H 38 4.316 4.316 3.980 0.336 18167 4946 1 6 . 1 1 20 20 THR C C 38 175.794 175.794 175.723 0.071 18167 4947 1 6 . 1 1 20 20 THR CA C 38 63.123 63.123 63.833 -0.710 18167 4948 1 6 . 1 1 20 20 THR CB C 38 68.905 68.905 69.090 -0.185 18167 4949 1 6 . 1 1 20 20 THR H H 38 8.470 8.470 8.480 -0.010 18167 4950 1 6 . 1 1 21 21 LYS N N 39 124.893 124.893 121.106 3.787 18167 4951 1 6 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.035 0.154 18167 4952 1 6 . 1 1 21 21 LYS C C 39 177.678 177.678 177.445 0.233 18167 4953 1 6 . 1 1 21 21 LYS CA C 39 58.795 58.795 58.930 -0.135 18167 4954 1 6 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.261 -0.593 18167 4955 1 6 . 1 1 21 21 LYS H H 39 8.201 8.201 7.786 0.415 18167 4956 1 6 . 1 1 22 22 ASP N N 40 118.183 118.183 115.562 2.621 18167 4957 1 6 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.554 0.267 18167 4958 1 6 . 1 1 22 22 ASP C C 40 176.752 176.752 176.797 -0.045 18167 4959 1 6 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.079 0.800 18167 4960 1 6 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.673 1.196 18167 4961 1 6 . 1 1 22 22 ASP H H 40 8.480 8.480 8.280 0.200 18167 4962 1 6 . 1 1 23 23 GLY N N 41 108.978 108.978 107.718 1.260 18167 4963 1 6 . 1 1 23 23 GLY C C 41 172.396 172.396 173.316 -0.920 18167 4964 1 6 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.665 1.451 18167 4965 1 6 . 1 1 23 23 GLY H H 41 7.421 7.421 8.154 -0.733 18167 4966 1 6 . 1 1 24 24 TYR N N 42 112.046 112.046 116.095 -4.049 18167 4967 1 6 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.680 -0.286 18167 4968 1 6 . 1 1 24 24 TYR C C 42 173.028 173.028 172.932 0.096 18167 4969 1 6 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.392 1.440 18167 4970 1 6 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.699 0.155 18167 4971 1 6 . 1 1 24 24 TYR H H 42 7.506 7.506 7.806 -0.300 18167 4972 1 6 . 1 1 25 25 GLU N N 43 117.470 117.470 120.243 -2.773 18167 4973 1 6 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.097 0.371 18167 4974 1 6 . 1 1 25 25 GLU C C 43 173.311 173.311 174.432 -1.121 18167 4975 1 6 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.363 -1.132 18167 4976 1 6 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.612 0.013 18167 4977 1 6 . 1 1 25 25 GLU H H 43 8.934 8.934 8.652 0.282 18167 4978 1 6 . 1 1 26 26 PHE N N 44 112.795 112.795 117.684 -4.889 18167 4979 1 6 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.278 -0.436 18167 4980 1 6 . 1 1 26 26 PHE C C 44 172.776 172.776 172.950 -0.174 18167 4981 1 6 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.297 0.319 18167 4982 1 6 . 1 1 26 26 PHE CB C 44 40.449 40.449 42.200 -1.751 18167 4983 1 6 . 1 1 26 26 PHE H H 44 8.532 8.532 8.580 -0.048 18167 4984 1 6 . 1 1 27 27 LEU N N 45 119.784 119.784 123.848 -4.064 18167 4985 1 6 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.983 0.537 18167 4986 1 6 . 1 1 27 27 LEU C C 45 174.965 174.965 175.524 -0.559 18167 4987 1 6 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.090 -1.316 18167 4988 1 6 . 1 1 27 27 LEU CB C 45 44.650 44.650 44.068 0.583 18167 4989 1 6 . 1 1 27 27 LEU H H 45 9.241 9.241 8.639 0.602 18167 4990 1 6 . 1 1 28 28 TYR N N 46 113.008 113.008 121.820 -8.812 18167 4991 1 6 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.991 -0.078 18167 4992 1 6 . 1 1 28 28 TYR C C 46 171.354 171.354 172.272 -0.918 18167 4993 1 6 . 1 1 28 28 TYR CA C 46 54.757 54.757 53.977 0.780 18167 4994 1 6 . 1 1 28 28 TYR CB C 46 38.147 38.147 39.563 -1.416 18167 4995 1 6 . 1 1 28 28 TYR H H 46 8.951 8.951 8.592 0.359 18167 4996 1 6 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.136 -0.129 18167 4997 1 6 . 1 1 29 29 PRO C C 47 176.165 176.165 176.317 -0.152 18167 4998 1 6 . 1 1 29 29 PRO CA C 47 63.318 63.318 61.713 1.605 18167 4999 1 6 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.867 -1.527 18167 5000 1 6 . 1 1 30 30 ASN N N 48 119.923 119.923 118.350 1.573 18167 5001 1 6 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.456 -0.193 18167 5002 1 6 . 1 1 30 30 ASN C C 48 176.347 176.347 176.472 -0.125 18167 5003 1 6 . 1 1 30 30 ASN CA C 48 55.201 55.201 54.314 0.887 18167 5004 1 6 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.483 0.105 18167 5005 1 6 . 1 1 30 30 ASN H H 48 8.163 8.163 7.786 0.377 18167 5006 1 6 . 1 1 31 31 GLY N N 49 111.442 111.442 106.922 4.520 18167 5007 1 6 . 1 1 31 31 GLY C C 49 174.985 174.985 174.253 0.732 18167 5008 1 6 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.322 0.070 18167 5009 1 6 . 1 1 31 31 GLY H H 49 8.702 8.702 8.757 -0.055 18167 5010 1 6 . 1 1 32 32 TRP N N 50 122.100 122.100 121.001 1.099 18167 5011 1 6 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.421 -0.079 18167 5012 1 6 . 1 1 32 32 TRP C C 50 176.370 176.370 177.455 -1.085 18167 5013 1 6 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.252 1.041 18167 5014 1 6 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.254 -0.150 18167 5015 1 6 . 1 1 32 32 TRP H H 50 8.008 8.008 7.550 0.458 18167 5016 1 6 . 1 1 33 33 ILE N N 51 117.163 117.163 118.837 -1.674 18167 5017 1 6 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.753 0.203 18167 5018 1 6 . 1 1 33 33 ILE C C 51 175.549 175.549 174.769 0.780 18167 5019 1 6 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.570 -0.342 18167 5020 1 6 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.408 0.681 18167 5021 1 6 . 1 1 33 33 ILE H H 51 9.249 9.249 8.933 0.316 18167 5022 1 6 . 1 1 34 34 GLY N N 52 111.812 111.812 110.485 1.327 18167 5023 1 6 . 1 1 34 34 GLY C C 52 173.956 173.956 173.785 0.171 18167 5024 1 6 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.606 1.798 18167 5025 1 6 . 1 1 34 34 GLY H H 52 8.787 8.787 8.201 0.586 18167 5026 1 6 . 1 1 35 35 VAL N N 53 122.174 122.174 124.750 -2.576 18167 5027 1 6 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.152 -0.008 18167 5028 1 6 . 1 1 35 35 VAL C C 53 174.921 174.921 175.432 -0.511 18167 5029 1 6 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.223 -0.566 18167 5030 1 6 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.988 0.052 18167 5031 1 6 . 1 1 35 35 VAL H H 53 7.763 7.763 8.760 -0.997 18167 5032 1 6 . 1 1 36 36 ASP N N 54 125.424 125.424 126.556 -1.132 18167 5033 1 6 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.686 -0.097 18167 5034 1 6 . 1 1 36 36 ASP C C 54 176.890 176.890 176.049 0.841 18167 5035 1 6 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.773 -0.323 18167 5036 1 6 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.424 -0.251 18167 5037 1 6 . 1 1 36 36 ASP H H 54 8.425 8.425 8.629 -0.204 18167 5038 1 6 . 1 1 37 37 VAL N N 55 120.335 120.335 117.769 2.566 18167 5039 1 6 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.351 -0.183 18167 5040 1 6 . 1 1 37 37 VAL C C 55 176.785 176.785 175.018 1.767 18167 5041 1 6 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.324 0.595 18167 5042 1 6 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.601 -0.811 18167 5043 1 6 . 1 1 37 37 VAL H H 55 8.215 8.215 8.185 0.029 18167 5044 1 6 . 1 1 38 38 LYS N N 56 124.881 124.881 121.412 3.469 18167 5045 1 6 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.385 -0.183 18167 5046 1 6 . 1 1 38 38 LYS C C 56 177.828 177.828 177.402 0.426 18167 5047 1 6 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.124 0.879 18167 5048 1 6 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.277 -0.640 18167 5049 1 6 . 1 1 38 38 LYS H H 56 8.331 8.331 8.017 0.314 18167 5050 1 6 . 1 1 39 39 GLY N N 57 111.152 111.152 111.922 -0.770 18167 5051 1 6 . 1 1 39 39 GLY C C 57 174.253 174.253 174.050 0.203 18167 5052 1 6 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.577 0.783 18167 5053 1 6 . 1 1 39 39 GLY H H 57 8.651 8.651 8.937 -0.286 18167 5054 1 6 . 1 1 40 40 ALA N N 58 123.085 123.085 123.007 0.078 18167 5055 1 6 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.409 -0.026 18167 5056 1 6 . 1 1 40 40 ALA C C 58 177.125 177.125 176.607 0.518 18167 5057 1 6 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.193 1.161 18167 5058 1 6 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.957 -0.340 18167 5059 1 6 . 1 1 40 40 ALA H H 58 7.839 7.839 7.527 0.312 18167 5060 1 6 . 1 1 41 41 SER N N 59 115.088 115.088 116.690 -1.602 18167 5061 1 6 . 1 1 41 41 SER HA H 59 4.688 4.688 4.313 0.375 18167 5062 1 6 . 1 1 41 41 SER C C 59 171.885 171.885 172.957 -1.072 18167 5063 1 6 . 1 1 41 41 SER CA C 59 56.951 56.951 58.012 -1.061 18167 5064 1 6 . 1 1 41 41 SER CB C 59 63.123 63.123 62.489 0.635 18167 5065 1 6 . 1 1 41 41 SER H H 59 8.186 8.186 8.368 -0.182 18167 5066 1 6 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.185 0.164 18167 5067 1 6 . 1 1 42 42 PRO C C 60 177.660 177.660 177.739 -0.079 18167 5068 1 6 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.306 -0.081 18167 5069 1 6 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.831 -0.290 18167 5070 1 6 . 1 1 43 43 GLY N N 61 111.997 111.997 110.025 1.972 18167 5071 1 6 . 1 1 43 43 GLY C C 61 174.070 174.070 174.180 -0.110 18167 5072 1 6 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.865 0.749 18167 5073 1 6 . 1 1 43 43 GLY H H 61 8.730 8.730 8.455 0.275 18167 5074 1 6 . 1 1 44 44 VAL N N 62 120.539 120.539 122.247 -1.708 18167 5075 1 6 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.692 0.585 18167 5076 1 6 . 1 1 44 44 VAL C C 62 175.277 175.277 174.591 0.686 18167 5077 1 6 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.521 -1.594 18167 5078 1 6 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.777 -0.222 18167 5079 1 6 . 1 1 44 44 VAL H H 62 7.573 7.573 7.733 -0.160 18167 5080 1 6 . 1 1 45 45 ASP N N 63 128.619 128.619 127.313 1.306 18167 5081 1 6 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.726 0.181 18167 5082 1 6 . 1 1 45 45 ASP C C 63 176.177 176.177 175.437 0.740 18167 5083 1 6 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.112 0.743 18167 5084 1 6 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.073 1.202 18167 5085 1 6 . 1 1 45 45 ASP H H 63 9.084 9.084 8.641 0.443 18167 5086 1 6 . 1 1 46 46 VAL N N 64 115.687 115.687 116.644 -0.957 18167 5087 1 6 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.331 -0.021 18167 5088 1 6 . 1 1 46 46 VAL C C 64 172.853 172.853 173.852 -0.999 18167 5089 1 6 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.674 0.497 18167 5090 1 6 . 1 1 46 46 VAL CB C 64 35.908 35.908 36.106 -0.198 18167 5091 1 6 . 1 1 46 46 VAL H H 64 7.314 7.314 7.449 -0.135 18167 5092 1 6 . 1 1 47 47 VAL N N 65 124.933 124.933 122.324 2.609 18167 5093 1 6 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.511 0.545 18167 5094 1 6 . 1 1 47 47 VAL C C 65 175.266 175.266 174.416 0.850 18167 5095 1 6 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.214 -0.132 18167 5096 1 6 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.432 2.235 18167 5097 1 6 . 1 1 47 47 VAL H H 65 8.146 8.146 8.033 0.113 18167 5098 1 6 . 1 1 48 48 PHE N N 66 122.916 122.916 125.901 -2.985 18167 5099 1 6 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.543 -0.052 18167 5100 1 6 . 1 1 48 48 PHE C C 66 174.371 174.371 174.406 -0.035 18167 5101 1 6 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.022 0.507 18167 5102 1 6 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.483 1.676 18167 5103 1 6 . 1 1 48 48 PHE H H 66 8.469 8.469 8.794 -0.325 18167 5104 1 6 . 1 1 49 49 ARG N N 67 116.381 116.381 121.883 -5.502 18167 5105 1 6 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.587 -0.082 18167 5106 1 6 . 1 1 49 49 ARG C C 67 173.455 173.455 173.909 -0.454 18167 5107 1 6 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.733 -0.899 18167 5108 1 6 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.608 0.290 18167 5109 1 6 . 1 1 49 49 ARG H H 67 9.271 9.271 8.929 0.342 18167 5110 1 6 . 1 1 50 50 ASP N N 68 121.066 121.066 126.259 -5.193 18167 5111 1 6 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.726 -0.675 18167 5112 1 6 . 1 1 50 50 ASP C C 68 176.670 176.670 176.485 0.185 18167 5113 1 6 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.857 1.759 18167 5114 1 6 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.687 1.214 18167 5115 1 6 . 1 1 50 50 ASP H H 68 7.165 7.165 7.890 -0.725 18167 5116 1 6 . 1 1 51 51 LEU N N 69 124.078 124.078 125.161 -1.083 18167 5117 1 6 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.065 -0.040 18167 5118 1 6 . 1 1 51 51 LEU C C 69 177.463 177.463 178.703 -1.240 18167 5119 1 6 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.541 -0.133 18167 5120 1 6 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.137 1.012 18167 5121 1 6 . 1 1 51 51 LEU H H 69 8.314 8.314 8.127 0.187 18167 5122 1 6 . 1 1 52 52 ILE N N 70 118.341 118.341 116.695 1.646 18167 5123 1 6 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.915 0.158 18167 5124 1 6 . 1 1 52 52 ILE C C 70 177.093 177.093 177.062 0.031 18167 5125 1 6 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.203 -1.345 18167 5126 1 6 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.662 0.958 18167 5127 1 6 . 1 1 52 52 ILE H H 70 8.178 8.178 7.766 0.412 18167 5128 1 6 . 1 1 53 53 GLU N N 71 122.254 122.254 117.579 4.675 18167 5129 1 6 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.524 -0.140 18167 5130 1 6 . 1 1 53 53 GLU C C 71 176.084 176.084 176.457 -0.373 18167 5131 1 6 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.117 -0.309 18167 5132 1 6 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.009 -1.251 18167 5133 1 6 . 1 1 53 53 GLU H H 71 8.974 8.974 8.560 0.414 18167 5134 1 6 . 1 1 54 54 ARG N N 72 121.414 121.414 122.646 -1.232 18167 5135 1 6 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.124 -0.142 18167 5136 1 6 . 1 1 54 54 ARG C C 72 176.478 176.478 176.640 -0.162 18167 5137 1 6 . 1 1 54 54 ARG CA C 72 58.240 58.240 59.086 -0.846 18167 5138 1 6 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.381 -0.417 18167 5139 1 6 . 1 1 54 54 ARG H H 72 8.052 8.052 8.521 -0.469 18167 5140 1 6 . 1 1 55 55 ASP N N 73 117.425 117.425 117.029 0.396 18167 5141 1 6 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.497 -0.046 18167 5142 1 6 . 1 1 55 55 ASP C C 73 173.783 173.783 176.413 -2.630 18167 5143 1 6 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.989 -0.915 18167 5144 1 6 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.605 0.137 18167 5145 1 6 . 1 1 55 55 ASP H H 73 8.455 8.455 8.399 0.056 18167 5146 1 6 . 1 1 56 56 GLU N N 74 124.050 124.050 120.535 3.515 18167 5147 1 6 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.608 0.891 18167 5148 1 6 . 1 1 56 56 GLU C C 74 174.110 174.110 175.315 -1.205 18167 5149 1 6 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.544 -0.066 18167 5150 1 6 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.482 1.964 18167 5151 1 6 . 1 1 56 56 GLU H H 74 7.773 7.773 7.571 0.202 18167 5152 1 6 . 1 1 57 57 ASN N N 75 119.794 119.794 122.678 -2.884 18167 5153 1 6 . 1 1 57 57 ASN HA H 75 4.763 4.763 5.122 -0.359 18167 5154 1 6 . 1 1 57 57 ASN C C 75 171.893 171.893 173.241 -1.348 18167 5155 1 6 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.627 0.336 18167 5156 1 6 . 1 1 57 57 ASN CB C 75 42.369 42.369 43.426 -1.057 18167 5157 1 6 . 1 1 57 57 ASN H H 75 8.891 8.891 9.067 -0.176 18167 5158 1 6 . 1 1 58 58 LEU N N 76 116.438 116.438 115.181 1.257 18167 5159 1 6 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.294 0.047 18167 5160 1 6 . 1 1 58 58 LEU C C 76 174.630 174.630 174.456 0.174 18167 5161 1 6 . 1 1 58 58 LEU CA C 76 52.828 52.828 54.655 -1.827 18167 5162 1 6 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.701 0.178 18167 5163 1 6 . 1 1 58 58 LEU H H 76 9.166 9.166 8.249 0.917 18167 5164 1 6 . 1 1 59 59 SER N N 77 114.543 114.543 115.045 -0.502 18167 5165 1 6 . 1 1 59 59 SER HA H 77 5.432 5.432 5.073 0.359 18167 5166 1 6 . 1 1 59 59 SER C C 77 172.602 172.602 172.734 -0.132 18167 5167 1 6 . 1 1 59 59 SER CA C 77 56.593 56.593 57.228 -0.636 18167 5168 1 6 . 1 1 59 59 SER CB C 77 66.720 66.720 65.941 0.779 18167 5169 1 6 . 1 1 59 59 SER H H 77 8.352 8.352 8.936 -0.584 18167 5170 1 6 . 1 1 60 60 VAL N N 78 122.017 122.017 120.884 1.133 18167 5171 1 6 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.964 0.005 18167 5172 1 6 . 1 1 60 60 VAL C C 78 174.861 174.861 174.507 0.354 18167 5173 1 6 . 1 1 60 60 VAL CA C 78 61.184 61.184 59.724 1.460 18167 5174 1 6 . 1 1 60 60 VAL CB C 78 33.312 33.312 32.928 0.384 18167 5175 1 6 . 1 1 60 60 VAL H H 78 8.306 8.306 8.560 -0.254 18167 5176 1 6 . 1 1 61 61 ILE N N 79 128.458 128.458 125.657 2.801 18167 5177 1 6 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.725 -0.004 18167 5178 1 6 . 1 1 61 61 ILE C C 79 175.639 175.639 174.945 0.694 18167 5179 1 6 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.147 0.097 18167 5180 1 6 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.059 1.227 18167 5181 1 6 . 1 1 61 61 ILE H H 79 9.193 9.193 7.786 1.407 18167 5182 1 6 . 1 1 62 62 ILE N N 80 129.957 129.957 128.169 1.788 18167 5183 1 6 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.123 -0.081 18167 5184 1 6 . 1 1 62 62 ILE C C 80 175.727 175.727 175.156 0.571 18167 5185 1 6 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.751 0.407 18167 5186 1 6 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.099 -0.322 18167 5187 1 6 . 1 1 62 62 ILE H H 80 9.140 9.140 8.897 0.243 18167 5188 1 6 . 1 1 63 63 SER N N 81 122.084 122.084 122.181 -0.097 18167 5189 1 6 . 1 1 63 63 SER HA H 81 4.878 4.878 4.784 0.094 18167 5190 1 6 . 1 1 63 63 SER C C 81 172.933 172.933 172.503 0.430 18167 5191 1 6 . 1 1 63 63 SER CA C 81 56.689 56.689 56.428 0.261 18167 5192 1 6 . 1 1 63 63 SER CB C 81 65.862 65.862 66.583 -0.721 18167 5193 1 6 . 1 1 63 63 SER H H 81 9.079 9.079 8.780 0.299 18167 5194 1 6 . 1 1 64 64 GLU N N 82 121.983 121.983 122.330 -0.347 18167 5195 1 6 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.628 -0.036 18167 5196 1 6 . 1 1 64 64 GLU C C 82 176.501 176.501 176.271 0.230 18167 5197 1 6 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.304 1.537 18167 5198 1 6 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.321 -0.811 18167 5199 1 6 . 1 1 64 64 GLU H H 82 8.664 8.664 8.566 0.098 18167 5200 1 6 . 1 1 65 65 ILE N N 83 121.194 121.194 122.243 -1.049 18167 5201 1 6 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.565 0.012 18167 5202 1 6 . 1 1 65 65 ILE C C 83 173.233 173.233 173.999 -0.766 18167 5203 1 6 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.032 0.766 18167 5204 1 6 . 1 1 65 65 ILE CB C 83 39.488 39.488 38.263 1.225 18167 5205 1 6 . 1 1 65 65 ILE H H 83 8.271 8.271 8.428 -0.157 18167 5206 1 6 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.682 -0.231 18167 5207 1 6 . 1 1 66 66 PRO C C 84 177.697 177.697 177.634 0.063 18167 5208 1 6 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.361 0.836 18167 5209 1 6 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.895 -0.831 18167 5210 1 6 . 1 1 67 67 SER N N 85 116.018 116.018 118.411 -2.393 18167 5211 1 6 . 1 1 67 67 SER HA H 85 4.149 4.149 4.183 -0.034 18167 5212 1 6 . 1 1 67 67 SER C C 85 174.387 174.387 174.843 -0.456 18167 5213 1 6 . 1 1 67 67 SER CA C 85 60.348 60.348 60.417 -0.069 18167 5214 1 6 . 1 1 67 67 SER CB C 85 63.402 63.402 63.090 0.312 18167 5215 1 6 . 1 1 67 67 SER H H 85 8.465 8.465 8.636 -0.171 18167 5216 1 6 . 1 1 68 68 ASP N N 86 118.568 118.568 117.702 0.866 18167 5217 1 6 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.508 0.050 18167 5218 1 6 . 1 1 68 68 ASP C C 86 175.732 175.732 176.220 -0.488 18167 5219 1 6 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.185 -1.375 18167 5220 1 6 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.570 -0.352 18167 5221 1 6 . 1 1 68 68 ASP H H 86 8.531 8.531 8.426 0.105 18167 5222 1 6 . 1 1 69 69 LYS N N 87 119.225 119.225 118.381 0.844 18167 5223 1 6 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.736 -0.054 18167 5224 1 6 . 1 1 69 69 LYS C C 87 175.814 175.814 175.037 0.777 18167 5225 1 6 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.265 -0.404 18167 5226 1 6 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.525 -1.819 18167 5227 1 6 . 1 1 69 69 LYS H H 87 7.653 7.653 7.436 0.217 18167 5228 1 6 . 1 1 70 70 THR N N 88 113.175 113.175 114.909 -1.734 18167 5229 1 6 . 1 1 70 70 THR HA H 88 4.529 4.529 4.538 -0.009 18167 5230 1 6 . 1 1 70 70 THR C C 88 175.278 175.278 175.528 -0.250 18167 5231 1 6 . 1 1 70 70 THR CA C 88 60.699 60.699 60.076 0.623 18167 5232 1 6 . 1 1 70 70 THR CB C 88 70.710 70.710 70.582 0.128 18167 5233 1 6 . 1 1 70 70 THR H H 88 8.608 8.608 7.963 0.645 18167 5234 1 6 . 1 1 71 71 LEU N N 89 121.978 121.978 122.863 -0.885 18167 5235 1 6 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.975 -0.038 18167 5236 1 6 . 1 1 71 71 LEU C C 89 177.698 177.698 177.633 0.065 18167 5237 1 6 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.256 -0.492 18167 5238 1 6 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.667 0.828 18167 5239 1 6 . 1 1 71 71 LEU H H 89 7.998 7.998 8.568 -0.570 18167 5240 1 6 . 1 1 72 72 THR N N 90 106.680 106.680 108.663 -1.983 18167 5241 1 6 . 1 1 72 72 THR HA H 90 4.221 4.221 4.079 0.142 18167 5242 1 6 . 1 1 72 72 THR C C 90 176.248 176.248 175.242 1.006 18167 5243 1 6 . 1 1 72 72 THR CA C 90 63.648 63.648 64.915 -1.267 18167 5244 1 6 . 1 1 72 72 THR CB C 90 68.620 68.620 68.626 -0.006 18167 5245 1 6 . 1 1 72 72 THR H H 90 7.798 7.798 7.889 -0.091 18167 5246 1 6 . 1 1 73 73 ASP N N 91 120.626 120.626 120.291 0.335 18167 5247 1 6 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.546 0.064 18167 5248 1 6 . 1 1 73 73 ASP C C 91 177.133 177.133 178.022 -0.889 18167 5249 1 6 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.894 -0.292 18167 5250 1 6 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.723 0.950 18167 5251 1 6 . 1 1 73 73 ASP H H 91 7.805 7.805 8.091 -0.286 18167 5252 1 6 . 1 1 74 74 LEU N N 92 120.238 120.238 119.769 0.469 18167 5253 1 6 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.050 0.171 18167 5254 1 6 . 1 1 74 74 LEU C C 92 176.907 176.907 177.309 -0.402 18167 5255 1 6 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.602 -0.959 18167 5256 1 6 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.683 -1.359 18167 5257 1 6 . 1 1 74 74 LEU H H 92 8.182 8.182 8.132 0.050 18167 5258 1 6 . 1 1 75 75 GLY N N 93 105.772 105.772 103.195 2.577 18167 5259 1 6 . 1 1 75 75 GLY C C 93 173.853 173.853 171.911 1.942 18167 5260 1 6 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.617 -0.589 18167 5261 1 6 . 1 1 75 75 GLY H H 93 7.713 7.713 7.398 0.315 18167 5262 1 6 . 1 1 76 76 THR N N 94 111.354 111.354 109.604 1.750 18167 5263 1 6 . 1 1 76 76 THR HA H 94 4.426 4.426 4.799 -0.373 18167 5264 1 6 . 1 1 76 76 THR C C 94 174.396 174.396 176.008 -1.612 18167 5265 1 6 . 1 1 76 76 THR CA C 94 61.220 61.220 60.184 1.036 18167 5266 1 6 . 1 1 76 76 THR CB C 94 71.400 71.400 71.805 -0.405 18167 5267 1 6 . 1 1 76 76 THR H H 94 8.842 8.842 8.195 0.647 18167 5268 1 6 . 1 1 77 77 ALA N N 95 122.586 122.586 123.646 -1.060 18167 5269 1 6 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.845 -0.519 18167 5270 1 6 . 1 1 77 77 ALA C C 95 179.120 179.120 179.266 -0.146 18167 5271 1 6 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.577 0.047 18167 5272 1 6 . 1 1 77 77 ALA CB C 95 16.979 16.979 18.029 -1.050 18167 5273 1 6 . 1 1 77 77 ALA H H 95 8.861 8.861 8.853 0.008 18167 5274 1 6 . 1 1 78 78 THR N N 96 110.298 110.298 114.945 -4.647 18167 5275 1 6 . 1 1 78 78 THR HA H 96 3.479 3.479 3.919 -0.440 18167 5276 1 6 . 1 1 78 78 THR C C 96 175.297 175.297 176.580 -1.283 18167 5277 1 6 . 1 1 78 78 THR CA C 96 66.314 66.314 66.238 0.076 18167 5278 1 6 . 1 1 78 78 THR CB C 96 68.335 68.335 68.566 -0.231 18167 5279 1 6 . 1 1 78 78 THR H H 96 7.757 7.757 7.761 -0.004 18167 5280 1 6 . 1 1 79 79 ASP N N 97 122.829 122.829 122.363 0.466 18167 5281 1 6 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.605 -0.193 18167 5282 1 6 . 1 1 79 79 ASP C C 97 179.693 179.693 178.636 1.057 18167 5283 1 6 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.361 0.633 18167 5284 1 6 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.804 -0.273 18167 5285 1 6 . 1 1 79 79 ASP H H 97 7.448 7.448 8.167 -0.719 18167 5286 1 6 . 1 1 80 80 VAL N N 98 121.175 121.175 119.478 1.697 18167 5287 1 6 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.795 -0.313 18167 5288 1 6 . 1 1 80 80 VAL C C 98 178.667 178.667 178.048 0.619 18167 5289 1 6 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.726 -0.169 18167 5290 1 6 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.599 -0.090 18167 5291 1 6 . 1 1 80 80 VAL H H 98 8.390 8.390 8.706 -0.316 18167 5292 1 6 . 1 1 81 81 GLY N N 99 108.920 108.920 108.223 0.697 18167 5293 1 6 . 1 1 81 81 GLY C C 99 175.133 175.133 176.172 -1.039 18167 5294 1 6 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.445 1.605 18167 5295 1 6 . 1 1 81 81 GLY H H 99 8.630 8.630 7.978 0.652 18167 5296 1 6 . 1 1 82 82 TYR N N 100 121.598 121.598 122.115 -0.517 18167 5297 1 6 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.340 -0.012 18167 5298 1 6 . 1 1 82 82 TYR C C 100 179.383 179.383 178.555 0.828 18167 5299 1 6 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.474 0.265 18167 5300 1 6 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.254 -1.155 18167 5301 1 6 . 1 1 82 82 TYR H H 100 8.880 8.880 7.890 0.990 18167 5302 1 6 . 1 1 83 83 ARG N N 101 121.436 121.436 118.878 2.558 18167 5303 1 6 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.021 0.066 18167 5304 1 6 . 1 1 83 83 ARG C C 101 178.906 178.906 178.715 0.191 18167 5305 1 6 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.755 0.792 18167 5306 1 6 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.633 -0.010 18167 5307 1 6 . 1 1 83 83 ARG H H 101 8.102 8.102 8.323 -0.221 18167 5308 1 6 . 1 1 84 84 PHE N N 102 121.581 121.581 122.359 -0.778 18167 5309 1 6 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.243 0.144 18167 5310 1 6 . 1 1 84 84 PHE C C 102 177.731 177.731 177.092 0.639 18167 5311 1 6 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.295 -1.289 18167 5312 1 6 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.893 -0.652 18167 5313 1 6 . 1 1 84 84 PHE H H 102 8.511 8.511 8.726 -0.215 18167 5314 1 6 . 1 1 85 85 MET N N 103 117.909 117.909 117.722 0.187 18167 5315 1 6 . 1 1 85 85 MET HA H 103 3.850 3.850 3.858 -0.008 18167 5316 1 6 . 1 1 85 85 MET C C 103 178.063 178.063 178.442 -0.379 18167 5317 1 6 . 1 1 85 85 MET CA C 103 57.352 57.352 57.765 -0.413 18167 5318 1 6 . 1 1 85 85 MET CB C 103 33.654 33.654 31.159 2.495 18167 5319 1 6 . 1 1 85 85 MET H H 103 8.350 8.350 7.715 0.635 18167 5320 1 6 . 1 1 86 86 LYS N N 104 118.874 118.874 119.888 -1.014 18167 5321 1 6 . 1 1 86 86 LYS HA H 104 4.004 4.004 4.057 -0.053 18167 5322 1 6 . 1 1 86 86 LYS C C 104 177.910 177.910 179.215 -1.305 18167 5323 1 6 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.528 -0.080 18167 5324 1 6 . 1 1 86 86 LYS CB C 104 31.685 31.685 31.881 -0.196 18167 5325 1 6 . 1 1 86 86 LYS H H 104 7.578 7.578 7.771 -0.193 18167 5326 1 6 . 1 1 87 87 THR N N 105 114.567 114.567 117.554 -2.987 18167 5327 1 6 . 1 1 87 87 THR HA H 105 3.949 3.949 4.126 -0.177 18167 5328 1 6 . 1 1 87 87 THR C C 105 176.912 176.912 176.271 0.641 18167 5329 1 6 . 1 1 87 87 THR CA C 105 66.108 66.108 66.332 -0.224 18167 5330 1 6 . 1 1 87 87 THR CB C 105 68.909 68.909 68.699 0.210 18167 5331 1 6 . 1 1 87 87 THR H H 105 7.667 7.667 7.932 -0.265 18167 5332 1 6 . 1 1 88 88 VAL N N 106 122.160 122.160 119.834 2.326 18167 5333 1 6 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.520 -0.029 18167 5334 1 6 . 1 1 88 88 VAL C C 106 178.950 178.950 177.734 1.216 18167 5335 1 6 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.864 -0.040 18167 5336 1 6 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.180 0.329 18167 5337 1 6 . 1 1 88 88 VAL H H 106 7.600 7.600 7.792 -0.192 18167 5338 1 6 . 1 1 89 89 ASN N N 107 120.741 120.741 119.649 1.092 18167 5339 1 6 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.519 -0.029 18167 5340 1 6 . 1 1 89 89 ASN C C 107 178.483 178.483 177.986 0.497 18167 5341 1 6 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.098 0.844 18167 5342 1 6 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.639 0.251 18167 5343 1 6 . 1 1 89 89 ASN H H 107 8.501 8.501 8.281 0.220 18167 5344 1 6 . 1 1 90 90 ASP N N 108 121.211 121.211 120.482 0.729 18167 5345 1 6 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.330 0.150 18167 5346 1 6 . 1 1 90 90 ASP C C 108 177.598 177.598 177.180 0.418 18167 5347 1 6 . 1 1 90 90 ASP CA C 108 56.367 56.367 57.105 -0.738 18167 5348 1 6 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.129 0.113 18167 5349 1 6 . 1 1 90 90 ASP H H 108 8.824 8.824 8.716 0.108 18167 5350 1 6 . 1 1 91 91 ALA N N 109 121.181 121.181 119.611 1.570 18167 5351 1 6 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.504 -0.112 18167 5352 1 6 . 1 1 91 91 ALA C C 109 177.936 177.936 178.763 -0.827 18167 5353 1 6 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.061 -0.369 18167 5354 1 6 . 1 1 91 91 ALA CB C 109 18.889 18.889 20.081 -1.192 18167 5355 1 6 . 1 1 91 91 ALA H H 109 7.507 7.507 7.421 0.086 18167 5356 1 6 . 1 1 92 92 SER N N 110 113.785 113.785 114.185 -0.400 18167 5357 1 6 . 1 1 92 92 SER HA H 110 4.537 4.537 4.271 0.266 18167 5358 1 6 . 1 1 92 92 SER C C 110 174.252 174.252 175.416 -1.164 18167 5359 1 6 . 1 1 92 92 SER CA C 110 58.565 58.565 59.219 -0.654 18167 5360 1 6 . 1 1 92 92 SER CB C 110 64.795 64.795 63.678 1.117 18167 5361 1 6 . 1 1 92 92 SER H H 110 7.611 7.611 7.929 -0.318 18167 5362 1 6 . 1 1 93 93 GLN N N 111 119.994 119.994 122.031 -2.037 18167 5363 1 6 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.097 0.326 18167 5364 1 6 . 1 1 93 93 GLN C C 111 176.441 176.441 177.686 -1.245 18167 5365 1 6 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.126 -2.334 18167 5366 1 6 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.590 0.253 18167 5367 1 6 . 1 1 93 93 GLN H H 111 8.414 8.414 8.249 0.165 18167 5368 1 6 . 1 1 94 94 GLY N N 112 107.948 107.948 107.392 0.556 18167 5369 1 6 . 1 1 94 94 GLY C C 112 174.406 174.406 175.227 -0.821 18167 5370 1 6 . 1 1 94 94 GLY CA C 112 45.942 45.942 47.012 -1.070 18167 5371 1 6 . 1 1 94 94 GLY H H 112 8.467 8.467 8.297 0.170 18167 5372 1 6 . 1 1 95 95 ASP N N 113 119.500 119.500 119.480 0.020 18167 5373 1 6 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.645 -0.089 18167 5374 1 6 . 1 1 95 95 ASP C C 113 175.438 175.438 176.375 -0.937 18167 5375 1 6 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.603 0.077 18167 5376 1 6 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.432 -1.238 18167 5377 1 6 . 1 1 95 95 ASP H H 113 8.423 8.423 8.007 0.416 18167 5378 1 6 . 1 1 96 96 ARG N N 114 118.992 118.992 120.577 -1.585 18167 5379 1 6 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.826 0.235 18167 5380 1 6 . 1 1 96 96 ARG C C 114 175.699 175.699 175.068 0.631 18167 5381 1 6 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.021 -0.978 18167 5382 1 6 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.345 1.295 18167 5383 1 6 . 1 1 96 96 ARG H H 114 7.507 7.507 7.673 -0.166 18167 5384 1 6 . 1 1 97 97 GLN N N 115 121.149 121.149 120.238 0.911 18167 5385 1 6 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.712 -0.043 18167 5386 1 6 . 1 1 97 97 GLN C C 115 173.696 173.696 174.218 -0.522 18167 5387 1 6 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.441 0.116 18167 5388 1 6 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.598 -1.525 18167 5389 1 6 . 1 1 97 97 GLN H H 115 8.814 8.814 8.728 0.086 18167 5390 1 6 . 1 1 98 98 ALA N N 116 129.789 129.789 126.120 3.669 18167 5391 1 6 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.363 -0.047 18167 5392 1 6 . 1 1 98 98 ALA C C 116 176.503 176.503 176.290 0.213 18167 5393 1 6 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.270 0.544 18167 5394 1 6 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.871 0.171 18167 5395 1 6 . 1 1 98 98 ALA H H 116 9.836 9.836 8.590 1.246 18167 5396 1 6 . 1 1 99 99 GLU N N 117 122.780 122.780 123.478 -0.698 18167 5397 1 6 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.636 -0.033 18167 5398 1 6 . 1 1 99 99 GLU C C 117 174.361 174.361 174.958 -0.597 18167 5399 1 6 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.686 -0.366 18167 5400 1 6 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.292 0.020 18167 5401 1 6 . 1 1 99 99 GLU H H 117 9.252 9.252 8.561 0.691 18167 5402 1 6 . 1 1 100 100 LEU N N 118 127.043 127.043 128.911 -1.868 18167 5403 1 6 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.397 -0.090 18167 5404 1 6 . 1 1 100 100 LEU C C 118 176.338 176.338 176.348 -0.010 18167 5405 1 6 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.087 0.435 18167 5406 1 6 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.915 0.726 18167 5407 1 6 . 1 1 100 100 LEU H H 118 8.765 8.765 8.785 -0.020 18167 5408 1 6 . 1 1 101 101 ILE N N 119 128.101 128.101 127.556 0.545 18167 5409 1 6 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.789 0.307 18167 5410 1 6 . 1 1 101 101 ILE C C 119 175.634 175.634 176.534 -0.900 18167 5411 1 6 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.193 -0.790 18167 5412 1 6 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.458 0.600 18167 5413 1 6 . 1 1 101 101 ILE H H 119 9.244 9.244 8.518 0.726 18167 5414 1 6 . 1 1 102 102 ASN N N 120 114.715 114.715 114.893 -0.178 18167 5415 1 6 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.777 0.178 18167 5416 1 6 . 1 1 102 102 ASN C C 120 172.326 172.326 172.758 -0.432 18167 5417 1 6 . 1 1 102 102 ASN CA C 120 53.373 53.373 53.016 0.357 18167 5418 1 6 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.635 1.252 18167 5419 1 6 . 1 1 102 102 ASN H H 120 7.989 7.989 7.849 0.140 18167 5420 1 6 . 1 1 103 103 ALA N N 121 125.011 125.011 123.074 1.937 18167 5421 1 6 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.140 0.317 18167 5422 1 6 . 1 1 103 103 ALA C C 121 175.068 175.068 175.371 -0.303 18167 5423 1 6 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.230 0.129 18167 5424 1 6 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.109 1.300 18167 5425 1 6 . 1 1 103 103 ALA H H 121 8.182 8.182 8.388 -0.206 18167 5426 1 6 . 1 1 104 104 GLU N N 122 121.148 121.148 120.517 0.631 18167 5427 1 6 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.711 -0.016 18167 5428 1 6 . 1 1 104 104 GLU C C 122 173.666 173.666 174.014 -0.348 18167 5429 1 6 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.453 0.640 18167 5430 1 6 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.501 0.009 18167 5431 1 6 . 1 1 104 104 GLU H H 122 8.817 8.817 8.227 0.590 18167 5432 1 6 . 1 1 105 105 ALA N N 123 124.441 124.441 122.348 2.093 18167 5433 1 6 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.315 0.212 18167 5434 1 6 . 1 1 105 105 ALA C C 123 176.479 176.479 176.516 -0.037 18167 5435 1 6 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.864 0.267 18167 5436 1 6 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.977 0.874 18167 5437 1 6 . 1 1 105 105 ALA H H 123 8.860 8.860 8.356 0.504 18167 5438 1 6 . 1 1 106 106 ARG N N 124 120.892 120.892 119.580 1.312 18167 5439 1 6 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.742 0.081 18167 5440 1 6 . 1 1 106 106 ARG C C 124 172.820 172.820 174.564 -1.744 18167 5441 1 6 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.496 0.276 18167 5442 1 6 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.467 -1.197 18167 5443 1 6 . 1 1 106 106 ARG H H 124 9.209 9.209 9.072 0.137 18167 5444 1 6 . 1 1 107 107 ASP N N 125 122.706 122.706 123.289 -0.583 18167 5445 1 6 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.780 -0.541 18167 5446 1 6 . 1 1 107 107 ASP C C 125 176.097 176.097 175.773 0.324 18167 5447 1 6 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.258 -0.314 18167 5448 1 6 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.201 0.937 18167 5449 1 6 . 1 1 107 107 ASP H H 125 8.633 8.633 8.642 -0.009 18167 5450 1 6 . 1 1 108 108 GLU N N 126 126.120 126.120 123.497 2.623 18167 5451 1 6 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.692 0.013 18167 5452 1 6 . 1 1 108 108 GLU C C 126 175.768 175.768 176.463 -0.695 18167 5453 1 6 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.016 0.001 18167 5454 1 6 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.475 -3.051 18167 5455 1 6 . 1 1 108 108 GLU H H 126 9.152 9.152 9.415 -0.263 18167 5456 1 6 . 1 1 109 109 ASP N N 127 126.277 126.277 123.199 3.078 18167 5457 1 6 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.384 -0.030 18167 5458 1 6 . 1 1 109 109 ASP C C 127 175.414 175.414 176.717 -1.303 18167 5459 1 6 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.893 0.497 18167 5460 1 6 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.239 0.003 18167 5461 1 6 . 1 1 109 109 ASP H H 127 9.067 9.067 8.974 0.093 18167 5462 1 6 . 1 1 110 110 GLY N N 128 106.859 106.859 103.895 2.964 18167 5463 1 6 . 1 1 110 110 GLY C C 128 173.761 173.761 174.262 -0.501 18167 5464 1 6 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.096 0.146 18167 5465 1 6 . 1 1 110 110 GLY H H 128 9.008 9.008 8.210 0.798 18167 5466 1 6 . 1 1 111 111 GLN N N 129 123.033 123.033 119.859 3.174 18167 5467 1 6 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.535 -0.152 18167 5468 1 6 . 1 1 111 111 GLN C C 129 173.901 173.901 174.516 -0.615 18167 5469 1 6 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.757 -0.821 18167 5470 1 6 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.847 -1.664 18167 5471 1 6 . 1 1 111 111 GLN H H 129 7.825 7.825 8.121 -0.296 18167 5472 1 6 . 1 1 112 112 VAL N N 130 128.263 128.263 121.903 6.360 18167 5473 1 6 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.946 -0.074 18167 5474 1 6 . 1 1 112 112 VAL C C 130 175.591 175.591 174.591 1.000 18167 5475 1 6 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.434 0.670 18167 5476 1 6 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.014 -0.641 18167 5477 1 6 . 1 1 112 112 VAL H H 130 8.330 8.330 8.647 -0.317 18167 5478 1 6 . 1 1 113 113 TYR N N 131 126.702 126.702 125.172 1.530 18167 5479 1 6 . 1 1 113 113 TYR HA H 131 5.050 5.050 5.041 0.009 18167 5480 1 6 . 1 1 113 113 TYR C C 131 175.477 175.477 174.967 0.510 18167 5481 1 6 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.077 0.346 18167 5482 1 6 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.340 1.149 18167 5483 1 6 . 1 1 113 113 TYR H H 131 9.136 9.136 9.481 -0.345 18167 5484 1 6 . 1 1 114 114 TYR N N 132 121.626 121.626 124.172 -2.546 18167 5485 1 6 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.133 0.697 18167 5486 1 6 . 1 1 114 114 TYR C C 132 175.368 175.368 175.518 -0.150 18167 5487 1 6 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.912 -1.844 18167 5488 1 6 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.123 -0.806 18167 5489 1 6 . 1 1 114 114 TYR H H 132 9.577 9.577 9.635 -0.058 18167 5490 1 6 . 1 1 115 115 THR N N 133 120.018 120.018 121.834 -1.816 18167 5491 1 6 . 1 1 115 115 THR HA H 133 5.486 5.486 4.613 0.873 18167 5492 1 6 . 1 1 115 115 THR C C 133 174.327 174.327 172.825 1.502 18167 5493 1 6 . 1 1 115 115 THR CA C 133 61.648 61.648 62.155 -0.507 18167 5494 1 6 . 1 1 115 115 THR CB C 133 69.622 69.622 69.875 -0.253 18167 5495 1 6 . 1 1 115 115 THR H H 133 9.351 9.351 9.267 0.084 18167 5496 1 6 . 1 1 116 116 LEU N N 134 127.249 127.249 128.837 -1.588 18167 5497 1 6 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.749 0.546 18167 5498 1 6 . 1 1 116 116 LEU C C 134 174.347 174.347 174.420 -0.073 18167 5499 1 6 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.213 -1.585 18167 5500 1 6 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.431 0.103 18167 5501 1 6 . 1 1 116 116 LEU H H 134 10.010 10.010 9.488 0.522 18167 5502 1 6 . 1 1 117 117 GLU N N 135 124.969 124.969 126.231 -1.262 18167 5503 1 6 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.719 0.859 18167 5504 1 6 . 1 1 117 117 GLU C C 135 175.635 175.635 174.854 0.781 18167 5505 1 6 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.871 -0.732 18167 5506 1 6 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.350 -0.187 18167 5507 1 6 . 1 1 117 117 GLU H H 135 9.109 9.109 8.464 0.645 18167 5508 1 6 . 1 1 118 118 TYR N N 136 125.868 125.868 122.905 2.963 18167 5509 1 6 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.523 -0.248 18167 5510 1 6 . 1 1 118 118 TYR C C 136 170.317 170.317 172.674 -2.357 18167 5511 1 6 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.870 0.141 18167 5512 1 6 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.049 0.467 18167 5513 1 6 . 1 1 118 118 TYR H H 136 8.973 8.973 8.475 0.498 18167 5514 1 6 . 1 1 119 119 ARG N N 137 115.256 115.256 116.930 -1.674 18167 5515 1 6 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.728 0.349 18167 5516 1 6 . 1 1 119 119 ARG C C 137 173.643 173.643 174.485 -0.842 18167 5517 1 6 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.204 -1.081 18167 5518 1 6 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.170 -0.985 18167 5519 1 6 . 1 1 119 119 ARG H H 137 8.920 8.920 8.745 0.175 18167 5520 1 6 . 1 1 120 120 VAL N N 138 119.767 119.767 121.216 -1.449 18167 5521 1 6 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.877 -0.091 18167 5522 1 6 . 1 1 120 120 VAL C C 138 174.355 174.355 174.568 -0.213 18167 5523 1 6 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.219 0.564 18167 5524 1 6 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.021 1.141 18167 5525 1 6 . 1 1 120 120 VAL H H 138 8.430 8.430 8.820 -0.390 18167 5526 1 6 . 1 1 121 121 LEU N N 139 129.915 129.915 128.476 1.439 18167 5527 1 6 . 1 1 121 121 LEU HA H 139 5.085 5.085 4.980 0.105 18167 5528 1 6 . 1 1 121 121 LEU C C 139 176.376 176.376 175.941 0.435 18167 5529 1 6 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.050 0.609 18167 5530 1 6 . 1 1 121 121 LEU CB C 139 44.122 44.122 44.865 -0.743 18167 5531 1 6 . 1 1 121 121 LEU H H 139 9.333 9.333 9.289 0.044 18167 5532 1 6 . 1 1 122 122 VAL N N 140 120.956 120.956 118.893 2.063 18167 5533 1 6 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.511 -0.136 18167 5534 1 6 . 1 1 122 122 VAL C C 140 177.264 177.264 176.669 0.595 18167 5535 1 6 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.007 1.461 18167 5536 1 6 . 1 1 122 122 VAL CB C 140 32.874 32.874 29.937 2.937 18167 5537 1 6 . 1 1 122 122 VAL H H 140 8.655 8.655 8.599 0.056 18167 5538 1 6 . 1 1 123 123 GLY N N 141 119.059 119.059 118.209 0.850 18167 5539 1 6 . 1 1 123 123 GLY C C 141 174.482 174.482 174.306 0.176 18167 5540 1 6 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.368 0.799 18167 5541 1 6 . 1 1 123 123 GLY H H 141 8.940 8.940 8.112 0.828 18167 5542 1 6 . 1 1 124 124 ASP N N 142 124.652 124.652 125.243 -0.591 18167 5543 1 6 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.883 -0.249 18167 5544 1 6 . 1 1 124 124 ASP C C 142 175.588 175.588 175.052 0.536 18167 5545 1 6 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.633 0.757 18167 5546 1 6 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.408 -0.144 18167 5547 1 6 . 1 1 124 124 ASP H H 142 8.722 8.722 8.616 0.106 18167 5548 1 6 . 1 1 125 125 ASN N N 143 118.203 118.203 118.429 -0.226 18167 5549 1 6 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.976 -0.049 18167 5550 1 6 . 1 1 125 125 ASN C C 143 174.095 174.095 173.739 0.356 18167 5551 1 6 . 1 1 125 125 ASN CA C 143 52.406 52.406 51.999 0.407 18167 5552 1 6 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.202 -0.139 18167 5553 1 6 . 1 1 125 125 ASN H H 143 8.023 8.023 7.594 0.429 18167 5554 1 6 . 1 1 126 126 VAL N N 144 123.424 123.424 122.961 0.463 18167 5555 1 6 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.892 0.188 18167 5556 1 6 . 1 1 126 126 VAL C C 144 175.767 175.767 175.417 0.350 18167 5557 1 6 . 1 1 126 126 VAL CA C 144 63.309 63.309 63.116 0.193 18167 5558 1 6 . 1 1 126 126 VAL H H 144 8.857 8.857 8.726 0.131 18167 5559 1 6 . 1 1 127 127 GLU N N 145 130.709 130.709 129.188 1.521 18167 5560 1 6 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.172 0.233 18167 5561 1 6 . 1 1 127 127 GLU C C 145 176.522 176.522 176.220 0.302 18167 5562 1 6 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.567 -0.603 18167 5563 1 6 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.028 1.327 18167 5564 1 6 . 1 1 127 127 GLU H H 145 9.487 9.487 9.286 0.201 18167 5565 1 6 . 1 1 128 128 ARG N N 146 113.222 113.222 112.674 0.548 18167 5566 1 6 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.509 0.552 18167 5567 1 6 . 1 1 128 128 ARG C C 146 172.055 172.055 173.807 -1.752 18167 5568 1 6 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.188 -0.807 18167 5569 1 6 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.859 1.132 18167 5570 1 6 . 1 1 128 128 ARG H H 146 7.657 7.657 7.630 0.027 18167 5571 1 6 . 1 1 129 129 HIS N N 147 125.158 125.158 117.802 7.356 18167 5572 1 6 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.395 0.237 18167 5573 1 6 . 1 1 129 129 HIS C C 147 172.407 172.407 172.989 -0.582 18167 5574 1 6 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.907 -0.712 18167 5575 1 6 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.495 0.441 18167 5576 1 6 . 1 1 129 129 HIS H H 147 9.295 9.295 8.246 1.049 18167 5577 1 6 . 1 1 130 130 ASP N N 148 122.383 122.383 122.481 -0.098 18167 5578 1 6 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.193 0.934 18167 5579 1 6 . 1 1 130 130 ASP C C 148 174.350 174.350 173.727 0.623 18167 5580 1 6 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.560 -0.613 18167 5581 1 6 . 1 1 130 130 ASP CB C 148 42.968 42.968 43.793 -0.825 18167 5582 1 6 . 1 1 130 130 ASP H H 148 8.879 8.879 8.153 0.726 18167 5583 1 6 . 1 1 131 131 LEU N N 149 121.444 121.444 123.607 -2.163 18167 5584 1 6 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.871 0.418 18167 5585 1 6 . 1 1 131 131 LEU C C 149 174.289 174.289 174.207 0.082 18167 5586 1 6 . 1 1 131 131 LEU CA C 149 53.858 53.858 52.809 1.048 18167 5587 1 6 . 1 1 131 131 LEU CB C 149 47.868 47.868 45.837 2.031 18167 5588 1 6 . 1 1 131 131 LEU H H 149 8.916 8.916 8.354 0.562 18167 5589 1 6 . 1 1 132 132 ALA N N 150 128.498 128.498 128.268 0.230 18167 5590 1 6 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.318 0.712 18167 5591 1 6 . 1 1 132 132 ALA C C 150 176.044 176.044 175.383 0.661 18167 5592 1 6 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.731 -1.330 18167 5593 1 6 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.736 -0.913 18167 5594 1 6 . 1 1 132 132 ALA H H 150 9.920 9.920 9.242 0.677 18167 5595 1 6 . 1 1 133 133 SER N N 151 116.937 116.937 118.491 -1.554 18167 5596 1 6 . 1 1 133 133 SER HA H 151 5.812 5.812 5.563 0.249 18167 5597 1 6 . 1 1 133 133 SER C C 151 173.367 173.367 173.633 -0.266 18167 5598 1 6 . 1 1 133 133 SER CA C 151 56.394 56.394 55.847 0.547 18167 5599 1 6 . 1 1 133 133 SER CB C 151 65.448 65.448 64.779 0.669 18167 5600 1 6 . 1 1 133 133 SER H H 151 9.360 9.360 8.212 1.148 18167 5601 1 6 . 1 1 134 134 VAL N N 152 126.011 126.011 129.700 -3.689 18167 5602 1 6 . 1 1 134 134 VAL HA H 152 5.409 5.409 5.011 0.398 18167 5603 1 6 . 1 1 134 134 VAL C C 152 175.735 175.735 175.195 0.540 18167 5604 1 6 . 1 1 134 134 VAL CA C 152 60.163 60.163 60.893 -0.730 18167 5605 1 6 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.473 2.447 18167 5606 1 6 . 1 1 134 134 VAL H H 152 9.558 9.558 9.321 0.237 18167 5607 1 6 . 1 1 135 135 THR N N 153 118.998 118.998 123.595 -4.597 18167 5608 1 6 . 1 1 135 135 THR HA H 153 4.723 4.723 4.904 -0.181 18167 5609 1 6 . 1 1 135 135 THR C C 153 171.746 171.746 173.904 -2.158 18167 5610 1 6 . 1 1 135 135 THR CA C 153 61.221 61.221 61.492 -0.271 18167 5611 1 6 . 1 1 135 135 THR CB C 153 69.300 69.300 72.803 -3.503 18167 5612 1 6 . 1 1 135 135 THR H H 153 8.960 8.960 9.165 -0.205 18167 5613 1 6 . 1 1 136 136 THR N N 154 109.883 109.883 117.485 -7.602 18167 5614 1 6 . 1 1 136 136 THR HA H 154 5.636 5.636 5.090 0.546 18167 5615 1 6 . 1 1 136 136 THR C C 154 173.904 173.904 174.548 -0.644 18167 5616 1 6 . 1 1 136 136 THR CA C 154 58.391 58.391 59.843 -1.452 18167 5617 1 6 . 1 1 136 136 THR CB C 154 71.387 71.387 70.019 1.368 18167 5618 1 6 . 1 1 136 136 THR H H 154 7.940 7.940 8.336 -0.396 18167 5619 1 6 . 1 1 137 137 ASN N N 155 115.138 115.138 121.273 -6.135 18167 5620 1 6 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.685 0.221 18167 5621 1 6 . 1 1 137 137 ASN C C 155 174.994 174.994 174.652 0.342 18167 5622 1 6 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.262 1.083 18167 5623 1 6 . 1 1 137 137 ASN CB C 155 41.807 41.807 39.432 2.375 18167 5624 1 6 . 1 1 137 137 ASN H H 155 8.938 8.938 8.669 0.269 18167 5625 1 6 . 1 1 138 138 ARG N N 156 125.040 125.040 122.734 2.306 18167 5626 1 6 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.972 -0.015 18167 5627 1 6 . 1 1 138 138 ARG C C 156 175.870 175.870 176.279 -0.409 18167 5628 1 6 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.788 0.335 18167 5629 1 6 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.096 -0.437 18167 5630 1 6 . 1 1 138 138 ARG H H 156 9.364 9.364 8.759 0.605 18167 5631 1 6 . 1 1 139 139 GLY N N 157 104.408 104.408 102.318 2.090 18167 5632 1 6 . 1 1 139 139 GLY C C 157 173.563 173.563 173.561 0.002 18167 5633 1 6 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.927 0.894 18167 5634 1 6 . 1 1 139 139 GLY H H 157 8.862 8.862 8.528 0.334 18167 5635 1 6 . 1 1 140 140 LYS N N 158 117.999 117.999 121.044 -3.045 18167 5636 1 6 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.764 0.196 18167 5637 1 6 . 1 1 140 140 LYS C C 158 174.527 174.527 175.095 -0.568 18167 5638 1 6 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.121 -1.399 18167 5639 1 6 . 1 1 140 140 LYS CB C 158 34.864 34.864 34.467 0.397 18167 5640 1 6 . 1 1 140 140 LYS H H 158 7.718 7.718 7.643 0.075 18167 5641 1 6 . 1 1 141 141 LEU N N 159 124.332 124.332 125.635 -1.303 18167 5642 1 6 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.456 0.174 18167 5643 1 6 . 1 1 141 141 LEU C C 159 175.337 175.337 175.165 0.172 18167 5644 1 6 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.178 0.060 18167 5645 1 6 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.487 0.385 18167 5646 1 6 . 1 1 141 141 LEU H H 159 9.006 9.006 9.132 -0.126 18167 5647 1 6 . 1 1 142 142 ILE N N 160 128.619 128.619 126.820 1.799 18167 5648 1 6 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.779 -0.050 18167 5649 1 6 . 1 1 142 142 ILE C C 160 173.414 173.414 174.923 -1.509 18167 5650 1 6 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.329 0.904 18167 5651 1 6 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.819 -0.635 18167 5652 1 6 . 1 1 142 142 ILE H H 160 9.129 9.129 8.918 0.211 18167 5653 1 6 . 1 1 143 143 THR N N 161 122.266 122.266 122.931 -0.665 18167 5654 1 6 . 1 1 143 143 THR HA H 161 4.797 4.797 5.335 -0.538 18167 5655 1 6 . 1 1 143 143 THR C C 161 171.903 171.903 173.256 -1.353 18167 5656 1 6 . 1 1 143 143 THR CA C 161 61.666 61.666 60.623 1.043 18167 5657 1 6 . 1 1 143 143 THR CB C 161 70.025 70.025 71.535 -1.510 18167 5658 1 6 . 1 1 143 143 THR H H 161 8.818 8.818 8.368 0.450 18167 5659 1 6 . 1 1 144 144 PHE N N 162 130.742 130.742 126.740 4.002 18167 5660 1 6 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.766 0.024 18167 5661 1 6 . 1 1 144 144 PHE C C 162 173.404 173.404 173.556 -0.152 18167 5662 1 6 . 1 1 144 144 PHE CA C 162 55.220 55.220 55.457 -0.237 18167 5663 1 6 . 1 1 144 144 PHE CB C 162 39.740 39.740 40.820 -1.080 18167 5664 1 6 . 1 1 144 144 PHE H H 162 9.219 9.219 8.791 0.428 18167 5665 1 6 . 1 1 145 145 ASP N N 163 127.154 127.154 128.421 -1.267 18167 5666 1 6 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.417 -0.461 18167 5667 1 6 . 1 1 145 145 ASP C C 163 174.933 174.933 174.973 -0.040 18167 5668 1 6 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.600 -0.190 18167 5669 1 6 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.984 0.340 18167 5670 1 6 . 1 1 145 145 ASP H H 163 8.862 8.862 8.683 0.179 18167 5671 1 6 . 1 1 146 146 LEU N N 164 131.658 131.658 127.938 3.720 18167 5672 1 6 . 1 1 146 146 LEU HA H 164 4.595 4.595 5.082 -0.487 18167 5673 1 6 . 1 1 146 146 LEU C C 164 174.511 174.511 175.311 -0.800 18167 5674 1 6 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.186 -0.215 18167 5675 1 6 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.441 -2.344 18167 5676 1 6 . 1 1 146 146 LEU H H 164 8.938 8.938 8.926 0.012 18167 5677 1 6 . 1 1 147 147 SER N N 165 114.966 114.966 117.540 -2.574 18167 5678 1 6 . 1 1 147 147 SER HA H 165 5.186 5.186 5.238 -0.052 18167 5679 1 6 . 1 1 147 147 SER C C 165 173.417 173.417 172.952 0.465 18167 5680 1 6 . 1 1 147 147 SER CA C 165 56.600 56.600 56.938 -0.338 18167 5681 1 6 . 1 1 147 147 SER CB C 165 67.205 67.205 65.001 2.204 18167 5682 1 6 . 1 1 147 147 SER H H 165 8.995 8.995 9.288 -0.293 18167 5683 1 6 . 1 1 148 148 THR N N 166 118.620 118.620 121.711 -3.091 18167 5684 1 6 . 1 1 148 148 THR HA H 166 5.144 5.144 4.907 0.237 18167 5685 1 6 . 1 1 148 148 THR C C 166 173.151 173.151 172.830 0.321 18167 5686 1 6 . 1 1 148 148 THR CA C 166 60.362 60.362 61.709 -1.347 18167 5687 1 6 . 1 1 148 148 THR CB C 166 69.214 69.214 73.275 -4.061 18167 5688 1 6 . 1 1 148 148 THR H H 166 8.614 8.614 7.904 0.710 18167 5689 1 6 . 1 1 149 149 ALA N N 167 124.595 124.595 124.834 -0.239 18167 5690 1 6 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.179 0.426 18167 5691 1 6 . 1 1 149 149 ALA C C 167 179.460 179.460 178.063 1.397 18167 5692 1 6 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.918 -1.362 18167 5693 1 6 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.539 0.719 18167 5694 1 6 . 1 1 149 149 ALA H H 167 8.107 8.107 8.709 -0.602 18167 5695 1 6 . 1 1 150 150 GLU N N 168 123.906 123.906 123.401 0.505 18167 5696 1 6 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.728 0.770 18167 5697 1 6 . 1 1 150 150 GLU C C 168 178.587 178.587 177.633 0.954 18167 5698 1 6 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.720 -0.774 18167 5699 1 6 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.419 -0.712 18167 5700 1 6 . 1 1 150 150 GLU H H 168 8.471 8.471 8.900 -0.429 18167 5701 1 6 . 1 1 151 151 ASP N N 169 114.005 114.005 118.986 -4.981 18167 5702 1 6 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.434 0.049 18167 5703 1 6 . 1 1 151 151 ASP C C 169 177.260 177.260 177.891 -0.631 18167 5704 1 6 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.551 -0.633 18167 5705 1 6 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.614 -0.528 18167 5706 1 6 . 1 1 151 151 ASP H H 169 8.575 8.575 8.720 -0.145 18167 5707 1 6 . 1 1 152 152 ARG N N 170 118.283 118.283 118.305 -0.022 18167 5708 1 6 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.389 -0.058 18167 5709 1 6 . 1 1 152 152 ARG C C 170 177.094 177.094 177.897 -0.803 18167 5710 1 6 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.977 -1.141 18167 5711 1 6 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.532 1.452 18167 5712 1 6 . 1 1 152 152 ARG H H 170 7.663 7.663 7.943 -0.280 18167 5713 1 6 . 1 1 153 153 TRP N N 171 122.336 122.336 123.122 -0.786 18167 5714 1 6 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.566 -0.656 18167 5715 1 6 . 1 1 153 153 TRP C C 171 175.820 175.820 176.405 -0.585 18167 5716 1 6 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.572 -0.696 18167 5717 1 6 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.272 0.136 18167 5718 1 6 . 1 1 153 153 TRP H H 171 7.689 7.689 8.359 -0.670 18167 5719 1 6 . 1 1 154 154 ASP N N 172 114.179 114.179 116.593 -2.414 18167 5720 1 6 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.581 -0.564 18167 5721 1 6 . 1 1 154 154 ASP C C 172 178.442 178.442 179.372 -0.930 18167 5722 1 6 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.985 0.518 18167 5723 1 6 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.751 -0.586 18167 5724 1 6 . 1 1 154 154 ASP H H 172 8.690 8.690 8.118 0.572 18167 5725 1 6 . 1 1 155 155 THR N N 173 114.661 114.661 115.959 -1.298 18167 5726 1 6 . 1 1 155 155 THR HA H 173 3.990 3.990 4.142 -0.152 18167 5727 1 6 . 1 1 155 155 THR C C 173 175.985 175.985 176.052 -0.067 18167 5728 1 6 . 1 1 155 155 THR CA C 173 65.585 65.585 65.478 0.107 18167 5729 1 6 . 1 1 155 155 THR CB C 173 69.076 69.076 69.278 -0.202 18167 5730 1 6 . 1 1 155 155 THR H H 173 7.635 7.635 7.903 -0.268 18167 5731 1 6 . 1 1 156 156 VAL N N 174 113.687 113.687 113.257 0.430 18167 5732 1 6 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.372 -0.095 18167 5733 1 6 . 1 1 156 156 VAL C C 174 176.185 176.185 175.202 0.983 18167 5734 1 6 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.235 1.209 18167 5735 1 6 . 1 1 156 156 VAL CB C 174 33.153 33.153 31.353 1.800 18167 5736 1 6 . 1 1 156 156 VAL H H 174 7.447 7.447 7.828 -0.381 18167 5737 1 6 . 1 1 157 157 LYS N N 175 123.084 123.084 121.040 2.044 18167 5738 1 6 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.488 -0.644 18167 5739 1 6 . 1 1 157 157 LYS C C 175 177.321 177.321 177.801 -0.480 18167 5740 1 6 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.728 0.491 18167 5741 1 6 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.808 -1.613 18167 5742 1 6 . 1 1 157 157 LYS H H 175 7.548 7.548 7.070 0.478 18167 5743 1 6 . 1 1 158 158 SER N N 176 114.046 114.046 115.828 -1.782 18167 5744 1 6 . 1 1 158 158 SER HA H 176 3.820 3.820 4.177 -0.357 18167 5745 1 6 . 1 1 158 158 SER C C 176 176.927 176.927 176.203 0.724 18167 5746 1 6 . 1 1 158 158 SER CA C 176 61.600 61.600 60.867 0.733 18167 5747 1 6 . 1 1 158 158 SER CB C 176 62.048 62.048 62.627 -0.579 18167 5748 1 6 . 1 1 158 158 SER H H 176 8.161 8.161 8.231 -0.070 18167 5749 1 6 . 1 1 159 159 LEU N N 177 126.125 126.125 123.266 2.859 18167 5750 1 6 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.765 0.408 18167 5751 1 6 . 1 1 159 159 LEU C C 177 178.403 178.403 177.941 0.462 18167 5752 1 6 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.723 -0.021 18167 5753 1 6 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.268 -0.192 18167 5754 1 6 . 1 1 159 159 LEU H H 177 7.587 7.587 6.866 0.721 18167 5755 1 6 . 1 1 160 160 PHE N N 178 119.582 119.582 117.475 2.107 18167 5756 1 6 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.899 0.383 18167 5757 1 6 . 1 1 160 160 PHE C C 178 177.277 177.277 177.703 -0.426 18167 5758 1 6 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.754 -3.044 18167 5759 1 6 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.498 -1.958 18167 5760 1 6 . 1 1 160 160 PHE H H 178 9.067 9.067 6.736 2.331 18167 5761 1 6 . 1 1 161 161 ASP N N 179 120.599 120.599 119.763 0.836 18167 5762 1 6 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.438 -0.098 18167 5763 1 6 . 1 1 161 161 ASP C C 179 179.216 179.216 178.902 0.314 18167 5764 1 6 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.482 0.420 18167 5765 1 6 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.098 0.859 18167 5766 1 6 . 1 1 161 161 ASP H H 179 8.578 8.578 7.652 0.926 18167 5767 1 6 . 1 1 162 162 THR N N 180 118.300 118.300 118.308 -0.008 18167 5768 1 6 . 1 1 162 162 THR HA H 180 3.849 3.849 4.099 -0.250 18167 5769 1 6 . 1 1 162 162 THR C C 180 176.875 176.875 176.722 0.153 18167 5770 1 6 . 1 1 162 162 THR CA C 180 66.977 66.977 66.577 0.400 18167 5771 1 6 . 1 1 162 162 THR CB C 180 68.886 68.886 68.784 0.102 18167 5772 1 6 . 1 1 162 162 THR H H 180 7.771 7.771 8.456 -0.685 18167 5773 1 6 . 1 1 163 163 VAL N N 181 123.234 123.234 121.692 1.542 18167 5774 1 6 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.581 0.013 18167 5775 1 6 . 1 1 163 163 VAL C C 181 180.016 180.016 177.478 2.538 18167 5776 1 6 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.771 -0.015 18167 5777 1 6 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.042 0.670 18167 5778 1 6 . 1 1 163 163 VAL H H 181 8.831 8.831 8.263 0.568 18167 5779 1 6 . 1 1 164 164 ALA N N 182 124.654 124.654 121.458 3.196 18167 5780 1 6 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.510 0.752 18167 5781 1 6 . 1 1 164 164 ALA C C 182 180.510 180.510 179.040 1.470 18167 5782 1 6 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.807 1.652 18167 5783 1 6 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.426 -0.863 18167 5784 1 6 . 1 1 164 164 ALA H H 182 9.662 9.662 8.084 1.578 18167 5785 1 6 . 1 1 165 165 SER N N 183 112.325 112.325 113.219 -0.894 18167 5786 1 6 . 1 1 165 165 SER HA H 183 4.173 4.173 4.501 -0.328 18167 5787 1 6 . 1 1 165 165 SER C C 183 173.817 173.817 176.444 -2.627 18167 5788 1 6 . 1 1 165 165 SER CA C 183 61.155 61.155 60.391 0.764 18167 5789 1 6 . 1 1 165 165 SER CB C 183 63.140 63.140 63.571 -0.431 18167 5790 1 6 . 1 1 165 165 SER H H 183 7.988 7.988 8.072 -0.084 18167 5791 1 6 . 1 1 166 166 SER N N 184 117.332 117.332 117.571 -0.239 18167 5792 1 6 . 1 1 166 166 SER HA H 184 4.356 4.356 4.422 -0.066 18167 5793 1 6 . 1 1 166 166 SER C C 184 174.163 174.163 175.551 -1.388 18167 5794 1 6 . 1 1 166 166 SER CA C 184 59.502 59.502 59.958 -0.456 18167 5795 1 6 . 1 1 166 166 SER CB C 184 63.416 63.416 63.774 -0.358 18167 5796 1 6 . 1 1 166 166 SER H H 184 7.766 7.766 8.062 -0.296 18167 5797 1 6 . 1 1 167 167 PHE N N 185 124.827 124.827 121.095 3.732 18167 5798 1 6 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.843 0.320 18167 5799 1 6 . 1 1 167 167 PHE C C 185 174.545 174.545 175.018 -0.473 18167 5800 1 6 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.300 -0.798 18167 5801 1 6 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.739 -1.349 18167 5802 1 6 . 1 1 167 167 PHE H H 185 7.101 7.101 7.960 -0.859 18167 5803 1 6 . 1 1 168 168 HIS N N 186 127.050 127.050 120.828 6.222 18167 5804 1 6 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.613 0.540 18167 5805 1 6 . 1 1 168 168 HIS C C 186 172.836 172.836 172.893 -0.057 18167 5806 1 6 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.238 -0.082 18167 5807 1 6 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.770 -1.766 18167 5808 1 6 . 1 1 168 168 HIS H H 186 8.645 8.645 8.747 -0.102 18167 5809 1 6 . 1 1 169 169 VAL N N 187 114.268 114.268 118.915 -4.647 18167 5810 1 6 . 1 1 169 169 VAL HA H 187 5.160 5.160 4.946 0.214 18167 5811 1 6 . 1 1 169 169 VAL C C 187 174.449 174.449 173.980 0.469 18167 5812 1 6 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.062 -0.709 18167 5813 1 6 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.572 -1.163 18167 5814 1 6 . 1 1 169 169 VAL H H 187 7.466 7.466 8.454 -0.988 18167 5815 1 7 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.455 0.017 18167 5816 1 7 . 1 1 2 2 PRO C C 20 177.006 177.006 178.248 -1.242 18167 5817 1 7 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.871 -0.831 18167 5818 1 7 . 1 1 2 2 PRO CB C 20 32.064 32.064 31.643 0.421 18167 5819 1 7 . 1 1 3 3 LEU N N 21 122.423 122.423 118.727 3.696 18167 5820 1 7 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.080 0.261 18167 5821 1 7 . 1 1 3 3 LEU C C 21 177.928 177.928 177.720 0.208 18167 5822 1 7 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.399 -0.081 18167 5823 1 7 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.737 0.529 18167 5824 1 7 . 1 1 3 3 LEU H H 21 8.551 8.551 7.718 0.833 18167 5825 1 7 . 1 1 4 4 GLY N N 22 109.759 109.759 107.590 2.169 18167 5826 1 7 . 1 1 4 4 GLY C C 22 174.309 174.309 173.513 0.796 18167 5827 1 7 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.394 0.836 18167 5828 1 7 . 1 1 4 4 GLY H H 22 8.423 8.423 7.430 0.993 18167 5829 1 7 . 1 1 5 5 SER N N 23 115.538 115.538 115.305 0.233 18167 5830 1 7 . 1 1 5 5 SER HA H 23 4.488 4.488 4.545 -0.057 18167 5831 1 7 . 1 1 5 5 SER C C 23 174.841 174.841 174.241 0.600 18167 5832 1 7 . 1 1 5 5 SER CA C 23 58.329 58.329 57.919 0.410 18167 5833 1 7 . 1 1 5 5 SER CB C 23 63.957 63.957 63.742 0.215 18167 5834 1 7 . 1 1 5 5 SER H H 23 8.233 8.233 8.503 -0.270 18167 5835 1 7 . 1 1 6 6 CYS N N 24 120.699 120.699 121.886 -1.187 18167 5836 1 7 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.607 -0.065 18167 5837 1 7 . 1 1 6 6 CYS C C 24 175.079 175.079 175.103 -0.024 18167 5838 1 7 . 1 1 6 6 CYS CA C 24 58.717 58.717 60.077 -1.360 18167 5839 1 7 . 1 1 6 6 CYS CB C 24 27.969 27.969 27.410 0.559 18167 5840 1 7 . 1 1 6 6 CYS H H 24 8.493 8.493 8.322 0.171 18167 5841 1 7 . 1 1 7 7 GLY N N 25 110.895 110.895 111.241 -0.346 18167 5842 1 7 . 1 1 7 7 GLY C C 25 174.402 174.402 173.450 0.952 18167 5843 1 7 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.887 0.591 18167 5844 1 7 . 1 1 7 7 GLY H H 25 8.449 8.449 8.318 0.131 18167 5845 1 7 . 1 1 8 8 GLY N N 26 108.733 108.733 107.004 1.729 18167 5846 1 7 . 1 1 8 8 GLY C C 26 174.113 174.113 173.902 0.211 18167 5847 1 7 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.819 0.361 18167 5848 1 7 . 1 1 8 8 GLY H H 26 8.236 8.236 8.048 0.188 18167 5849 1 7 . 1 1 9 9 VAL N N 27 118.903 118.903 120.584 -1.681 18167 5850 1 7 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.370 -0.246 18167 5851 1 7 . 1 1 9 9 VAL C C 27 176.630 176.630 175.614 1.016 18167 5852 1 7 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.770 0.615 18167 5853 1 7 . 1 1 9 9 VAL CB C 27 32.521 32.521 32.547 -0.026 18167 5854 1 7 . 1 1 9 9 VAL H H 27 8.019 8.019 7.644 0.375 18167 5855 1 7 . 1 1 10 10 GLY N N 28 112.317 112.317 113.767 -1.450 18167 5856 1 7 . 1 1 10 10 GLY C C 28 174.378 174.378 173.467 0.911 18167 5857 1 7 . 1 1 10 10 GLY CA C 28 45.346 45.346 45.054 0.292 18167 5858 1 7 . 1 1 10 10 GLY H H 28 8.483 8.483 8.038 0.445 18167 5859 1 7 . 1 1 11 11 ILE N N 29 119.788 119.788 122.344 -2.556 18167 5860 1 7 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.254 -0.173 18167 5861 1 7 . 1 1 11 11 ILE C C 29 176.168 176.168 175.358 0.810 18167 5862 1 7 . 1 1 11 11 ILE CA C 29 61.412 61.412 61.719 -0.307 18167 5863 1 7 . 1 1 11 11 ILE CB C 29 38.557 38.557 36.701 1.856 18167 5864 1 7 . 1 1 11 11 ILE H H 29 7.948 7.948 8.333 -0.385 18167 5865 1 7 . 1 1 12 12 ALA N N 30 126.009 126.009 128.933 -2.924 18167 5866 1 7 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.501 -0.213 18167 5867 1 7 . 1 1 12 12 ALA C C 30 177.504 177.504 175.462 2.042 18167 5868 1 7 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.654 1.211 18167 5869 1 7 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.521 -1.556 18167 5870 1 7 . 1 1 12 12 ALA H H 30 8.247 8.247 7.730 0.517 18167 5871 1 7 . 1 1 13 13 SER N N 31 113.949 113.949 115.005 -1.056 18167 5872 1 7 . 1 1 13 13 SER HA H 31 4.392 4.392 4.596 -0.204 18167 5873 1 7 . 1 1 13 13 SER C C 31 173.644 173.644 173.087 0.557 18167 5874 1 7 . 1 1 13 13 SER CA C 31 58.329 58.329 57.840 0.488 18167 5875 1 7 . 1 1 13 13 SER CB C 31 63.609 63.609 64.512 -0.903 18167 5876 1 7 . 1 1 13 13 SER H H 31 8.045 8.045 8.318 -0.273 18167 5877 1 7 . 1 1 14 14 LEU N N 32 122.240 122.240 121.576 0.664 18167 5878 1 7 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.246 0.299 18167 5879 1 7 . 1 1 14 14 LEU C C 32 176.001 176.001 175.946 0.055 18167 5880 1 7 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.242 -0.365 18167 5881 1 7 . 1 1 14 14 LEU CB C 32 44.245 44.245 44.631 -0.386 18167 5882 1 7 . 1 1 14 14 LEU H H 32 7.749 7.749 8.241 -0.492 18167 5883 1 7 . 1 1 15 15 GLN N N 33 120.685 120.685 119.974 0.711 18167 5884 1 7 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.482 -0.100 18167 5885 1 7 . 1 1 15 15 GLN C C 33 172.944 172.944 173.921 -0.977 18167 5886 1 7 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.753 -0.292 18167 5887 1 7 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.325 -0.582 18167 5888 1 7 . 1 1 15 15 GLN H H 33 8.780 8.780 7.687 1.093 18167 5889 1 7 . 1 1 16 16 ARG N N 34 120.341 120.341 123.258 -2.917 18167 5890 1 7 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.709 0.195 18167 5891 1 7 . 1 1 16 16 ARG C C 34 175.846 175.846 174.948 0.898 18167 5892 1 7 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.172 0.529 18167 5893 1 7 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.511 0.231 18167 5894 1 7 . 1 1 16 16 ARG H H 34 8.274 8.274 8.464 -0.190 18167 5895 1 7 . 1 1 17 17 TYR N N 35 128.733 128.733 127.941 0.792 18167 5896 1 7 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.681 -0.123 18167 5897 1 7 . 1 1 17 17 TYR C C 35 173.307 173.307 173.055 0.252 18167 5898 1 7 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.569 0.165 18167 5899 1 7 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.566 0.017 18167 5900 1 7 . 1 1 17 17 TYR H H 35 9.104 9.104 8.624 0.480 18167 5901 1 7 . 1 1 18 18 SER N N 36 119.150 119.150 120.117 -0.967 18167 5902 1 7 . 1 1 18 18 SER HA H 36 4.786 4.786 5.031 -0.245 18167 5903 1 7 . 1 1 18 18 SER C C 36 172.002 172.002 172.458 -0.456 18167 5904 1 7 . 1 1 18 18 SER CA C 36 56.341 56.341 56.574 -0.233 18167 5905 1 7 . 1 1 18 18 SER CB C 36 65.327 65.327 66.707 -1.380 18167 5906 1 7 . 1 1 18 18 SER H H 36 7.398 7.398 7.795 -0.397 18167 5907 1 7 . 1 1 19 19 ASP N N 37 124.935 124.935 122.608 2.327 18167 5908 1 7 . 1 1 19 19 ASP HA H 37 4.671 4.671 5.053 -0.382 18167 5909 1 7 . 1 1 19 19 ASP C C 37 176.089 176.089 176.697 -0.608 18167 5910 1 7 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.982 -1.173 18167 5911 1 7 . 1 1 19 19 ASP CB C 37 42.465 42.465 44.721 -2.256 18167 5912 1 7 . 1 1 19 19 ASP H H 37 8.607 8.607 8.427 0.180 18167 5913 1 7 . 1 1 20 20 THR N N 38 117.032 117.032 113.823 3.209 18167 5914 1 7 . 1 1 20 20 THR HA H 38 4.316 4.316 4.004 0.312 18167 5915 1 7 . 1 1 20 20 THR C C 38 175.794 175.794 175.671 0.123 18167 5916 1 7 . 1 1 20 20 THR CA C 38 63.123 63.123 64.115 -0.992 18167 5917 1 7 . 1 1 20 20 THR CB C 38 68.905 68.905 69.338 -0.433 18167 5918 1 7 . 1 1 20 20 THR H H 38 8.470 8.470 8.534 -0.064 18167 5919 1 7 . 1 1 21 21 LYS N N 39 124.893 124.893 120.819 4.074 18167 5920 1 7 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.081 0.108 18167 5921 1 7 . 1 1 21 21 LYS C C 39 177.678 177.678 177.287 0.391 18167 5922 1 7 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.060 -0.266 18167 5923 1 7 . 1 1 21 21 LYS CB C 39 31.668 31.668 31.907 -0.239 18167 5924 1 7 . 1 1 21 21 LYS H H 39 8.201 8.201 8.171 0.030 18167 5925 1 7 . 1 1 22 22 ASP N N 40 118.183 118.183 114.778 3.405 18167 5926 1 7 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.549 0.272 18167 5927 1 7 . 1 1 22 22 ASP C C 40 176.752 176.752 177.139 -0.387 18167 5928 1 7 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.382 0.497 18167 5929 1 7 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.775 1.095 18167 5930 1 7 . 1 1 22 22 ASP H H 40 8.480 8.480 8.259 0.221 18167 5931 1 7 . 1 1 23 23 GLY N N 41 108.978 108.978 107.797 1.181 18167 5932 1 7 . 1 1 23 23 GLY C C 41 172.396 172.396 173.282 -0.886 18167 5933 1 7 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.669 1.447 18167 5934 1 7 . 1 1 23 23 GLY H H 41 7.421 7.421 8.138 -0.717 18167 5935 1 7 . 1 1 24 24 TYR N N 42 112.046 112.046 116.201 -4.155 18167 5936 1 7 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.897 -0.503 18167 5937 1 7 . 1 1 24 24 TYR C C 42 173.028 173.028 172.961 0.067 18167 5938 1 7 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.614 1.218 18167 5939 1 7 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.572 0.282 18167 5940 1 7 . 1 1 24 24 TYR H H 42 7.506 7.506 7.770 -0.264 18167 5941 1 7 . 1 1 25 25 GLU N N 43 117.470 117.470 120.647 -3.177 18167 5942 1 7 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.155 0.313 18167 5943 1 7 . 1 1 25 25 GLU C C 43 173.311 173.311 174.410 -1.099 18167 5944 1 7 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.054 -0.823 18167 5945 1 7 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.047 -0.422 18167 5946 1 7 . 1 1 25 25 GLU H H 43 8.934 8.934 8.899 0.035 18167 5947 1 7 . 1 1 26 26 PHE N N 44 112.795 112.795 116.598 -3.803 18167 5948 1 7 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.196 -0.354 18167 5949 1 7 . 1 1 26 26 PHE C C 44 172.776 172.776 172.777 -0.001 18167 5950 1 7 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.737 -0.121 18167 5951 1 7 . 1 1 26 26 PHE CB C 44 40.449 40.449 42.242 -1.793 18167 5952 1 7 . 1 1 26 26 PHE H H 44 8.532 8.532 8.588 -0.056 18167 5953 1 7 . 1 1 27 27 LEU N N 45 119.784 119.784 123.351 -3.567 18167 5954 1 7 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.926 0.594 18167 5955 1 7 . 1 1 27 27 LEU C C 45 174.965 174.965 175.562 -0.597 18167 5956 1 7 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.980 -1.206 18167 5957 1 7 . 1 1 27 27 LEU CB C 45 44.650 44.650 44.271 0.379 18167 5958 1 7 . 1 1 27 27 LEU H H 45 9.241 9.241 8.804 0.437 18167 5959 1 7 . 1 1 28 28 TYR N N 46 113.008 113.008 122.396 -9.388 18167 5960 1 7 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.926 -0.013 18167 5961 1 7 . 1 1 28 28 TYR C C 46 171.354 171.354 172.180 -0.826 18167 5962 1 7 . 1 1 28 28 TYR CA C 46 54.757 54.757 53.833 0.924 18167 5963 1 7 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.501 -0.354 18167 5964 1 7 . 1 1 28 28 TYR H H 46 8.951 8.951 8.478 0.473 18167 5965 1 7 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.934 0.073 18167 5966 1 7 . 1 1 29 29 PRO C C 47 176.165 176.165 175.925 0.240 18167 5967 1 7 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.918 0.400 18167 5968 1 7 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.074 -0.734 18167 5969 1 7 . 1 1 30 30 ASN N N 48 119.923 119.923 119.903 0.020 18167 5970 1 7 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.308 -0.045 18167 5971 1 7 . 1 1 30 30 ASN C C 48 176.347 176.347 176.398 -0.051 18167 5972 1 7 . 1 1 30 30 ASN CA C 48 55.201 55.201 52.945 2.256 18167 5973 1 7 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.066 0.522 18167 5974 1 7 . 1 1 30 30 ASN H H 48 8.163 8.163 7.844 0.319 18167 5975 1 7 . 1 1 31 31 GLY N N 49 111.442 111.442 106.548 4.894 18167 5976 1 7 . 1 1 31 31 GLY C C 49 174.985 174.985 174.439 0.546 18167 5977 1 7 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.306 0.086 18167 5978 1 7 . 1 1 31 31 GLY H H 49 8.702 8.702 8.686 0.016 18167 5979 1 7 . 1 1 32 32 TRP N N 50 122.100 122.100 120.419 1.681 18167 5980 1 7 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.280 0.062 18167 5981 1 7 . 1 1 32 32 TRP C C 50 176.370 176.370 177.447 -1.077 18167 5982 1 7 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.345 0.948 18167 5983 1 7 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.201 -0.097 18167 5984 1 7 . 1 1 32 32 TRP H H 50 8.008 8.008 7.699 0.308 18167 5985 1 7 . 1 1 33 33 ILE N N 51 117.163 117.163 117.413 -0.250 18167 5986 1 7 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.900 0.055 18167 5987 1 7 . 1 1 33 33 ILE C C 51 175.549 175.549 174.666 0.883 18167 5988 1 7 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.635 -0.407 18167 5989 1 7 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.065 1.024 18167 5990 1 7 . 1 1 33 33 ILE H H 51 9.249 9.249 8.362 0.887 18167 5991 1 7 . 1 1 34 34 GLY N N 52 111.812 111.812 111.033 0.779 18167 5992 1 7 . 1 1 34 34 GLY C C 52 173.956 173.956 173.820 0.136 18167 5993 1 7 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.097 1.307 18167 5994 1 7 . 1 1 34 34 GLY H H 52 8.787 8.787 8.425 0.362 18167 5995 1 7 . 1 1 35 35 VAL N N 53 122.174 122.174 124.157 -1.983 18167 5996 1 7 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.158 -0.014 18167 5997 1 7 . 1 1 35 35 VAL C C 53 174.921 174.921 175.076 -0.155 18167 5998 1 7 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.087 -0.430 18167 5999 1 7 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.218 -0.178 18167 6000 1 7 . 1 1 35 35 VAL H H 53 7.763 7.763 8.733 -0.970 18167 6001 1 7 . 1 1 36 36 ASP N N 54 125.424 125.424 126.496 -1.072 18167 6002 1 7 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.624 -0.035 18167 6003 1 7 . 1 1 36 36 ASP C C 54 176.890 176.890 176.083 0.807 18167 6004 1 7 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.359 0.090 18167 6005 1 7 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.439 -0.266 18167 6006 1 7 . 1 1 36 36 ASP H H 54 8.425 8.425 8.596 -0.171 18167 6007 1 7 . 1 1 37 37 VAL N N 55 120.335 120.335 120.356 -0.021 18167 6008 1 7 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.491 -0.323 18167 6009 1 7 . 1 1 37 37 VAL C C 55 176.785 176.785 175.044 1.741 18167 6010 1 7 . 1 1 37 37 VAL CA C 55 61.919 61.919 60.693 1.226 18167 6011 1 7 . 1 1 37 37 VAL CB C 55 31.790 31.790 31.851 -0.061 18167 6012 1 7 . 1 1 37 37 VAL H H 55 8.215 8.215 8.459 -0.244 18167 6013 1 7 . 1 1 38 38 LYS N N 56 124.881 124.881 123.831 1.050 18167 6014 1 7 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.246 -0.044 18167 6015 1 7 . 1 1 38 38 LYS C C 56 177.828 177.828 177.757 0.071 18167 6016 1 7 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.507 0.496 18167 6017 1 7 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.447 -0.810 18167 6018 1 7 . 1 1 38 38 LYS H H 56 8.331 8.331 7.943 0.388 18167 6019 1 7 . 1 1 39 39 GLY N N 57 111.152 111.152 111.660 -0.508 18167 6020 1 7 . 1 1 39 39 GLY C C 57 174.253 174.253 174.161 0.092 18167 6021 1 7 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.662 0.698 18167 6022 1 7 . 1 1 39 39 GLY H H 57 8.651 8.651 8.890 -0.239 18167 6023 1 7 . 1 1 40 40 ALA N N 58 123.085 123.085 122.767 0.318 18167 6024 1 7 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.435 -0.052 18167 6025 1 7 . 1 1 40 40 ALA C C 58 177.125 177.125 177.092 0.033 18167 6026 1 7 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.473 0.881 18167 6027 1 7 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.578 0.039 18167 6028 1 7 . 1 1 40 40 ALA H H 58 7.839 7.839 7.543 0.296 18167 6029 1 7 . 1 1 41 41 SER N N 59 115.088 115.088 115.393 -0.305 18167 6030 1 7 . 1 1 41 41 SER HA H 59 4.688 4.688 4.360 0.328 18167 6031 1 7 . 1 1 41 41 SER C C 59 171.885 171.885 173.230 -1.345 18167 6032 1 7 . 1 1 41 41 SER CA C 59 56.951 56.951 58.363 -1.412 18167 6033 1 7 . 1 1 41 41 SER CB C 59 63.123 63.123 62.851 0.272 18167 6034 1 7 . 1 1 41 41 SER H H 59 8.186 8.186 8.245 -0.059 18167 6035 1 7 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.372 -0.023 18167 6036 1 7 . 1 1 42 42 PRO C C 60 177.660 177.660 177.354 0.306 18167 6037 1 7 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.792 0.433 18167 6038 1 7 . 1 1 42 42 PRO CB C 60 31.541 31.541 32.085 -0.544 18167 6039 1 7 . 1 1 43 43 GLY N N 61 111.997 111.997 111.584 0.413 18167 6040 1 7 . 1 1 43 43 GLY C C 61 174.070 174.070 174.123 -0.053 18167 6041 1 7 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.996 0.618 18167 6042 1 7 . 1 1 43 43 GLY H H 61 8.730 8.730 8.437 0.293 18167 6043 1 7 . 1 1 44 44 VAL N N 62 120.539 120.539 122.155 -1.616 18167 6044 1 7 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.832 0.445 18167 6045 1 7 . 1 1 44 44 VAL C C 62 175.277 175.277 175.084 0.193 18167 6046 1 7 . 1 1 44 44 VAL CA C 62 62.927 62.927 63.879 -0.952 18167 6047 1 7 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.049 0.506 18167 6048 1 7 . 1 1 44 44 VAL H H 62 7.573 7.573 7.364 0.209 18167 6049 1 7 . 1 1 45 45 ASP N N 63 128.619 128.619 126.945 1.674 18167 6050 1 7 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.880 0.027 18167 6051 1 7 . 1 1 45 45 ASP C C 63 176.177 176.177 175.536 0.641 18167 6052 1 7 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.352 0.503 18167 6053 1 7 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.609 0.666 18167 6054 1 7 . 1 1 45 45 ASP H H 63 9.084 9.084 8.105 0.979 18167 6055 1 7 . 1 1 46 46 VAL N N 64 115.687 115.687 117.620 -1.933 18167 6056 1 7 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.237 0.074 18167 6057 1 7 . 1 1 46 46 VAL C C 64 172.853 172.853 173.687 -0.834 18167 6058 1 7 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.946 0.225 18167 6059 1 7 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.678 0.230 18167 6060 1 7 . 1 1 46 46 VAL H H 64 7.314 7.314 7.288 0.026 18167 6061 1 7 . 1 1 47 47 VAL N N 65 124.933 124.933 123.939 0.994 18167 6062 1 7 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.250 0.806 18167 6063 1 7 . 1 1 47 47 VAL C C 65 175.266 175.266 174.108 1.158 18167 6064 1 7 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.239 -0.157 18167 6065 1 7 . 1 1 47 47 VAL CB C 65 36.667 36.667 33.657 3.010 18167 6066 1 7 . 1 1 47 47 VAL H H 65 8.146 8.146 7.913 0.233 18167 6067 1 7 . 1 1 48 48 PHE N N 66 122.916 122.916 126.738 -3.822 18167 6068 1 7 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.412 0.079 18167 6069 1 7 . 1 1 48 48 PHE C C 66 174.371 174.371 174.957 -0.586 18167 6070 1 7 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.294 0.235 18167 6071 1 7 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.403 1.756 18167 6072 1 7 . 1 1 48 48 PHE H H 66 8.469 8.469 8.873 -0.404 18167 6073 1 7 . 1 1 49 49 ARG N N 67 116.381 116.381 120.535 -4.154 18167 6074 1 7 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.493 0.012 18167 6075 1 7 . 1 1 49 49 ARG C C 67 173.455 173.455 173.636 -0.181 18167 6076 1 7 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.527 -0.693 18167 6077 1 7 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.361 0.537 18167 6078 1 7 . 1 1 49 49 ARG H H 67 9.271 9.271 8.516 0.755 18167 6079 1 7 . 1 1 50 50 ASP N N 68 121.066 121.066 122.218 -1.152 18167 6080 1 7 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.056 -0.005 18167 6081 1 7 . 1 1 50 50 ASP C C 68 176.670 176.670 176.173 0.497 18167 6082 1 7 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.377 2.239 18167 6083 1 7 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.395 1.506 18167 6084 1 7 . 1 1 50 50 ASP H H 68 7.165 7.165 8.025 -0.860 18167 6085 1 7 . 1 1 51 51 LEU N N 69 124.078 124.078 124.980 -0.902 18167 6086 1 7 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.062 -0.037 18167 6087 1 7 . 1 1 51 51 LEU C C 69 177.463 177.463 178.502 -1.039 18167 6088 1 7 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.147 0.261 18167 6089 1 7 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.191 0.958 18167 6090 1 7 . 1 1 51 51 LEU H H 69 8.314 8.314 8.226 0.088 18167 6091 1 7 . 1 1 52 52 ILE N N 70 118.341 118.341 116.533 1.808 18167 6092 1 7 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.905 0.168 18167 6093 1 7 . 1 1 52 52 ILE C C 70 177.093 177.093 176.930 0.163 18167 6094 1 7 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.101 -1.243 18167 6095 1 7 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.627 0.993 18167 6096 1 7 . 1 1 52 52 ILE H H 70 8.178 8.178 7.768 0.410 18167 6097 1 7 . 1 1 53 53 GLU N N 71 122.254 122.254 117.245 5.009 18167 6098 1 7 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.534 -0.150 18167 6099 1 7 . 1 1 53 53 GLU C C 71 176.084 176.084 176.219 -0.135 18167 6100 1 7 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.158 -0.350 18167 6101 1 7 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.095 -1.337 18167 6102 1 7 . 1 1 53 53 GLU H H 71 8.974 8.974 8.386 0.588 18167 6103 1 7 . 1 1 54 54 ARG N N 72 121.414 121.414 123.960 -2.546 18167 6104 1 7 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.000 -0.018 18167 6105 1 7 . 1 1 54 54 ARG C C 72 176.478 176.478 176.661 -0.183 18167 6106 1 7 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.984 -0.744 18167 6107 1 7 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.327 -0.363 18167 6108 1 7 . 1 1 54 54 ARG H H 72 8.052 8.052 8.457 -0.405 18167 6109 1 7 . 1 1 55 55 ASP N N 73 117.425 117.425 119.247 -1.822 18167 6110 1 7 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.412 0.039 18167 6111 1 7 . 1 1 55 55 ASP C C 73 173.783 173.783 176.343 -2.560 18167 6112 1 7 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.397 -1.323 18167 6113 1 7 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.557 0.185 18167 6114 1 7 . 1 1 55 55 ASP H H 73 8.455 8.455 8.475 -0.020 18167 6115 1 7 . 1 1 56 56 GLU N N 74 124.050 124.050 120.222 3.828 18167 6116 1 7 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.524 0.975 18167 6117 1 7 . 1 1 56 56 GLU C C 74 174.110 174.110 175.213 -1.103 18167 6118 1 7 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.551 -0.073 18167 6119 1 7 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.632 1.814 18167 6120 1 7 . 1 1 56 56 GLU H H 74 7.773 7.773 7.448 0.325 18167 6121 1 7 . 1 1 57 57 ASN N N 75 119.794 119.794 124.057 -4.263 18167 6122 1 7 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.901 -0.138 18167 6123 1 7 . 1 1 57 57 ASN C C 75 171.893 171.893 173.031 -1.138 18167 6124 1 7 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.683 0.280 18167 6125 1 7 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.525 -0.156 18167 6126 1 7 . 1 1 57 57 ASN H H 75 8.891 8.891 8.427 0.464 18167 6127 1 7 . 1 1 58 58 LEU N N 76 116.438 116.438 123.725 -7.287 18167 6128 1 7 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.155 0.186 18167 6129 1 7 . 1 1 58 58 LEU C C 76 174.630 174.630 174.344 0.286 18167 6130 1 7 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.743 -0.915 18167 6131 1 7 . 1 1 58 58 LEU CB C 76 45.879 45.879 46.220 -0.341 18167 6132 1 7 . 1 1 58 58 LEU H H 76 9.166 9.166 8.772 0.394 18167 6133 1 7 . 1 1 59 59 SER N N 77 114.543 114.543 119.219 -4.676 18167 6134 1 7 . 1 1 59 59 SER HA H 77 5.432 5.432 4.854 0.578 18167 6135 1 7 . 1 1 59 59 SER C C 77 172.602 172.602 172.444 0.158 18167 6136 1 7 . 1 1 59 59 SER CA C 77 56.593 56.593 56.794 -0.201 18167 6137 1 7 . 1 1 59 59 SER CB C 77 66.720 66.720 65.670 1.050 18167 6138 1 7 . 1 1 59 59 SER H H 77 8.352 8.352 9.101 -0.749 18167 6139 1 7 . 1 1 60 60 VAL N N 78 122.017 122.017 126.585 -4.568 18167 6140 1 7 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.317 0.652 18167 6141 1 7 . 1 1 60 60 VAL C C 78 174.861 174.861 174.548 0.313 18167 6142 1 7 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.083 0.101 18167 6143 1 7 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.365 -0.053 18167 6144 1 7 . 1 1 60 60 VAL H H 78 8.306 8.306 8.140 0.166 18167 6145 1 7 . 1 1 61 61 ILE N N 79 128.458 128.458 127.553 0.905 18167 6146 1 7 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.672 0.049 18167 6147 1 7 . 1 1 61 61 ILE C C 79 175.639 175.639 174.292 1.347 18167 6148 1 7 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.260 -0.016 18167 6149 1 7 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.322 0.964 18167 6150 1 7 . 1 1 61 61 ILE H H 79 9.193 9.193 7.778 1.415 18167 6151 1 7 . 1 1 62 62 ILE N N 80 129.957 129.957 127.391 2.566 18167 6152 1 7 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.939 0.103 18167 6153 1 7 . 1 1 62 62 ILE C C 80 175.727 175.727 175.151 0.576 18167 6154 1 7 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.127 2.031 18167 6155 1 7 . 1 1 62 62 ILE CB C 80 39.777 39.777 38.829 0.948 18167 6156 1 7 . 1 1 62 62 ILE H H 80 9.140 9.140 8.969 0.171 18167 6157 1 7 . 1 1 63 63 SER N N 81 122.084 122.084 120.559 1.525 18167 6158 1 7 . 1 1 63 63 SER HA H 81 4.878 4.878 4.710 0.168 18167 6159 1 7 . 1 1 63 63 SER C C 81 172.933 172.933 172.361 0.572 18167 6160 1 7 . 1 1 63 63 SER CA C 81 56.689 56.689 57.379 -0.690 18167 6161 1 7 . 1 1 63 63 SER CB C 81 65.862 65.862 66.622 -0.760 18167 6162 1 7 . 1 1 63 63 SER H H 81 9.079 9.079 9.063 0.016 18167 6163 1 7 . 1 1 64 64 GLU N N 82 121.983 121.983 121.279 0.704 18167 6164 1 7 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.767 -0.175 18167 6165 1 7 . 1 1 64 64 GLU C C 82 176.501 176.501 176.454 0.047 18167 6166 1 7 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.879 1.962 18167 6167 1 7 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.090 -0.580 18167 6168 1 7 . 1 1 64 64 GLU H H 82 8.664 8.664 8.472 0.192 18167 6169 1 7 . 1 1 65 65 ILE N N 83 121.194 121.194 120.721 0.473 18167 6170 1 7 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.610 -0.033 18167 6171 1 7 . 1 1 65 65 ILE C C 83 173.233 173.233 174.238 -1.005 18167 6172 1 7 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.179 0.619 18167 6173 1 7 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.648 1.840 18167 6174 1 7 . 1 1 65 65 ILE H H 83 8.271 8.271 8.020 0.251 18167 6175 1 7 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.459 -0.008 18167 6176 1 7 . 1 1 66 66 PRO C C 84 177.697 177.697 176.934 0.763 18167 6177 1 7 . 1 1 66 66 PRO CA C 84 63.197 63.197 63.122 0.075 18167 6178 1 7 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.444 -0.379 18167 6179 1 7 . 1 1 67 67 SER N N 85 116.018 116.018 118.068 -2.050 18167 6180 1 7 . 1 1 67 67 SER HA H 85 4.149 4.149 4.177 -0.028 18167 6181 1 7 . 1 1 67 67 SER C C 85 174.387 174.387 174.667 -0.280 18167 6182 1 7 . 1 1 67 67 SER CA C 85 60.348 60.348 60.517 -0.168 18167 6183 1 7 . 1 1 67 67 SER CB C 85 63.402 63.402 63.404 -0.002 18167 6184 1 7 . 1 1 67 67 SER H H 85 8.465 8.465 8.634 -0.169 18167 6185 1 7 . 1 1 68 68 ASP N N 86 118.568 118.568 118.874 -0.306 18167 6186 1 7 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.705 -0.147 18167 6187 1 7 . 1 1 68 68 ASP C C 86 175.732 175.732 175.511 0.221 18167 6188 1 7 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.664 -0.854 18167 6189 1 7 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.025 -0.807 18167 6190 1 7 . 1 1 68 68 ASP H H 86 8.531 8.531 8.400 0.131 18167 6191 1 7 . 1 1 69 69 LYS N N 87 119.225 119.225 117.750 1.475 18167 6192 1 7 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.643 0.039 18167 6193 1 7 . 1 1 69 69 LYS C C 87 175.814 175.814 175.106 0.708 18167 6194 1 7 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.065 -0.204 18167 6195 1 7 . 1 1 69 69 LYS CB C 87 33.706 33.706 36.128 -2.422 18167 6196 1 7 . 1 1 69 69 LYS H H 87 7.653 7.653 7.277 0.376 18167 6197 1 7 . 1 1 70 70 THR N N 88 113.175 113.175 113.308 -0.133 18167 6198 1 7 . 1 1 70 70 THR HA H 88 4.529 4.529 4.580 -0.051 18167 6199 1 7 . 1 1 70 70 THR C C 88 175.278 175.278 175.469 -0.191 18167 6200 1 7 . 1 1 70 70 THR CA C 88 60.699 60.699 59.216 1.483 18167 6201 1 7 . 1 1 70 70 THR CB C 88 70.710 70.710 71.458 -0.748 18167 6202 1 7 . 1 1 70 70 THR H H 88 8.608 8.608 8.236 0.372 18167 6203 1 7 . 1 1 71 71 LEU N N 89 121.978 121.978 122.727 -0.749 18167 6204 1 7 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.919 0.018 18167 6205 1 7 . 1 1 71 71 LEU C C 89 177.698 177.698 177.815 -0.117 18167 6206 1 7 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.444 -0.680 18167 6207 1 7 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.809 0.685 18167 6208 1 7 . 1 1 71 71 LEU H H 89 7.998 7.998 8.944 -0.946 18167 6209 1 7 . 1 1 72 72 THR N N 90 106.680 106.680 110.386 -3.706 18167 6210 1 7 . 1 1 72 72 THR HA H 90 4.221 4.221 4.060 0.161 18167 6211 1 7 . 1 1 72 72 THR C C 90 176.248 176.248 175.392 0.856 18167 6212 1 7 . 1 1 72 72 THR CA C 90 63.648 63.648 65.088 -1.440 18167 6213 1 7 . 1 1 72 72 THR CB C 90 68.620 68.620 68.484 0.136 18167 6214 1 7 . 1 1 72 72 THR H H 90 7.798 7.798 7.832 -0.034 18167 6215 1 7 . 1 1 73 73 ASP N N 91 120.626 120.626 119.731 0.895 18167 6216 1 7 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.532 0.078 18167 6217 1 7 . 1 1 73 73 ASP C C 91 177.133 177.133 178.012 -0.879 18167 6218 1 7 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.930 -0.329 18167 6219 1 7 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.638 1.035 18167 6220 1 7 . 1 1 73 73 ASP H H 91 7.805 7.805 8.148 -0.343 18167 6221 1 7 . 1 1 74 74 LEU N N 92 120.238 120.238 119.783 0.455 18167 6222 1 7 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.021 0.200 18167 6223 1 7 . 1 1 74 74 LEU C C 92 176.907 176.907 176.768 0.139 18167 6224 1 7 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.560 -0.917 18167 6225 1 7 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.758 -1.434 18167 6226 1 7 . 1 1 74 74 LEU H H 92 8.182 8.182 8.125 0.057 18167 6227 1 7 . 1 1 75 75 GLY N N 93 105.772 105.772 101.285 4.487 18167 6228 1 7 . 1 1 75 75 GLY C C 93 173.853 173.853 171.831 2.022 18167 6229 1 7 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.764 -0.736 18167 6230 1 7 . 1 1 75 75 GLY H H 93 7.713 7.713 7.330 0.383 18167 6231 1 7 . 1 1 76 76 THR N N 94 111.354 111.354 109.448 1.906 18167 6232 1 7 . 1 1 76 76 THR HA H 94 4.426 4.426 4.803 -0.377 18167 6233 1 7 . 1 1 76 76 THR C C 94 174.396 174.396 176.017 -1.621 18167 6234 1 7 . 1 1 76 76 THR CA C 94 61.220 61.220 60.080 1.140 18167 6235 1 7 . 1 1 76 76 THR CB C 94 71.400 71.400 71.895 -0.495 18167 6236 1 7 . 1 1 76 76 THR H H 94 8.842 8.842 8.171 0.671 18167 6237 1 7 . 1 1 77 77 ALA N N 95 122.586 122.586 123.609 -1.023 18167 6238 1 7 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.883 -0.557 18167 6239 1 7 . 1 1 77 77 ALA C C 95 179.120 179.120 179.502 -0.382 18167 6240 1 7 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.676 -0.052 18167 6241 1 7 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.642 -0.663 18167 6242 1 7 . 1 1 77 77 ALA H H 95 8.861 8.861 8.987 -0.126 18167 6243 1 7 . 1 1 78 78 THR N N 96 110.298 110.298 114.613 -4.315 18167 6244 1 7 . 1 1 78 78 THR HA H 96 3.479 3.479 3.986 -0.507 18167 6245 1 7 . 1 1 78 78 THR C C 96 175.297 175.297 176.631 -1.334 18167 6246 1 7 . 1 1 78 78 THR CA C 96 66.314 66.314 66.746 -0.432 18167 6247 1 7 . 1 1 78 78 THR CB C 96 68.335 68.335 68.487 -0.153 18167 6248 1 7 . 1 1 78 78 THR H H 96 7.757 7.757 7.699 0.058 18167 6249 1 7 . 1 1 79 79 ASP N N 97 122.829 122.829 122.005 0.824 18167 6250 1 7 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.617 -0.205 18167 6251 1 7 . 1 1 79 79 ASP C C 97 179.693 179.693 178.608 1.085 18167 6252 1 7 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.369 0.625 18167 6253 1 7 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.779 -0.248 18167 6254 1 7 . 1 1 79 79 ASP H H 97 7.448 7.448 8.035 -0.587 18167 6255 1 7 . 1 1 80 80 VAL N N 98 121.175 121.175 119.484 1.691 18167 6256 1 7 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.818 -0.336 18167 6257 1 7 . 1 1 80 80 VAL C C 98 178.667 178.667 178.380 0.287 18167 6258 1 7 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.486 0.071 18167 6259 1 7 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.562 -0.054 18167 6260 1 7 . 1 1 80 80 VAL H H 98 8.390 8.390 8.724 -0.334 18167 6261 1 7 . 1 1 81 81 GLY N N 99 108.920 108.920 108.238 0.682 18167 6262 1 7 . 1 1 81 81 GLY C C 99 175.133 175.133 176.157 -1.024 18167 6263 1 7 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.437 1.613 18167 6264 1 7 . 1 1 81 81 GLY H H 99 8.630 8.630 7.874 0.756 18167 6265 1 7 . 1 1 82 82 TYR N N 100 121.598 121.598 122.039 -0.441 18167 6266 1 7 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.294 0.034 18167 6267 1 7 . 1 1 82 82 TYR C C 100 179.383 179.383 178.450 0.933 18167 6268 1 7 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.455 0.284 18167 6269 1 7 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.165 -1.066 18167 6270 1 7 . 1 1 82 82 TYR H H 100 8.880 8.880 7.991 0.889 18167 6271 1 7 . 1 1 83 83 ARG N N 101 121.436 121.436 119.456 1.980 18167 6272 1 7 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.983 0.104 18167 6273 1 7 . 1 1 83 83 ARG C C 101 178.906 178.906 178.758 0.148 18167 6274 1 7 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.777 -0.230 18167 6275 1 7 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.052 -0.429 18167 6276 1 7 . 1 1 83 83 ARG H H 101 8.102 8.102 8.162 -0.060 18167 6277 1 7 . 1 1 84 84 PHE N N 102 121.581 121.581 122.154 -0.573 18167 6278 1 7 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.263 0.124 18167 6279 1 7 . 1 1 84 84 PHE C C 102 177.731 177.731 177.221 0.510 18167 6280 1 7 . 1 1 84 84 PHE CA C 102 60.006 60.006 60.919 -0.913 18167 6281 1 7 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.191 -0.950 18167 6282 1 7 . 1 1 84 84 PHE H H 102 8.511 8.511 8.644 -0.133 18167 6283 1 7 . 1 1 85 85 MET N N 103 117.909 117.909 117.860 0.049 18167 6284 1 7 . 1 1 85 85 MET HA H 103 3.850 3.850 3.810 0.040 18167 6285 1 7 . 1 1 85 85 MET C C 103 178.063 178.063 178.311 -0.248 18167 6286 1 7 . 1 1 85 85 MET CA C 103 57.352 57.352 57.471 -0.119 18167 6287 1 7 . 1 1 85 85 MET CB C 103 33.654 33.654 31.166 2.488 18167 6288 1 7 . 1 1 85 85 MET H H 103 8.350 8.350 7.747 0.603 18167 6289 1 7 . 1 1 86 86 LYS N N 104 118.874 118.874 120.325 -1.451 18167 6290 1 7 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.943 0.061 18167 6291 1 7 . 1 1 86 86 LYS C C 104 177.910 177.910 178.887 -0.977 18167 6292 1 7 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.767 -0.319 18167 6293 1 7 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.378 -0.693 18167 6294 1 7 . 1 1 86 86 LYS H H 104 7.578 7.578 7.855 -0.277 18167 6295 1 7 . 1 1 87 87 THR N N 105 114.567 114.567 116.492 -1.925 18167 6296 1 7 . 1 1 87 87 THR HA H 105 3.949 3.949 3.896 0.053 18167 6297 1 7 . 1 1 87 87 THR C C 105 176.912 176.912 176.661 0.251 18167 6298 1 7 . 1 1 87 87 THR CA C 105 66.108 66.108 66.543 -0.435 18167 6299 1 7 . 1 1 87 87 THR CB C 105 68.909 68.909 68.656 0.253 18167 6300 1 7 . 1 1 87 87 THR H H 105 7.667 7.667 7.761 -0.094 18167 6301 1 7 . 1 1 88 88 VAL N N 106 122.160 122.160 120.623 1.537 18167 6302 1 7 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.429 0.062 18167 6303 1 7 . 1 1 88 88 VAL C C 106 178.950 178.950 177.621 1.329 18167 6304 1 7 . 1 1 88 88 VAL CA C 106 65.824 65.824 66.019 -0.195 18167 6305 1 7 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.513 -0.004 18167 6306 1 7 . 1 1 88 88 VAL H H 106 7.600 7.600 7.528 0.072 18167 6307 1 7 . 1 1 89 89 ASN N N 107 120.741 120.741 119.003 1.738 18167 6308 1 7 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.429 0.061 18167 6309 1 7 . 1 1 89 89 ASN C C 107 178.483 178.483 177.509 0.974 18167 6310 1 7 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.105 0.837 18167 6311 1 7 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.661 0.229 18167 6312 1 7 . 1 1 89 89 ASN H H 107 8.501 8.501 8.298 0.203 18167 6313 1 7 . 1 1 90 90 ASP N N 108 121.211 121.211 120.430 0.781 18167 6314 1 7 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.317 0.163 18167 6315 1 7 . 1 1 90 90 ASP C C 108 177.598 177.598 177.193 0.405 18167 6316 1 7 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.989 -0.622 18167 6317 1 7 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.857 -0.615 18167 6318 1 7 . 1 1 90 90 ASP H H 108 8.824 8.824 8.245 0.579 18167 6319 1 7 . 1 1 91 91 ALA N N 109 121.181 121.181 119.343 1.838 18167 6320 1 7 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.223 0.169 18167 6321 1 7 . 1 1 91 91 ALA C C 109 177.936 177.936 178.647 -0.711 18167 6322 1 7 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.729 -1.037 18167 6323 1 7 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.839 -0.950 18167 6324 1 7 . 1 1 91 91 ALA H H 109 7.507 7.507 7.378 0.129 18167 6325 1 7 . 1 1 92 92 SER N N 110 113.785 113.785 113.255 0.530 18167 6326 1 7 . 1 1 92 92 SER HA H 110 4.537 4.537 4.268 0.269 18167 6327 1 7 . 1 1 92 92 SER C C 110 174.252 174.252 176.137 -1.885 18167 6328 1 7 . 1 1 92 92 SER CA C 110 58.565 58.565 59.346 -0.781 18167 6329 1 7 . 1 1 92 92 SER CB C 110 64.795 64.795 63.518 1.277 18167 6330 1 7 . 1 1 92 92 SER H H 110 7.611 7.611 7.604 0.007 18167 6331 1 7 . 1 1 93 93 GLN N N 111 119.994 119.994 119.440 0.554 18167 6332 1 7 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.114 0.309 18167 6333 1 7 . 1 1 93 93 GLN C C 111 176.441 176.441 177.141 -0.700 18167 6334 1 7 . 1 1 93 93 GLN CA C 111 55.792 55.792 57.235 -1.443 18167 6335 1 7 . 1 1 93 93 GLN CB C 111 28.843 28.843 27.787 1.056 18167 6336 1 7 . 1 1 93 93 GLN H H 111 8.414 8.414 8.396 0.018 18167 6337 1 7 . 1 1 94 94 GLY N N 112 107.948 107.948 109.343 -1.395 18167 6338 1 7 . 1 1 94 94 GLY C C 112 174.406 174.406 174.964 -0.558 18167 6339 1 7 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.411 -0.469 18167 6340 1 7 . 1 1 94 94 GLY H H 112 8.467 8.467 8.242 0.225 18167 6341 1 7 . 1 1 95 95 ASP N N 113 119.500 119.500 120.241 -0.741 18167 6342 1 7 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.860 -0.304 18167 6343 1 7 . 1 1 95 95 ASP C C 113 175.438 175.438 176.225 -0.787 18167 6344 1 7 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.594 0.086 18167 6345 1 7 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.082 -1.888 18167 6346 1 7 . 1 1 95 95 ASP H H 113 8.423 8.423 8.120 0.303 18167 6347 1 7 . 1 1 96 96 ARG N N 114 118.992 118.992 120.374 -1.382 18167 6348 1 7 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.563 0.498 18167 6349 1 7 . 1 1 96 96 ARG C C 114 175.699 175.699 174.845 0.854 18167 6350 1 7 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.094 -1.051 18167 6351 1 7 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.192 1.448 18167 6352 1 7 . 1 1 96 96 ARG H H 114 7.507 7.507 7.784 -0.277 18167 6353 1 7 . 1 1 97 97 GLN N N 115 121.149 121.149 120.885 0.264 18167 6354 1 7 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.704 -0.035 18167 6355 1 7 . 1 1 97 97 GLN C C 115 173.696 173.696 174.355 -0.659 18167 6356 1 7 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.386 0.171 18167 6357 1 7 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.265 -1.192 18167 6358 1 7 . 1 1 97 97 GLN H H 115 8.814 8.814 8.058 0.756 18167 6359 1 7 . 1 1 98 98 ALA N N 116 129.789 129.789 125.515 4.274 18167 6360 1 7 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.104 0.212 18167 6361 1 7 . 1 1 98 98 ALA C C 116 176.503 176.503 176.499 0.004 18167 6362 1 7 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.605 0.209 18167 6363 1 7 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.249 0.793 18167 6364 1 7 . 1 1 98 98 ALA H H 116 9.836 9.836 8.501 1.335 18167 6365 1 7 . 1 1 99 99 GLU N N 117 122.780 122.780 123.991 -1.211 18167 6366 1 7 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.636 -0.033 18167 6367 1 7 . 1 1 99 99 GLU C C 117 174.361 174.361 174.960 -0.599 18167 6368 1 7 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.542 -0.222 18167 6369 1 7 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.830 0.482 18167 6370 1 7 . 1 1 99 99 GLU H H 117 9.252 9.252 8.584 0.668 18167 6371 1 7 . 1 1 100 100 LEU N N 118 127.043 127.043 128.480 -1.437 18167 6372 1 7 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.445 -0.138 18167 6373 1 7 . 1 1 100 100 LEU C C 118 176.338 176.338 176.316 0.022 18167 6374 1 7 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.849 0.673 18167 6375 1 7 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.067 0.574 18167 6376 1 7 . 1 1 100 100 LEU H H 118 8.765 8.765 8.740 0.025 18167 6377 1 7 . 1 1 101 101 ILE N N 119 128.101 128.101 128.660 -0.559 18167 6378 1 7 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.837 0.259 18167 6379 1 7 . 1 1 101 101 ILE C C 119 175.634 175.634 176.170 -0.536 18167 6380 1 7 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.644 -1.241 18167 6381 1 7 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.558 0.500 18167 6382 1 7 . 1 1 101 101 ILE H H 119 9.244 9.244 8.863 0.381 18167 6383 1 7 . 1 1 102 102 ASN N N 120 114.715 114.715 114.379 0.336 18167 6384 1 7 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.781 0.174 18167 6385 1 7 . 1 1 102 102 ASN C C 120 172.326 172.326 172.940 -0.614 18167 6386 1 7 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.204 1.169 18167 6387 1 7 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.317 2.570 18167 6388 1 7 . 1 1 102 102 ASN H H 120 7.989 7.989 8.029 -0.040 18167 6389 1 7 . 1 1 103 103 ALA N N 121 125.011 125.011 120.645 4.366 18167 6390 1 7 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.027 0.430 18167 6391 1 7 . 1 1 103 103 ALA C C 121 175.068 175.068 175.749 -0.681 18167 6392 1 7 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.942 -0.583 18167 6393 1 7 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.108 1.301 18167 6394 1 7 . 1 1 103 103 ALA H H 121 8.182 8.182 8.440 -0.258 18167 6395 1 7 . 1 1 104 104 GLU N N 122 121.148 121.148 120.244 0.904 18167 6396 1 7 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.576 0.119 18167 6397 1 7 . 1 1 104 104 GLU C C 122 173.666 173.666 174.202 -0.536 18167 6398 1 7 . 1 1 104 104 GLU CA C 122 55.093 55.093 55.235 -0.142 18167 6399 1 7 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.465 0.044 18167 6400 1 7 . 1 1 104 104 GLU H H 122 8.817 8.817 8.350 0.467 18167 6401 1 7 . 1 1 105 105 ALA N N 123 124.441 124.441 123.518 0.923 18167 6402 1 7 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.407 0.120 18167 6403 1 7 . 1 1 105 105 ALA C C 123 176.479 176.479 176.583 -0.104 18167 6404 1 7 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.912 0.219 18167 6405 1 7 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.820 1.031 18167 6406 1 7 . 1 1 105 105 ALA H H 123 8.860 8.860 8.317 0.543 18167 6407 1 7 . 1 1 106 106 ARG N N 124 120.892 120.892 120.394 0.498 18167 6408 1 7 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.734 0.089 18167 6409 1 7 . 1 1 106 106 ARG C C 124 172.820 172.820 174.409 -1.589 18167 6410 1 7 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.169 -0.397 18167 6411 1 7 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.043 -0.773 18167 6412 1 7 . 1 1 106 106 ARG H H 124 9.209 9.209 9.020 0.189 18167 6413 1 7 . 1 1 107 107 ASP N N 125 122.706 122.706 123.257 -0.551 18167 6414 1 7 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.720 -0.481 18167 6415 1 7 . 1 1 107 107 ASP C C 125 176.097 176.097 175.543 0.554 18167 6416 1 7 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.030 -0.086 18167 6417 1 7 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.255 0.883 18167 6418 1 7 . 1 1 107 107 ASP H H 125 8.633 8.633 8.692 -0.059 18167 6419 1 7 . 1 1 108 108 GLU N N 126 126.120 126.120 125.256 0.864 18167 6420 1 7 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.672 0.033 18167 6421 1 7 . 1 1 108 108 GLU C C 126 175.768 175.768 176.085 -0.317 18167 6422 1 7 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.512 -0.495 18167 6423 1 7 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.697 -3.272 18167 6424 1 7 . 1 1 108 108 GLU H H 126 9.152 9.152 9.262 -0.110 18167 6425 1 7 . 1 1 109 109 ASP N N 127 126.277 126.277 123.589 2.688 18167 6426 1 7 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.388 -0.034 18167 6427 1 7 . 1 1 109 109 ASP C C 127 175.414 175.414 176.553 -1.139 18167 6428 1 7 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.969 0.421 18167 6429 1 7 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.047 0.195 18167 6430 1 7 . 1 1 109 109 ASP H H 127 9.067 9.067 9.192 -0.125 18167 6431 1 7 . 1 1 110 110 GLY N N 128 106.859 106.859 103.683 3.176 18167 6432 1 7 . 1 1 110 110 GLY C C 128 173.761 173.761 174.399 -0.638 18167 6433 1 7 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.244 -0.002 18167 6434 1 7 . 1 1 110 110 GLY H H 128 9.008 9.008 8.733 0.275 18167 6435 1 7 . 1 1 111 111 GLN N N 129 123.033 123.033 119.990 3.043 18167 6436 1 7 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.580 -0.197 18167 6437 1 7 . 1 1 111 111 GLN C C 129 173.901 173.901 174.431 -0.530 18167 6438 1 7 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.356 -0.420 18167 6439 1 7 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.883 -1.700 18167 6440 1 7 . 1 1 111 111 GLN H H 129 7.825 7.825 8.297 -0.472 18167 6441 1 7 . 1 1 112 112 VAL N N 130 128.263 128.263 121.714 6.549 18167 6442 1 7 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.842 0.030 18167 6443 1 7 . 1 1 112 112 VAL C C 130 175.591 175.591 174.841 0.750 18167 6444 1 7 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.097 1.006 18167 6445 1 7 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.038 -0.665 18167 6446 1 7 . 1 1 112 112 VAL H H 130 8.330 8.330 8.264 0.066 18167 6447 1 7 . 1 1 113 113 TYR N N 131 126.702 126.702 124.937 1.765 18167 6448 1 7 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.902 0.148 18167 6449 1 7 . 1 1 113 113 TYR C C 131 175.477 175.477 175.041 0.436 18167 6450 1 7 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.130 0.293 18167 6451 1 7 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.394 1.095 18167 6452 1 7 . 1 1 113 113 TYR H H 131 9.136 9.136 9.386 -0.250 18167 6453 1 7 . 1 1 114 114 TYR N N 132 121.626 121.626 124.453 -2.827 18167 6454 1 7 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.144 0.686 18167 6455 1 7 . 1 1 114 114 TYR C C 132 175.368 175.368 175.485 -0.117 18167 6456 1 7 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.803 -1.735 18167 6457 1 7 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.593 -1.276 18167 6458 1 7 . 1 1 114 114 TYR H H 132 9.577 9.577 9.555 0.022 18167 6459 1 7 . 1 1 115 115 THR N N 133 120.018 120.018 120.731 -0.713 18167 6460 1 7 . 1 1 115 115 THR HA H 133 5.486 5.486 4.630 0.856 18167 6461 1 7 . 1 1 115 115 THR C C 133 174.327 174.327 172.880 1.447 18167 6462 1 7 . 1 1 115 115 THR CA C 133 61.648 61.648 62.033 -0.385 18167 6463 1 7 . 1 1 115 115 THR CB C 133 69.622 69.622 70.235 -0.613 18167 6464 1 7 . 1 1 115 115 THR H H 133 9.351 9.351 9.344 0.007 18167 6465 1 7 . 1 1 116 116 LEU N N 134 127.249 127.249 127.827 -0.578 18167 6466 1 7 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.793 0.502 18167 6467 1 7 . 1 1 116 116 LEU C C 134 174.347 174.347 174.412 -0.065 18167 6468 1 7 . 1 1 116 116 LEU CA C 134 52.628 52.628 53.899 -1.271 18167 6469 1 7 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.779 -0.244 18167 6470 1 7 . 1 1 116 116 LEU H H 134 10.010 10.010 8.900 1.110 18167 6471 1 7 . 1 1 117 117 GLU N N 135 124.969 124.969 127.486 -2.517 18167 6472 1 7 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.727 0.851 18167 6473 1 7 . 1 1 117 117 GLU C C 135 175.635 175.635 174.982 0.653 18167 6474 1 7 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.917 -0.778 18167 6475 1 7 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.222 -0.060 18167 6476 1 7 . 1 1 117 117 GLU H H 135 9.109 9.109 8.398 0.711 18167 6477 1 7 . 1 1 118 118 TYR N N 136 125.868 125.868 123.253 2.615 18167 6478 1 7 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.556 -0.281 18167 6479 1 7 . 1 1 118 118 TYR C C 136 170.317 170.317 172.681 -2.364 18167 6480 1 7 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.866 0.145 18167 6481 1 7 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.176 0.340 18167 6482 1 7 . 1 1 118 118 TYR H H 136 8.973 8.973 8.646 0.327 18167 6483 1 7 . 1 1 119 119 ARG N N 137 115.256 115.256 116.709 -1.453 18167 6484 1 7 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.379 0.698 18167 6485 1 7 . 1 1 119 119 ARG C C 137 173.643 173.643 174.042 -0.399 18167 6486 1 7 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.331 -1.208 18167 6487 1 7 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.213 -1.028 18167 6488 1 7 . 1 1 119 119 ARG H H 137 8.920 8.920 8.768 0.152 18167 6489 1 7 . 1 1 120 120 VAL N N 138 119.767 119.767 120.496 -0.729 18167 6490 1 7 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.799 -0.013 18167 6491 1 7 . 1 1 120 120 VAL C C 138 174.355 174.355 174.698 -0.343 18167 6492 1 7 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.196 0.587 18167 6493 1 7 . 1 1 120 120 VAL CB C 138 34.162 34.162 34.022 0.140 18167 6494 1 7 . 1 1 120 120 VAL H H 138 8.430 8.430 8.511 -0.081 18167 6495 1 7 . 1 1 121 121 LEU N N 139 129.915 129.915 125.772 4.143 18167 6496 1 7 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.155 -0.070 18167 6497 1 7 . 1 1 121 121 LEU C C 139 176.376 176.376 174.785 1.591 18167 6498 1 7 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.172 0.487 18167 6499 1 7 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.389 -1.268 18167 6500 1 7 . 1 1 121 121 LEU H H 139 9.333 9.333 8.534 0.799 18167 6501 1 7 . 1 1 122 122 VAL N N 140 120.956 120.956 121.687 -0.731 18167 6502 1 7 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.290 0.085 18167 6503 1 7 . 1 1 122 122 VAL C C 140 177.264 177.264 177.388 -0.124 18167 6504 1 7 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.573 0.895 18167 6505 1 7 . 1 1 122 122 VAL CB C 140 32.874 32.874 31.643 1.231 18167 6506 1 7 . 1 1 122 122 VAL H H 140 8.655 8.655 8.315 0.340 18167 6507 1 7 . 1 1 123 123 GLY N N 141 119.059 119.059 118.805 0.254 18167 6508 1 7 . 1 1 123 123 GLY C C 141 174.482 174.482 174.258 0.224 18167 6509 1 7 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.677 0.491 18167 6510 1 7 . 1 1 123 123 GLY H H 141 8.940 8.940 8.580 0.360 18167 6511 1 7 . 1 1 124 124 ASP N N 142 124.652 124.652 125.060 -0.408 18167 6512 1 7 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.736 -0.102 18167 6513 1 7 . 1 1 124 124 ASP C C 142 175.588 175.588 175.275 0.313 18167 6514 1 7 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.695 0.695 18167 6515 1 7 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.905 0.359 18167 6516 1 7 . 1 1 124 124 ASP H H 142 8.722 8.722 8.500 0.222 18167 6517 1 7 . 1 1 125 125 ASN N N 143 118.203 118.203 118.566 -0.363 18167 6518 1 7 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.984 -0.057 18167 6519 1 7 . 1 1 125 125 ASN C C 143 174.095 174.095 173.799 0.296 18167 6520 1 7 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.513 -0.107 18167 6521 1 7 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.610 -0.547 18167 6522 1 7 . 1 1 125 125 ASN H H 143 8.023 8.023 8.244 -0.221 18167 6523 1 7 . 1 1 126 126 VAL N N 144 123.424 123.424 122.098 1.326 18167 6524 1 7 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.902 0.178 18167 6525 1 7 . 1 1 126 126 VAL C C 144 175.767 175.767 175.273 0.494 18167 6526 1 7 . 1 1 126 126 VAL CA C 144 63.309 63.309 64.112 -0.803 18167 6527 1 7 . 1 1 126 126 VAL H H 144 8.857 8.857 8.540 0.317 18167 6528 1 7 . 1 1 127 127 GLU N N 145 130.709 130.709 128.692 2.017 18167 6529 1 7 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.384 0.021 18167 6530 1 7 . 1 1 127 127 GLU C C 145 176.522 176.522 175.936 0.586 18167 6531 1 7 . 1 1 127 127 GLU CA C 145 57.964 57.964 57.722 0.242 18167 6532 1 7 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.150 1.205 18167 6533 1 7 . 1 1 127 127 GLU H H 145 9.487 9.487 9.036 0.451 18167 6534 1 7 . 1 1 128 128 ARG N N 146 113.222 113.222 114.511 -1.289 18167 6535 1 7 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.723 0.338 18167 6536 1 7 . 1 1 128 128 ARG C C 146 172.055 172.055 174.179 -2.124 18167 6537 1 7 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.262 -0.881 18167 6538 1 7 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.786 1.205 18167 6539 1 7 . 1 1 128 128 ARG H H 146 7.657 7.657 7.829 -0.172 18167 6540 1 7 . 1 1 129 129 HIS N N 147 125.158 125.158 117.448 7.710 18167 6541 1 7 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.534 0.098 18167 6542 1 7 . 1 1 129 129 HIS C C 147 172.407 172.407 172.833 -0.426 18167 6543 1 7 . 1 1 129 129 HIS CA C 147 54.196 54.196 56.089 -1.893 18167 6544 1 7 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.744 0.192 18167 6545 1 7 . 1 1 129 129 HIS H H 147 9.295 9.295 8.602 0.693 18167 6546 1 7 . 1 1 130 130 ASP N N 148 122.383 122.383 120.002 2.381 18167 6547 1 7 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.889 1.238 18167 6548 1 7 . 1 1 130 130 ASP C C 148 174.350 174.350 173.144 1.206 18167 6549 1 7 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.899 -0.952 18167 6550 1 7 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.783 -1.815 18167 6551 1 7 . 1 1 130 130 ASP H H 148 8.879 8.879 8.224 0.655 18167 6552 1 7 . 1 1 131 131 LEU N N 149 121.444 121.444 123.881 -2.437 18167 6553 1 7 . 1 1 131 131 LEU HA H 149 5.289 5.289 5.091 0.198 18167 6554 1 7 . 1 1 131 131 LEU C C 149 174.289 174.289 174.048 0.241 18167 6555 1 7 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.386 0.472 18167 6556 1 7 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.654 1.214 18167 6557 1 7 . 1 1 131 131 LEU H H 149 8.916 8.916 8.121 0.795 18167 6558 1 7 . 1 1 132 132 ALA N N 150 128.498 128.498 128.390 0.108 18167 6559 1 7 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.525 0.505 18167 6560 1 7 . 1 1 132 132 ALA C C 150 176.044 176.044 175.479 0.565 18167 6561 1 7 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.441 -1.040 18167 6562 1 7 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.228 -0.405 18167 6563 1 7 . 1 1 132 132 ALA H H 150 9.920 9.920 9.178 0.742 18167 6564 1 7 . 1 1 133 133 SER N N 151 116.937 116.937 118.270 -1.333 18167 6565 1 7 . 1 1 133 133 SER HA H 151 5.812 5.812 5.249 0.563 18167 6566 1 7 . 1 1 133 133 SER C C 151 173.367 173.367 173.617 -0.250 18167 6567 1 7 . 1 1 133 133 SER CA C 151 56.394 56.394 55.935 0.459 18167 6568 1 7 . 1 1 133 133 SER CB C 151 65.448 65.448 64.910 0.537 18167 6569 1 7 . 1 1 133 133 SER H H 151 9.360 9.360 8.226 1.134 18167 6570 1 7 . 1 1 134 134 VAL N N 152 126.011 126.011 128.023 -2.012 18167 6571 1 7 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.856 0.553 18167 6572 1 7 . 1 1 134 134 VAL C C 152 175.735 175.735 174.990 0.745 18167 6573 1 7 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.127 -0.964 18167 6574 1 7 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.233 1.687 18167 6575 1 7 . 1 1 134 134 VAL H H 152 9.558 9.558 9.212 0.346 18167 6576 1 7 . 1 1 135 135 THR N N 153 118.998 118.998 123.003 -4.005 18167 6577 1 7 . 1 1 135 135 THR HA H 153 4.723 4.723 4.859 -0.136 18167 6578 1 7 . 1 1 135 135 THR C C 153 171.746 171.746 173.156 -1.410 18167 6579 1 7 . 1 1 135 135 THR CA C 153 61.221 61.221 61.455 -0.233 18167 6580 1 7 . 1 1 135 135 THR CB C 153 69.300 69.300 72.530 -3.230 18167 6581 1 7 . 1 1 135 135 THR H H 153 8.960 8.960 8.952 0.008 18167 6582 1 7 . 1 1 136 136 THR N N 154 109.883 109.883 115.782 -5.899 18167 6583 1 7 . 1 1 136 136 THR HA H 154 5.636 5.636 5.490 0.146 18167 6584 1 7 . 1 1 136 136 THR C C 154 173.904 173.904 173.523 0.381 18167 6585 1 7 . 1 1 136 136 THR CA C 154 58.391 58.391 59.346 -0.955 18167 6586 1 7 . 1 1 136 136 THR CB C 154 71.387 71.387 70.902 0.485 18167 6587 1 7 . 1 1 136 136 THR H H 154 7.940 7.940 8.370 -0.430 18167 6588 1 7 . 1 1 137 137 ASN N N 155 115.138 115.138 119.293 -4.155 18167 6589 1 7 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.774 0.132 18167 6590 1 7 . 1 1 137 137 ASN C C 155 174.994 174.994 175.317 -0.323 18167 6591 1 7 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.050 1.295 18167 6592 1 7 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.780 1.027 18167 6593 1 7 . 1 1 137 137 ASN H H 155 8.938 8.938 8.502 0.436 18167 6594 1 7 . 1 1 138 138 ARG N N 156 125.040 125.040 126.693 -1.653 18167 6595 1 7 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.897 0.060 18167 6596 1 7 . 1 1 138 138 ARG C C 156 175.870 175.870 175.683 0.187 18167 6597 1 7 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.185 -0.061 18167 6598 1 7 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.969 -1.310 18167 6599 1 7 . 1 1 138 138 ARG H H 156 9.364 9.364 9.081 0.283 18167 6600 1 7 . 1 1 139 139 GLY N N 157 104.408 104.408 102.458 1.950 18167 6601 1 7 . 1 1 139 139 GLY C C 157 173.563 173.563 174.110 -0.547 18167 6602 1 7 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.163 0.658 18167 6603 1 7 . 1 1 139 139 GLY H H 157 8.862 8.862 8.553 0.309 18167 6604 1 7 . 1 1 140 140 LYS N N 158 117.999 117.999 120.996 -2.997 18167 6605 1 7 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.928 0.032 18167 6606 1 7 . 1 1 140 140 LYS C C 158 174.527 174.527 175.531 -1.004 18167 6607 1 7 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.938 -1.216 18167 6608 1 7 . 1 1 140 140 LYS CB C 158 34.864 34.864 34.084 0.780 18167 6609 1 7 . 1 1 140 140 LYS H H 158 7.718 7.718 7.820 -0.102 18167 6610 1 7 . 1 1 141 141 LEU N N 159 124.332 124.332 127.112 -2.780 18167 6611 1 7 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.495 0.135 18167 6612 1 7 . 1 1 141 141 LEU C C 159 175.337 175.337 175.177 0.160 18167 6613 1 7 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.149 0.089 18167 6614 1 7 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.564 0.308 18167 6615 1 7 . 1 1 141 141 LEU H H 159 9.006 9.006 9.114 -0.108 18167 6616 1 7 . 1 1 142 142 ILE N N 160 128.619 128.619 127.874 0.745 18167 6617 1 7 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.420 0.309 18167 6618 1 7 . 1 1 142 142 ILE C C 160 173.414 173.414 174.519 -1.105 18167 6619 1 7 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.626 0.607 18167 6620 1 7 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.760 -0.576 18167 6621 1 7 . 1 1 142 142 ILE H H 160 9.129 9.129 9.155 -0.026 18167 6622 1 7 . 1 1 143 143 THR N N 161 122.266 122.266 122.630 -0.364 18167 6623 1 7 . 1 1 143 143 THR HA H 161 4.797 4.797 5.329 -0.532 18167 6624 1 7 . 1 1 143 143 THR C C 161 171.903 171.903 173.190 -1.287 18167 6625 1 7 . 1 1 143 143 THR CA C 161 61.666 61.666 60.871 0.795 18167 6626 1 7 . 1 1 143 143 THR CB C 161 70.025 70.025 71.616 -1.591 18167 6627 1 7 . 1 1 143 143 THR H H 161 8.818 8.818 8.225 0.593 18167 6628 1 7 . 1 1 144 144 PHE N N 162 130.742 130.742 126.072 4.670 18167 6629 1 7 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.730 0.060 18167 6630 1 7 . 1 1 144 144 PHE C C 162 173.404 173.404 173.606 -0.202 18167 6631 1 7 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.327 -1.107 18167 6632 1 7 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.033 -1.293 18167 6633 1 7 . 1 1 144 144 PHE H H 162 9.219 9.219 8.696 0.523 18167 6634 1 7 . 1 1 145 145 ASP N N 163 127.154 127.154 127.541 -0.387 18167 6635 1 7 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.342 -0.386 18167 6636 1 7 . 1 1 145 145 ASP C C 163 174.933 174.933 174.649 0.284 18167 6637 1 7 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.824 0.586 18167 6638 1 7 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.578 0.746 18167 6639 1 7 . 1 1 145 145 ASP H H 163 8.862 8.862 8.535 0.327 18167 6640 1 7 . 1 1 146 146 LEU N N 164 131.658 131.658 127.755 3.903 18167 6641 1 7 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.831 -0.236 18167 6642 1 7 . 1 1 146 146 LEU C C 164 174.511 174.511 175.290 -0.779 18167 6643 1 7 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.394 -0.423 18167 6644 1 7 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.157 -2.060 18167 6645 1 7 . 1 1 146 146 LEU H H 164 8.938 8.938 8.674 0.264 18167 6646 1 7 . 1 1 147 147 SER N N 165 114.966 114.966 117.912 -2.946 18167 6647 1 7 . 1 1 147 147 SER HA H 165 5.186 5.186 5.115 0.071 18167 6648 1 7 . 1 1 147 147 SER C C 165 173.417 173.417 173.238 0.179 18167 6649 1 7 . 1 1 147 147 SER CA C 165 56.600 56.600 57.204 -0.604 18167 6650 1 7 . 1 1 147 147 SER CB C 165 67.205 67.205 65.010 2.195 18167 6651 1 7 . 1 1 147 147 SER H H 165 8.995 8.995 8.872 0.123 18167 6652 1 7 . 1 1 148 148 THR N N 166 118.620 118.620 122.012 -3.392 18167 6653 1 7 . 1 1 148 148 THR HA H 166 5.144 5.144 4.760 0.384 18167 6654 1 7 . 1 1 148 148 THR C C 166 173.151 173.151 173.488 -0.337 18167 6655 1 7 . 1 1 148 148 THR CA C 166 60.362 60.362 61.784 -1.422 18167 6656 1 7 . 1 1 148 148 THR CB C 166 69.214 69.214 73.043 -3.830 18167 6657 1 7 . 1 1 148 148 THR H H 166 8.614 8.614 7.933 0.681 18167 6658 1 7 . 1 1 149 149 ALA N N 167 124.595 124.595 125.953 -1.358 18167 6659 1 7 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.277 0.328 18167 6660 1 7 . 1 1 149 149 ALA C C 167 179.460 179.460 178.299 1.161 18167 6661 1 7 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.900 -1.343 18167 6662 1 7 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.424 0.834 18167 6663 1 7 . 1 1 149 149 ALA H H 167 8.107 8.107 8.747 -0.640 18167 6664 1 7 . 1 1 150 150 GLU N N 168 123.906 123.906 121.959 1.947 18167 6665 1 7 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.031 0.467 18167 6666 1 7 . 1 1 150 150 GLU C C 168 178.587 178.587 178.062 0.525 18167 6667 1 7 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.392 -0.446 18167 6668 1 7 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.316 -0.609 18167 6669 1 7 . 1 1 150 150 GLU H H 168 8.471 8.471 9.093 -0.622 18167 6670 1 7 . 1 1 151 151 ASP N N 169 114.005 114.005 119.296 -5.291 18167 6671 1 7 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.464 0.019 18167 6672 1 7 . 1 1 151 151 ASP C C 169 177.260 177.260 177.576 -0.316 18167 6673 1 7 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.530 -0.612 18167 6674 1 7 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.189 -0.104 18167 6675 1 7 . 1 1 151 151 ASP H H 169 8.575 8.575 8.900 -0.325 18167 6676 1 7 . 1 1 152 152 ARG N N 170 118.283 118.283 117.005 1.278 18167 6677 1 7 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.667 -0.336 18167 6678 1 7 . 1 1 152 152 ARG C C 170 177.094 177.094 177.356 -0.262 18167 6679 1 7 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.673 0.163 18167 6680 1 7 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.752 1.232 18167 6681 1 7 . 1 1 152 152 ARG H H 170 7.663 7.663 7.548 0.115 18167 6682 1 7 . 1 1 153 153 TRP N N 171 122.336 122.336 123.322 -0.986 18167 6683 1 7 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.455 -0.545 18167 6684 1 7 . 1 1 153 153 TRP C C 171 175.820 175.820 176.347 -0.527 18167 6685 1 7 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.495 -0.619 18167 6686 1 7 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.300 0.108 18167 6687 1 7 . 1 1 153 153 TRP H H 171 7.689 7.689 7.914 -0.225 18167 6688 1 7 . 1 1 154 154 ASP N N 172 114.179 114.179 116.848 -2.669 18167 6689 1 7 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.479 -0.462 18167 6690 1 7 . 1 1 154 154 ASP C C 172 178.442 178.442 179.234 -0.792 18167 6691 1 7 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.153 0.350 18167 6692 1 7 . 1 1 154 154 ASP CB C 172 40.164 40.164 41.045 -0.881 18167 6693 1 7 . 1 1 154 154 ASP H H 172 8.690 8.690 8.364 0.326 18167 6694 1 7 . 1 1 155 155 THR N N 173 114.661 114.661 116.053 -1.392 18167 6695 1 7 . 1 1 155 155 THR HA H 173 3.990 3.990 4.128 -0.138 18167 6696 1 7 . 1 1 155 155 THR C C 173 175.985 175.985 175.742 0.243 18167 6697 1 7 . 1 1 155 155 THR CA C 173 65.585 65.585 65.317 0.268 18167 6698 1 7 . 1 1 155 155 THR CB C 173 69.076 69.076 69.199 -0.123 18167 6699 1 7 . 1 1 155 155 THR H H 173 7.635 7.635 7.770 -0.135 18167 6700 1 7 . 1 1 156 156 VAL N N 174 113.687 113.687 114.638 -0.951 18167 6701 1 7 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.298 -0.021 18167 6702 1 7 . 1 1 156 156 VAL C C 174 176.185 176.185 175.043 1.142 18167 6703 1 7 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.080 1.364 18167 6704 1 7 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.453 2.700 18167 6705 1 7 . 1 1 156 156 VAL H H 174 7.447 7.447 7.826 -0.379 18167 6706 1 7 . 1 1 157 157 LYS N N 175 123.084 123.084 120.774 2.310 18167 6707 1 7 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.526 -0.682 18167 6708 1 7 . 1 1 157 157 LYS C C 175 177.321 177.321 178.024 -0.703 18167 6709 1 7 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.703 0.516 18167 6710 1 7 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.508 -1.312 18167 6711 1 7 . 1 1 157 157 LYS H H 175 7.548 7.548 7.027 0.521 18167 6712 1 7 . 1 1 158 158 SER N N 176 114.046 114.046 115.271 -1.225 18167 6713 1 7 . 1 1 158 158 SER HA H 176 3.820 3.820 4.158 -0.338 18167 6714 1 7 . 1 1 158 158 SER C C 176 176.927 176.927 176.337 0.590 18167 6715 1 7 . 1 1 158 158 SER CA C 176 61.600 61.600 60.075 1.525 18167 6716 1 7 . 1 1 158 158 SER CB C 176 62.048 62.048 62.537 -0.489 18167 6717 1 7 . 1 1 158 158 SER H H 176 8.161 8.161 8.155 0.006 18167 6718 1 7 . 1 1 159 159 LEU N N 177 126.125 126.125 122.298 3.827 18167 6719 1 7 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.738 0.435 18167 6720 1 7 . 1 1 159 159 LEU C C 177 178.403 178.403 178.025 0.378 18167 6721 1 7 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.425 0.277 18167 6722 1 7 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.372 -0.296 18167 6723 1 7 . 1 1 159 159 LEU H H 177 7.587 7.587 6.907 0.680 18167 6724 1 7 . 1 1 160 160 PHE N N 178 119.582 119.582 117.011 2.571 18167 6725 1 7 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.939 0.343 18167 6726 1 7 . 1 1 160 160 PHE C C 178 177.277 177.277 177.776 -0.499 18167 6727 1 7 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.420 -2.710 18167 6728 1 7 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.493 -1.953 18167 6729 1 7 . 1 1 160 160 PHE H H 178 9.067 9.067 6.739 2.328 18167 6730 1 7 . 1 1 161 161 ASP N N 179 120.599 120.599 119.700 0.899 18167 6731 1 7 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.448 -0.108 18167 6732 1 7 . 1 1 161 161 ASP C C 179 179.216 179.216 179.093 0.123 18167 6733 1 7 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.461 0.441 18167 6734 1 7 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.196 0.761 18167 6735 1 7 . 1 1 161 161 ASP H H 179 8.578 8.578 7.698 0.880 18167 6736 1 7 . 1 1 162 162 THR N N 180 118.300 118.300 118.247 0.053 18167 6737 1 7 . 1 1 162 162 THR HA H 180 3.849 3.849 3.900 -0.051 18167 6738 1 7 . 1 1 162 162 THR C C 180 176.875 176.875 176.524 0.351 18167 6739 1 7 . 1 1 162 162 THR CA C 180 66.977 66.977 67.338 -0.361 18167 6740 1 7 . 1 1 162 162 THR CB C 180 68.886 68.886 68.909 -0.023 18167 6741 1 7 . 1 1 162 162 THR H H 180 7.771 7.771 8.319 -0.548 18167 6742 1 7 . 1 1 163 163 VAL N N 181 123.234 123.234 122.275 0.959 18167 6743 1 7 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.582 0.012 18167 6744 1 7 . 1 1 163 163 VAL C C 181 180.016 180.016 177.784 2.232 18167 6745 1 7 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.378 0.378 18167 6746 1 7 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.515 0.197 18167 6747 1 7 . 1 1 163 163 VAL H H 181 8.831 8.831 8.319 0.512 18167 6748 1 7 . 1 1 164 164 ALA N N 182 124.654 124.654 120.408 4.246 18167 6749 1 7 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.548 0.714 18167 6750 1 7 . 1 1 164 164 ALA C C 182 180.510 180.510 179.585 0.925 18167 6751 1 7 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.940 1.519 18167 6752 1 7 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.064 -0.501 18167 6753 1 7 . 1 1 164 164 ALA H H 182 9.662 9.662 7.767 1.895 18167 6754 1 7 . 1 1 165 165 SER N N 183 112.325 112.325 113.611 -1.286 18167 6755 1 7 . 1 1 165 165 SER HA H 183 4.173 4.173 4.425 -0.252 18167 6756 1 7 . 1 1 165 165 SER C C 183 173.817 173.817 176.408 -2.591 18167 6757 1 7 . 1 1 165 165 SER CA C 183 61.155 61.155 60.629 0.526 18167 6758 1 7 . 1 1 165 165 SER CB C 183 63.140 63.140 63.346 -0.206 18167 6759 1 7 . 1 1 165 165 SER H H 183 7.988 7.988 8.188 -0.201 18167 6760 1 7 . 1 1 166 166 SER N N 184 117.332 117.332 116.084 1.248 18167 6761 1 7 . 1 1 166 166 SER HA H 184 4.356 4.356 4.416 -0.060 18167 6762 1 7 . 1 1 166 166 SER C C 184 174.163 174.163 175.722 -1.559 18167 6763 1 7 . 1 1 166 166 SER CA C 184 59.502 59.502 59.801 -0.299 18167 6764 1 7 . 1 1 166 166 SER CB C 184 63.416 63.416 63.492 -0.076 18167 6765 1 7 . 1 1 166 166 SER H H 184 7.766 7.766 8.179 -0.413 18167 6766 1 7 . 1 1 167 167 PHE N N 185 124.827 124.827 121.810 3.017 18167 6767 1 7 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.926 0.237 18167 6768 1 7 . 1 1 167 167 PHE C C 185 174.545 174.545 175.281 -0.736 18167 6769 1 7 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.253 -0.751 18167 6770 1 7 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.966 -1.576 18167 6771 1 7 . 1 1 167 167 PHE H H 185 7.101 7.101 7.704 -0.603 18167 6772 1 7 . 1 1 168 168 HIS N N 186 127.050 127.050 120.672 6.378 18167 6773 1 7 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.583 0.570 18167 6774 1 7 . 1 1 168 168 HIS C C 186 172.836 172.836 173.290 -0.454 18167 6775 1 7 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.955 -0.798 18167 6776 1 7 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.021 -2.018 18167 6777 1 7 . 1 1 168 168 HIS H H 186 8.645 8.645 8.914 -0.269 18167 6778 1 7 . 1 1 169 169 VAL N N 187 114.268 114.268 118.367 -4.099 18167 6779 1 7 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.266 -0.106 18167 6780 1 7 . 1 1 169 169 VAL C C 187 174.449 174.449 174.347 0.102 18167 6781 1 7 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.818 -0.465 18167 6782 1 7 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.699 -1.290 18167 6783 1 7 . 1 1 169 169 VAL H H 187 7.466 7.466 7.396 0.070 18167 6784 1 8 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.940 -0.468 18167 6785 1 8 . 1 1 2 2 PRO C C 20 177.006 177.006 176.638 0.368 18167 6786 1 8 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.044 -0.004 18167 6787 1 8 . 1 1 2 2 PRO CB C 20 32.064 32.064 33.343 -1.280 18167 6788 1 8 . 1 1 3 3 LEU N N 21 122.423 122.423 121.023 1.400 18167 6789 1 8 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.787 -0.446 18167 6790 1 8 . 1 1 3 3 LEU C C 21 177.928 177.928 177.158 0.770 18167 6791 1 8 . 1 1 3 3 LEU CA C 21 55.318 55.318 53.868 1.450 18167 6792 1 8 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.885 0.381 18167 6793 1 8 . 1 1 3 3 LEU H H 21 8.551 8.551 8.168 0.383 18167 6794 1 8 . 1 1 4 4 GLY N N 22 109.759 109.759 108.044 1.715 18167 6795 1 8 . 1 1 4 4 GLY C C 22 174.309 174.309 173.652 0.657 18167 6796 1 8 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.708 0.522 18167 6797 1 8 . 1 1 4 4 GLY H H 22 8.423 8.423 8.268 0.155 18167 6798 1 8 . 1 1 5 5 SER N N 23 115.538 115.538 114.125 1.413 18167 6799 1 8 . 1 1 5 5 SER HA H 23 4.488 4.488 4.585 -0.097 18167 6800 1 8 . 1 1 5 5 SER C C 23 174.841 174.841 175.277 -0.436 18167 6801 1 8 . 1 1 5 5 SER CA C 23 58.329 58.329 57.652 0.677 18167 6802 1 8 . 1 1 5 5 SER CB C 23 63.957 63.957 66.428 -2.471 18167 6803 1 8 . 1 1 5 5 SER H H 23 8.233 8.233 8.365 -0.132 18167 6804 1 8 . 1 1 6 6 CYS N N 24 120.699 120.699 119.347 1.352 18167 6805 1 8 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.387 0.155 18167 6806 1 8 . 1 1 6 6 CYS C C 24 175.079 175.079 175.595 -0.516 18167 6807 1 8 . 1 1 6 6 CYS CA C 24 58.717 58.717 60.014 -1.297 18167 6808 1 8 . 1 1 6 6 CYS CB C 24 27.969 27.969 27.907 0.062 18167 6809 1 8 . 1 1 6 6 CYS H H 24 8.493 8.493 8.560 -0.067 18167 6810 1 8 . 1 1 7 7 GLY N N 25 110.895 110.895 107.017 3.878 18167 6811 1 8 . 1 1 7 7 GLY C C 25 174.402 174.402 173.003 1.399 18167 6812 1 8 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.257 0.221 18167 6813 1 8 . 1 1 7 7 GLY H H 25 8.449 8.449 8.231 0.218 18167 6814 1 8 . 1 1 8 8 GLY N N 26 108.733 108.733 107.227 1.506 18167 6815 1 8 . 1 1 8 8 GLY C C 26 174.113 174.113 173.412 0.701 18167 6816 1 8 . 1 1 8 8 GLY CA C 26 45.180 45.180 45.324 -0.144 18167 6817 1 8 . 1 1 8 8 GLY H H 26 8.236 8.236 8.223 0.013 18167 6818 1 8 . 1 1 9 9 VAL N N 27 118.903 118.903 121.402 -2.499 18167 6819 1 8 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.452 -0.328 18167 6820 1 8 . 1 1 9 9 VAL C C 27 176.630 176.630 176.477 0.153 18167 6821 1 8 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.657 0.728 18167 6822 1 8 . 1 1 9 9 VAL CB C 27 32.521 32.521 34.685 -2.164 18167 6823 1 8 . 1 1 9 9 VAL H H 27 8.019 8.019 8.081 -0.062 18167 6824 1 8 . 1 1 10 10 GLY N N 28 112.317 112.317 114.579 -2.262 18167 6825 1 8 . 1 1 10 10 GLY C C 28 174.378 174.378 174.386 -0.008 18167 6826 1 8 . 1 1 10 10 GLY CA C 28 45.346 45.346 45.057 0.289 18167 6827 1 8 . 1 1 10 10 GLY H H 28 8.483 8.483 8.383 0.100 18167 6828 1 8 . 1 1 11 11 ILE N N 29 119.788 119.788 116.584 3.204 18167 6829 1 8 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.414 -0.333 18167 6830 1 8 . 1 1 11 11 ILE C C 29 176.168 176.168 174.345 1.823 18167 6831 1 8 . 1 1 11 11 ILE CA C 29 61.412 61.412 59.968 1.444 18167 6832 1 8 . 1 1 11 11 ILE CB C 29 38.557 38.557 39.619 -1.062 18167 6833 1 8 . 1 1 11 11 ILE H H 29 7.948 7.948 7.728 0.220 18167 6834 1 8 . 1 1 12 12 ALA N N 30 126.009 126.009 124.695 1.314 18167 6835 1 8 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.578 -0.290 18167 6836 1 8 . 1 1 12 12 ALA C C 30 177.504 177.504 176.877 0.627 18167 6837 1 8 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.007 0.858 18167 6838 1 8 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.024 -1.058 18167 6839 1 8 . 1 1 12 12 ALA H H 30 8.247 8.247 8.367 -0.120 18167 6840 1 8 . 1 1 13 13 SER N N 31 113.949 113.949 114.839 -0.890 18167 6841 1 8 . 1 1 13 13 SER HA H 31 4.392 4.392 4.647 -0.255 18167 6842 1 8 . 1 1 13 13 SER C C 31 173.644 173.644 172.567 1.077 18167 6843 1 8 . 1 1 13 13 SER CA C 31 58.329 58.329 57.877 0.452 18167 6844 1 8 . 1 1 13 13 SER CB C 31 63.609 63.609 65.200 -1.591 18167 6845 1 8 . 1 1 13 13 SER H H 31 8.045 8.045 7.982 0.063 18167 6846 1 8 . 1 1 14 14 LEU N N 32 122.240 122.240 123.567 -1.327 18167 6847 1 8 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.194 0.351 18167 6848 1 8 . 1 1 14 14 LEU C C 32 176.001 176.001 176.355 -0.354 18167 6849 1 8 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.216 -0.339 18167 6850 1 8 . 1 1 14 14 LEU CB C 32 44.245 44.245 42.910 1.335 18167 6851 1 8 . 1 1 14 14 LEU H H 32 7.749 7.749 8.401 -0.652 18167 6852 1 8 . 1 1 15 15 GLN N N 33 120.685 120.685 120.691 -0.006 18167 6853 1 8 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.468 -0.086 18167 6854 1 8 . 1 1 15 15 GLN C C 33 172.944 172.944 173.874 -0.930 18167 6855 1 8 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.755 -0.294 18167 6856 1 8 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.102 -0.360 18167 6857 1 8 . 1 1 15 15 GLN H H 33 8.780 8.780 8.385 0.395 18167 6858 1 8 . 1 1 16 16 ARG N N 34 120.341 120.341 119.678 0.663 18167 6859 1 8 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.836 0.068 18167 6860 1 8 . 1 1 16 16 ARG C C 34 175.846 175.846 174.538 1.308 18167 6861 1 8 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.857 0.844 18167 6862 1 8 . 1 1 16 16 ARG CB C 34 32.742 32.742 33.165 -0.423 18167 6863 1 8 . 1 1 16 16 ARG H H 34 8.274 8.274 8.330 -0.056 18167 6864 1 8 . 1 1 17 17 TYR N N 35 128.733 128.733 123.998 4.735 18167 6865 1 8 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.698 -0.140 18167 6866 1 8 . 1 1 17 17 TYR C C 35 173.307 173.307 173.263 0.044 18167 6867 1 8 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.557 0.176 18167 6868 1 8 . 1 1 17 17 TYR CB C 35 41.583 41.583 42.011 -0.428 18167 6869 1 8 . 1 1 17 17 TYR H H 35 9.104 9.104 8.126 0.978 18167 6870 1 8 . 1 1 18 18 SER N N 36 119.150 119.150 118.951 0.199 18167 6871 1 8 . 1 1 18 18 SER HA H 36 4.786 4.786 4.875 -0.089 18167 6872 1 8 . 1 1 18 18 SER C C 36 172.002 172.002 172.492 -0.490 18167 6873 1 8 . 1 1 18 18 SER CA C 36 56.341 56.341 56.637 -0.296 18167 6874 1 8 . 1 1 18 18 SER CB C 36 65.327 65.327 65.353 -0.026 18167 6875 1 8 . 1 1 18 18 SER H H 36 7.398 7.398 7.706 -0.308 18167 6876 1 8 . 1 1 19 19 ASP N N 37 124.935 124.935 123.246 1.689 18167 6877 1 8 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.951 -0.280 18167 6878 1 8 . 1 1 19 19 ASP C C 37 176.089 176.089 176.720 -0.631 18167 6879 1 8 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.282 -0.473 18167 6880 1 8 . 1 1 19 19 ASP CB C 37 42.465 42.465 44.048 -1.583 18167 6881 1 8 . 1 1 19 19 ASP H H 37 8.607 8.607 8.499 0.108 18167 6882 1 8 . 1 1 20 20 THR N N 38 117.032 117.032 117.330 -0.298 18167 6883 1 8 . 1 1 20 20 THR HA H 38 4.316 4.316 4.059 0.257 18167 6884 1 8 . 1 1 20 20 THR C C 38 175.794 175.794 175.749 0.045 18167 6885 1 8 . 1 1 20 20 THR CA C 38 63.123 63.123 64.647 -1.524 18167 6886 1 8 . 1 1 20 20 THR CB C 38 68.905 68.905 69.052 -0.147 18167 6887 1 8 . 1 1 20 20 THR H H 38 8.470 8.470 8.555 -0.085 18167 6888 1 8 . 1 1 21 21 LYS N N 39 124.893 124.893 121.560 3.333 18167 6889 1 8 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.038 0.151 18167 6890 1 8 . 1 1 21 21 LYS C C 39 177.678 177.678 177.662 0.016 18167 6891 1 8 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.235 -0.440 18167 6892 1 8 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.450 -0.782 18167 6893 1 8 . 1 1 21 21 LYS H H 39 8.201 8.201 7.867 0.334 18167 6894 1 8 . 1 1 22 22 ASP N N 40 118.183 118.183 114.896 3.287 18167 6895 1 8 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.548 0.273 18167 6896 1 8 . 1 1 22 22 ASP C C 40 176.752 176.752 177.135 -0.383 18167 6897 1 8 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.231 0.648 18167 6898 1 8 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.779 1.089 18167 6899 1 8 . 1 1 22 22 ASP H H 40 8.480 8.480 8.501 -0.021 18167 6900 1 8 . 1 1 23 23 GLY N N 41 108.978 108.978 107.592 1.386 18167 6901 1 8 . 1 1 23 23 GLY C C 41 172.396 172.396 173.058 -0.662 18167 6902 1 8 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.614 1.502 18167 6903 1 8 . 1 1 23 23 GLY H H 41 7.421 7.421 8.309 -0.888 18167 6904 1 8 . 1 1 24 24 TYR N N 42 112.046 112.046 116.072 -4.026 18167 6905 1 8 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.870 -0.476 18167 6906 1 8 . 1 1 24 24 TYR C C 42 173.028 173.028 173.005 0.023 18167 6907 1 8 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.249 1.583 18167 6908 1 8 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.391 0.463 18167 6909 1 8 . 1 1 24 24 TYR H H 42 7.506 7.506 7.852 -0.346 18167 6910 1 8 . 1 1 25 25 GLU N N 43 117.470 117.470 120.100 -2.630 18167 6911 1 8 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.101 0.367 18167 6912 1 8 . 1 1 25 25 GLU C C 43 173.311 173.311 174.435 -1.124 18167 6913 1 8 . 1 1 25 25 GLU CA C 43 54.231 54.231 54.952 -0.721 18167 6914 1 8 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.074 -0.449 18167 6915 1 8 . 1 1 25 25 GLU H H 43 8.934 8.934 8.902 0.032 18167 6916 1 8 . 1 1 26 26 PHE N N 44 112.795 112.795 116.474 -3.679 18167 6917 1 8 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.184 -0.342 18167 6918 1 8 . 1 1 26 26 PHE C C 44 172.776 172.776 173.108 -0.332 18167 6919 1 8 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.569 0.047 18167 6920 1 8 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.923 -1.474 18167 6921 1 8 . 1 1 26 26 PHE H H 44 8.532 8.532 8.269 0.263 18167 6922 1 8 . 1 1 27 27 LEU N N 45 119.784 119.784 122.257 -2.473 18167 6923 1 8 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.961 0.559 18167 6924 1 8 . 1 1 27 27 LEU C C 45 174.965 174.965 176.651 -1.686 18167 6925 1 8 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.025 -1.251 18167 6926 1 8 . 1 1 27 27 LEU CB C 45 44.650 44.650 42.380 2.270 18167 6927 1 8 . 1 1 27 27 LEU H H 45 9.241 9.241 8.967 0.274 18167 6928 1 8 . 1 1 28 28 TYR N N 46 113.008 113.008 119.708 -6.700 18167 6929 1 8 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.762 0.151 18167 6930 1 8 . 1 1 28 28 TYR C C 46 171.354 171.354 171.990 -0.636 18167 6931 1 8 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.822 -0.065 18167 6932 1 8 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.660 -0.513 18167 6933 1 8 . 1 1 28 28 TYR H H 46 8.951 8.951 8.743 0.208 18167 6934 1 8 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.145 -0.138 18167 6935 1 8 . 1 1 29 29 PRO C C 47 176.165 176.165 176.160 0.005 18167 6936 1 8 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.264 1.054 18167 6937 1 8 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.683 -1.343 18167 6938 1 8 . 1 1 30 30 ASN N N 48 119.923 119.923 118.874 1.049 18167 6939 1 8 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.330 -0.067 18167 6940 1 8 . 1 1 30 30 ASN C C 48 176.347 176.347 176.432 -0.085 18167 6941 1 8 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.761 1.440 18167 6942 1 8 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.926 0.662 18167 6943 1 8 . 1 1 30 30 ASN H H 48 8.163 8.163 7.698 0.465 18167 6944 1 8 . 1 1 31 31 GLY N N 49 111.442 111.442 106.117 5.325 18167 6945 1 8 . 1 1 31 31 GLY C C 49 174.985 174.985 174.412 0.573 18167 6946 1 8 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.267 0.125 18167 6947 1 8 . 1 1 31 31 GLY H H 49 8.702 8.702 8.667 0.035 18167 6948 1 8 . 1 1 32 32 TRP N N 50 122.100 122.100 121.644 0.456 18167 6949 1 8 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.470 -0.128 18167 6950 1 8 . 1 1 32 32 TRP C C 50 176.370 176.370 177.437 -1.067 18167 6951 1 8 . 1 1 32 32 TRP CA C 50 57.293 57.293 55.964 1.329 18167 6952 1 8 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.075 0.029 18167 6953 1 8 . 1 1 32 32 TRP H H 50 8.008 8.008 7.725 0.283 18167 6954 1 8 . 1 1 33 33 ILE N N 51 117.163 117.163 121.612 -4.449 18167 6955 1 8 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.812 0.143 18167 6956 1 8 . 1 1 33 33 ILE C C 51 175.549 175.549 175.006 0.543 18167 6957 1 8 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.738 -0.510 18167 6958 1 8 . 1 1 33 33 ILE CB C 51 42.089 42.089 39.372 2.717 18167 6959 1 8 . 1 1 33 33 ILE H H 51 9.249 9.249 8.727 0.522 18167 6960 1 8 . 1 1 34 34 GLY N N 52 111.812 111.812 112.904 -1.092 18167 6961 1 8 . 1 1 34 34 GLY C C 52 173.956 173.956 173.829 0.127 18167 6962 1 8 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.943 1.461 18167 6963 1 8 . 1 1 34 34 GLY H H 52 8.787 8.787 8.509 0.278 18167 6964 1 8 . 1 1 35 35 VAL N N 53 122.174 122.174 119.283 2.891 18167 6965 1 8 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.530 -0.386 18167 6966 1 8 . 1 1 35 35 VAL C C 53 174.921 174.921 174.466 0.455 18167 6967 1 8 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.286 0.371 18167 6968 1 8 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.977 -0.937 18167 6969 1 8 . 1 1 35 35 VAL H H 53 7.763 7.763 7.979 -0.216 18167 6970 1 8 . 1 1 36 36 ASP N N 54 125.424 125.424 125.247 0.177 18167 6971 1 8 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.646 -0.057 18167 6972 1 8 . 1 1 36 36 ASP C C 54 176.890 176.890 176.412 0.478 18167 6973 1 8 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.111 0.339 18167 6974 1 8 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.410 -0.237 18167 6975 1 8 . 1 1 36 36 ASP H H 54 8.425 8.425 8.514 -0.089 18167 6976 1 8 . 1 1 37 37 VAL N N 55 120.335 120.335 121.638 -1.303 18167 6977 1 8 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.549 -0.381 18167 6978 1 8 . 1 1 37 37 VAL C C 55 176.785 176.785 174.873 1.912 18167 6979 1 8 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.225 0.694 18167 6980 1 8 . 1 1 37 37 VAL CB C 55 31.790 31.790 31.705 0.085 18167 6981 1 8 . 1 1 37 37 VAL H H 55 8.215 8.215 8.293 -0.078 18167 6982 1 8 . 1 1 38 38 LYS N N 56 124.881 124.881 121.424 3.457 18167 6983 1 8 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.017 0.185 18167 6984 1 8 . 1 1 38 38 LYS C C 56 177.828 177.828 177.818 0.010 18167 6985 1 8 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.755 0.248 18167 6986 1 8 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.209 -0.572 18167 6987 1 8 . 1 1 38 38 LYS H H 56 8.331 8.331 7.703 0.628 18167 6988 1 8 . 1 1 39 39 GLY N N 57 111.152 111.152 112.008 -0.856 18167 6989 1 8 . 1 1 39 39 GLY C C 57 174.253 174.253 173.989 0.264 18167 6990 1 8 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.770 0.590 18167 6991 1 8 . 1 1 39 39 GLY H H 57 8.651 8.651 9.042 -0.391 18167 6992 1 8 . 1 1 40 40 ALA N N 58 123.085 123.085 122.400 0.685 18167 6993 1 8 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.443 -0.060 18167 6994 1 8 . 1 1 40 40 ALA C C 58 177.125 177.125 176.945 0.180 18167 6995 1 8 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.243 1.111 18167 6996 1 8 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.640 -0.022 18167 6997 1 8 . 1 1 40 40 ALA H H 58 7.839 7.839 7.667 0.172 18167 6998 1 8 . 1 1 41 41 SER N N 59 115.088 115.088 115.845 -0.757 18167 6999 1 8 . 1 1 41 41 SER HA H 59 4.688 4.688 4.396 0.292 18167 7000 1 8 . 1 1 41 41 SER C C 59 171.885 171.885 173.128 -1.243 18167 7001 1 8 . 1 1 41 41 SER CA C 59 56.951 56.951 57.659 -0.708 18167 7002 1 8 . 1 1 41 41 SER CB C 59 63.123 63.123 62.375 0.748 18167 7003 1 8 . 1 1 41 41 SER H H 59 8.186 8.186 8.254 -0.068 18167 7004 1 8 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.202 0.147 18167 7005 1 8 . 1 1 42 42 PRO C C 60 177.660 177.660 177.600 0.060 18167 7006 1 8 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.397 -0.172 18167 7007 1 8 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.821 -0.280 18167 7008 1 8 . 1 1 43 43 GLY N N 61 111.997 111.997 111.135 0.862 18167 7009 1 8 . 1 1 43 43 GLY C C 61 174.070 174.070 174.193 -0.123 18167 7010 1 8 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.952 0.662 18167 7011 1 8 . 1 1 43 43 GLY H H 61 8.730 8.730 8.604 0.126 18167 7012 1 8 . 1 1 44 44 VAL N N 62 120.539 120.539 123.179 -2.640 18167 7013 1 8 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.777 0.500 18167 7014 1 8 . 1 1 44 44 VAL C C 62 175.277 175.277 174.965 0.312 18167 7015 1 8 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.244 -1.317 18167 7016 1 8 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.840 0.715 18167 7017 1 8 . 1 1 44 44 VAL H H 62 7.573 7.573 7.839 -0.266 18167 7018 1 8 . 1 1 45 45 ASP N N 63 128.619 128.619 128.403 0.216 18167 7019 1 8 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.973 -0.066 18167 7020 1 8 . 1 1 45 45 ASP C C 63 176.177 176.177 175.367 0.810 18167 7021 1 8 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.588 0.267 18167 7022 1 8 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.281 0.994 18167 7023 1 8 . 1 1 45 45 ASP H H 63 9.084 9.084 8.227 0.857 18167 7024 1 8 . 1 1 46 46 VAL N N 64 115.687 115.687 118.245 -2.558 18167 7025 1 8 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.303 0.007 18167 7026 1 8 . 1 1 46 46 VAL C C 64 172.853 172.853 174.011 -1.158 18167 7027 1 8 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.864 0.307 18167 7028 1 8 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.568 0.340 18167 7029 1 8 . 1 1 46 46 VAL H H 64 7.314 7.314 7.439 -0.125 18167 7030 1 8 . 1 1 47 47 VAL N N 65 124.933 124.933 123.388 1.545 18167 7031 1 8 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.339 0.717 18167 7032 1 8 . 1 1 47 47 VAL C C 65 175.266 175.266 173.947 1.319 18167 7033 1 8 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.182 -0.100 18167 7034 1 8 . 1 1 47 47 VAL CB C 65 36.667 36.667 33.894 2.773 18167 7035 1 8 . 1 1 47 47 VAL H H 65 8.146 8.146 7.875 0.271 18167 7036 1 8 . 1 1 48 48 PHE N N 66 122.916 122.916 126.506 -3.590 18167 7037 1 8 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.161 0.330 18167 7038 1 8 . 1 1 48 48 PHE C C 66 174.371 174.371 174.568 -0.197 18167 7039 1 8 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.520 0.009 18167 7040 1 8 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.069 2.090 18167 7041 1 8 . 1 1 48 48 PHE H H 66 8.469 8.469 9.009 -0.540 18167 7042 1 8 . 1 1 49 49 ARG N N 67 116.381 116.381 120.960 -4.579 18167 7043 1 8 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.539 -0.034 18167 7044 1 8 . 1 1 49 49 ARG C C 67 173.455 173.455 174.235 -0.780 18167 7045 1 8 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.511 -0.677 18167 7046 1 8 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.028 0.870 18167 7047 1 8 . 1 1 49 49 ARG H H 67 9.271 9.271 8.504 0.767 18167 7048 1 8 . 1 1 50 50 ASP N N 68 121.066 121.066 123.165 -2.099 18167 7049 1 8 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.557 -0.506 18167 7050 1 8 . 1 1 50 50 ASP C C 68 176.670 176.670 175.936 0.734 18167 7051 1 8 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.903 0.714 18167 7052 1 8 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.112 1.789 18167 7053 1 8 . 1 1 50 50 ASP H H 68 7.165 7.165 8.241 -1.076 18167 7054 1 8 . 1 1 51 51 LEU N N 69 124.078 124.078 125.793 -1.715 18167 7055 1 8 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.143 -0.118 18167 7056 1 8 . 1 1 51 51 LEU C C 69 177.463 177.463 177.599 -0.136 18167 7057 1 8 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.202 0.206 18167 7058 1 8 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.451 0.698 18167 7059 1 8 . 1 1 51 51 LEU H H 69 8.314 8.314 7.892 0.422 18167 7060 1 8 . 1 1 52 52 ILE N N 70 118.341 118.341 116.413 1.928 18167 7061 1 8 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.968 0.105 18167 7062 1 8 . 1 1 52 52 ILE C C 70 177.093 177.093 176.080 1.013 18167 7063 1 8 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.415 -1.557 18167 7064 1 8 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.865 0.755 18167 7065 1 8 . 1 1 52 52 ILE H H 70 8.178 8.178 8.039 0.139 18167 7066 1 8 . 1 1 53 53 GLU N N 71 122.254 122.254 119.079 3.175 18167 7067 1 8 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.631 -0.247 18167 7068 1 8 . 1 1 53 53 GLU C C 71 176.084 176.084 175.555 0.529 18167 7069 1 8 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.133 -0.325 18167 7070 1 8 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.449 -1.691 18167 7071 1 8 . 1 1 53 53 GLU H H 71 8.974 8.974 8.224 0.750 18167 7072 1 8 . 1 1 54 54 ARG N N 72 121.414 121.414 123.399 -1.985 18167 7073 1 8 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.166 -0.184 18167 7074 1 8 . 1 1 54 54 ARG C C 72 176.478 176.478 176.643 -0.165 18167 7075 1 8 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.070 0.170 18167 7076 1 8 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.494 -0.530 18167 7077 1 8 . 1 1 54 54 ARG H H 72 8.052 8.052 8.637 -0.585 18167 7078 1 8 . 1 1 55 55 ASP N N 73 117.425 117.425 117.425 0.000 18167 7079 1 8 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.442 0.009 18167 7080 1 8 . 1 1 55 55 ASP C C 73 173.783 173.783 175.911 -2.128 18167 7081 1 8 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.551 -0.477 18167 7082 1 8 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.245 0.497 18167 7083 1 8 . 1 1 55 55 ASP H H 73 8.455 8.455 8.433 0.022 18167 7084 1 8 . 1 1 56 56 GLU N N 74 124.050 124.050 120.631 3.419 18167 7085 1 8 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.511 0.988 18167 7086 1 8 . 1 1 56 56 GLU C C 74 174.110 174.110 175.026 -0.916 18167 7087 1 8 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.265 0.213 18167 7088 1 8 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.404 2.042 18167 7089 1 8 . 1 1 56 56 GLU H H 74 7.773 7.773 8.111 -0.338 18167 7090 1 8 . 1 1 57 57 ASN N N 75 119.794 119.794 123.852 -4.058 18167 7091 1 8 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.893 -0.130 18167 7092 1 8 . 1 1 57 57 ASN C C 75 171.893 171.893 172.974 -1.081 18167 7093 1 8 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.719 0.244 18167 7094 1 8 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.536 -0.167 18167 7095 1 8 . 1 1 57 57 ASN H H 75 8.891 8.891 8.325 0.566 18167 7096 1 8 . 1 1 58 58 LEU N N 76 116.438 116.438 123.710 -7.272 18167 7097 1 8 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.100 0.241 18167 7098 1 8 . 1 1 58 58 LEU C C 76 174.630 174.630 174.319 0.311 18167 7099 1 8 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.613 -0.785 18167 7100 1 8 . 1 1 58 58 LEU CB C 76 45.879 45.879 46.030 -0.151 18167 7101 1 8 . 1 1 58 58 LEU H H 76 9.166 9.166 8.732 0.434 18167 7102 1 8 . 1 1 59 59 SER N N 77 114.543 114.543 119.127 -4.584 18167 7103 1 8 . 1 1 59 59 SER HA H 77 5.432 5.432 4.888 0.544 18167 7104 1 8 . 1 1 59 59 SER C C 77 172.602 172.602 172.522 0.080 18167 7105 1 8 . 1 1 59 59 SER CA C 77 56.593 56.593 56.547 0.045 18167 7106 1 8 . 1 1 59 59 SER CB C 77 66.720 66.720 65.492 1.228 18167 7107 1 8 . 1 1 59 59 SER H H 77 8.352 8.352 9.002 -0.650 18167 7108 1 8 . 1 1 60 60 VAL N N 78 122.017 122.017 126.531 -4.514 18167 7109 1 8 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.311 0.658 18167 7110 1 8 . 1 1 60 60 VAL C C 78 174.861 174.861 174.383 0.478 18167 7111 1 8 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.002 0.182 18167 7112 1 8 . 1 1 60 60 VAL CB C 78 33.312 33.312 32.837 0.475 18167 7113 1 8 . 1 1 60 60 VAL H H 78 8.306 8.306 8.487 -0.181 18167 7114 1 8 . 1 1 61 61 ILE N N 79 128.458 128.458 128.221 0.237 18167 7115 1 8 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.622 0.099 18167 7116 1 8 . 1 1 61 61 ILE C C 79 175.639 175.639 174.423 1.216 18167 7117 1 8 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.517 -0.273 18167 7118 1 8 . 1 1 61 61 ILE CB C 79 41.286 41.286 39.974 1.312 18167 7119 1 8 . 1 1 61 61 ILE H H 79 9.193 9.193 7.770 1.423 18167 7120 1 8 . 1 1 62 62 ILE N N 80 129.957 129.957 127.542 2.415 18167 7121 1 8 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.964 0.078 18167 7122 1 8 . 1 1 62 62 ILE C C 80 175.727 175.727 175.151 0.576 18167 7123 1 8 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.705 0.454 18167 7124 1 8 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.773 -0.996 18167 7125 1 8 . 1 1 62 62 ILE H H 80 9.140 9.140 8.915 0.225 18167 7126 1 8 . 1 1 63 63 SER N N 81 122.084 122.084 120.535 1.549 18167 7127 1 8 . 1 1 63 63 SER HA H 81 4.878 4.878 4.845 0.033 18167 7128 1 8 . 1 1 63 63 SER C C 81 172.933 172.933 172.461 0.472 18167 7129 1 8 . 1 1 63 63 SER CA C 81 56.689 56.689 57.316 -0.627 18167 7130 1 8 . 1 1 63 63 SER CB C 81 65.862 65.862 66.545 -0.683 18167 7131 1 8 . 1 1 63 63 SER H H 81 9.079 9.079 8.572 0.507 18167 7132 1 8 . 1 1 64 64 GLU N N 82 121.983 121.983 121.635 0.348 18167 7133 1 8 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.883 -0.291 18167 7134 1 8 . 1 1 64 64 GLU C C 82 176.501 176.501 176.018 0.483 18167 7135 1 8 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.876 1.965 18167 7136 1 8 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.262 -0.753 18167 7137 1 8 . 1 1 64 64 GLU H H 82 8.664 8.664 8.480 0.184 18167 7138 1 8 . 1 1 65 65 ILE N N 83 121.194 121.194 119.274 1.920 18167 7139 1 8 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.581 -0.004 18167 7140 1 8 . 1 1 65 65 ILE C C 83 173.233 173.233 174.359 -1.126 18167 7141 1 8 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.108 0.690 18167 7142 1 8 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.406 2.083 18167 7143 1 8 . 1 1 65 65 ILE H H 83 8.271 8.271 8.058 0.213 18167 7144 1 8 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.346 0.105 18167 7145 1 8 . 1 1 66 66 PRO C C 84 177.697 177.697 176.561 1.136 18167 7146 1 8 . 1 1 66 66 PRO CA C 84 63.197 63.197 63.142 0.055 18167 7147 1 8 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.424 -0.359 18167 7148 1 8 . 1 1 67 67 SER N N 85 116.018 116.018 115.801 0.217 18167 7149 1 8 . 1 1 67 67 SER HA H 85 4.149 4.149 4.298 -0.149 18167 7150 1 8 . 1 1 67 67 SER C C 85 174.387 174.387 174.941 -0.554 18167 7151 1 8 . 1 1 67 67 SER CA C 85 60.348 60.348 60.014 0.334 18167 7152 1 8 . 1 1 67 67 SER CB C 85 63.402 63.402 63.382 0.020 18167 7153 1 8 . 1 1 67 67 SER H H 85 8.465 8.465 8.358 0.107 18167 7154 1 8 . 1 1 68 68 ASP N N 86 118.568 118.568 120.801 -2.233 18167 7155 1 8 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.675 -0.117 18167 7156 1 8 . 1 1 68 68 ASP C C 86 175.732 175.732 175.691 0.041 18167 7157 1 8 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.344 -0.534 18167 7158 1 8 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.342 -1.124 18167 7159 1 8 . 1 1 68 68 ASP H H 86 8.531 8.531 8.138 0.393 18167 7160 1 8 . 1 1 69 69 LYS N N 87 119.225 119.225 117.924 1.301 18167 7161 1 8 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.569 0.113 18167 7162 1 8 . 1 1 69 69 LYS C C 87 175.814 175.814 174.816 0.998 18167 7163 1 8 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.089 -0.228 18167 7164 1 8 . 1 1 69 69 LYS CB C 87 33.706 33.706 34.804 -1.098 18167 7165 1 8 . 1 1 69 69 LYS H H 87 7.653 7.653 7.587 0.066 18167 7166 1 8 . 1 1 70 70 THR N N 88 113.175 113.175 112.954 0.221 18167 7167 1 8 . 1 1 70 70 THR HA H 88 4.529 4.529 4.555 -0.026 18167 7168 1 8 . 1 1 70 70 THR C C 88 175.278 175.278 175.562 -0.284 18167 7169 1 8 . 1 1 70 70 THR CA C 88 60.699 60.699 59.847 0.852 18167 7170 1 8 . 1 1 70 70 THR CB C 88 70.710 70.710 71.311 -0.601 18167 7171 1 8 . 1 1 70 70 THR H H 88 8.608 8.608 7.875 0.733 18167 7172 1 8 . 1 1 71 71 LEU N N 89 121.978 121.978 122.693 -0.715 18167 7173 1 8 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.963 -0.026 18167 7174 1 8 . 1 1 71 71 LEU C C 89 177.698 177.698 177.822 -0.124 18167 7175 1 8 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.252 -0.488 18167 7176 1 8 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.895 0.600 18167 7177 1 8 . 1 1 71 71 LEU H H 89 7.998 7.998 8.872 -0.874 18167 7178 1 8 . 1 1 72 72 THR N N 90 106.680 106.680 109.063 -2.383 18167 7179 1 8 . 1 1 72 72 THR HA H 90 4.221 4.221 4.033 0.188 18167 7180 1 8 . 1 1 72 72 THR C C 90 176.248 176.248 175.185 1.063 18167 7181 1 8 . 1 1 72 72 THR CA C 90 63.648 63.648 64.950 -1.302 18167 7182 1 8 . 1 1 72 72 THR CB C 90 68.620 68.620 68.540 0.080 18167 7183 1 8 . 1 1 72 72 THR H H 90 7.798 7.798 7.924 -0.126 18167 7184 1 8 . 1 1 73 73 ASP N N 91 120.626 120.626 120.325 0.301 18167 7185 1 8 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.548 0.062 18167 7186 1 8 . 1 1 73 73 ASP C C 91 177.133 177.133 177.986 -0.853 18167 7187 1 8 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.820 -0.219 18167 7188 1 8 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.729 0.944 18167 7189 1 8 . 1 1 73 73 ASP H H 91 7.805 7.805 8.164 -0.359 18167 7190 1 8 . 1 1 74 74 LEU N N 92 120.238 120.238 119.963 0.275 18167 7191 1 8 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.014 0.207 18167 7192 1 8 . 1 1 74 74 LEU C C 92 176.907 176.907 176.673 0.234 18167 7193 1 8 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.630 -0.987 18167 7194 1 8 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.687 -1.363 18167 7195 1 8 . 1 1 74 74 LEU H H 92 8.182 8.182 8.115 0.067 18167 7196 1 8 . 1 1 75 75 GLY N N 93 105.772 105.772 102.034 3.738 18167 7197 1 8 . 1 1 75 75 GLY C C 93 173.853 173.853 171.647 2.206 18167 7198 1 8 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.639 -0.611 18167 7199 1 8 . 1 1 75 75 GLY H H 93 7.713 7.713 7.397 0.316 18167 7200 1 8 . 1 1 76 76 THR N N 94 111.354 111.354 109.452 1.902 18167 7201 1 8 . 1 1 76 76 THR HA H 94 4.426 4.426 4.809 -0.383 18167 7202 1 8 . 1 1 76 76 THR C C 94 174.396 174.396 175.906 -1.510 18167 7203 1 8 . 1 1 76 76 THR CA C 94 61.220 61.220 59.565 1.655 18167 7204 1 8 . 1 1 76 76 THR CB C 94 71.400 71.400 72.152 -0.752 18167 7205 1 8 . 1 1 76 76 THR H H 94 8.842 8.842 8.206 0.636 18167 7206 1 8 . 1 1 77 77 ALA N N 95 122.586 122.586 123.485 -0.899 18167 7207 1 8 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.976 -0.650 18167 7208 1 8 . 1 1 77 77 ALA C C 95 179.120 179.120 179.289 -0.169 18167 7209 1 8 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.473 0.151 18167 7210 1 8 . 1 1 77 77 ALA CB C 95 16.979 16.979 18.024 -1.045 18167 7211 1 8 . 1 1 77 77 ALA H H 95 8.861 8.861 8.962 -0.101 18167 7212 1 8 . 1 1 78 78 THR N N 96 110.298 110.298 115.101 -4.803 18167 7213 1 8 . 1 1 78 78 THR HA H 96 3.479 3.479 3.966 -0.487 18167 7214 1 8 . 1 1 78 78 THR C C 96 175.297 175.297 176.609 -1.312 18167 7215 1 8 . 1 1 78 78 THR CA C 96 66.314 66.314 66.345 -0.031 18167 7216 1 8 . 1 1 78 78 THR CB C 96 68.335 68.335 68.561 -0.226 18167 7217 1 8 . 1 1 78 78 THR H H 96 7.757 7.757 7.803 -0.046 18167 7218 1 8 . 1 1 79 79 ASP N N 97 122.829 122.829 122.533 0.296 18167 7219 1 8 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.557 -0.145 18167 7220 1 8 . 1 1 79 79 ASP C C 97 179.693 179.693 178.694 0.999 18167 7221 1 8 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.825 0.168 18167 7222 1 8 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.992 -0.462 18167 7223 1 8 . 1 1 79 79 ASP H H 97 7.448 7.448 8.107 -0.659 18167 7224 1 8 . 1 1 80 80 VAL N N 98 121.175 121.175 119.443 1.732 18167 7225 1 8 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.780 -0.298 18167 7226 1 8 . 1 1 80 80 VAL C C 98 178.667 178.667 178.033 0.634 18167 7227 1 8 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.775 -0.218 18167 7228 1 8 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.638 -0.130 18167 7229 1 8 . 1 1 80 80 VAL H H 98 8.390 8.390 8.689 -0.299 18167 7230 1 8 . 1 1 81 81 GLY N N 99 108.920 108.920 108.374 0.546 18167 7231 1 8 . 1 1 81 81 GLY C C 99 175.133 175.133 176.159 -1.026 18167 7232 1 8 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.461 1.589 18167 7233 1 8 . 1 1 81 81 GLY H H 99 8.630 8.630 7.901 0.729 18167 7234 1 8 . 1 1 82 82 TYR N N 100 121.598 121.598 122.085 -0.487 18167 7235 1 8 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.339 -0.011 18167 7236 1 8 . 1 1 82 82 TYR C C 100 179.383 179.383 178.585 0.798 18167 7237 1 8 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.491 0.248 18167 7238 1 8 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.221 -1.123 18167 7239 1 8 . 1 1 82 82 TYR H H 100 8.880 8.880 8.032 0.848 18167 7240 1 8 . 1 1 83 83 ARG N N 101 121.436 121.436 118.975 2.461 18167 7241 1 8 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.025 0.062 18167 7242 1 8 . 1 1 83 83 ARG C C 101 178.906 178.906 178.736 0.170 18167 7243 1 8 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.920 0.627 18167 7244 1 8 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.719 -0.096 18167 7245 1 8 . 1 1 83 83 ARG H H 101 8.102 8.102 8.373 -0.271 18167 7246 1 8 . 1 1 84 84 PHE N N 102 121.581 121.581 122.497 -0.916 18167 7247 1 8 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.195 0.192 18167 7248 1 8 . 1 1 84 84 PHE C C 102 177.731 177.731 177.331 0.400 18167 7249 1 8 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.462 -1.456 18167 7250 1 8 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.944 -0.703 18167 7251 1 8 . 1 1 84 84 PHE H H 102 8.511 8.511 8.769 -0.258 18167 7252 1 8 . 1 1 85 85 MET N N 103 117.909 117.909 118.248 -0.339 18167 7253 1 8 . 1 1 85 85 MET HA H 103 3.850 3.850 3.853 -0.003 18167 7254 1 8 . 1 1 85 85 MET C C 103 178.063 178.063 178.366 -0.303 18167 7255 1 8 . 1 1 85 85 MET CA C 103 57.352 57.352 57.579 -0.227 18167 7256 1 8 . 1 1 85 85 MET CB C 103 33.654 33.654 31.153 2.501 18167 7257 1 8 . 1 1 85 85 MET H H 103 8.350 8.350 7.868 0.482 18167 7258 1 8 . 1 1 86 86 LYS N N 104 118.874 118.874 120.303 -1.429 18167 7259 1 8 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.987 0.017 18167 7260 1 8 . 1 1 86 86 LYS C C 104 177.910 177.910 178.898 -0.988 18167 7261 1 8 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.604 -0.156 18167 7262 1 8 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.037 -0.352 18167 7263 1 8 . 1 1 86 86 LYS H H 104 7.578 7.578 7.759 -0.181 18167 7264 1 8 . 1 1 87 87 THR N N 105 114.567 114.567 116.578 -2.011 18167 7265 1 8 . 1 1 87 87 THR HA H 105 3.949 3.949 3.957 -0.008 18167 7266 1 8 . 1 1 87 87 THR C C 105 176.912 176.912 176.549 0.363 18167 7267 1 8 . 1 1 87 87 THR CA C 105 66.108 66.108 67.195 -1.087 18167 7268 1 8 . 1 1 87 87 THR CB C 105 68.909 68.909 68.408 0.501 18167 7269 1 8 . 1 1 87 87 THR H H 105 7.667 7.667 7.820 -0.153 18167 7270 1 8 . 1 1 88 88 VAL N N 106 122.160 122.160 119.944 2.216 18167 7271 1 8 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.394 0.097 18167 7272 1 8 . 1 1 88 88 VAL C C 106 178.950 178.950 177.786 1.164 18167 7273 1 8 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.630 0.194 18167 7274 1 8 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.033 0.476 18167 7275 1 8 . 1 1 88 88 VAL H H 106 7.600 7.600 7.965 -0.365 18167 7276 1 8 . 1 1 89 89 ASN N N 107 120.741 120.741 118.772 1.969 18167 7277 1 8 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.321 0.169 18167 7278 1 8 . 1 1 89 89 ASN C C 107 178.483 178.483 176.862 1.621 18167 7279 1 8 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.725 0.217 18167 7280 1 8 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.776 0.114 18167 7281 1 8 . 1 1 89 89 ASN H H 107 8.501 8.501 8.466 0.035 18167 7282 1 8 . 1 1 90 90 ASP N N 108 121.211 121.211 119.837 1.374 18167 7283 1 8 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.310 0.170 18167 7284 1 8 . 1 1 90 90 ASP C C 108 177.598 177.598 177.144 0.454 18167 7285 1 8 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.906 -0.539 18167 7286 1 8 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.597 -0.355 18167 7287 1 8 . 1 1 90 90 ASP H H 108 8.824 8.824 8.315 0.509 18167 7288 1 8 . 1 1 91 91 ALA N N 109 121.181 121.181 120.426 0.755 18167 7289 1 8 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.211 0.181 18167 7290 1 8 . 1 1 91 91 ALA C C 109 177.936 177.936 178.394 -0.458 18167 7291 1 8 . 1 1 91 91 ALA CA C 109 52.692 52.692 54.142 -1.450 18167 7292 1 8 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.092 -0.203 18167 7293 1 8 . 1 1 91 91 ALA H H 109 7.507 7.507 7.473 0.034 18167 7294 1 8 . 1 1 92 92 SER N N 110 113.785 113.785 112.492 1.293 18167 7295 1 8 . 1 1 92 92 SER HA H 110 4.537 4.537 4.628 -0.091 18167 7296 1 8 . 1 1 92 92 SER C C 110 174.252 174.252 174.771 -0.519 18167 7297 1 8 . 1 1 92 92 SER CA C 110 58.565 58.565 57.776 0.789 18167 7298 1 8 . 1 1 92 92 SER CB C 110 64.795 64.795 64.149 0.646 18167 7299 1 8 . 1 1 92 92 SER H H 110 7.611 7.611 7.685 -0.074 18167 7300 1 8 . 1 1 93 93 GLN N N 111 119.994 119.994 122.393 -2.399 18167 7301 1 8 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.089 0.334 18167 7302 1 8 . 1 1 93 93 GLN C C 111 176.441 176.441 177.467 -1.026 18167 7303 1 8 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.674 -2.882 18167 7304 1 8 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.664 0.179 18167 7305 1 8 . 1 1 93 93 GLN H H 111 8.414 8.414 8.077 0.337 18167 7306 1 8 . 1 1 94 94 GLY N N 112 107.948 107.948 107.104 0.844 18167 7307 1 8 . 1 1 94 94 GLY C C 112 174.406 174.406 175.245 -0.839 18167 7308 1 8 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.914 -0.972 18167 7309 1 8 . 1 1 94 94 GLY H H 112 8.467 8.467 8.521 -0.054 18167 7310 1 8 . 1 1 95 95 ASP N N 113 119.500 119.500 119.304 0.196 18167 7311 1 8 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.745 -0.189 18167 7312 1 8 . 1 1 95 95 ASP C C 113 175.438 175.438 176.014 -0.576 18167 7313 1 8 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.431 0.249 18167 7314 1 8 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.655 -2.461 18167 7315 1 8 . 1 1 95 95 ASP H H 113 8.423 8.423 7.932 0.491 18167 7316 1 8 . 1 1 96 96 ARG N N 114 118.992 118.992 121.392 -2.400 18167 7317 1 8 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.736 0.325 18167 7318 1 8 . 1 1 96 96 ARG C C 114 175.699 175.699 173.968 1.731 18167 7319 1 8 . 1 1 96 96 ARG CA C 114 55.043 55.043 55.420 -0.377 18167 7320 1 8 . 1 1 96 96 ARG CB C 114 32.640 32.640 32.464 0.176 18167 7321 1 8 . 1 1 96 96 ARG H H 114 7.507 7.507 7.752 -0.245 18167 7322 1 8 . 1 1 97 97 GLN N N 115 121.149 121.149 120.290 0.859 18167 7323 1 8 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.654 0.015 18167 7324 1 8 . 1 1 97 97 GLN C C 115 173.696 173.696 173.115 0.581 18167 7325 1 8 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.132 0.425 18167 7326 1 8 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.431 -1.358 18167 7327 1 8 . 1 1 97 97 GLN H H 115 8.814 8.814 8.282 0.532 18167 7328 1 8 . 1 1 98 98 ALA N N 116 129.789 129.789 123.725 6.064 18167 7329 1 8 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.340 -0.024 18167 7330 1 8 . 1 1 98 98 ALA C C 116 176.503 176.503 176.517 -0.014 18167 7331 1 8 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.029 0.785 18167 7332 1 8 . 1 1 98 98 ALA CB C 116 21.042 21.042 21.137 -0.095 18167 7333 1 8 . 1 1 98 98 ALA H H 116 9.836 9.836 8.957 0.879 18167 7334 1 8 . 1 1 99 99 GLU N N 117 122.780 122.780 122.719 0.061 18167 7335 1 8 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.617 -0.014 18167 7336 1 8 . 1 1 99 99 GLU C C 117 174.361 174.361 175.352 -0.991 18167 7337 1 8 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.311 0.009 18167 7338 1 8 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.930 0.382 18167 7339 1 8 . 1 1 99 99 GLU H H 117 9.252 9.252 8.779 0.473 18167 7340 1 8 . 1 1 100 100 LEU N N 118 127.043 127.043 128.799 -1.756 18167 7341 1 8 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.361 -0.054 18167 7342 1 8 . 1 1 100 100 LEU C C 118 176.338 176.338 176.631 -0.293 18167 7343 1 8 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.963 0.559 18167 7344 1 8 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.841 0.800 18167 7345 1 8 . 1 1 100 100 LEU H H 118 8.765 8.765 8.829 -0.064 18167 7346 1 8 . 1 1 101 101 ILE N N 119 128.101 128.101 127.606 0.495 18167 7347 1 8 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.821 0.275 18167 7348 1 8 . 1 1 101 101 ILE C C 119 175.634 175.634 176.259 -0.625 18167 7349 1 8 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.600 -1.197 18167 7350 1 8 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.585 0.473 18167 7351 1 8 . 1 1 101 101 ILE H H 119 9.244 9.244 8.769 0.475 18167 7352 1 8 . 1 1 102 102 ASN N N 120 114.715 114.715 114.259 0.456 18167 7353 1 8 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.781 0.174 18167 7354 1 8 . 1 1 102 102 ASN C C 120 172.326 172.326 172.976 -0.650 18167 7355 1 8 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.332 1.041 18167 7356 1 8 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.375 2.512 18167 7357 1 8 . 1 1 102 102 ASN H H 120 7.989 7.989 7.972 0.017 18167 7358 1 8 . 1 1 103 103 ALA N N 121 125.011 125.011 121.199 3.812 18167 7359 1 8 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.138 0.319 18167 7360 1 8 . 1 1 103 103 ALA C C 121 175.068 175.068 175.966 -0.898 18167 7361 1 8 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.880 -0.521 18167 7362 1 8 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.298 1.111 18167 7363 1 8 . 1 1 103 103 ALA H H 121 8.182 8.182 8.357 -0.175 18167 7364 1 8 . 1 1 104 104 GLU N N 122 121.148 121.148 120.572 0.576 18167 7365 1 8 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.638 0.057 18167 7366 1 8 . 1 1 104 104 GLU C C 122 173.666 173.666 173.863 -0.197 18167 7367 1 8 . 1 1 104 104 GLU CA C 122 55.093 55.093 55.054 0.039 18167 7368 1 8 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.306 0.204 18167 7369 1 8 . 1 1 104 104 GLU H H 122 8.817 8.817 8.483 0.334 18167 7370 1 8 . 1 1 105 105 ALA N N 123 124.441 124.441 123.708 0.733 18167 7371 1 8 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.487 0.040 18167 7372 1 8 . 1 1 105 105 ALA C C 123 176.479 176.479 176.583 -0.104 18167 7373 1 8 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.783 0.348 18167 7374 1 8 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.860 0.991 18167 7375 1 8 . 1 1 105 105 ALA H H 123 8.860 8.860 8.405 0.455 18167 7376 1 8 . 1 1 106 106 ARG N N 124 120.892 120.892 120.347 0.545 18167 7377 1 8 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.694 0.129 18167 7378 1 8 . 1 1 106 106 ARG C C 124 172.820 172.820 174.462 -1.642 18167 7379 1 8 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.273 -0.501 18167 7380 1 8 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.493 -1.223 18167 7381 1 8 . 1 1 106 106 ARG H H 124 9.209 9.209 8.965 0.244 18167 7382 1 8 . 1 1 107 107 ASP N N 125 122.706 122.706 123.540 -0.834 18167 7383 1 8 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.651 -0.412 18167 7384 1 8 . 1 1 107 107 ASP C C 125 176.097 176.097 175.736 0.361 18167 7385 1 8 . 1 1 107 107 ASP CA C 125 52.944 52.944 52.970 -0.026 18167 7386 1 8 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.957 1.181 18167 7387 1 8 . 1 1 107 107 ASP H H 125 8.633 8.633 8.677 -0.044 18167 7388 1 8 . 1 1 108 108 GLU N N 126 126.120 126.120 125.422 0.698 18167 7389 1 8 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.685 0.020 18167 7390 1 8 . 1 1 108 108 GLU C C 126 175.768 175.768 176.456 -0.688 18167 7391 1 8 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.227 -0.210 18167 7392 1 8 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.592 -3.168 18167 7393 1 8 . 1 1 108 108 GLU H H 126 9.152 9.152 9.381 -0.229 18167 7394 1 8 . 1 1 109 109 ASP N N 127 126.277 126.277 123.707 2.570 18167 7395 1 8 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.393 -0.039 18167 7396 1 8 . 1 1 109 109 ASP C C 127 175.414 175.414 176.618 -1.204 18167 7397 1 8 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.975 0.415 18167 7398 1 8 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.193 0.049 18167 7399 1 8 . 1 1 109 109 ASP H H 127 9.067 9.067 9.131 -0.064 18167 7400 1 8 . 1 1 110 110 GLY N N 128 106.859 106.859 103.590 3.269 18167 7401 1 8 . 1 1 110 110 GLY C C 128 173.761 173.761 174.380 -0.619 18167 7402 1 8 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.248 -0.006 18167 7403 1 8 . 1 1 110 110 GLY H H 128 9.008 9.008 8.726 0.282 18167 7404 1 8 . 1 1 111 111 GLN N N 129 123.033 123.033 120.093 2.940 18167 7405 1 8 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.585 -0.202 18167 7406 1 8 . 1 1 111 111 GLN C C 129 173.901 173.901 174.572 -0.671 18167 7407 1 8 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.453 -0.517 18167 7408 1 8 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.169 -1.986 18167 7409 1 8 . 1 1 111 111 GLN H H 129 7.825 7.825 8.369 -0.544 18167 7410 1 8 . 1 1 112 112 VAL N N 130 128.263 128.263 121.638 6.625 18167 7411 1 8 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.802 0.070 18167 7412 1 8 . 1 1 112 112 VAL C C 130 175.591 175.591 174.737 0.854 18167 7413 1 8 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.244 0.859 18167 7414 1 8 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.571 -1.198 18167 7415 1 8 . 1 1 112 112 VAL H H 130 8.330 8.330 8.271 0.059 18167 7416 1 8 . 1 1 113 113 TYR N N 131 126.702 126.702 124.911 1.791 18167 7417 1 8 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.900 0.150 18167 7418 1 8 . 1 1 113 113 TYR C C 131 175.477 175.477 174.989 0.488 18167 7419 1 8 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.071 0.352 18167 7420 1 8 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.274 1.215 18167 7421 1 8 . 1 1 113 113 TYR H H 131 9.136 9.136 9.370 -0.234 18167 7422 1 8 . 1 1 114 114 TYR N N 132 121.626 121.626 124.393 -2.767 18167 7423 1 8 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.107 0.723 18167 7424 1 8 . 1 1 114 114 TYR C C 132 175.368 175.368 175.417 -0.049 18167 7425 1 8 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.794 -1.726 18167 7426 1 8 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.305 -0.988 18167 7427 1 8 . 1 1 114 114 TYR H H 132 9.577 9.577 9.602 -0.025 18167 7428 1 8 . 1 1 115 115 THR N N 133 120.018 120.018 121.342 -1.324 18167 7429 1 8 . 1 1 115 115 THR HA H 133 5.486 5.486 4.584 0.902 18167 7430 1 8 . 1 1 115 115 THR C C 133 174.327 174.327 172.993 1.334 18167 7431 1 8 . 1 1 115 115 THR CA C 133 61.648 61.648 62.342 -0.694 18167 7432 1 8 . 1 1 115 115 THR CB C 133 69.622 69.622 69.611 0.012 18167 7433 1 8 . 1 1 115 115 THR H H 133 9.351 9.351 9.378 -0.027 18167 7434 1 8 . 1 1 116 116 LEU N N 134 127.249 127.249 129.038 -1.789 18167 7435 1 8 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.778 0.517 18167 7436 1 8 . 1 1 116 116 LEU C C 134 174.347 174.347 174.520 -0.173 18167 7437 1 8 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.318 -1.690 18167 7438 1 8 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.680 -0.145 18167 7439 1 8 . 1 1 116 116 LEU H H 134 10.010 10.010 9.177 0.834 18167 7440 1 8 . 1 1 117 117 GLU N N 135 124.969 124.969 126.165 -1.196 18167 7441 1 8 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.736 0.842 18167 7442 1 8 . 1 1 117 117 GLU C C 135 175.635 175.635 175.005 0.630 18167 7443 1 8 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.921 -0.782 18167 7444 1 8 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.309 -0.146 18167 7445 1 8 . 1 1 117 117 GLU H H 135 9.109 9.109 8.377 0.732 18167 7446 1 8 . 1 1 118 118 TYR N N 136 125.868 125.868 122.926 2.942 18167 7447 1 8 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.622 -0.347 18167 7448 1 8 . 1 1 118 118 TYR C C 136 170.317 170.317 172.724 -2.407 18167 7449 1 8 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.835 0.176 18167 7450 1 8 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.164 0.352 18167 7451 1 8 . 1 1 118 118 TYR H H 136 8.973 8.973 8.426 0.547 18167 7452 1 8 . 1 1 119 119 ARG N N 137 115.256 115.256 117.137 -1.881 18167 7453 1 8 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.422 0.655 18167 7454 1 8 . 1 1 119 119 ARG C C 137 173.643 173.643 174.443 -0.800 18167 7455 1 8 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.101 -0.978 18167 7456 1 8 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.068 -0.883 18167 7457 1 8 . 1 1 119 119 ARG H H 137 8.920 8.920 8.794 0.126 18167 7458 1 8 . 1 1 120 120 VAL N N 138 119.767 119.767 117.882 1.885 18167 7459 1 8 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.724 0.062 18167 7460 1 8 . 1 1 120 120 VAL C C 138 174.355 174.355 174.455 -0.100 18167 7461 1 8 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.874 0.909 18167 7462 1 8 . 1 1 120 120 VAL CB C 138 34.162 34.162 32.270 1.892 18167 7463 1 8 . 1 1 120 120 VAL H H 138 8.430 8.430 8.232 0.198 18167 7464 1 8 . 1 1 121 121 LEU N N 139 129.915 129.915 128.313 1.602 18167 7465 1 8 . 1 1 121 121 LEU HA H 139 5.085 5.085 4.775 0.310 18167 7466 1 8 . 1 1 121 121 LEU C C 139 176.376 176.376 175.506 0.870 18167 7467 1 8 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.142 0.518 18167 7468 1 8 . 1 1 121 121 LEU CB C 139 44.122 44.122 43.968 0.154 18167 7469 1 8 . 1 1 121 121 LEU H H 139 9.333 9.333 8.813 0.520 18167 7470 1 8 . 1 1 122 122 VAL N N 140 120.956 120.956 123.132 -2.176 18167 7471 1 8 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.408 -0.033 18167 7472 1 8 . 1 1 122 122 VAL C C 140 177.264 177.264 176.536 0.728 18167 7473 1 8 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.615 0.853 18167 7474 1 8 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.791 -0.917 18167 7475 1 8 . 1 1 122 122 VAL H H 140 8.655 8.655 7.991 0.664 18167 7476 1 8 . 1 1 123 123 GLY N N 141 119.059 119.059 117.504 1.555 18167 7477 1 8 . 1 1 123 123 GLY C C 141 174.482 174.482 174.311 0.171 18167 7478 1 8 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.632 0.536 18167 7479 1 8 . 1 1 123 123 GLY H H 141 8.940 8.940 8.686 0.254 18167 7480 1 8 . 1 1 124 124 ASP N N 142 124.652 124.652 124.065 0.587 18167 7481 1 8 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.923 -0.289 18167 7482 1 8 . 1 1 124 124 ASP C C 142 175.588 175.588 175.425 0.163 18167 7483 1 8 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.690 0.700 18167 7484 1 8 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.797 0.467 18167 7485 1 8 . 1 1 124 124 ASP H H 142 8.722 8.722 8.516 0.206 18167 7486 1 8 . 1 1 125 125 ASN N N 143 118.203 118.203 118.070 0.133 18167 7487 1 8 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.922 0.005 18167 7488 1 8 . 1 1 125 125 ASN C C 143 174.095 174.095 173.230 0.865 18167 7489 1 8 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.379 0.027 18167 7490 1 8 . 1 1 125 125 ASN CB C 143 41.063 41.063 42.175 -1.112 18167 7491 1 8 . 1 1 125 125 ASN H H 143 8.023 8.023 7.904 0.119 18167 7492 1 8 . 1 1 126 126 VAL N N 144 123.424 123.424 120.801 2.623 18167 7493 1 8 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.930 0.150 18167 7494 1 8 . 1 1 126 126 VAL C C 144 175.767 175.767 175.694 0.073 18167 7495 1 8 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.771 0.538 18167 7496 1 8 . 1 1 126 126 VAL H H 144 8.857 8.857 8.463 0.394 18167 7497 1 8 . 1 1 127 127 GLU N N 145 130.709 130.709 129.378 1.331 18167 7498 1 8 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.123 0.282 18167 7499 1 8 . 1 1 127 127 GLU C C 145 176.522 176.522 176.208 0.314 18167 7500 1 8 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.688 -0.724 18167 7501 1 8 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.720 1.635 18167 7502 1 8 . 1 1 127 127 GLU H H 145 9.487 9.487 8.841 0.646 18167 7503 1 8 . 1 1 128 128 ARG N N 146 113.222 113.222 113.088 0.134 18167 7504 1 8 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.614 0.447 18167 7505 1 8 . 1 1 128 128 ARG C C 146 172.055 172.055 173.697 -1.642 18167 7506 1 8 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.407 -1.026 18167 7507 1 8 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.427 1.564 18167 7508 1 8 . 1 1 128 128 ARG H H 146 7.657 7.657 7.330 0.327 18167 7509 1 8 . 1 1 129 129 HIS N N 147 125.158 125.158 117.398 7.760 18167 7510 1 8 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.550 0.082 18167 7511 1 8 . 1 1 129 129 HIS C C 147 172.407 172.407 172.871 -0.464 18167 7512 1 8 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.909 -1.713 18167 7513 1 8 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.455 0.481 18167 7514 1 8 . 1 1 129 129 HIS H H 147 9.295 9.295 8.601 0.694 18167 7515 1 8 . 1 1 130 130 ASP N N 148 122.383 122.383 120.517 1.866 18167 7516 1 8 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.024 1.103 18167 7517 1 8 . 1 1 130 130 ASP C C 148 174.350 174.350 173.357 0.993 18167 7518 1 8 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.496 -0.549 18167 7519 1 8 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.489 -1.521 18167 7520 1 8 . 1 1 130 130 ASP H H 148 8.879 8.879 8.103 0.776 18167 7521 1 8 . 1 1 131 131 LEU N N 149 121.444 121.444 123.517 -2.073 18167 7522 1 8 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.902 0.387 18167 7523 1 8 . 1 1 131 131 LEU C C 149 174.289 174.289 173.932 0.357 18167 7524 1 8 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.112 0.746 18167 7525 1 8 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.383 1.485 18167 7526 1 8 . 1 1 131 131 LEU H H 149 8.916 8.916 8.113 0.803 18167 7527 1 8 . 1 1 132 132 ALA N N 150 128.498 128.498 128.146 0.352 18167 7528 1 8 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.366 0.664 18167 7529 1 8 . 1 1 132 132 ALA C C 150 176.044 176.044 175.583 0.461 18167 7530 1 8 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.676 -1.275 18167 7531 1 8 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.082 -0.259 18167 7532 1 8 . 1 1 132 132 ALA H H 150 9.920 9.920 8.991 0.929 18167 7533 1 8 . 1 1 133 133 SER N N 151 116.937 116.937 119.921 -2.984 18167 7534 1 8 . 1 1 133 133 SER HA H 151 5.812 5.812 5.375 0.437 18167 7535 1 8 . 1 1 133 133 SER C C 151 173.367 173.367 173.566 -0.199 18167 7536 1 8 . 1 1 133 133 SER CA C 151 56.394 56.394 56.563 -0.169 18167 7537 1 8 . 1 1 133 133 SER CB C 151 65.448 65.448 64.397 1.052 18167 7538 1 8 . 1 1 133 133 SER H H 151 9.360 9.360 8.196 1.164 18167 7539 1 8 . 1 1 134 134 VAL N N 152 126.011 126.011 128.847 -2.836 18167 7540 1 8 . 1 1 134 134 VAL HA H 152 5.409 5.409 5.019 0.390 18167 7541 1 8 . 1 1 134 134 VAL C C 152 175.735 175.735 174.959 0.776 18167 7542 1 8 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.139 -0.976 18167 7543 1 8 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.832 2.088 18167 7544 1 8 . 1 1 134 134 VAL H H 152 9.558 9.558 9.260 0.298 18167 7545 1 8 . 1 1 135 135 THR N N 153 118.998 118.998 124.123 -5.125 18167 7546 1 8 . 1 1 135 135 THR HA H 153 4.723 4.723 4.820 -0.097 18167 7547 1 8 . 1 1 135 135 THR C C 153 171.746 171.746 173.082 -1.336 18167 7548 1 8 . 1 1 135 135 THR CA C 153 61.221 61.221 61.032 0.189 18167 7549 1 8 . 1 1 135 135 THR CB C 153 69.300 69.300 72.404 -3.104 18167 7550 1 8 . 1 1 135 135 THR H H 153 8.960 8.960 9.130 -0.170 18167 7551 1 8 . 1 1 136 136 THR N N 154 109.883 109.883 116.614 -6.731 18167 7552 1 8 . 1 1 136 136 THR HA H 154 5.636 5.636 5.330 0.306 18167 7553 1 8 . 1 1 136 136 THR C C 154 173.904 173.904 173.940 -0.036 18167 7554 1 8 . 1 1 136 136 THR CA C 154 58.391 58.391 59.371 -0.980 18167 7555 1 8 . 1 1 136 136 THR CB C 154 71.387 71.387 70.134 1.253 18167 7556 1 8 . 1 1 136 136 THR H H 154 7.940 7.940 8.377 -0.437 18167 7557 1 8 . 1 1 137 137 ASN N N 155 115.138 115.138 122.035 -6.897 18167 7558 1 8 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.793 0.113 18167 7559 1 8 . 1 1 137 137 ASN C C 155 174.994 174.994 175.059 -0.065 18167 7560 1 8 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.299 1.046 18167 7561 1 8 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.574 1.233 18167 7562 1 8 . 1 1 137 137 ASN H H 155 8.938 8.938 8.613 0.325 18167 7563 1 8 . 1 1 138 138 ARG N N 156 125.040 125.040 127.149 -2.109 18167 7564 1 8 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.008 -0.051 18167 7565 1 8 . 1 1 138 138 ARG C C 156 175.870 175.870 175.507 0.363 18167 7566 1 8 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.888 0.236 18167 7567 1 8 . 1 1 138 138 ARG CB C 156 27.659 27.659 29.129 -1.470 18167 7568 1 8 . 1 1 138 138 ARG H H 156 9.364 9.364 8.871 0.493 18167 7569 1 8 . 1 1 139 139 GLY N N 157 104.408 104.408 102.742 1.666 18167 7570 1 8 . 1 1 139 139 GLY C C 157 173.563 173.563 173.886 -0.323 18167 7571 1 8 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.102 0.719 18167 7572 1 8 . 1 1 139 139 GLY H H 157 8.862 8.862 8.507 0.355 18167 7573 1 8 . 1 1 140 140 LYS N N 158 117.999 117.999 120.535 -2.536 18167 7574 1 8 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.675 0.285 18167 7575 1 8 . 1 1 140 140 LYS C C 158 174.527 174.527 175.193 -0.666 18167 7576 1 8 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.908 -1.186 18167 7577 1 8 . 1 1 140 140 LYS CB C 158 34.864 34.864 34.635 0.229 18167 7578 1 8 . 1 1 140 140 LYS H H 158 7.718 7.718 7.528 0.190 18167 7579 1 8 . 1 1 141 141 LEU N N 159 124.332 124.332 126.982 -2.650 18167 7580 1 8 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.588 0.042 18167 7581 1 8 . 1 1 141 141 LEU C C 159 175.337 175.337 175.358 -0.021 18167 7582 1 8 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.336 -0.098 18167 7583 1 8 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.437 0.435 18167 7584 1 8 . 1 1 141 141 LEU H H 159 9.006 9.006 9.150 -0.144 18167 7585 1 8 . 1 1 142 142 ILE N N 160 128.619 128.619 127.304 1.315 18167 7586 1 8 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.418 0.311 18167 7587 1 8 . 1 1 142 142 ILE C C 160 173.414 173.414 174.726 -1.312 18167 7588 1 8 . 1 1 142 142 ILE CA C 160 61.233 61.233 58.534 2.699 18167 7589 1 8 . 1 1 142 142 ILE CB C 160 40.184 40.184 38.170 2.014 18167 7590 1 8 . 1 1 142 142 ILE H H 160 9.129 9.129 9.354 -0.225 18167 7591 1 8 . 1 1 143 143 THR N N 161 122.266 122.266 123.675 -1.409 18167 7592 1 8 . 1 1 143 143 THR HA H 161 4.797 4.797 5.192 -0.395 18167 7593 1 8 . 1 1 143 143 THR C C 161 171.903 171.903 173.345 -1.442 18167 7594 1 8 . 1 1 143 143 THR CA C 161 61.666 61.666 61.136 0.530 18167 7595 1 8 . 1 1 143 143 THR CB C 161 70.025 70.025 71.391 -1.366 18167 7596 1 8 . 1 1 143 143 THR H H 161 8.818 8.818 8.235 0.583 18167 7597 1 8 . 1 1 144 144 PHE N N 162 130.742 130.742 127.011 3.731 18167 7598 1 8 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.756 0.034 18167 7599 1 8 . 1 1 144 144 PHE C C 162 173.404 173.404 173.718 -0.314 18167 7600 1 8 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.358 -1.138 18167 7601 1 8 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.235 -1.495 18167 7602 1 8 . 1 1 144 144 PHE H H 162 9.219 9.219 8.607 0.612 18167 7603 1 8 . 1 1 145 145 ASP N N 163 127.154 127.154 127.396 -0.242 18167 7604 1 8 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.404 -0.448 18167 7605 1 8 . 1 1 145 145 ASP C C 163 174.933 174.933 174.673 0.260 18167 7606 1 8 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.749 0.661 18167 7607 1 8 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.599 0.725 18167 7608 1 8 . 1 1 145 145 ASP H H 163 8.862 8.862 8.444 0.418 18167 7609 1 8 . 1 1 146 146 LEU N N 164 131.658 131.658 127.803 3.855 18167 7610 1 8 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.816 -0.221 18167 7611 1 8 . 1 1 146 146 LEU C C 164 174.511 174.511 175.680 -1.169 18167 7612 1 8 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.371 -0.400 18167 7613 1 8 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.586 -2.489 18167 7614 1 8 . 1 1 146 146 LEU H H 164 8.938 8.938 8.545 0.393 18167 7615 1 8 . 1 1 147 147 SER N N 165 114.966 114.966 118.166 -3.200 18167 7616 1 8 . 1 1 147 147 SER HA H 165 5.186 5.186 4.947 0.239 18167 7617 1 8 . 1 1 147 147 SER C C 165 173.417 173.417 173.353 0.064 18167 7618 1 8 . 1 1 147 147 SER CA C 165 56.600 56.600 57.651 -1.051 18167 7619 1 8 . 1 1 147 147 SER CB C 165 67.205 67.205 65.959 1.246 18167 7620 1 8 . 1 1 147 147 SER H H 165 8.995 8.995 8.749 0.246 18167 7621 1 8 . 1 1 148 148 THR N N 166 118.620 118.620 118.548 0.072 18167 7622 1 8 . 1 1 148 148 THR HA H 166 5.144 5.144 4.706 0.438 18167 7623 1 8 . 1 1 148 148 THR C C 166 173.151 173.151 172.743 0.408 18167 7624 1 8 . 1 1 148 148 THR CA C 166 60.362 60.362 61.712 -1.350 18167 7625 1 8 . 1 1 148 148 THR CB C 166 69.214 69.214 72.908 -3.694 18167 7626 1 8 . 1 1 148 148 THR H H 166 8.614 8.614 8.069 0.545 18167 7627 1 8 . 1 1 149 149 ALA N N 167 124.595 124.595 125.015 -0.420 18167 7628 1 8 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.306 0.299 18167 7629 1 8 . 1 1 149 149 ALA C C 167 179.460 179.460 178.485 0.975 18167 7630 1 8 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.857 -1.301 18167 7631 1 8 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.566 0.692 18167 7632 1 8 . 1 1 149 149 ALA H H 167 8.107 8.107 8.697 -0.590 18167 7633 1 8 . 1 1 150 150 GLU N N 168 123.906 123.906 122.127 1.779 18167 7634 1 8 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.996 0.502 18167 7635 1 8 . 1 1 150 150 GLU C C 168 178.587 178.587 178.077 0.510 18167 7636 1 8 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.348 -0.402 18167 7637 1 8 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.286 -0.579 18167 7638 1 8 . 1 1 150 150 GLU H H 168 8.471 8.471 9.068 -0.597 18167 7639 1 8 . 1 1 151 151 ASP N N 169 114.005 114.005 119.208 -5.203 18167 7640 1 8 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.441 0.042 18167 7641 1 8 . 1 1 151 151 ASP C C 169 177.260 177.260 177.527 -0.267 18167 7642 1 8 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.699 -0.781 18167 7643 1 8 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.925 -0.840 18167 7644 1 8 . 1 1 151 151 ASP H H 169 8.575 8.575 8.840 -0.265 18167 7645 1 8 . 1 1 152 152 ARG N N 170 118.283 118.283 116.975 1.308 18167 7646 1 8 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.601 -0.270 18167 7647 1 8 . 1 1 152 152 ARG C C 170 177.094 177.094 177.286 -0.192 18167 7648 1 8 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.641 0.195 18167 7649 1 8 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.101 0.883 18167 7650 1 8 . 1 1 152 152 ARG H H 170 7.663 7.663 7.568 0.095 18167 7651 1 8 . 1 1 153 153 TRP N N 171 122.336 122.336 123.176 -0.840 18167 7652 1 8 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.468 -0.558 18167 7653 1 8 . 1 1 153 153 TRP C C 171 175.820 175.820 176.029 -0.209 18167 7654 1 8 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.443 -0.567 18167 7655 1 8 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.241 0.167 18167 7656 1 8 . 1 1 153 153 TRP H H 171 7.689 7.689 7.791 -0.102 18167 7657 1 8 . 1 1 154 154 ASP N N 172 114.179 114.179 116.837 -2.658 18167 7658 1 8 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.513 -0.496 18167 7659 1 8 . 1 1 154 154 ASP C C 172 178.442 178.442 179.170 -0.728 18167 7660 1 8 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.853 0.649 18167 7661 1 8 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.714 -0.550 18167 7662 1 8 . 1 1 154 154 ASP H H 172 8.690 8.690 8.401 0.289 18167 7663 1 8 . 1 1 155 155 THR N N 173 114.661 114.661 116.773 -2.112 18167 7664 1 8 . 1 1 155 155 THR HA H 173 3.990 3.990 4.117 -0.127 18167 7665 1 8 . 1 1 155 155 THR C C 173 175.985 175.985 175.867 0.118 18167 7666 1 8 . 1 1 155 155 THR CA C 173 65.585 65.585 65.563 0.022 18167 7667 1 8 . 1 1 155 155 THR CB C 173 69.076 69.076 69.203 -0.127 18167 7668 1 8 . 1 1 155 155 THR H H 173 7.635 7.635 7.829 -0.194 18167 7669 1 8 . 1 1 156 156 VAL N N 174 113.687 113.687 113.712 -0.025 18167 7670 1 8 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.299 -0.022 18167 7671 1 8 . 1 1 156 156 VAL C C 174 176.185 176.185 175.205 0.980 18167 7672 1 8 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.264 1.180 18167 7673 1 8 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.977 2.176 18167 7674 1 8 . 1 1 156 156 VAL H H 174 7.447 7.447 7.687 -0.240 18167 7675 1 8 . 1 1 157 157 LYS N N 175 123.084 123.084 120.863 2.221 18167 7676 1 8 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.457 -0.613 18167 7677 1 8 . 1 1 157 157 LYS C C 175 177.321 177.321 177.898 -0.577 18167 7678 1 8 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.618 0.601 18167 7679 1 8 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.748 -1.553 18167 7680 1 8 . 1 1 157 157 LYS H H 175 7.548 7.548 7.135 0.413 18167 7681 1 8 . 1 1 158 158 SER N N 176 114.046 114.046 114.953 -0.907 18167 7682 1 8 . 1 1 158 158 SER HA H 176 3.820 3.820 4.172 -0.352 18167 7683 1 8 . 1 1 158 158 SER C C 176 176.927 176.927 176.312 0.615 18167 7684 1 8 . 1 1 158 158 SER CA C 176 61.600 61.600 59.989 1.611 18167 7685 1 8 . 1 1 158 158 SER CB C 176 62.048 62.048 62.708 -0.660 18167 7686 1 8 . 1 1 158 158 SER H H 176 8.161 8.161 8.032 0.129 18167 7687 1 8 . 1 1 159 159 LEU N N 177 126.125 126.125 122.117 4.008 18167 7688 1 8 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.730 0.443 18167 7689 1 8 . 1 1 159 159 LEU C C 177 178.403 178.403 177.902 0.501 18167 7690 1 8 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.418 0.284 18167 7691 1 8 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.333 -0.257 18167 7692 1 8 . 1 1 159 159 LEU H H 177 7.587 7.587 6.878 0.709 18167 7693 1 8 . 1 1 160 160 PHE N N 178 119.582 119.582 116.819 2.763 18167 7694 1 8 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.961 0.321 18167 7695 1 8 . 1 1 160 160 PHE C C 178 177.277 177.277 177.848 -0.571 18167 7696 1 8 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.655 -2.945 18167 7697 1 8 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.650 -2.110 18167 7698 1 8 . 1 1 160 160 PHE H H 178 9.067 9.067 6.646 2.421 18167 7699 1 8 . 1 1 161 161 ASP N N 179 120.599 120.599 118.918 1.681 18167 7700 1 8 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.415 -0.075 18167 7701 1 8 . 1 1 161 161 ASP C C 179 179.216 179.216 178.494 0.722 18167 7702 1 8 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.627 0.275 18167 7703 1 8 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.945 0.012 18167 7704 1 8 . 1 1 161 161 ASP H H 179 8.578 8.578 7.660 0.918 18167 7705 1 8 . 1 1 162 162 THR N N 180 118.300 118.300 117.552 0.748 18167 7706 1 8 . 1 1 162 162 THR HA H 180 3.849 3.849 4.002 -0.153 18167 7707 1 8 . 1 1 162 162 THR C C 180 176.875 176.875 176.468 0.407 18167 7708 1 8 . 1 1 162 162 THR CA C 180 66.977 66.977 67.313 -0.336 18167 7709 1 8 . 1 1 162 162 THR CB C 180 68.886 68.886 68.590 0.296 18167 7710 1 8 . 1 1 162 162 THR H H 180 7.771 7.771 8.313 -0.542 18167 7711 1 8 . 1 1 163 163 VAL N N 181 123.234 123.234 122.138 1.096 18167 7712 1 8 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.673 -0.079 18167 7713 1 8 . 1 1 163 163 VAL C C 181 180.016 180.016 177.696 2.320 18167 7714 1 8 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.291 0.465 18167 7715 1 8 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.088 0.624 18167 7716 1 8 . 1 1 163 163 VAL H H 181 8.831 8.831 8.259 0.572 18167 7717 1 8 . 1 1 164 164 ALA N N 182 124.654 124.654 120.671 3.983 18167 7718 1 8 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.571 0.691 18167 7719 1 8 . 1 1 164 164 ALA C C 182 180.510 180.510 179.763 0.747 18167 7720 1 8 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.096 1.363 18167 7721 1 8 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.081 -0.518 18167 7722 1 8 . 1 1 164 164 ALA H H 182 9.662 9.662 7.714 1.948 18167 7723 1 8 . 1 1 165 165 SER N N 183 112.325 112.325 113.423 -1.098 18167 7724 1 8 . 1 1 165 165 SER HA H 183 4.173 4.173 4.370 -0.197 18167 7725 1 8 . 1 1 165 165 SER C C 183 173.817 173.817 176.374 -2.557 18167 7726 1 8 . 1 1 165 165 SER CA C 183 61.155 61.155 60.668 0.487 18167 7727 1 8 . 1 1 165 165 SER CB C 183 63.140 63.140 63.308 -0.168 18167 7728 1 8 . 1 1 165 165 SER H H 183 7.988 7.988 8.180 -0.192 18167 7729 1 8 . 1 1 166 166 SER N N 184 117.332 117.332 116.048 1.284 18167 7730 1 8 . 1 1 166 166 SER HA H 184 4.356 4.356 4.426 -0.070 18167 7731 1 8 . 1 1 166 166 SER C C 184 174.163 174.163 175.772 -1.609 18167 7732 1 8 . 1 1 166 166 SER CA C 184 59.502 59.502 59.645 -0.143 18167 7733 1 8 . 1 1 166 166 SER CB C 184 63.416 63.416 63.496 -0.080 18167 7734 1 8 . 1 1 166 166 SER H H 184 7.766 7.766 8.187 -0.421 18167 7735 1 8 . 1 1 167 167 PHE N N 185 124.827 124.827 122.389 2.438 18167 7736 1 8 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.866 0.297 18167 7737 1 8 . 1 1 167 167 PHE C C 185 174.545 174.545 175.071 -0.526 18167 7738 1 8 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.407 -0.905 18167 7739 1 8 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.970 -1.580 18167 7740 1 8 . 1 1 167 167 PHE H H 185 7.101 7.101 7.627 -0.526 18167 7741 1 8 . 1 1 168 168 HIS N N 186 127.050 127.050 120.609 6.441 18167 7742 1 8 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.577 0.576 18167 7743 1 8 . 1 1 168 168 HIS C C 186 172.836 172.836 173.343 -0.507 18167 7744 1 8 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.754 -0.598 18167 7745 1 8 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.954 -1.951 18167 7746 1 8 . 1 1 168 168 HIS H H 186 8.645 8.645 8.733 -0.088 18167 7747 1 8 . 1 1 169 169 VAL N N 187 114.268 114.268 119.282 -5.014 18167 7748 1 8 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.203 -0.043 18167 7749 1 8 . 1 1 169 169 VAL C C 187 174.449 174.449 174.058 0.391 18167 7750 1 8 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.255 -0.902 18167 7751 1 8 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.968 -1.559 18167 7752 1 8 . 1 1 169 169 VAL H H 187 7.466 7.466 7.429 0.037 18167 7753 1 9 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.482 -0.010 18167 7754 1 9 . 1 1 2 2 PRO C C 20 177.006 177.006 176.734 0.272 18167 7755 1 9 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.508 0.532 18167 7756 1 9 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.604 -0.540 18167 7757 1 9 . 1 1 3 3 LEU N N 21 122.423 122.423 121.518 0.905 18167 7758 1 9 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.339 0.002 18167 7759 1 9 . 1 1 3 3 LEU C C 21 177.928 177.928 178.228 -0.300 18167 7760 1 9 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.194 0.124 18167 7761 1 9 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.166 0.100 18167 7762 1 9 . 1 1 3 3 LEU H H 21 8.551 8.551 8.112 0.439 18167 7763 1 9 . 1 1 4 4 GLY N N 22 109.759 109.759 110.270 -0.511 18167 7764 1 9 . 1 1 4 4 GLY C C 22 174.309 174.309 175.487 -1.178 18167 7765 1 9 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.184 0.046 18167 7766 1 9 . 1 1 4 4 GLY H H 22 8.423 8.423 8.747 -0.324 18167 7767 1 9 . 1 1 5 5 SER N N 23 115.538 115.538 114.321 1.217 18167 7768 1 9 . 1 1 5 5 SER HA H 23 4.488 4.488 4.254 0.234 18167 7769 1 9 . 1 1 5 5 SER C C 23 174.841 174.841 175.241 -0.400 18167 7770 1 9 . 1 1 5 5 SER CA C 23 58.329 58.329 60.132 -1.803 18167 7771 1 9 . 1 1 5 5 SER CB C 23 63.957 63.957 63.368 0.589 18167 7772 1 9 . 1 1 5 5 SER H H 23 8.233 8.233 8.771 -0.538 18167 7773 1 9 . 1 1 6 6 CYS N N 24 120.699 120.699 116.911 3.788 18167 7774 1 9 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.713 -0.171 18167 7775 1 9 . 1 1 6 6 CYS C C 24 175.079 175.079 174.931 0.148 18167 7776 1 9 . 1 1 6 6 CYS CA C 24 58.717 58.717 57.646 1.071 18167 7777 1 9 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.972 -1.003 18167 7778 1 9 . 1 1 6 6 CYS H H 24 8.493 8.493 7.785 0.708 18167 7779 1 9 . 1 1 7 7 GLY N N 25 110.895 110.895 110.596 0.299 18167 7780 1 9 . 1 1 7 7 GLY C C 25 174.402 174.402 173.997 0.405 18167 7781 1 9 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.688 -0.210 18167 7782 1 9 . 1 1 7 7 GLY H H 25 8.449 8.449 7.833 0.616 18167 7783 1 9 . 1 1 8 8 GLY N N 26 108.733 108.733 108.244 0.489 18167 7784 1 9 . 1 1 8 8 GLY C C 26 174.113 174.113 173.390 0.723 18167 7785 1 9 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.963 0.217 18167 7786 1 9 . 1 1 8 8 GLY H H 26 8.236 8.236 8.247 -0.011 18167 7787 1 9 . 1 1 9 9 VAL N N 27 118.903 118.903 122.383 -3.480 18167 7788 1 9 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.508 -0.384 18167 7789 1 9 . 1 1 9 9 VAL C C 27 176.630 176.630 176.414 0.216 18167 7790 1 9 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.731 0.654 18167 7791 1 9 . 1 1 9 9 VAL CB C 27 32.521 32.521 34.166 -1.645 18167 7792 1 9 . 1 1 9 9 VAL H H 27 8.019 8.019 8.106 -0.087 18167 7793 1 9 . 1 1 10 10 GLY N N 28 112.317 112.317 112.855 -0.538 18167 7794 1 9 . 1 1 10 10 GLY C C 28 174.378 174.378 174.138 0.240 18167 7795 1 9 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.178 1.167 18167 7796 1 9 . 1 1 10 10 GLY H H 28 8.483 8.483 8.270 0.213 18167 7797 1 9 . 1 1 11 11 ILE N N 29 119.788 119.788 118.147 1.641 18167 7798 1 9 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.349 -0.268 18167 7799 1 9 . 1 1 11 11 ILE C C 29 176.168 176.168 176.327 -0.159 18167 7800 1 9 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.875 0.537 18167 7801 1 9 . 1 1 11 11 ILE CB C 29 38.557 38.557 38.706 -0.149 18167 7802 1 9 . 1 1 11 11 ILE H H 29 7.948 7.948 7.998 -0.050 18167 7803 1 9 . 1 1 12 12 ALA N N 30 126.009 126.009 130.645 -4.636 18167 7804 1 9 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.190 0.098 18167 7805 1 9 . 1 1 12 12 ALA C C 30 177.504 177.504 177.391 0.113 18167 7806 1 9 . 1 1 12 12 ALA CA C 30 52.865 52.865 53.301 -0.436 18167 7807 1 9 . 1 1 12 12 ALA CB C 30 18.966 18.966 19.019 -0.053 18167 7808 1 9 . 1 1 12 12 ALA H H 30 8.247 8.247 8.499 -0.252 18167 7809 1 9 . 1 1 13 13 SER N N 31 113.949 113.949 113.947 0.002 18167 7810 1 9 . 1 1 13 13 SER HA H 31 4.392 4.392 4.559 -0.167 18167 7811 1 9 . 1 1 13 13 SER C C 31 173.644 173.644 173.428 0.216 18167 7812 1 9 . 1 1 13 13 SER CA C 31 58.329 58.329 57.562 0.767 18167 7813 1 9 . 1 1 13 13 SER CB C 31 63.609 63.609 66.028 -2.420 18167 7814 1 9 . 1 1 13 13 SER H H 31 8.045 8.045 8.203 -0.158 18167 7815 1 9 . 1 1 14 14 LEU N N 32 122.240 122.240 123.508 -1.268 18167 7816 1 9 . 1 1 14 14 LEU HA H 32 4.545 4.545 3.981 0.564 18167 7817 1 9 . 1 1 14 14 LEU C C 32 176.001 176.001 176.725 -0.724 18167 7818 1 9 . 1 1 14 14 LEU CA C 32 53.877 53.877 55.482 -1.605 18167 7819 1 9 . 1 1 14 14 LEU CB C 32 44.245 44.245 42.150 2.095 18167 7820 1 9 . 1 1 14 14 LEU H H 32 7.749 7.749 8.280 -0.531 18167 7821 1 9 . 1 1 15 15 GLN N N 33 120.685 120.685 121.936 -1.251 18167 7822 1 9 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.691 -0.309 18167 7823 1 9 . 1 1 15 15 GLN C C 33 172.944 172.944 173.559 -0.615 18167 7824 1 9 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.736 -0.275 18167 7825 1 9 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.609 -0.866 18167 7826 1 9 . 1 1 15 15 GLN H H 33 8.780 8.780 8.162 0.618 18167 7827 1 9 . 1 1 16 16 ARG N N 34 120.341 120.341 118.054 2.287 18167 7828 1 9 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.726 0.178 18167 7829 1 9 . 1 1 16 16 ARG C C 34 175.846 175.846 174.647 1.199 18167 7830 1 9 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.735 0.966 18167 7831 1 9 . 1 1 16 16 ARG CB C 34 32.742 32.742 33.068 -0.326 18167 7832 1 9 . 1 1 16 16 ARG H H 34 8.274 8.274 8.358 -0.084 18167 7833 1 9 . 1 1 17 17 TYR N N 35 128.733 128.733 124.274 4.459 18167 7834 1 9 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.697 -0.139 18167 7835 1 9 . 1 1 17 17 TYR C C 35 173.307 173.307 173.325 -0.018 18167 7836 1 9 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.747 -0.014 18167 7837 1 9 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.431 0.152 18167 7838 1 9 . 1 1 17 17 TYR H H 35 9.104 9.104 8.207 0.897 18167 7839 1 9 . 1 1 18 18 SER N N 36 119.150 119.150 120.624 -1.474 18167 7840 1 9 . 1 1 18 18 SER HA H 36 4.786 4.786 4.965 -0.179 18167 7841 1 9 . 1 1 18 18 SER C C 36 172.002 172.002 172.444 -0.442 18167 7842 1 9 . 1 1 18 18 SER CA C 36 56.341 56.341 56.475 -0.134 18167 7843 1 9 . 1 1 18 18 SER CB C 36 65.327 65.327 66.541 -1.214 18167 7844 1 9 . 1 1 18 18 SER H H 36 7.398 7.398 7.803 -0.405 18167 7845 1 9 . 1 1 19 19 ASP N N 37 124.935 124.935 123.025 1.910 18167 7846 1 9 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.994 -0.323 18167 7847 1 9 . 1 1 19 19 ASP C C 37 176.089 176.089 176.939 -0.850 18167 7848 1 9 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.947 -1.138 18167 7849 1 9 . 1 1 19 19 ASP CB C 37 42.465 42.465 44.182 -1.718 18167 7850 1 9 . 1 1 19 19 ASP H H 37 8.607 8.607 8.355 0.252 18167 7851 1 9 . 1 1 20 20 THR N N 38 117.032 117.032 114.004 3.028 18167 7852 1 9 . 1 1 20 20 THR HA H 38 4.316 4.316 3.910 0.406 18167 7853 1 9 . 1 1 20 20 THR C C 38 175.794 175.794 175.459 0.335 18167 7854 1 9 . 1 1 20 20 THR CA C 38 63.123 63.123 64.894 -1.771 18167 7855 1 9 . 1 1 20 20 THR CB C 38 68.905 68.905 68.907 -0.002 18167 7856 1 9 . 1 1 20 20 THR H H 38 8.470 8.470 8.576 -0.106 18167 7857 1 9 . 1 1 21 21 LYS N N 39 124.893 124.893 120.874 4.019 18167 7858 1 9 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.131 0.058 18167 7859 1 9 . 1 1 21 21 LYS C C 39 177.678 177.678 176.902 0.776 18167 7860 1 9 . 1 1 21 21 LYS CA C 39 58.795 58.795 58.688 0.107 18167 7861 1 9 . 1 1 21 21 LYS CB C 39 31.668 31.668 31.758 -0.090 18167 7862 1 9 . 1 1 21 21 LYS H H 39 8.201 8.201 8.121 0.080 18167 7863 1 9 . 1 1 22 22 ASP N N 40 118.183 118.183 115.670 2.513 18167 7864 1 9 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.591 0.230 18167 7865 1 9 . 1 1 22 22 ASP C C 40 176.752 176.752 176.817 -0.065 18167 7866 1 9 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.127 0.752 18167 7867 1 9 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.932 0.937 18167 7868 1 9 . 1 1 22 22 ASP H H 40 8.480 8.480 8.197 0.283 18167 7869 1 9 . 1 1 23 23 GLY N N 41 108.978 108.978 107.782 1.196 18167 7870 1 9 . 1 1 23 23 GLY C C 41 172.396 172.396 173.321 -0.925 18167 7871 1 9 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.751 1.365 18167 7872 1 9 . 1 1 23 23 GLY H H 41 7.421 7.421 8.317 -0.896 18167 7873 1 9 . 1 1 24 24 TYR N N 42 112.046 112.046 116.277 -4.231 18167 7874 1 9 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.863 -0.469 18167 7875 1 9 . 1 1 24 24 TYR C C 42 173.028 173.028 172.908 0.120 18167 7876 1 9 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.673 1.159 18167 7877 1 9 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.631 0.223 18167 7878 1 9 . 1 1 24 24 TYR H H 42 7.506 7.506 7.725 -0.219 18167 7879 1 9 . 1 1 25 25 GLU N N 43 117.470 117.470 120.292 -2.822 18167 7880 1 9 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.070 0.398 18167 7881 1 9 . 1 1 25 25 GLU C C 43 173.311 173.311 174.343 -1.032 18167 7882 1 9 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.178 -0.947 18167 7883 1 9 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.076 -0.451 18167 7884 1 9 . 1 1 25 25 GLU H H 43 8.934 8.934 8.911 0.023 18167 7885 1 9 . 1 1 26 26 PHE N N 44 112.795 112.795 117.102 -4.307 18167 7886 1 9 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.231 -0.389 18167 7887 1 9 . 1 1 26 26 PHE C C 44 172.776 172.776 173.267 -0.491 18167 7888 1 9 . 1 1 26 26 PHE CA C 44 56.616 56.616 57.121 -0.505 18167 7889 1 9 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.405 -0.956 18167 7890 1 9 . 1 1 26 26 PHE H H 44 8.532 8.532 8.454 0.078 18167 7891 1 9 . 1 1 27 27 LEU N N 45 119.784 119.784 121.435 -1.651 18167 7892 1 9 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.876 0.644 18167 7893 1 9 . 1 1 27 27 LEU C C 45 174.965 174.965 176.399 -1.434 18167 7894 1 9 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.211 -1.437 18167 7895 1 9 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.438 1.212 18167 7896 1 9 . 1 1 27 27 LEU H H 45 9.241 9.241 8.718 0.523 18167 7897 1 9 . 1 1 28 28 TYR N N 46 113.008 113.008 117.398 -4.390 18167 7898 1 9 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.742 0.171 18167 7899 1 9 . 1 1 28 28 TYR C C 46 171.354 171.354 171.891 -0.537 18167 7900 1 9 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.638 0.119 18167 7901 1 9 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.181 -0.034 18167 7902 1 9 . 1 1 28 28 TYR H H 46 8.951 8.951 7.877 1.074 18167 7903 1 9 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.838 0.169 18167 7904 1 9 . 1 1 29 29 PRO C C 47 176.165 176.165 175.513 0.652 18167 7905 1 9 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.500 0.818 18167 7906 1 9 . 1 1 29 29 PRO CB C 47 31.340 31.340 31.949 -0.609 18167 7907 1 9 . 1 1 30 30 ASN N N 48 119.923 119.923 118.655 1.268 18167 7908 1 9 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.432 -0.169 18167 7909 1 9 . 1 1 30 30 ASN C C 48 176.347 176.347 176.469 -0.122 18167 7910 1 9 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.354 1.847 18167 7911 1 9 . 1 1 30 30 ASN CB C 48 38.588 38.588 39.202 -0.614 18167 7912 1 9 . 1 1 30 30 ASN H H 48 8.163 8.163 8.057 0.106 18167 7913 1 9 . 1 1 31 31 GLY N N 49 111.442 111.442 109.783 1.659 18167 7914 1 9 . 1 1 31 31 GLY C C 49 174.985 174.985 174.834 0.151 18167 7915 1 9 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.218 0.174 18167 7916 1 9 . 1 1 31 31 GLY H H 49 8.702 8.702 8.755 -0.053 18167 7917 1 9 . 1 1 32 32 TRP N N 50 122.100 122.100 120.410 1.690 18167 7918 1 9 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.186 0.156 18167 7919 1 9 . 1 1 32 32 TRP C C 50 176.370 176.370 177.476 -1.106 18167 7920 1 9 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.604 0.689 18167 7921 1 9 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.141 -0.037 18167 7922 1 9 . 1 1 32 32 TRP H H 50 8.008 8.008 7.695 0.313 18167 7923 1 9 . 1 1 33 33 ILE N N 51 117.163 117.163 119.148 -1.985 18167 7924 1 9 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.841 0.114 18167 7925 1 9 . 1 1 33 33 ILE C C 51 175.549 175.549 174.777 0.772 18167 7926 1 9 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.868 -0.640 18167 7927 1 9 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.077 1.012 18167 7928 1 9 . 1 1 33 33 ILE H H 51 9.249 9.249 8.633 0.616 18167 7929 1 9 . 1 1 34 34 GLY N N 52 111.812 111.812 111.106 0.706 18167 7930 1 9 . 1 1 34 34 GLY C C 52 173.956 173.956 173.849 0.107 18167 7931 1 9 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.894 1.510 18167 7932 1 9 . 1 1 34 34 GLY H H 52 8.787 8.787 8.349 0.438 18167 7933 1 9 . 1 1 35 35 VAL N N 53 122.174 122.174 125.005 -2.831 18167 7934 1 9 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.210 -0.066 18167 7935 1 9 . 1 1 35 35 VAL C C 53 174.921 174.921 175.173 -0.252 18167 7936 1 9 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.323 0.334 18167 7937 1 9 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.783 0.257 18167 7938 1 9 . 1 1 35 35 VAL H H 53 7.763 7.763 8.226 -0.463 18167 7939 1 9 . 1 1 36 36 ASP N N 54 125.424 125.424 126.532 -1.108 18167 7940 1 9 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.635 -0.046 18167 7941 1 9 . 1 1 36 36 ASP C C 54 176.890 176.890 175.963 0.927 18167 7942 1 9 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.419 0.031 18167 7943 1 9 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.235 -0.062 18167 7944 1 9 . 1 1 36 36 ASP H H 54 8.425 8.425 8.552 -0.127 18167 7945 1 9 . 1 1 37 37 VAL N N 55 120.335 120.335 119.252 1.083 18167 7946 1 9 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.417 -0.249 18167 7947 1 9 . 1 1 37 37 VAL C C 55 176.785 176.785 175.455 1.330 18167 7948 1 9 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.179 0.740 18167 7949 1 9 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.274 -0.484 18167 7950 1 9 . 1 1 37 37 VAL H H 55 8.215 8.215 8.206 0.009 18167 7951 1 9 . 1 1 38 38 LYS N N 56 124.881 124.881 123.039 1.842 18167 7952 1 9 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.272 -0.070 18167 7953 1 9 . 1 1 38 38 LYS C C 56 177.828 177.828 177.951 -0.123 18167 7954 1 9 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.667 0.335 18167 7955 1 9 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.400 -0.763 18167 7956 1 9 . 1 1 38 38 LYS H H 56 8.331 8.331 8.110 0.221 18167 7957 1 9 . 1 1 39 39 GLY N N 57 111.152 111.152 112.091 -0.939 18167 7958 1 9 . 1 1 39 39 GLY C C 57 174.253 174.253 174.138 0.115 18167 7959 1 9 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.841 0.519 18167 7960 1 9 . 1 1 39 39 GLY H H 57 8.651 8.651 8.969 -0.318 18167 7961 1 9 . 1 1 40 40 ALA N N 58 123.085 123.085 122.521 0.564 18167 7962 1 9 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.421 -0.038 18167 7963 1 9 . 1 1 40 40 ALA C C 58 177.125 177.125 177.243 -0.118 18167 7964 1 9 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.299 1.055 18167 7965 1 9 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.679 -0.062 18167 7966 1 9 . 1 1 40 40 ALA H H 58 7.839 7.839 7.539 0.300 18167 7967 1 9 . 1 1 41 41 SER N N 59 115.088 115.088 115.435 -0.347 18167 7968 1 9 . 1 1 41 41 SER HA H 59 4.688 4.688 4.420 0.268 18167 7969 1 9 . 1 1 41 41 SER C C 59 171.885 171.885 173.525 -1.640 18167 7970 1 9 . 1 1 41 41 SER CA C 59 56.951 56.951 57.698 -0.747 18167 7971 1 9 . 1 1 41 41 SER CB C 59 63.123 63.123 62.955 0.168 18167 7972 1 9 . 1 1 41 41 SER H H 59 8.186 8.186 8.270 -0.084 18167 7973 1 9 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.403 -0.054 18167 7974 1 9 . 1 1 42 42 PRO C C 60 177.660 177.660 177.182 0.478 18167 7975 1 9 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.908 0.317 18167 7976 1 9 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.685 -0.144 18167 7977 1 9 . 1 1 43 43 GLY N N 61 111.997 111.997 111.618 0.379 18167 7978 1 9 . 1 1 43 43 GLY C C 61 174.070 174.070 174.138 -0.068 18167 7979 1 9 . 1 1 43 43 GLY CA C 61 45.614 45.614 45.083 0.531 18167 7980 1 9 . 1 1 43 43 GLY H H 61 8.730 8.730 8.492 0.238 18167 7981 1 9 . 1 1 44 44 VAL N N 62 120.539 120.539 121.545 -1.006 18167 7982 1 9 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.807 0.470 18167 7983 1 9 . 1 1 44 44 VAL C C 62 175.277 175.277 174.957 0.320 18167 7984 1 9 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.557 -1.630 18167 7985 1 9 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.547 0.008 18167 7986 1 9 . 1 1 44 44 VAL H H 62 7.573 7.573 7.387 0.186 18167 7987 1 9 . 1 1 45 45 ASP N N 63 128.619 128.619 127.669 0.950 18167 7988 1 9 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.937 -0.030 18167 7989 1 9 . 1 1 45 45 ASP C C 63 176.177 176.177 175.322 0.855 18167 7990 1 9 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.718 1.137 18167 7991 1 9 . 1 1 45 45 ASP CB C 63 44.275 44.275 44.080 0.195 18167 7992 1 9 . 1 1 45 45 ASP H H 63 9.084 9.084 8.247 0.837 18167 7993 1 9 . 1 1 46 46 VAL N N 64 115.687 115.687 117.020 -1.333 18167 7994 1 9 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.304 0.006 18167 7995 1 9 . 1 1 46 46 VAL C C 64 172.853 172.853 173.753 -0.900 18167 7996 1 9 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.667 0.504 18167 7997 1 9 . 1 1 46 46 VAL CB C 64 35.908 35.908 36.161 -0.253 18167 7998 1 9 . 1 1 46 46 VAL H H 64 7.314 7.314 7.330 -0.016 18167 7999 1 9 . 1 1 47 47 VAL N N 65 124.933 124.933 116.728 8.205 18167 8000 1 9 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.659 0.397 18167 8001 1 9 . 1 1 47 47 VAL C C 65 175.266 175.266 173.824 1.442 18167 8002 1 9 . 1 1 47 47 VAL CA C 65 61.082 61.082 60.025 1.057 18167 8003 1 9 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.566 2.101 18167 8004 1 9 . 1 1 47 47 VAL H H 65 8.146 8.146 7.973 0.173 18167 8005 1 9 . 1 1 48 48 PHE N N 66 122.916 122.916 123.592 -0.676 18167 8006 1 9 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.371 0.120 18167 8007 1 9 . 1 1 48 48 PHE C C 66 174.371 174.371 174.960 -0.589 18167 8008 1 9 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.415 0.114 18167 8009 1 9 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.445 1.714 18167 8010 1 9 . 1 1 48 48 PHE H H 66 8.469 8.469 8.426 0.043 18167 8011 1 9 . 1 1 49 49 ARG N N 67 116.381 116.381 120.978 -4.597 18167 8012 1 9 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.548 -0.043 18167 8013 1 9 . 1 1 49 49 ARG C C 67 173.455 173.455 174.263 -0.808 18167 8014 1 9 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.539 -0.705 18167 8015 1 9 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.068 0.830 18167 8016 1 9 . 1 1 49 49 ARG H H 67 9.271 9.271 8.750 0.521 18167 8017 1 9 . 1 1 50 50 ASP N N 68 121.066 121.066 122.883 -1.817 18167 8018 1 9 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.353 -0.302 18167 8019 1 9 . 1 1 50 50 ASP C C 68 176.670 176.670 175.788 0.882 18167 8020 1 9 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.394 1.222 18167 8021 1 9 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.318 1.583 18167 8022 1 9 . 1 1 50 50 ASP H H 68 7.165 7.165 7.921 -0.756 18167 8023 1 9 . 1 1 51 51 LEU N N 69 124.078 124.078 126.645 -2.567 18167 8024 1 9 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.101 -0.076 18167 8025 1 9 . 1 1 51 51 LEU C C 69 177.463 177.463 177.882 -0.419 18167 8026 1 9 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.873 -0.465 18167 8027 1 9 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.370 0.779 18167 8028 1 9 . 1 1 51 51 LEU H H 69 8.314 8.314 8.040 0.274 18167 8029 1 9 . 1 1 52 52 ILE N N 70 118.341 118.341 116.863 1.478 18167 8030 1 9 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.942 0.131 18167 8031 1 9 . 1 1 52 52 ILE C C 70 177.093 177.093 176.768 0.325 18167 8032 1 9 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.133 -1.275 18167 8033 1 9 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.391 1.229 18167 8034 1 9 . 1 1 52 52 ILE H H 70 8.178 8.178 8.182 -0.004 18167 8035 1 9 . 1 1 53 53 GLU N N 71 122.254 122.254 117.783 4.471 18167 8036 1 9 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.515 -0.131 18167 8037 1 9 . 1 1 53 53 GLU C C 71 176.084 176.084 176.313 -0.229 18167 8038 1 9 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.272 -0.464 18167 8039 1 9 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.261 -1.503 18167 8040 1 9 . 1 1 53 53 GLU H H 71 8.974 8.974 8.218 0.756 18167 8041 1 9 . 1 1 54 54 ARG N N 72 121.414 121.414 123.536 -2.122 18167 8042 1 9 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.023 -0.041 18167 8043 1 9 . 1 1 54 54 ARG C C 72 176.478 176.478 177.234 -0.756 18167 8044 1 9 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.914 -0.674 18167 8045 1 9 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.399 -0.435 18167 8046 1 9 . 1 1 54 54 ARG H H 72 8.052 8.052 8.594 -0.542 18167 8047 1 9 . 1 1 55 55 ASP N N 73 117.425 117.425 117.964 -0.539 18167 8048 1 9 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.503 -0.052 18167 8049 1 9 . 1 1 55 55 ASP C C 73 173.783 173.783 175.964 -2.181 18167 8050 1 9 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.981 -0.907 18167 8051 1 9 . 1 1 55 55 ASP CB C 73 40.742 40.742 41.111 -0.369 18167 8052 1 9 . 1 1 55 55 ASP H H 73 8.455 8.455 8.352 0.103 18167 8053 1 9 . 1 1 56 56 GLU N N 74 124.050 124.050 119.405 4.645 18167 8054 1 9 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.346 1.153 18167 8055 1 9 . 1 1 56 56 GLU C C 74 174.110 174.110 175.102 -0.992 18167 8056 1 9 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.387 0.091 18167 8057 1 9 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.382 2.064 18167 8058 1 9 . 1 1 56 56 GLU H H 74 7.773 7.773 7.465 0.308 18167 8059 1 9 . 1 1 57 57 ASN N N 75 119.794 119.794 122.168 -2.374 18167 8060 1 9 . 1 1 57 57 ASN HA H 75 4.763 4.763 5.008 -0.245 18167 8061 1 9 . 1 1 57 57 ASN C C 75 171.893 171.893 173.022 -1.129 18167 8062 1 9 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.777 0.186 18167 8063 1 9 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.058 0.311 18167 8064 1 9 . 1 1 57 57 ASN H H 75 8.891 8.891 8.692 0.199 18167 8065 1 9 . 1 1 58 58 LEU N N 76 116.438 116.438 113.319 3.119 18167 8066 1 9 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.109 0.232 18167 8067 1 9 . 1 1 58 58 LEU C C 76 174.630 174.630 174.239 0.391 18167 8068 1 9 . 1 1 58 58 LEU CA C 76 52.828 52.828 55.016 -2.188 18167 8069 1 9 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.675 0.204 18167 8070 1 9 . 1 1 58 58 LEU H H 76 9.166 9.166 8.575 0.591 18167 8071 1 9 . 1 1 59 59 SER N N 77 114.543 114.543 114.160 0.383 18167 8072 1 9 . 1 1 59 59 SER HA H 77 5.432 5.432 4.928 0.504 18167 8073 1 9 . 1 1 59 59 SER C C 77 172.602 172.602 172.996 -0.394 18167 8074 1 9 . 1 1 59 59 SER CA C 77 56.593 56.593 56.983 -0.390 18167 8075 1 9 . 1 1 59 59 SER CB C 77 66.720 66.720 65.509 1.211 18167 8076 1 9 . 1 1 59 59 SER H H 77 8.352 8.352 9.114 -0.762 18167 8077 1 9 . 1 1 60 60 VAL N N 78 122.017 122.017 126.695 -4.678 18167 8078 1 9 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.287 0.682 18167 8079 1 9 . 1 1 60 60 VAL C C 78 174.861 174.861 174.518 0.343 18167 8080 1 9 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.219 -0.035 18167 8081 1 9 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.261 0.051 18167 8082 1 9 . 1 1 60 60 VAL H H 78 8.306 8.306 8.381 -0.075 18167 8083 1 9 . 1 1 61 61 ILE N N 79 128.458 128.458 128.003 0.455 18167 8084 1 9 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.667 0.054 18167 8085 1 9 . 1 1 61 61 ILE C C 79 175.639 175.639 174.478 1.161 18167 8086 1 9 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.390 -0.146 18167 8087 1 9 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.266 1.020 18167 8088 1 9 . 1 1 61 61 ILE H H 79 9.193 9.193 7.857 1.336 18167 8089 1 9 . 1 1 62 62 ILE N N 80 129.957 129.957 127.653 2.304 18167 8090 1 9 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.994 0.048 18167 8091 1 9 . 1 1 62 62 ILE C C 80 175.727 175.727 175.028 0.699 18167 8092 1 9 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.810 0.347 18167 8093 1 9 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.576 -0.799 18167 8094 1 9 . 1 1 62 62 ILE H H 80 9.140 9.140 9.123 0.017 18167 8095 1 9 . 1 1 63 63 SER N N 81 122.084 122.084 120.941 1.143 18167 8096 1 9 . 1 1 63 63 SER HA H 81 4.878 4.878 4.755 0.123 18167 8097 1 9 . 1 1 63 63 SER C C 81 172.933 172.933 172.148 0.785 18167 8098 1 9 . 1 1 63 63 SER CA C 81 56.689 56.689 57.282 -0.593 18167 8099 1 9 . 1 1 63 63 SER CB C 81 65.862 65.862 66.756 -0.894 18167 8100 1 9 . 1 1 63 63 SER H H 81 9.079 9.079 8.924 0.155 18167 8101 1 9 . 1 1 64 64 GLU N N 82 121.983 121.983 121.583 0.400 18167 8102 1 9 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.833 -0.241 18167 8103 1 9 . 1 1 64 64 GLU C C 82 176.501 176.501 176.123 0.378 18167 8104 1 9 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.515 2.326 18167 8105 1 9 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.734 -0.224 18167 8106 1 9 . 1 1 64 64 GLU H H 82 8.664 8.664 8.431 0.233 18167 8107 1 9 . 1 1 65 65 ILE N N 83 121.194 121.194 120.366 0.828 18167 8108 1 9 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.526 0.051 18167 8109 1 9 . 1 1 65 65 ILE C C 83 173.233 173.233 174.546 -1.313 18167 8110 1 9 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.325 0.473 18167 8111 1 9 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.463 2.025 18167 8112 1 9 . 1 1 65 65 ILE H H 83 8.271 8.271 7.907 0.364 18167 8113 1 9 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.510 -0.059 18167 8114 1 9 . 1 1 66 66 PRO C C 84 177.697 177.697 177.791 -0.094 18167 8115 1 9 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.659 0.538 18167 8116 1 9 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.451 -0.386 18167 8117 1 9 . 1 1 67 67 SER N N 85 116.018 116.018 118.597 -2.579 18167 8118 1 9 . 1 1 67 67 SER HA H 85 4.149 4.149 4.178 -0.029 18167 8119 1 9 . 1 1 67 67 SER C C 85 174.387 174.387 174.891 -0.504 18167 8120 1 9 . 1 1 67 67 SER CA C 85 60.348 60.348 60.617 -0.269 18167 8121 1 9 . 1 1 67 67 SER CB C 85 63.402 63.402 63.250 0.152 18167 8122 1 9 . 1 1 67 67 SER H H 85 8.465 8.465 8.683 -0.218 18167 8123 1 9 . 1 1 68 68 ASP N N 86 118.568 118.568 119.274 -0.706 18167 8124 1 9 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.559 -0.001 18167 8125 1 9 . 1 1 68 68 ASP C C 86 175.732 175.732 175.901 -0.169 18167 8126 1 9 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.290 -1.480 18167 8127 1 9 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.905 -0.687 18167 8128 1 9 . 1 1 68 68 ASP H H 86 8.531 8.531 8.418 0.113 18167 8129 1 9 . 1 1 69 69 LYS N N 87 119.225 119.225 117.827 1.398 18167 8130 1 9 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.602 0.080 18167 8131 1 9 . 1 1 69 69 LYS C C 87 175.814 175.814 174.986 0.828 18167 8132 1 9 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.307 -0.446 18167 8133 1 9 . 1 1 69 69 LYS CB C 87 33.706 33.706 36.018 -2.312 18167 8134 1 9 . 1 1 69 69 LYS H H 87 7.653 7.653 7.516 0.137 18167 8135 1 9 . 1 1 70 70 THR N N 88 113.175 113.175 110.712 2.463 18167 8136 1 9 . 1 1 70 70 THR HA H 88 4.529 4.529 4.501 0.028 18167 8137 1 9 . 1 1 70 70 THR C C 88 175.278 175.278 175.632 -0.354 18167 8138 1 9 . 1 1 70 70 THR CA C 88 60.699 60.699 59.484 1.215 18167 8139 1 9 . 1 1 70 70 THR CB C 88 70.710 70.710 71.665 -0.954 18167 8140 1 9 . 1 1 70 70 THR H H 88 8.608 8.608 8.127 0.481 18167 8141 1 9 . 1 1 71 71 LEU N N 89 121.978 121.978 120.955 1.023 18167 8142 1 9 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.932 0.005 18167 8143 1 9 . 1 1 71 71 LEU C C 89 177.698 177.698 177.706 -0.008 18167 8144 1 9 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.283 -0.519 18167 8145 1 9 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.553 0.941 18167 8146 1 9 . 1 1 71 71 LEU H H 89 7.998 7.998 8.891 -0.893 18167 8147 1 9 . 1 1 72 72 THR N N 90 106.680 106.680 108.364 -1.684 18167 8148 1 9 . 1 1 72 72 THR HA H 90 4.221 4.221 3.923 0.298 18167 8149 1 9 . 1 1 72 72 THR C C 90 176.248 176.248 175.234 1.014 18167 8150 1 9 . 1 1 72 72 THR CA C 90 63.648 63.648 64.688 -1.040 18167 8151 1 9 . 1 1 72 72 THR CB C 90 68.620 68.620 68.138 0.482 18167 8152 1 9 . 1 1 72 72 THR H H 90 7.798 7.798 7.675 0.123 18167 8153 1 9 . 1 1 73 73 ASP N N 91 120.626 120.626 120.962 -0.336 18167 8154 1 9 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.478 0.132 18167 8155 1 9 . 1 1 73 73 ASP C C 91 177.133 177.133 178.797 -1.664 18167 8156 1 9 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.947 -0.346 18167 8157 1 9 . 1 1 73 73 ASP CB C 91 41.673 41.673 41.158 0.515 18167 8158 1 9 . 1 1 73 73 ASP H H 91 7.805 7.805 7.809 -0.004 18167 8159 1 9 . 1 1 74 74 LEU N N 92 120.238 120.238 119.561 0.677 18167 8160 1 9 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.103 0.118 18167 8161 1 9 . 1 1 74 74 LEU C C 92 176.907 176.907 176.972 -0.065 18167 8162 1 9 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.750 -1.107 18167 8163 1 9 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.401 -1.077 18167 8164 1 9 . 1 1 74 74 LEU H H 92 8.182 8.182 8.220 -0.038 18167 8165 1 9 . 1 1 75 75 GLY N N 93 105.772 105.772 101.435 4.337 18167 8166 1 9 . 1 1 75 75 GLY C C 93 173.853 173.853 171.877 1.976 18167 8167 1 9 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.645 -0.617 18167 8168 1 9 . 1 1 75 75 GLY H H 93 7.713 7.713 7.369 0.344 18167 8169 1 9 . 1 1 76 76 THR N N 94 111.354 111.354 109.621 1.733 18167 8170 1 9 . 1 1 76 76 THR HA H 94 4.426 4.426 4.773 -0.347 18167 8171 1 9 . 1 1 76 76 THR C C 94 174.396 174.396 176.031 -1.635 18167 8172 1 9 . 1 1 76 76 THR CA C 94 61.220 61.220 59.819 1.401 18167 8173 1 9 . 1 1 76 76 THR CB C 94 71.400 71.400 71.955 -0.555 18167 8174 1 9 . 1 1 76 76 THR H H 94 8.842 8.842 8.228 0.614 18167 8175 1 9 . 1 1 77 77 ALA N N 95 122.586 122.586 123.487 -0.901 18167 8176 1 9 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.816 -0.490 18167 8177 1 9 . 1 1 77 77 ALA C C 95 179.120 179.120 179.204 -0.084 18167 8178 1 9 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.529 0.095 18167 8179 1 9 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.977 -0.998 18167 8180 1 9 . 1 1 77 77 ALA H H 95 8.861 8.861 8.865 -0.004 18167 8181 1 9 . 1 1 78 78 THR N N 96 110.298 110.298 114.566 -4.268 18167 8182 1 9 . 1 1 78 78 THR HA H 96 3.479 3.479 3.953 -0.474 18167 8183 1 9 . 1 1 78 78 THR C C 96 175.297 175.297 176.517 -1.220 18167 8184 1 9 . 1 1 78 78 THR CA C 96 66.314 66.314 66.242 0.072 18167 8185 1 9 . 1 1 78 78 THR CB C 96 68.335 68.335 68.483 -0.148 18167 8186 1 9 . 1 1 78 78 THR H H 96 7.757 7.757 7.758 -0.001 18167 8187 1 9 . 1 1 79 79 ASP N N 97 122.829 122.829 122.084 0.745 18167 8188 1 9 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.611 -0.199 18167 8189 1 9 . 1 1 79 79 ASP C C 97 179.693 179.693 178.590 1.103 18167 8190 1 9 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.377 0.617 18167 8191 1 9 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.774 -0.243 18167 8192 1 9 . 1 1 79 79 ASP H H 97 7.448 7.448 8.056 -0.608 18167 8193 1 9 . 1 1 80 80 VAL N N 98 121.175 121.175 119.538 1.637 18167 8194 1 9 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.809 -0.327 18167 8195 1 9 . 1 1 80 80 VAL C C 98 178.667 178.667 178.383 0.284 18167 8196 1 9 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.484 0.073 18167 8197 1 9 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.551 -0.043 18167 8198 1 9 . 1 1 80 80 VAL H H 98 8.390 8.390 8.734 -0.344 18167 8199 1 9 . 1 1 81 81 GLY N N 99 108.920 108.920 108.170 0.750 18167 8200 1 9 . 1 1 81 81 GLY C C 99 175.133 175.133 176.145 -1.012 18167 8201 1 9 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.441 1.609 18167 8202 1 9 . 1 1 81 81 GLY H H 99 8.630 8.630 7.890 0.740 18167 8203 1 9 . 1 1 82 82 TYR N N 100 121.598 121.598 122.184 -0.586 18167 8204 1 9 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.324 0.004 18167 8205 1 9 . 1 1 82 82 TYR C C 100 179.383 179.383 178.525 0.858 18167 8206 1 9 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.517 0.222 18167 8207 1 9 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.236 -1.137 18167 8208 1 9 . 1 1 82 82 TYR H H 100 8.880 8.880 7.897 0.983 18167 8209 1 9 . 1 1 83 83 ARG N N 101 121.436 121.436 118.872 2.564 18167 8210 1 9 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.023 0.064 18167 8211 1 9 . 1 1 83 83 ARG C C 101 178.906 178.906 178.726 0.180 18167 8212 1 9 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.730 0.818 18167 8213 1 9 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.614 0.009 18167 8214 1 9 . 1 1 83 83 ARG H H 101 8.102 8.102 8.174 -0.072 18167 8215 1 9 . 1 1 84 84 PHE N N 102 121.581 121.581 122.518 -0.937 18167 8216 1 9 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.199 0.188 18167 8217 1 9 . 1 1 84 84 PHE C C 102 177.731 177.731 177.266 0.465 18167 8218 1 9 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.418 -1.412 18167 8219 1 9 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.925 -0.684 18167 8220 1 9 . 1 1 84 84 PHE H H 102 8.511 8.511 8.575 -0.064 18167 8221 1 9 . 1 1 85 85 MET N N 103 117.909 117.909 118.133 -0.224 18167 8222 1 9 . 1 1 85 85 MET HA H 103 3.850 3.850 3.803 0.047 18167 8223 1 9 . 1 1 85 85 MET C C 103 178.063 178.063 178.329 -0.266 18167 8224 1 9 . 1 1 85 85 MET CA C 103 57.352 57.352 57.715 -0.363 18167 8225 1 9 . 1 1 85 85 MET CB C 103 33.654 33.654 31.127 2.527 18167 8226 1 9 . 1 1 85 85 MET H H 103 8.350 8.350 7.740 0.610 18167 8227 1 9 . 1 1 86 86 LYS N N 104 118.874 118.874 120.194 -1.320 18167 8228 1 9 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.936 0.068 18167 8229 1 9 . 1 1 86 86 LYS C C 104 177.910 177.910 179.001 -1.091 18167 8230 1 9 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.853 -0.405 18167 8231 1 9 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.355 -0.670 18167 8232 1 9 . 1 1 86 86 LYS H H 104 7.578 7.578 7.721 -0.143 18167 8233 1 9 . 1 1 87 87 THR N N 105 114.567 114.567 116.544 -1.977 18167 8234 1 9 . 1 1 87 87 THR HA H 105 3.949 3.949 3.918 0.031 18167 8235 1 9 . 1 1 87 87 THR C C 105 176.912 176.912 176.895 0.017 18167 8236 1 9 . 1 1 87 87 THR CA C 105 66.108 66.108 66.734 -0.626 18167 8237 1 9 . 1 1 87 87 THR CB C 105 68.909 68.909 68.556 0.353 18167 8238 1 9 . 1 1 87 87 THR H H 105 7.667 7.667 7.868 -0.201 18167 8239 1 9 . 1 1 88 88 VAL N N 106 122.160 122.160 121.125 1.035 18167 8240 1 9 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.366 0.125 18167 8241 1 9 . 1 1 88 88 VAL C C 106 178.950 178.950 178.255 0.695 18167 8242 1 9 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.995 -0.171 18167 8243 1 9 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.370 0.139 18167 8244 1 9 . 1 1 88 88 VAL H H 106 7.600 7.600 8.138 -0.538 18167 8245 1 9 . 1 1 89 89 ASN N N 107 120.741 120.741 118.630 2.111 18167 8246 1 9 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.361 0.129 18167 8247 1 9 . 1 1 89 89 ASN C C 107 178.483 178.483 176.884 1.599 18167 8248 1 9 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.637 0.305 18167 8249 1 9 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.696 0.194 18167 8250 1 9 . 1 1 89 89 ASN H H 107 8.501 8.501 8.279 0.222 18167 8251 1 9 . 1 1 90 90 ASP N N 108 121.211 121.211 119.928 1.283 18167 8252 1 9 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.285 0.195 18167 8253 1 9 . 1 1 90 90 ASP C C 108 177.598 177.598 176.998 0.600 18167 8254 1 9 . 1 1 90 90 ASP CA C 108 56.367 56.367 57.039 -0.672 18167 8255 1 9 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.853 -0.611 18167 8256 1 9 . 1 1 90 90 ASP H H 108 8.824 8.824 8.327 0.497 18167 8257 1 9 . 1 1 91 91 ALA N N 109 121.181 121.181 120.213 0.968 18167 8258 1 9 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.276 0.116 18167 8259 1 9 . 1 1 91 91 ALA C C 109 177.936 177.936 178.476 -0.540 18167 8260 1 9 . 1 1 91 91 ALA CA C 109 52.692 52.692 54.033 -1.341 18167 8261 1 9 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.132 -0.243 18167 8262 1 9 . 1 1 91 91 ALA H H 109 7.507 7.507 7.445 0.062 18167 8263 1 9 . 1 1 92 92 SER N N 110 113.785 113.785 113.087 0.698 18167 8264 1 9 . 1 1 92 92 SER HA H 110 4.537 4.537 4.620 -0.083 18167 8265 1 9 . 1 1 92 92 SER C C 110 174.252 174.252 175.083 -0.831 18167 8266 1 9 . 1 1 92 92 SER CA C 110 58.565 58.565 57.903 0.662 18167 8267 1 9 . 1 1 92 92 SER CB C 110 64.795 64.795 64.204 0.591 18167 8268 1 9 . 1 1 92 92 SER H H 110 7.611 7.611 7.696 -0.085 18167 8269 1 9 . 1 1 93 93 GLN N N 111 119.994 119.994 122.898 -2.904 18167 8270 1 9 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.142 0.281 18167 8271 1 9 . 1 1 93 93 GLN C C 111 176.441 176.441 177.564 -1.123 18167 8272 1 9 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.819 -3.027 18167 8273 1 9 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.584 0.259 18167 8274 1 9 . 1 1 93 93 GLN H H 111 8.414 8.414 8.377 0.037 18167 8275 1 9 . 1 1 94 94 GLY N N 112 107.948 107.948 107.162 0.786 18167 8276 1 9 . 1 1 94 94 GLY C C 112 174.406 174.406 175.265 -0.859 18167 8277 1 9 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.801 -0.859 18167 8278 1 9 . 1 1 94 94 GLY H H 112 8.467 8.467 8.559 -0.092 18167 8279 1 9 . 1 1 95 95 ASP N N 113 119.500 119.500 119.317 0.183 18167 8280 1 9 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.753 -0.197 18167 8281 1 9 . 1 1 95 95 ASP C C 113 175.438 175.438 175.572 -0.134 18167 8282 1 9 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.513 0.167 18167 8283 1 9 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.536 -2.342 18167 8284 1 9 . 1 1 95 95 ASP H H 113 8.423 8.423 7.870 0.553 18167 8285 1 9 . 1 1 96 96 ARG N N 114 118.992 118.992 122.002 -3.010 18167 8286 1 9 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.339 0.722 18167 8287 1 9 . 1 1 96 96 ARG C C 114 175.699 175.699 174.207 1.492 18167 8288 1 9 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.118 -1.075 18167 8289 1 9 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.424 1.216 18167 8290 1 9 . 1 1 96 96 ARG H H 114 7.507 7.507 7.783 -0.276 18167 8291 1 9 . 1 1 97 97 GLN N N 115 121.149 121.149 124.139 -2.990 18167 8292 1 9 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.664 0.005 18167 8293 1 9 . 1 1 97 97 GLN C C 115 173.696 173.696 173.817 -0.121 18167 8294 1 9 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.263 0.294 18167 8295 1 9 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.603 -1.530 18167 8296 1 9 . 1 1 97 97 GLN H H 115 8.814 8.814 8.103 0.711 18167 8297 1 9 . 1 1 98 98 ALA N N 116 129.789 129.789 126.220 3.569 18167 8298 1 9 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.024 0.292 18167 8299 1 9 . 1 1 98 98 ALA C C 116 176.503 176.503 176.803 -0.300 18167 8300 1 9 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.508 0.306 18167 8301 1 9 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.434 0.608 18167 8302 1 9 . 1 1 98 98 ALA H H 116 9.836 9.836 8.520 1.316 18167 8303 1 9 . 1 1 99 99 GLU N N 117 122.780 122.780 122.330 0.450 18167 8304 1 9 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.660 -0.057 18167 8305 1 9 . 1 1 99 99 GLU C C 117 174.361 174.361 175.015 -0.654 18167 8306 1 9 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.339 -0.019 18167 8307 1 9 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.411 0.901 18167 8308 1 9 . 1 1 99 99 GLU H H 117 9.252 9.252 8.940 0.312 18167 8309 1 9 . 1 1 100 100 LEU N N 118 127.043 127.043 126.741 0.302 18167 8310 1 9 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.410 -0.103 18167 8311 1 9 . 1 1 100 100 LEU C C 118 176.338 176.338 176.641 -0.303 18167 8312 1 9 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.774 0.748 18167 8313 1 9 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.046 0.595 18167 8314 1 9 . 1 1 100 100 LEU H H 118 8.765 8.765 8.864 -0.099 18167 8315 1 9 . 1 1 101 101 ILE N N 119 128.101 128.101 126.980 1.121 18167 8316 1 9 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.840 0.256 18167 8317 1 9 . 1 1 101 101 ILE C C 119 175.634 175.634 176.425 -0.791 18167 8318 1 9 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.266 -0.863 18167 8319 1 9 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.624 0.433 18167 8320 1 9 . 1 1 101 101 ILE H H 119 9.244 9.244 8.595 0.649 18167 8321 1 9 . 1 1 102 102 ASN N N 120 114.715 114.715 114.595 0.120 18167 8322 1 9 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.850 0.105 18167 8323 1 9 . 1 1 102 102 ASN C C 120 172.326 172.326 172.876 -0.550 18167 8324 1 9 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.931 0.442 18167 8325 1 9 . 1 1 102 102 ASN CB C 120 42.887 42.887 42.062 0.825 18167 8326 1 9 . 1 1 102 102 ASN H H 120 7.989 7.989 7.945 0.044 18167 8327 1 9 . 1 1 103 103 ALA N N 121 125.011 125.011 122.945 2.066 18167 8328 1 9 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.199 0.258 18167 8329 1 9 . 1 1 103 103 ALA C C 121 175.068 175.068 175.265 -0.197 18167 8330 1 9 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.256 0.103 18167 8331 1 9 . 1 1 103 103 ALA CB C 121 22.409 22.409 20.792 1.617 18167 8332 1 9 . 1 1 103 103 ALA H H 121 8.182 8.182 8.370 -0.188 18167 8333 1 9 . 1 1 104 104 GLU N N 122 121.148 121.148 120.474 0.674 18167 8334 1 9 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.689 0.006 18167 8335 1 9 . 1 1 104 104 GLU C C 122 173.666 173.666 174.024 -0.358 18167 8336 1 9 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.540 0.553 18167 8337 1 9 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.429 0.080 18167 8338 1 9 . 1 1 104 104 GLU H H 122 8.817 8.817 8.468 0.349 18167 8339 1 9 . 1 1 105 105 ALA N N 123 124.441 124.441 122.409 2.032 18167 8340 1 9 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.360 0.167 18167 8341 1 9 . 1 1 105 105 ALA C C 123 176.479 176.479 176.496 -0.017 18167 8342 1 9 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.823 0.308 18167 8343 1 9 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.889 0.962 18167 8344 1 9 . 1 1 105 105 ALA H H 123 8.860 8.860 8.356 0.504 18167 8345 1 9 . 1 1 106 106 ARG N N 124 120.892 120.892 120.226 0.666 18167 8346 1 9 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.708 0.115 18167 8347 1 9 . 1 1 106 106 ARG C C 124 172.820 172.820 174.526 -1.706 18167 8348 1 9 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.169 -0.397 18167 8349 1 9 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.824 -0.554 18167 8350 1 9 . 1 1 106 106 ARG H H 124 9.209 9.209 8.939 0.270 18167 8351 1 9 . 1 1 107 107 ASP N N 125 122.706 122.706 124.309 -1.603 18167 8352 1 9 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.625 -0.386 18167 8353 1 9 . 1 1 107 107 ASP C C 125 176.097 176.097 175.699 0.398 18167 8354 1 9 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.065 -0.121 18167 8355 1 9 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.892 1.246 18167 8356 1 9 . 1 1 107 107 ASP H H 125 8.633 8.633 8.719 -0.086 18167 8357 1 9 . 1 1 108 108 GLU N N 126 126.120 126.120 125.789 0.331 18167 8358 1 9 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.684 0.021 18167 8359 1 9 . 1 1 108 108 GLU C C 126 175.768 175.768 176.096 -0.328 18167 8360 1 9 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.467 -0.450 18167 8361 1 9 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.828 -3.405 18167 8362 1 9 . 1 1 108 108 GLU H H 126 9.152 9.152 9.260 -0.108 18167 8363 1 9 . 1 1 109 109 ASP N N 127 126.277 126.277 122.819 3.458 18167 8364 1 9 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.386 -0.032 18167 8365 1 9 . 1 1 109 109 ASP C C 127 175.414 175.414 176.587 -1.173 18167 8366 1 9 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.200 0.190 18167 8367 1 9 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.100 1.142 18167 8368 1 9 . 1 1 109 109 ASP H H 127 9.067 9.067 9.230 -0.163 18167 8369 1 9 . 1 1 110 110 GLY N N 128 106.859 106.859 102.682 4.177 18167 8370 1 9 . 1 1 110 110 GLY C C 128 173.761 173.761 174.371 -0.610 18167 8371 1 9 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.353 -0.111 18167 8372 1 9 . 1 1 110 110 GLY H H 128 9.008 9.008 8.730 0.278 18167 8373 1 9 . 1 1 111 111 GLN N N 129 123.033 123.033 119.813 3.220 18167 8374 1 9 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.594 -0.211 18167 8375 1 9 . 1 1 111 111 GLN C C 129 173.901 173.901 174.352 -0.451 18167 8376 1 9 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.272 -0.335 18167 8377 1 9 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.943 -1.760 18167 8378 1 9 . 1 1 111 111 GLN H H 129 7.825 7.825 8.268 -0.443 18167 8379 1 9 . 1 1 112 112 VAL N N 130 128.263 128.263 121.635 6.628 18167 8380 1 9 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.849 0.023 18167 8381 1 9 . 1 1 112 112 VAL C C 130 175.591 175.591 174.940 0.651 18167 8382 1 9 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.082 1.021 18167 8383 1 9 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.014 -0.641 18167 8384 1 9 . 1 1 112 112 VAL H H 130 8.330 8.330 8.291 0.039 18167 8385 1 9 . 1 1 113 113 TYR N N 131 126.702 126.702 125.077 1.625 18167 8386 1 9 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.862 0.188 18167 8387 1 9 . 1 1 113 113 TYR C C 131 175.477 175.477 174.884 0.593 18167 8388 1 9 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.262 0.161 18167 8389 1 9 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.502 0.987 18167 8390 1 9 . 1 1 113 113 TYR H H 131 9.136 9.136 9.341 -0.205 18167 8391 1 9 . 1 1 114 114 TYR N N 132 121.626 121.626 124.365 -2.739 18167 8392 1 9 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.116 0.714 18167 8393 1 9 . 1 1 114 114 TYR C C 132 175.368 175.368 175.557 -0.189 18167 8394 1 9 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.959 -1.891 18167 8395 1 9 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.229 -0.912 18167 8396 1 9 . 1 1 114 114 TYR H H 132 9.577 9.577 9.556 0.021 18167 8397 1 9 . 1 1 115 115 THR N N 133 120.018 120.018 121.510 -1.492 18167 8398 1 9 . 1 1 115 115 THR HA H 133 5.486 5.486 4.596 0.890 18167 8399 1 9 . 1 1 115 115 THR C C 133 174.327 174.327 173.029 1.298 18167 8400 1 9 . 1 1 115 115 THR CA C 133 61.648 61.648 62.360 -0.712 18167 8401 1 9 . 1 1 115 115 THR CB C 133 69.622 69.622 69.687 -0.065 18167 8402 1 9 . 1 1 115 115 THR H H 133 9.351 9.351 9.309 0.042 18167 8403 1 9 . 1 1 116 116 LEU N N 134 127.249 127.249 128.572 -1.323 18167 8404 1 9 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.781 0.514 18167 8405 1 9 . 1 1 116 116 LEU C C 134 174.347 174.347 174.475 -0.128 18167 8406 1 9 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.325 -1.698 18167 8407 1 9 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.035 -0.500 18167 8408 1 9 . 1 1 116 116 LEU H H 134 10.010 10.010 9.506 0.504 18167 8409 1 9 . 1 1 117 117 GLU N N 135 124.969 124.969 125.712 -0.743 18167 8410 1 9 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.777 0.801 18167 8411 1 9 . 1 1 117 117 GLU C C 135 175.635 175.635 174.817 0.818 18167 8412 1 9 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.819 -0.680 18167 8413 1 9 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.515 -0.352 18167 8414 1 9 . 1 1 117 117 GLU H H 135 9.109 9.109 8.960 0.149 18167 8415 1 9 . 1 1 118 118 TYR N N 136 125.868 125.868 123.051 2.817 18167 8416 1 9 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.520 -0.245 18167 8417 1 9 . 1 1 118 118 TYR C C 136 170.317 170.317 172.543 -2.226 18167 8418 1 9 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.909 0.102 18167 8419 1 9 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.200 0.316 18167 8420 1 9 . 1 1 118 118 TYR H H 136 8.973 8.973 8.533 0.440 18167 8421 1 9 . 1 1 119 119 ARG N N 137 115.256 115.256 117.749 -2.493 18167 8422 1 9 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.375 0.702 18167 8423 1 9 . 1 1 119 119 ARG C C 137 173.643 173.643 174.342 -0.699 18167 8424 1 9 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.131 -1.008 18167 8425 1 9 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.005 -0.820 18167 8426 1 9 . 1 1 119 119 ARG H H 137 8.920 8.920 9.045 -0.125 18167 8427 1 9 . 1 1 120 120 VAL N N 138 119.767 119.767 118.213 1.554 18167 8428 1 9 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.079 -0.293 18167 8429 1 9 . 1 1 120 120 VAL C C 138 174.355 174.355 174.342 0.013 18167 8430 1 9 . 1 1 120 120 VAL CA C 138 61.783 61.783 59.911 1.872 18167 8431 1 9 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.217 0.945 18167 8432 1 9 . 1 1 120 120 VAL H H 138 8.430 8.430 8.303 0.127 18167 8433 1 9 . 1 1 121 121 LEU N N 139 129.915 129.915 123.096 6.819 18167 8434 1 9 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.072 0.013 18167 8435 1 9 . 1 1 121 121 LEU C C 139 176.376 176.376 174.662 1.714 18167 8436 1 9 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.133 0.527 18167 8437 1 9 . 1 1 121 121 LEU CB C 139 44.122 44.122 44.954 -0.832 18167 8438 1 9 . 1 1 121 121 LEU H H 139 9.333 9.333 8.470 0.863 18167 8439 1 9 . 1 1 122 122 VAL N N 140 120.956 120.956 121.913 -0.957 18167 8440 1 9 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.514 -0.139 18167 8441 1 9 . 1 1 122 122 VAL C C 140 177.264 177.264 177.272 -0.008 18167 8442 1 9 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.437 1.031 18167 8443 1 9 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.017 -0.143 18167 8444 1 9 . 1 1 122 122 VAL H H 140 8.655 8.655 7.900 0.755 18167 8445 1 9 . 1 1 123 123 GLY N N 141 119.059 119.059 118.420 0.639 18167 8446 1 9 . 1 1 123 123 GLY C C 141 174.482 174.482 174.317 0.165 18167 8447 1 9 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.575 0.593 18167 8448 1 9 . 1 1 123 123 GLY H H 141 8.940 8.940 8.655 0.285 18167 8449 1 9 . 1 1 124 124 ASP N N 142 124.652 124.652 125.017 -0.365 18167 8450 1 9 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.798 -0.164 18167 8451 1 9 . 1 1 124 124 ASP C C 142 175.588 175.588 175.045 0.543 18167 8452 1 9 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.511 0.879 18167 8453 1 9 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.017 0.247 18167 8454 1 9 . 1 1 124 124 ASP H H 142 8.722 8.722 8.478 0.244 18167 8455 1 9 . 1 1 125 125 ASN N N 143 118.203 118.203 118.448 -0.245 18167 8456 1 9 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.984 -0.057 18167 8457 1 9 . 1 1 125 125 ASN C C 143 174.095 174.095 173.392 0.703 18167 8458 1 9 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.263 0.143 18167 8459 1 9 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.543 -0.480 18167 8460 1 9 . 1 1 125 125 ASN H H 143 8.023 8.023 7.936 0.087 18167 8461 1 9 . 1 1 126 126 VAL N N 144 123.424 123.424 120.045 3.379 18167 8462 1 9 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.015 0.065 18167 8463 1 9 . 1 1 126 126 VAL C C 144 175.767 175.767 175.233 0.534 18167 8464 1 9 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.443 0.866 18167 8465 1 9 . 1 1 126 126 VAL H H 144 8.857 8.857 8.459 0.398 18167 8466 1 9 . 1 1 127 127 GLU N N 145 130.709 130.709 129.130 1.579 18167 8467 1 9 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.296 0.109 18167 8468 1 9 . 1 1 127 127 GLU C C 145 176.522 176.522 176.176 0.346 18167 8469 1 9 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.309 -0.345 18167 8470 1 9 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.085 1.270 18167 8471 1 9 . 1 1 127 127 GLU H H 145 9.487 9.487 8.924 0.563 18167 8472 1 9 . 1 1 128 128 ARG N N 146 113.222 113.222 111.907 1.315 18167 8473 1 9 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.633 0.428 18167 8474 1 9 . 1 1 128 128 ARG C C 146 172.055 172.055 173.886 -1.831 18167 8475 1 9 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.375 -0.994 18167 8476 1 9 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.531 1.460 18167 8477 1 9 . 1 1 128 128 ARG H H 146 7.657 7.657 7.590 0.067 18167 8478 1 9 . 1 1 129 129 HIS N N 147 125.158 125.158 117.511 7.647 18167 8479 1 9 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.444 0.188 18167 8480 1 9 . 1 1 129 129 HIS C C 147 172.407 172.407 172.890 -0.483 18167 8481 1 9 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.102 -0.906 18167 8482 1 9 . 1 1 129 129 HIS CB C 147 31.936 31.936 32.108 -0.172 18167 8483 1 9 . 1 1 129 129 HIS H H 147 9.295 9.295 8.316 0.979 18167 8484 1 9 . 1 1 130 130 ASP N N 148 122.383 122.383 121.497 0.886 18167 8485 1 9 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.106 1.021 18167 8486 1 9 . 1 1 130 130 ASP C C 148 174.350 174.350 173.646 0.704 18167 8487 1 9 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.502 -0.555 18167 8488 1 9 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.285 -1.317 18167 8489 1 9 . 1 1 130 130 ASP H H 148 8.879 8.879 8.168 0.711 18167 8490 1 9 . 1 1 131 131 LEU N N 149 121.444 121.444 123.467 -2.023 18167 8491 1 9 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.973 0.316 18167 8492 1 9 . 1 1 131 131 LEU C C 149 174.289 174.289 174.251 0.038 18167 8493 1 9 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.251 0.607 18167 8494 1 9 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.063 1.805 18167 8495 1 9 . 1 1 131 131 LEU H H 149 8.916 8.916 8.317 0.599 18167 8496 1 9 . 1 1 132 132 ALA N N 150 128.498 128.498 128.772 -0.274 18167 8497 1 9 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.508 0.522 18167 8498 1 9 . 1 1 132 132 ALA C C 150 176.044 176.044 175.497 0.547 18167 8499 1 9 . 1 1 132 132 ALA CA C 150 49.401 49.401 49.921 -0.520 18167 8500 1 9 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.520 -0.697 18167 8501 1 9 . 1 1 132 132 ALA H H 150 9.920 9.920 9.322 0.598 18167 8502 1 9 . 1 1 133 133 SER N N 151 116.937 116.937 118.247 -1.310 18167 8503 1 9 . 1 1 133 133 SER HA H 151 5.812 5.812 5.547 0.265 18167 8504 1 9 . 1 1 133 133 SER C C 151 173.367 173.367 173.287 0.080 18167 8505 1 9 . 1 1 133 133 SER CA C 151 56.394 56.394 56.469 -0.075 18167 8506 1 9 . 1 1 133 133 SER CB C 151 65.448 65.448 65.355 0.093 18167 8507 1 9 . 1 1 133 133 SER H H 151 9.360 9.360 8.206 1.154 18167 8508 1 9 . 1 1 134 134 VAL N N 152 126.011 126.011 128.379 -2.368 18167 8509 1 9 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.983 0.426 18167 8510 1 9 . 1 1 134 134 VAL C C 152 175.735 175.735 175.012 0.723 18167 8511 1 9 . 1 1 134 134 VAL CA C 152 60.163 60.163 60.830 -0.667 18167 8512 1 9 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.720 2.200 18167 8513 1 9 . 1 1 134 134 VAL H H 152 9.558 9.558 9.214 0.344 18167 8514 1 9 . 1 1 135 135 THR N N 153 118.998 118.998 123.409 -4.411 18167 8515 1 9 . 1 1 135 135 THR HA H 153 4.723 4.723 4.897 -0.174 18167 8516 1 9 . 1 1 135 135 THR C C 153 171.746 171.746 173.626 -1.880 18167 8517 1 9 . 1 1 135 135 THR CA C 153 61.221 61.221 61.599 -0.378 18167 8518 1 9 . 1 1 135 135 THR CB C 153 69.300 69.300 72.542 -3.242 18167 8519 1 9 . 1 1 135 135 THR H H 153 8.960 8.960 9.152 -0.192 18167 8520 1 9 . 1 1 136 136 THR N N 154 109.883 109.883 117.060 -7.177 18167 8521 1 9 . 1 1 136 136 THR HA H 154 5.636 5.636 5.251 0.385 18167 8522 1 9 . 1 1 136 136 THR C C 154 173.904 173.904 174.068 -0.164 18167 8523 1 9 . 1 1 136 136 THR CA C 154 58.391 58.391 59.745 -1.354 18167 8524 1 9 . 1 1 136 136 THR CB C 154 71.387 71.387 70.216 1.171 18167 8525 1 9 . 1 1 136 136 THR H H 154 7.940 7.940 8.332 -0.392 18167 8526 1 9 . 1 1 137 137 ASN N N 155 115.138 115.138 121.699 -6.561 18167 8527 1 9 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.789 0.117 18167 8528 1 9 . 1 1 137 137 ASN C C 155 174.994 174.994 175.082 -0.088 18167 8529 1 9 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.013 1.332 18167 8530 1 9 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.127 1.680 18167 8531 1 9 . 1 1 137 137 ASN H H 155 8.938 8.938 8.428 0.510 18167 8532 1 9 . 1 1 138 138 ARG N N 156 125.040 125.040 123.577 1.463 18167 8533 1 9 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.965 -0.008 18167 8534 1 9 . 1 1 138 138 ARG C C 156 175.870 175.870 176.283 -0.413 18167 8535 1 9 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.513 0.611 18167 8536 1 9 . 1 1 138 138 ARG CB C 156 27.659 27.659 27.818 -0.159 18167 8537 1 9 . 1 1 138 138 ARG H H 156 9.364 9.364 8.998 0.366 18167 8538 1 9 . 1 1 139 139 GLY N N 157 104.408 104.408 101.639 2.769 18167 8539 1 9 . 1 1 139 139 GLY C C 157 173.563 173.563 173.417 0.146 18167 8540 1 9 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.153 0.668 18167 8541 1 9 . 1 1 139 139 GLY H H 157 8.862 8.862 8.499 0.363 18167 8542 1 9 . 1 1 140 140 LYS N N 158 117.999 117.999 121.430 -3.431 18167 8543 1 9 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.480 0.480 18167 8544 1 9 . 1 1 140 140 LYS C C 158 174.527 174.527 175.168 -0.641 18167 8545 1 9 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.377 -1.655 18167 8546 1 9 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.578 1.286 18167 8547 1 9 . 1 1 140 140 LYS H H 158 7.718 7.718 7.810 -0.092 18167 8548 1 9 . 1 1 141 141 LEU N N 159 124.332 124.332 127.437 -3.105 18167 8549 1 9 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.438 0.192 18167 8550 1 9 . 1 1 141 141 LEU C C 159 175.337 175.337 174.940 0.397 18167 8551 1 9 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.266 -0.028 18167 8552 1 9 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.334 0.538 18167 8553 1 9 . 1 1 141 141 LEU H H 159 9.006 9.006 9.133 -0.127 18167 8554 1 9 . 1 1 142 142 ILE N N 160 128.619 128.619 127.925 0.694 18167 8555 1 9 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.512 0.217 18167 8556 1 9 . 1 1 142 142 ILE C C 160 173.414 173.414 174.675 -1.261 18167 8557 1 9 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.536 0.697 18167 8558 1 9 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.902 -0.718 18167 8559 1 9 . 1 1 142 142 ILE H H 160 9.129 9.129 8.906 0.223 18167 8560 1 9 . 1 1 143 143 THR N N 161 122.266 122.266 122.996 -0.730 18167 8561 1 9 . 1 1 143 143 THR HA H 161 4.797 4.797 5.362 -0.565 18167 8562 1 9 . 1 1 143 143 THR C C 161 171.903 171.903 173.172 -1.269 18167 8563 1 9 . 1 1 143 143 THR CA C 161 61.666 61.666 60.809 0.857 18167 8564 1 9 . 1 1 143 143 THR CB C 161 70.025 70.025 71.604 -1.579 18167 8565 1 9 . 1 1 143 143 THR H H 161 8.818 8.818 8.529 0.289 18167 8566 1 9 . 1 1 144 144 PHE N N 162 130.742 130.742 126.366 4.376 18167 8567 1 9 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.761 0.029 18167 8568 1 9 . 1 1 144 144 PHE C C 162 173.404 173.404 173.494 -0.090 18167 8569 1 9 . 1 1 144 144 PHE CA C 162 55.220 55.220 55.386 -0.167 18167 8570 1 9 . 1 1 144 144 PHE CB C 162 39.740 39.740 40.939 -1.199 18167 8571 1 9 . 1 1 144 144 PHE H H 162 9.219 9.219 8.767 0.452 18167 8572 1 9 . 1 1 145 145 ASP N N 163 127.154 127.154 128.298 -1.144 18167 8573 1 9 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.276 -0.320 18167 8574 1 9 . 1 1 145 145 ASP C C 163 174.933 174.933 174.821 0.112 18167 8575 1 9 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.697 -0.287 18167 8576 1 9 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.861 0.463 18167 8577 1 9 . 1 1 145 145 ASP H H 163 8.862 8.862 8.698 0.164 18167 8578 1 9 . 1 1 146 146 LEU N N 164 131.658 131.658 127.974 3.684 18167 8579 1 9 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.762 -0.167 18167 8580 1 9 . 1 1 146 146 LEU C C 164 174.511 174.511 175.305 -0.794 18167 8581 1 9 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.215 -0.244 18167 8582 1 9 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.008 -1.911 18167 8583 1 9 . 1 1 146 146 LEU H H 164 8.938 8.938 8.824 0.114 18167 8584 1 9 . 1 1 147 147 SER N N 165 114.966 114.966 116.979 -2.013 18167 8585 1 9 . 1 1 147 147 SER HA H 165 5.186 5.186 5.342 -0.156 18167 8586 1 9 . 1 1 147 147 SER C C 165 173.417 173.417 173.682 -0.265 18167 8587 1 9 . 1 1 147 147 SER CA C 165 56.600 56.600 56.774 -0.174 18167 8588 1 9 . 1 1 147 147 SER CB C 165 67.205 67.205 66.032 1.173 18167 8589 1 9 . 1 1 147 147 SER H H 165 8.995 8.995 9.120 -0.125 18167 8590 1 9 . 1 1 148 148 THR N N 166 118.620 118.620 119.516 -0.896 18167 8591 1 9 . 1 1 148 148 THR HA H 166 5.144 5.144 4.753 0.391 18167 8592 1 9 . 1 1 148 148 THR C C 166 173.151 173.151 173.230 -0.079 18167 8593 1 9 . 1 1 148 148 THR CA C 166 60.362 60.362 61.968 -1.605 18167 8594 1 9 . 1 1 148 148 THR CB C 166 69.214 69.214 73.192 -3.978 18167 8595 1 9 . 1 1 148 148 THR H H 166 8.614 8.614 8.026 0.588 18167 8596 1 9 . 1 1 149 149 ALA N N 167 124.595 124.595 124.218 0.377 18167 8597 1 9 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.258 0.347 18167 8598 1 9 . 1 1 149 149 ALA C C 167 179.460 179.460 177.657 1.803 18167 8599 1 9 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.784 -1.228 18167 8600 1 9 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.493 0.765 18167 8601 1 9 . 1 1 149 149 ALA H H 167 8.107 8.107 8.649 -0.542 18167 8602 1 9 . 1 1 150 150 GLU N N 168 123.906 123.906 123.595 0.311 18167 8603 1 9 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.861 0.637 18167 8604 1 9 . 1 1 150 150 GLU C C 168 178.587 178.587 177.443 1.144 18167 8605 1 9 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.926 -0.980 18167 8606 1 9 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.666 -0.959 18167 8607 1 9 . 1 1 150 150 GLU H H 168 8.471 8.471 9.053 -0.582 18167 8608 1 9 . 1 1 151 151 ASP N N 169 114.005 114.005 118.534 -4.529 18167 8609 1 9 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.426 0.057 18167 8610 1 9 . 1 1 151 151 ASP C C 169 177.260 177.260 177.762 -0.502 18167 8611 1 9 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.859 -0.941 18167 8612 1 9 . 1 1 151 151 ASP CB C 169 40.085 40.085 39.644 0.441 18167 8613 1 9 . 1 1 151 151 ASP H H 169 8.575 8.575 8.792 -0.217 18167 8614 1 9 . 1 1 152 152 ARG N N 170 118.283 118.283 119.029 -0.746 18167 8615 1 9 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.333 -0.002 18167 8616 1 9 . 1 1 152 152 ARG C C 170 177.094 177.094 177.528 -0.434 18167 8617 1 9 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.806 -0.970 18167 8618 1 9 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.724 1.260 18167 8619 1 9 . 1 1 152 152 ARG H H 170 7.663 7.663 7.837 -0.174 18167 8620 1 9 . 1 1 153 153 TRP N N 171 122.336 122.336 122.167 0.169 18167 8621 1 9 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.500 -0.590 18167 8622 1 9 . 1 1 153 153 TRP C C 171 175.820 175.820 176.796 -0.976 18167 8623 1 9 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.388 -0.512 18167 8624 1 9 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.280 0.128 18167 8625 1 9 . 1 1 153 153 TRP H H 171 7.689 7.689 8.254 -0.565 18167 8626 1 9 . 1 1 154 154 ASP N N 172 114.179 114.179 116.683 -2.504 18167 8627 1 9 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.513 -0.496 18167 8628 1 9 . 1 1 154 154 ASP C C 172 178.442 178.442 179.289 -0.847 18167 8629 1 9 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.130 0.373 18167 8630 1 9 . 1 1 154 154 ASP CB C 172 40.164 40.164 41.107 -0.943 18167 8631 1 9 . 1 1 154 154 ASP H H 172 8.690 8.690 8.093 0.597 18167 8632 1 9 . 1 1 155 155 THR N N 173 114.661 114.661 116.033 -1.372 18167 8633 1 9 . 1 1 155 155 THR HA H 173 3.990 3.990 4.138 -0.148 18167 8634 1 9 . 1 1 155 155 THR C C 173 175.985 175.985 175.758 0.227 18167 8635 1 9 . 1 1 155 155 THR CA C 173 65.585 65.585 65.315 0.270 18167 8636 1 9 . 1 1 155 155 THR CB C 173 69.076 69.076 69.234 -0.158 18167 8637 1 9 . 1 1 155 155 THR H H 173 7.635 7.635 7.787 -0.152 18167 8638 1 9 . 1 1 156 156 VAL N N 174 113.687 113.687 114.732 -1.045 18167 8639 1 9 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.311 -0.034 18167 8640 1 9 . 1 1 156 156 VAL C C 174 176.185 176.185 175.036 1.149 18167 8641 1 9 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.928 1.516 18167 8642 1 9 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.387 2.766 18167 8643 1 9 . 1 1 156 156 VAL H H 174 7.447 7.447 7.890 -0.443 18167 8644 1 9 . 1 1 157 157 LYS N N 175 123.084 123.084 120.894 2.190 18167 8645 1 9 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.559 -0.715 18167 8646 1 9 . 1 1 157 157 LYS C C 175 177.321 177.321 177.993 -0.672 18167 8647 1 9 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.952 0.267 18167 8648 1 9 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.516 -1.321 18167 8649 1 9 . 1 1 157 157 LYS H H 175 7.548 7.548 7.019 0.529 18167 8650 1 9 . 1 1 158 158 SER N N 176 114.046 114.046 115.429 -1.383 18167 8651 1 9 . 1 1 158 158 SER HA H 176 3.820 3.820 4.144 -0.324 18167 8652 1 9 . 1 1 158 158 SER C C 176 176.927 176.927 176.129 0.798 18167 8653 1 9 . 1 1 158 158 SER CA C 176 61.600 61.600 61.221 0.379 18167 8654 1 9 . 1 1 158 158 SER CB C 176 62.048 62.048 62.483 -0.435 18167 8655 1 9 . 1 1 158 158 SER H H 176 8.161 8.161 8.161 0.000 18167 8656 1 9 . 1 1 159 159 LEU N N 177 126.125 126.125 123.348 2.777 18167 8657 1 9 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.764 0.409 18167 8658 1 9 . 1 1 159 159 LEU C C 177 178.403 178.403 177.560 0.843 18167 8659 1 9 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.970 -0.268 18167 8660 1 9 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.187 -0.111 18167 8661 1 9 . 1 1 159 159 LEU H H 177 7.587 7.587 6.907 0.680 18167 8662 1 9 . 1 1 160 160 PHE N N 178 119.582 119.582 117.403 2.179 18167 8663 1 9 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.881 0.401 18167 8664 1 9 . 1 1 160 160 PHE C C 178 177.277 177.277 177.700 -0.423 18167 8665 1 9 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.618 -2.908 18167 8666 1 9 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.437 -1.897 18167 8667 1 9 . 1 1 160 160 PHE H H 178 9.067 9.067 6.722 2.345 18167 8668 1 9 . 1 1 161 161 ASP N N 179 120.599 120.599 119.353 1.246 18167 8669 1 9 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.433 -0.093 18167 8670 1 9 . 1 1 161 161 ASP C C 179 179.216 179.216 179.151 0.065 18167 8671 1 9 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.558 0.344 18167 8672 1 9 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.179 0.778 18167 8673 1 9 . 1 1 161 161 ASP H H 179 8.578 8.578 7.638 0.940 18167 8674 1 9 . 1 1 162 162 THR N N 180 118.300 118.300 117.409 0.891 18167 8675 1 9 . 1 1 162 162 THR HA H 180 3.849 3.849 4.023 -0.174 18167 8676 1 9 . 1 1 162 162 THR C C 180 176.875 176.875 176.859 0.016 18167 8677 1 9 . 1 1 162 162 THR CA C 180 66.977 66.977 66.697 0.280 18167 8678 1 9 . 1 1 162 162 THR CB C 180 68.886 68.886 68.810 0.076 18167 8679 1 9 . 1 1 162 162 THR H H 180 7.771 7.771 8.489 -0.718 18167 8680 1 9 . 1 1 163 163 VAL N N 181 123.234 123.234 122.185 1.049 18167 8681 1 9 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.632 -0.038 18167 8682 1 9 . 1 1 163 163 VAL C C 181 180.016 180.016 177.673 2.343 18167 8683 1 9 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.528 0.228 18167 8684 1 9 . 1 1 163 163 VAL CB C 181 31.712 31.712 30.912 0.800 18167 8685 1 9 . 1 1 163 163 VAL H H 181 8.831 8.831 8.376 0.455 18167 8686 1 9 . 1 1 164 164 ALA N N 182 124.654 124.654 120.854 3.800 18167 8687 1 9 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.559 0.703 18167 8688 1 9 . 1 1 164 164 ALA C C 182 180.510 180.510 178.767 1.743 18167 8689 1 9 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.580 1.879 18167 8690 1 9 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.463 -0.900 18167 8691 1 9 . 1 1 164 164 ALA H H 182 9.662 9.662 7.949 1.713 18167 8692 1 9 . 1 1 165 165 SER N N 183 112.325 112.325 112.587 -0.262 18167 8693 1 9 . 1 1 165 165 SER HA H 183 4.173 4.173 4.458 -0.285 18167 8694 1 9 . 1 1 165 165 SER C C 183 173.817 173.817 176.247 -2.430 18167 8695 1 9 . 1 1 165 165 SER CA C 183 61.155 61.155 60.036 1.119 18167 8696 1 9 . 1 1 165 165 SER CB C 183 63.140 63.140 63.853 -0.713 18167 8697 1 9 . 1 1 165 165 SER H H 183 7.988 7.988 7.926 0.062 18167 8698 1 9 . 1 1 166 166 SER N N 184 117.332 117.332 116.723 0.609 18167 8699 1 9 . 1 1 166 166 SER HA H 184 4.356 4.356 4.428 -0.072 18167 8700 1 9 . 1 1 166 166 SER C C 184 174.163 174.163 175.864 -1.701 18167 8701 1 9 . 1 1 166 166 SER CA C 184 59.502 59.502 60.193 -0.691 18167 8702 1 9 . 1 1 166 166 SER CB C 184 63.416 63.416 63.566 -0.150 18167 8703 1 9 . 1 1 166 166 SER H H 184 7.766 7.766 8.264 -0.498 18167 8704 1 9 . 1 1 167 167 PHE N N 185 124.827 124.827 121.478 3.349 18167 8705 1 9 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.862 0.301 18167 8706 1 9 . 1 1 167 167 PHE C C 185 174.545 174.545 175.029 -0.484 18167 8707 1 9 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.151 -0.649 18167 8708 1 9 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.728 -1.338 18167 8709 1 9 . 1 1 167 167 PHE H H 185 7.101 7.101 7.873 -0.772 18167 8710 1 9 . 1 1 168 168 HIS N N 186 127.050 127.050 120.158 6.892 18167 8711 1 9 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.624 0.529 18167 8712 1 9 . 1 1 168 168 HIS C C 186 172.836 172.836 173.263 -0.427 18167 8713 1 9 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.869 -0.713 18167 8714 1 9 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.155 -2.152 18167 8715 1 9 . 1 1 168 168 HIS H H 186 8.645 8.645 8.981 -0.336 18167 8716 1 9 . 1 1 169 169 VAL N N 187 114.268 114.268 117.770 -3.502 18167 8717 1 9 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.196 -0.036 18167 8718 1 9 . 1 1 169 169 VAL C C 187 174.449 174.449 174.123 0.326 18167 8719 1 9 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.183 -0.830 18167 8720 1 9 . 1 1 169 169 VAL CB C 187 33.409 33.409 35.153 -1.744 18167 8721 1 9 . 1 1 169 169 VAL H H 187 7.466 7.466 7.282 0.184 18167 8722 1 10 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.664 -0.192 18167 8723 1 10 . 1 1 2 2 PRO C C 20 177.006 177.006 177.804 -0.798 18167 8724 1 10 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.431 0.609 18167 8725 1 10 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.596 -0.532 18167 8726 1 10 . 1 1 3 3 LEU N N 21 122.423 122.423 121.823 0.600 18167 8727 1 10 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.152 0.189 18167 8728 1 10 . 1 1 3 3 LEU C C 21 177.928 177.928 177.654 0.274 18167 8729 1 10 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.371 -0.053 18167 8730 1 10 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.423 0.843 18167 8731 1 10 . 1 1 3 3 LEU H H 21 8.551 8.551 8.408 0.143 18167 8732 1 10 . 1 1 4 4 GLY N N 22 109.759 109.759 108.041 1.718 18167 8733 1 10 . 1 1 4 4 GLY C C 22 174.309 174.309 173.653 0.656 18167 8734 1 10 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.706 0.524 18167 8735 1 10 . 1 1 4 4 GLY H H 22 8.423 8.423 7.877 0.546 18167 8736 1 10 . 1 1 5 5 SER N N 23 115.538 115.538 119.102 -3.564 18167 8737 1 10 . 1 1 5 5 SER HA H 23 4.488 4.488 4.550 -0.062 18167 8738 1 10 . 1 1 5 5 SER C C 23 174.841 174.841 173.479 1.362 18167 8739 1 10 . 1 1 5 5 SER CA C 23 58.329 58.329 57.542 0.786 18167 8740 1 10 . 1 1 5 5 SER CB C 23 63.957 63.957 64.560 -0.603 18167 8741 1 10 . 1 1 5 5 SER H H 23 8.233 8.233 8.325 -0.092 18167 8742 1 10 . 1 1 6 6 CYS N N 24 120.699 120.699 123.352 -2.653 18167 8743 1 10 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.569 -0.027 18167 8744 1 10 . 1 1 6 6 CYS C C 24 175.079 175.079 176.428 -1.349 18167 8745 1 10 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.456 -0.739 18167 8746 1 10 . 1 1 6 6 CYS CB C 24 27.969 27.969 27.988 -0.018 18167 8747 1 10 . 1 1 6 6 CYS H H 24 8.493 8.493 8.664 -0.171 18167 8748 1 10 . 1 1 7 7 GLY N N 25 110.895 110.895 114.422 -3.527 18167 8749 1 10 . 1 1 7 7 GLY C C 25 174.402 174.402 175.439 -1.037 18167 8750 1 10 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.467 0.011 18167 8751 1 10 . 1 1 7 7 GLY H H 25 8.449 8.449 8.875 -0.426 18167 8752 1 10 . 1 1 8 8 GLY N N 26 108.733 108.733 106.679 2.054 18167 8753 1 10 . 1 1 8 8 GLY C C 26 174.113 174.113 174.158 -0.045 18167 8754 1 10 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.861 0.319 18167 8755 1 10 . 1 1 8 8 GLY H H 26 8.236 8.236 8.024 0.212 18167 8756 1 10 . 1 1 9 9 VAL N N 27 118.903 118.903 118.207 0.696 18167 8757 1 10 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.071 0.054 18167 8758 1 10 . 1 1 9 9 VAL C C 27 176.630 176.630 175.907 0.723 18167 8759 1 10 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.982 -0.597 18167 8760 1 10 . 1 1 9 9 VAL CB C 27 32.521 32.521 31.968 0.553 18167 8761 1 10 . 1 1 9 9 VAL H H 27 8.019 8.019 8.485 -0.466 18167 8762 1 10 . 1 1 10 10 GLY N N 28 112.317 112.317 110.359 1.958 18167 8763 1 10 . 1 1 10 10 GLY C C 28 174.378 174.378 175.291 -0.913 18167 8764 1 10 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.970 0.376 18167 8765 1 10 . 1 1 10 10 GLY H H 28 8.483 8.483 8.056 0.427 18167 8766 1 10 . 1 1 11 11 ILE N N 29 119.788 119.788 122.203 -2.415 18167 8767 1 10 . 1 1 11 11 ILE HA H 29 4.081 4.081 3.884 0.197 18167 8768 1 10 . 1 1 11 11 ILE C C 29 176.168 176.168 176.717 -0.549 18167 8769 1 10 . 1 1 11 11 ILE CA C 29 61.412 61.412 62.717 -1.305 18167 8770 1 10 . 1 1 11 11 ILE CB C 29 38.557 38.557 37.994 0.563 18167 8771 1 10 . 1 1 11 11 ILE H H 29 7.948 7.948 8.532 -0.584 18167 8772 1 10 . 1 1 12 12 ALA N N 30 126.009 126.009 120.419 5.590 18167 8773 1 10 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.419 -0.131 18167 8774 1 10 . 1 1 12 12 ALA C C 30 177.504 177.504 176.272 1.232 18167 8775 1 10 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.163 0.702 18167 8776 1 10 . 1 1 12 12 ALA CB C 30 18.966 18.966 18.803 0.163 18167 8777 1 10 . 1 1 12 12 ALA H H 30 8.247 8.247 7.752 0.495 18167 8778 1 10 . 1 1 13 13 SER N N 31 113.949 113.949 115.921 -1.972 18167 8779 1 10 . 1 1 13 13 SER HA H 31 4.392 4.392 4.522 -0.130 18167 8780 1 10 . 1 1 13 13 SER C C 31 173.644 173.644 172.508 1.136 18167 8781 1 10 . 1 1 13 13 SER CA C 31 58.329 58.329 58.439 -0.110 18167 8782 1 10 . 1 1 13 13 SER CB C 31 63.609 63.609 64.122 -0.513 18167 8783 1 10 . 1 1 13 13 SER H H 31 8.045 8.045 8.404 -0.359 18167 8784 1 10 . 1 1 14 14 LEU N N 32 122.240 122.240 121.570 0.670 18167 8785 1 10 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.413 0.132 18167 8786 1 10 . 1 1 14 14 LEU C C 32 176.001 176.001 175.346 0.655 18167 8787 1 10 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.736 0.141 18167 8788 1 10 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.810 0.435 18167 8789 1 10 . 1 1 14 14 LEU H H 32 7.749 7.749 7.486 0.263 18167 8790 1 10 . 1 1 15 15 GLN N N 33 120.685 120.685 121.175 -0.490 18167 8791 1 10 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.565 -0.183 18167 8792 1 10 . 1 1 15 15 GLN C C 33 172.944 172.944 173.969 -1.025 18167 8793 1 10 . 1 1 15 15 GLN CA C 33 53.461 53.461 54.055 -0.594 18167 8794 1 10 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.538 -0.794 18167 8795 1 10 . 1 1 15 15 GLN H H 33 8.780 8.780 7.759 1.021 18167 8796 1 10 . 1 1 16 16 ARG N N 34 120.341 120.341 120.627 -0.286 18167 8797 1 10 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.717 0.187 18167 8798 1 10 . 1 1 16 16 ARG C C 34 175.846 175.846 175.473 0.373 18167 8799 1 10 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.462 0.239 18167 8800 1 10 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.288 0.454 18167 8801 1 10 . 1 1 16 16 ARG H H 34 8.274 8.274 8.407 -0.133 18167 8802 1 10 . 1 1 17 17 TYR N N 35 128.733 128.733 124.748 3.985 18167 8803 1 10 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.676 -0.118 18167 8804 1 10 . 1 1 17 17 TYR C C 35 173.307 173.307 173.235 0.072 18167 8805 1 10 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.569 0.164 18167 8806 1 10 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.872 -0.289 18167 8807 1 10 . 1 1 17 17 TYR H H 35 9.104 9.104 8.509 0.595 18167 8808 1 10 . 1 1 18 18 SER N N 36 119.150 119.150 119.245 -0.095 18167 8809 1 10 . 1 1 18 18 SER HA H 36 4.786 4.786 4.797 -0.011 18167 8810 1 10 . 1 1 18 18 SER C C 36 172.002 172.002 172.510 -0.508 18167 8811 1 10 . 1 1 18 18 SER CA C 36 56.341 56.341 56.509 -0.168 18167 8812 1 10 . 1 1 18 18 SER CB C 36 65.327 65.327 65.403 -0.076 18167 8813 1 10 . 1 1 18 18 SER H H 36 7.398 7.398 7.821 -0.423 18167 8814 1 10 . 1 1 19 19 ASP N N 37 124.935 124.935 124.581 0.354 18167 8815 1 10 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.970 -0.299 18167 8816 1 10 . 1 1 19 19 ASP C C 37 176.089 176.089 177.031 -0.942 18167 8817 1 10 . 1 1 19 19 ASP CA C 37 52.809 52.809 52.935 -0.126 18167 8818 1 10 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.592 -1.127 18167 8819 1 10 . 1 1 19 19 ASP H H 37 8.607 8.607 8.484 0.123 18167 8820 1 10 . 1 1 20 20 THR N N 38 117.032 117.032 117.231 -0.199 18167 8821 1 10 . 1 1 20 20 THR HA H 38 4.316 4.316 4.050 0.266 18167 8822 1 10 . 1 1 20 20 THR C C 38 175.794 175.794 175.665 0.129 18167 8823 1 10 . 1 1 20 20 THR CA C 38 63.123 63.123 64.706 -1.583 18167 8824 1 10 . 1 1 20 20 THR CB C 38 68.905 68.905 68.987 -0.082 18167 8825 1 10 . 1 1 20 20 THR H H 38 8.470 8.470 8.571 -0.101 18167 8826 1 10 . 1 1 21 21 LYS N N 39 124.893 124.893 121.249 3.644 18167 8827 1 10 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.084 0.105 18167 8828 1 10 . 1 1 21 21 LYS C C 39 177.678 177.678 177.687 -0.009 18167 8829 1 10 . 1 1 21 21 LYS CA C 39 58.795 58.795 58.779 0.016 18167 8830 1 10 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.339 -0.671 18167 8831 1 10 . 1 1 21 21 LYS H H 39 8.201 8.201 7.871 0.330 18167 8832 1 10 . 1 1 22 22 ASP N N 40 118.183 118.183 116.410 1.773 18167 8833 1 10 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.587 0.234 18167 8834 1 10 . 1 1 22 22 ASP C C 40 176.752 176.752 177.194 -0.442 18167 8835 1 10 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.380 0.499 18167 8836 1 10 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.761 1.109 18167 8837 1 10 . 1 1 22 22 ASP H H 40 8.480 8.480 8.126 0.354 18167 8838 1 10 . 1 1 23 23 GLY N N 41 108.978 108.978 108.162 0.816 18167 8839 1 10 . 1 1 23 23 GLY C C 41 172.396 172.396 173.313 -0.917 18167 8840 1 10 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.456 1.660 18167 8841 1 10 . 1 1 23 23 GLY H H 41 7.421 7.421 8.193 -0.772 18167 8842 1 10 . 1 1 24 24 TYR N N 42 112.046 112.046 115.936 -3.890 18167 8843 1 10 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.884 -0.490 18167 8844 1 10 . 1 1 24 24 TYR C C 42 173.028 173.028 173.005 0.023 18167 8845 1 10 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.262 1.570 18167 8846 1 10 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.432 0.422 18167 8847 1 10 . 1 1 24 24 TYR H H 42 7.506 7.506 7.912 -0.406 18167 8848 1 10 . 1 1 25 25 GLU N N 43 117.470 117.470 120.506 -3.036 18167 8849 1 10 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.100 0.368 18167 8850 1 10 . 1 1 25 25 GLU C C 43 173.311 173.311 174.331 -1.020 18167 8851 1 10 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.124 -0.893 18167 8852 1 10 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.015 -0.390 18167 8853 1 10 . 1 1 25 25 GLU H H 43 8.934 8.934 8.833 0.101 18167 8854 1 10 . 1 1 26 26 PHE N N 44 112.795 112.795 117.152 -4.357 18167 8855 1 10 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.132 -0.290 18167 8856 1 10 . 1 1 26 26 PHE C C 44 172.776 172.776 173.154 -0.378 18167 8857 1 10 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.821 -0.205 18167 8858 1 10 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.502 -1.054 18167 8859 1 10 . 1 1 26 26 PHE H H 44 8.532 8.532 8.371 0.161 18167 8860 1 10 . 1 1 27 27 LEU N N 45 119.784 119.784 121.514 -1.730 18167 8861 1 10 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.129 0.391 18167 8862 1 10 . 1 1 27 27 LEU C C 45 174.965 174.965 176.904 -1.939 18167 8863 1 10 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.816 -1.042 18167 8864 1 10 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.407 1.243 18167 8865 1 10 . 1 1 27 27 LEU H H 45 9.241 9.241 8.782 0.459 18167 8866 1 10 . 1 1 28 28 TYR N N 46 113.008 113.008 119.188 -6.180 18167 8867 1 10 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.867 0.046 18167 8868 1 10 . 1 1 28 28 TYR C C 46 171.354 171.354 172.315 -0.961 18167 8869 1 10 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.541 0.216 18167 8870 1 10 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.346 -0.199 18167 8871 1 10 . 1 1 28 28 TYR H H 46 8.951 8.951 8.436 0.515 18167 8872 1 10 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.149 -0.142 18167 8873 1 10 . 1 1 29 29 PRO C C 47 176.165 176.165 176.543 -0.378 18167 8874 1 10 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.025 1.293 18167 8875 1 10 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.574 -1.234 18167 8876 1 10 . 1 1 30 30 ASN N N 48 119.923 119.923 118.847 1.076 18167 8877 1 10 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.432 -0.169 18167 8878 1 10 . 1 1 30 30 ASN C C 48 176.347 176.347 176.607 -0.260 18167 8879 1 10 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.842 1.359 18167 8880 1 10 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.023 0.565 18167 8881 1 10 . 1 1 30 30 ASN H H 48 8.163 8.163 7.830 0.333 18167 8882 1 10 . 1 1 31 31 GLY N N 49 111.442 111.442 106.904 4.538 18167 8883 1 10 . 1 1 31 31 GLY C C 49 174.985 174.985 174.323 0.662 18167 8884 1 10 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.318 0.074 18167 8885 1 10 . 1 1 31 31 GLY H H 49 8.702 8.702 8.709 -0.007 18167 8886 1 10 . 1 1 32 32 TRP N N 50 122.100 122.100 120.984 1.116 18167 8887 1 10 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.340 0.002 18167 8888 1 10 . 1 1 32 32 TRP C C 50 176.370 176.370 177.466 -1.096 18167 8889 1 10 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.345 0.948 18167 8890 1 10 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.207 -0.103 18167 8891 1 10 . 1 1 32 32 TRP H H 50 8.008 8.008 7.608 0.400 18167 8892 1 10 . 1 1 33 33 ILE N N 51 117.163 117.163 119.619 -2.456 18167 8893 1 10 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.814 0.141 18167 8894 1 10 . 1 1 33 33 ILE C C 51 175.549 175.549 174.939 0.610 18167 8895 1 10 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.797 -0.569 18167 8896 1 10 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.026 1.063 18167 8897 1 10 . 1 1 33 33 ILE H H 51 9.249 9.249 8.789 0.460 18167 8898 1 10 . 1 1 34 34 GLY N N 52 111.812 111.812 111.399 0.413 18167 8899 1 10 . 1 1 34 34 GLY C C 52 173.956 173.956 173.808 0.148 18167 8900 1 10 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.708 1.696 18167 8901 1 10 . 1 1 34 34 GLY H H 52 8.787 8.787 8.333 0.454 18167 8902 1 10 . 1 1 35 35 VAL N N 53 122.174 122.174 124.566 -2.392 18167 8903 1 10 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.132 0.012 18167 8904 1 10 . 1 1 35 35 VAL C C 53 174.921 174.921 175.382 -0.461 18167 8905 1 10 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.271 -0.614 18167 8906 1 10 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.800 0.240 18167 8907 1 10 . 1 1 35 35 VAL H H 53 7.763 7.763 8.662 -0.899 18167 8908 1 10 . 1 1 36 36 ASP N N 54 125.424 125.424 126.472 -1.048 18167 8909 1 10 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.686 -0.097 18167 8910 1 10 . 1 1 36 36 ASP C C 54 176.890 176.890 176.002 0.888 18167 8911 1 10 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.554 -0.104 18167 8912 1 10 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.421 -0.248 18167 8913 1 10 . 1 1 36 36 ASP H H 54 8.425 8.425 8.561 -0.136 18167 8914 1 10 . 1 1 37 37 VAL N N 55 120.335 120.335 117.577 2.758 18167 8915 1 10 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.305 -0.137 18167 8916 1 10 . 1 1 37 37 VAL C C 55 176.785 176.785 175.630 1.155 18167 8917 1 10 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.084 0.835 18167 8918 1 10 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.612 -0.822 18167 8919 1 10 . 1 1 37 37 VAL H H 55 8.215 8.215 8.388 -0.173 18167 8920 1 10 . 1 1 38 38 LYS N N 56 124.881 124.881 123.419 1.462 18167 8921 1 10 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.391 -0.189 18167 8922 1 10 . 1 1 38 38 LYS C C 56 177.828 177.828 177.929 -0.101 18167 8923 1 10 . 1 1 38 38 LYS CA C 56 58.003 58.003 56.908 1.095 18167 8924 1 10 . 1 1 38 38 LYS CB C 56 31.637 31.637 31.879 -0.242 18167 8925 1 10 . 1 1 38 38 LYS H H 56 8.331 8.331 8.243 0.088 18167 8926 1 10 . 1 1 39 39 GLY N N 57 111.152 111.152 112.115 -0.963 18167 8927 1 10 . 1 1 39 39 GLY C C 57 174.253 174.253 174.059 0.194 18167 8928 1 10 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.780 0.580 18167 8929 1 10 . 1 1 39 39 GLY H H 57 8.651 8.651 8.940 -0.289 18167 8930 1 10 . 1 1 40 40 ALA N N 58 123.085 123.085 122.919 0.166 18167 8931 1 10 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.387 -0.004 18167 8932 1 10 . 1 1 40 40 ALA C C 58 177.125 177.125 176.830 0.295 18167 8933 1 10 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.168 1.186 18167 8934 1 10 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.857 -0.240 18167 8935 1 10 . 1 1 40 40 ALA H H 58 7.839 7.839 7.522 0.317 18167 8936 1 10 . 1 1 41 41 SER N N 59 115.088 115.088 116.685 -1.597 18167 8937 1 10 . 1 1 41 41 SER HA H 59 4.688 4.688 4.324 0.364 18167 8938 1 10 . 1 1 41 41 SER C C 59 171.885 171.885 173.020 -1.135 18167 8939 1 10 . 1 1 41 41 SER CA C 59 56.951 56.951 58.004 -1.053 18167 8940 1 10 . 1 1 41 41 SER CB C 59 63.123 63.123 62.353 0.770 18167 8941 1 10 . 1 1 41 41 SER H H 59 8.186 8.186 8.335 -0.149 18167 8942 1 10 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.199 0.150 18167 8943 1 10 . 1 1 42 42 PRO C C 60 177.660 177.660 177.570 0.090 18167 8944 1 10 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.398 -0.173 18167 8945 1 10 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.831 -0.290 18167 8946 1 10 . 1 1 43 43 GLY N N 61 111.997 111.997 110.172 1.825 18167 8947 1 10 . 1 1 43 43 GLY C C 61 174.070 174.070 174.156 -0.086 18167 8948 1 10 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.892 0.721 18167 8949 1 10 . 1 1 43 43 GLY H H 61 8.730 8.730 8.515 0.215 18167 8950 1 10 . 1 1 44 44 VAL N N 62 120.539 120.539 121.834 -1.295 18167 8951 1 10 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.843 0.434 18167 8952 1 10 . 1 1 44 44 VAL C C 62 175.277 175.277 175.251 0.026 18167 8953 1 10 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.628 -1.701 18167 8954 1 10 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.566 -0.011 18167 8955 1 10 . 1 1 44 44 VAL H H 62 7.573 7.573 7.735 -0.162 18167 8956 1 10 . 1 1 45 45 ASP N N 63 128.619 128.619 127.218 1.401 18167 8957 1 10 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.804 0.103 18167 8958 1 10 . 1 1 45 45 ASP C C 63 176.177 176.177 175.450 0.727 18167 8959 1 10 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.629 1.226 18167 8960 1 10 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.786 0.489 18167 8961 1 10 . 1 1 45 45 ASP H H 63 9.084 9.084 8.481 0.603 18167 8962 1 10 . 1 1 46 46 VAL N N 64 115.687 115.687 118.554 -2.867 18167 8963 1 10 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.251 0.059 18167 8964 1 10 . 1 1 46 46 VAL C C 64 172.853 172.853 173.993 -1.140 18167 8965 1 10 . 1 1 46 46 VAL CA C 64 61.171 61.171 61.014 0.157 18167 8966 1 10 . 1 1 46 46 VAL CB C 64 35.908 35.908 36.021 -0.113 18167 8967 1 10 . 1 1 46 46 VAL H H 64 7.314 7.314 7.501 -0.187 18167 8968 1 10 . 1 1 47 47 VAL N N 65 124.933 124.933 123.034 1.899 18167 8969 1 10 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.399 0.657 18167 8970 1 10 . 1 1 47 47 VAL C C 65 175.266 175.266 174.018 1.248 18167 8971 1 10 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.172 -0.090 18167 8972 1 10 . 1 1 47 47 VAL CB C 65 36.667 36.667 33.837 2.830 18167 8973 1 10 . 1 1 47 47 VAL H H 65 8.146 8.146 7.886 0.260 18167 8974 1 10 . 1 1 48 48 PHE N N 66 122.916 122.916 126.639 -3.723 18167 8975 1 10 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.336 0.155 18167 8976 1 10 . 1 1 48 48 PHE C C 66 174.371 174.371 174.751 -0.380 18167 8977 1 10 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.282 0.247 18167 8978 1 10 . 1 1 48 48 PHE CB C 66 44.159 44.159 41.971 2.188 18167 8979 1 10 . 1 1 48 48 PHE H H 66 8.469 8.469 9.417 -0.948 18167 8980 1 10 . 1 1 49 49 ARG N N 67 116.381 116.381 120.854 -4.473 18167 8981 1 10 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.427 0.078 18167 8982 1 10 . 1 1 49 49 ARG C C 67 173.455 173.455 173.702 -0.247 18167 8983 1 10 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.535 -0.701 18167 8984 1 10 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.644 0.254 18167 8985 1 10 . 1 1 49 49 ARG H H 67 9.271 9.271 8.672 0.599 18167 8986 1 10 . 1 1 50 50 ASP N N 68 121.066 121.066 122.242 -1.176 18167 8987 1 10 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.496 -0.445 18167 8988 1 10 . 1 1 50 50 ASP C C 68 176.670 176.670 176.303 0.367 18167 8989 1 10 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.026 1.590 18167 8990 1 10 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.918 0.983 18167 8991 1 10 . 1 1 50 50 ASP H H 68 7.165 7.165 7.954 -0.789 18167 8992 1 10 . 1 1 51 51 LEU N N 69 124.078 124.078 126.993 -2.915 18167 8993 1 10 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.118 -0.093 18167 8994 1 10 . 1 1 51 51 LEU C C 69 177.463 177.463 177.971 -0.508 18167 8995 1 10 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.317 0.091 18167 8996 1 10 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.456 0.692 18167 8997 1 10 . 1 1 51 51 LEU H H 69 8.314 8.314 7.979 0.335 18167 8998 1 10 . 1 1 52 52 ILE N N 70 118.341 118.341 116.857 1.484 18167 8999 1 10 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.929 0.144 18167 9000 1 10 . 1 1 52 52 ILE C C 70 177.093 177.093 177.005 0.088 18167 9001 1 10 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.377 -1.519 18167 9002 1 10 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.487 1.133 18167 9003 1 10 . 1 1 52 52 ILE H H 70 8.178 8.178 7.768 0.410 18167 9004 1 10 . 1 1 53 53 GLU N N 71 122.254 122.254 117.683 4.571 18167 9005 1 10 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.520 -0.136 18167 9006 1 10 . 1 1 53 53 GLU C C 71 176.084 176.084 176.486 -0.402 18167 9007 1 10 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.540 -0.732 18167 9008 1 10 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.975 -1.217 18167 9009 1 10 . 1 1 53 53 GLU H H 71 8.974 8.974 8.410 0.564 18167 9010 1 10 . 1 1 54 54 ARG N N 72 121.414 121.414 125.519 -4.105 18167 9011 1 10 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.191 -0.209 18167 9012 1 10 . 1 1 54 54 ARG C C 72 176.478 176.478 176.096 0.382 18167 9013 1 10 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.272 -0.032 18167 9014 1 10 . 1 1 54 54 ARG CB C 72 29.964 29.964 29.663 0.301 18167 9015 1 10 . 1 1 54 54 ARG H H 72 8.052 8.052 8.711 -0.659 18167 9016 1 10 . 1 1 55 55 ASP N N 73 117.425 117.425 118.520 -1.095 18167 9017 1 10 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.532 -0.081 18167 9018 1 10 . 1 1 55 55 ASP C C 73 173.783 173.783 176.338 -2.555 18167 9019 1 10 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.818 -0.744 18167 9020 1 10 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.739 0.003 18167 9021 1 10 . 1 1 55 55 ASP H H 73 8.455 8.455 8.509 -0.054 18167 9022 1 10 . 1 1 56 56 GLU N N 74 124.050 124.050 118.068 5.982 18167 9023 1 10 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.619 0.880 18167 9024 1 10 . 1 1 56 56 GLU C C 74 174.110 174.110 174.967 -0.857 18167 9025 1 10 . 1 1 56 56 GLU CA C 74 56.478 56.478 55.293 1.185 18167 9026 1 10 . 1 1 56 56 GLU CB C 74 32.446 32.446 31.400 1.046 18167 9027 1 10 . 1 1 56 56 GLU H H 74 7.773 7.773 7.614 0.159 18167 9028 1 10 . 1 1 57 57 ASN N N 75 119.794 119.794 118.300 1.494 18167 9029 1 10 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.677 0.086 18167 9030 1 10 . 1 1 57 57 ASN C C 75 171.893 171.893 172.995 -1.102 18167 9031 1 10 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.965 -0.002 18167 9032 1 10 . 1 1 57 57 ASN CB C 75 42.369 42.369 41.492 0.877 18167 9033 1 10 . 1 1 57 57 ASN H H 75 8.891 8.891 8.696 0.195 18167 9034 1 10 . 1 1 58 58 LEU N N 76 116.438 116.438 121.864 -5.426 18167 9035 1 10 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.025 0.316 18167 9036 1 10 . 1 1 58 58 LEU C C 76 174.630 174.630 174.433 0.197 18167 9037 1 10 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.496 -0.668 18167 9038 1 10 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.549 0.330 18167 9039 1 10 . 1 1 58 58 LEU H H 76 9.166 9.166 8.390 0.776 18167 9040 1 10 . 1 1 59 59 SER N N 77 114.543 114.543 119.303 -4.760 18167 9041 1 10 . 1 1 59 59 SER HA H 77 5.432 5.432 4.994 0.438 18167 9042 1 10 . 1 1 59 59 SER C C 77 172.602 172.602 172.549 0.053 18167 9043 1 10 . 1 1 59 59 SER CA C 77 56.593 56.593 56.785 -0.192 18167 9044 1 10 . 1 1 59 59 SER CB C 77 66.720 66.720 65.558 1.162 18167 9045 1 10 . 1 1 59 59 SER H H 77 8.352 8.352 8.667 -0.315 18167 9046 1 10 . 1 1 60 60 VAL N N 78 122.017 122.017 120.110 1.907 18167 9047 1 10 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.965 0.004 18167 9048 1 10 . 1 1 60 60 VAL C C 78 174.861 174.861 174.199 0.662 18167 9049 1 10 . 1 1 60 60 VAL CA C 78 61.184 61.184 59.914 1.270 18167 9050 1 10 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.937 -0.625 18167 9051 1 10 . 1 1 60 60 VAL H H 78 8.306 8.306 8.458 -0.152 18167 9052 1 10 . 1 1 61 61 ILE N N 79 128.458 128.458 125.025 3.433 18167 9053 1 10 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.707 0.014 18167 9054 1 10 . 1 1 61 61 ILE C C 79 175.639 175.639 174.679 0.960 18167 9055 1 10 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.118 0.126 18167 9056 1 10 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.498 0.788 18167 9057 1 10 . 1 1 61 61 ILE H H 79 9.193 9.193 7.865 1.328 18167 9058 1 10 . 1 1 62 62 ILE N N 80 129.957 129.957 127.230 2.727 18167 9059 1 10 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.100 -0.058 18167 9060 1 10 . 1 1 62 62 ILE C C 80 175.727 175.727 175.258 0.469 18167 9061 1 10 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.080 2.078 18167 9062 1 10 . 1 1 62 62 ILE CB C 80 39.777 39.777 38.627 1.150 18167 9063 1 10 . 1 1 62 62 ILE H H 80 9.140 9.140 8.992 0.148 18167 9064 1 10 . 1 1 63 63 SER N N 81 122.084 122.084 121.096 0.988 18167 9065 1 10 . 1 1 63 63 SER HA H 81 4.878 4.878 4.863 0.015 18167 9066 1 10 . 1 1 63 63 SER C C 81 172.933 172.933 172.299 0.634 18167 9067 1 10 . 1 1 63 63 SER CA C 81 56.689 56.689 57.248 -0.559 18167 9068 1 10 . 1 1 63 63 SER CB C 81 65.862 65.862 66.588 -0.726 18167 9069 1 10 . 1 1 63 63 SER H H 81 9.079 9.079 8.577 0.502 18167 9070 1 10 . 1 1 64 64 GLU N N 82 121.983 121.983 122.135 -0.152 18167 9071 1 10 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.665 -0.073 18167 9072 1 10 . 1 1 64 64 GLU C C 82 176.501 176.501 175.860 0.641 18167 9073 1 10 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.972 1.869 18167 9074 1 10 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.338 -0.828 18167 9075 1 10 . 1 1 64 64 GLU H H 82 8.664 8.664 8.571 0.093 18167 9076 1 10 . 1 1 65 65 ILE N N 83 121.194 121.194 120.868 0.326 18167 9077 1 10 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.578 -0.001 18167 9078 1 10 . 1 1 65 65 ILE C C 83 173.233 173.233 174.086 -0.853 18167 9079 1 10 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.175 0.623 18167 9080 1 10 . 1 1 65 65 ILE CB C 83 39.488 39.488 38.132 1.357 18167 9081 1 10 . 1 1 65 65 ILE H H 83 8.271 8.271 8.370 -0.099 18167 9082 1 10 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.569 -0.118 18167 9083 1 10 . 1 1 66 66 PRO C C 84 177.697 177.697 177.432 0.265 18167 9084 1 10 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.651 0.545 18167 9085 1 10 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.533 -0.468 18167 9086 1 10 . 1 1 67 67 SER N N 85 116.018 116.018 117.931 -1.913 18167 9087 1 10 . 1 1 67 67 SER HA H 85 4.149 4.149 4.153 -0.004 18167 9088 1 10 . 1 1 67 67 SER C C 85 174.387 174.387 175.625 -1.238 18167 9089 1 10 . 1 1 67 67 SER CA C 85 60.348 60.348 60.320 0.028 18167 9090 1 10 . 1 1 67 67 SER CB C 85 63.402 63.402 63.181 0.221 18167 9091 1 10 . 1 1 67 67 SER H H 85 8.465 8.465 8.548 -0.083 18167 9092 1 10 . 1 1 68 68 ASP N N 86 118.568 118.568 118.450 0.118 18167 9093 1 10 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.557 0.001 18167 9094 1 10 . 1 1 68 68 ASP C C 86 175.732 175.732 175.951 -0.219 18167 9095 1 10 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.427 -1.617 18167 9096 1 10 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.203 -0.985 18167 9097 1 10 . 1 1 68 68 ASP H H 86 8.531 8.531 8.355 0.176 18167 9098 1 10 . 1 1 69 69 LYS N N 87 119.225 119.225 116.918 2.307 18167 9099 1 10 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.593 0.089 18167 9100 1 10 . 1 1 69 69 LYS C C 87 175.814 175.814 174.798 1.016 18167 9101 1 10 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.375 -0.514 18167 9102 1 10 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.540 -1.834 18167 9103 1 10 . 1 1 69 69 LYS H H 87 7.653 7.653 7.429 0.224 18167 9104 1 10 . 1 1 70 70 THR N N 88 113.175 113.175 113.603 -0.428 18167 9105 1 10 . 1 1 70 70 THR HA H 88 4.529 4.529 4.503 0.026 18167 9106 1 10 . 1 1 70 70 THR C C 88 175.278 175.278 175.572 -0.294 18167 9107 1 10 . 1 1 70 70 THR CA C 88 60.699 60.699 60.028 0.671 18167 9108 1 10 . 1 1 70 70 THR CB C 88 70.710 70.710 70.681 0.029 18167 9109 1 10 . 1 1 70 70 THR H H 88 8.608 8.608 8.065 0.543 18167 9110 1 10 . 1 1 71 71 LEU N N 89 121.978 121.978 123.120 -1.142 18167 9111 1 10 . 1 1 71 71 LEU HA H 89 3.937 3.937 4.006 -0.069 18167 9112 1 10 . 1 1 71 71 LEU C C 89 177.698 177.698 177.536 0.162 18167 9113 1 10 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.186 -0.422 18167 9114 1 10 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.779 0.716 18167 9115 1 10 . 1 1 71 71 LEU H H 89 7.998 7.998 8.582 -0.584 18167 9116 1 10 . 1 1 72 72 THR N N 90 106.680 106.680 109.283 -2.603 18167 9117 1 10 . 1 1 72 72 THR HA H 90 4.221 4.221 4.022 0.199 18167 9118 1 10 . 1 1 72 72 THR C C 90 176.248 176.248 175.225 1.023 18167 9119 1 10 . 1 1 72 72 THR CA C 90 63.648 63.648 64.949 -1.301 18167 9120 1 10 . 1 1 72 72 THR CB C 90 68.620 68.620 68.566 0.054 18167 9121 1 10 . 1 1 72 72 THR H H 90 7.798 7.798 7.843 -0.045 18167 9122 1 10 . 1 1 73 73 ASP N N 91 120.626 120.626 120.288 0.338 18167 9123 1 10 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.552 0.058 18167 9124 1 10 . 1 1 73 73 ASP C C 91 177.133 177.133 178.063 -0.930 18167 9125 1 10 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.812 -0.211 18167 9126 1 10 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.705 0.968 18167 9127 1 10 . 1 1 73 73 ASP H H 91 7.805 7.805 8.177 -0.372 18167 9128 1 10 . 1 1 74 74 LEU N N 92 120.238 120.238 119.850 0.388 18167 9129 1 10 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.003 0.218 18167 9130 1 10 . 1 1 74 74 LEU C C 92 176.907 176.907 176.469 0.438 18167 9131 1 10 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.510 -0.867 18167 9132 1 10 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.766 -1.442 18167 9133 1 10 . 1 1 74 74 LEU H H 92 8.182 8.182 8.167 0.015 18167 9134 1 10 . 1 1 75 75 GLY N N 93 105.772 105.772 100.833 4.939 18167 9135 1 10 . 1 1 75 75 GLY C C 93 173.853 173.853 171.874 1.979 18167 9136 1 10 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.650 -0.622 18167 9137 1 10 . 1 1 75 75 GLY H H 93 7.713 7.713 7.346 0.367 18167 9138 1 10 . 1 1 76 76 THR N N 94 111.354 111.354 109.462 1.892 18167 9139 1 10 . 1 1 76 76 THR HA H 94 4.426 4.426 4.769 -0.343 18167 9140 1 10 . 1 1 76 76 THR C C 94 174.396 174.396 175.908 -1.512 18167 9141 1 10 . 1 1 76 76 THR CA C 94 61.220 61.220 59.666 1.554 18167 9142 1 10 . 1 1 76 76 THR CB C 94 71.400 71.400 72.136 -0.736 18167 9143 1 10 . 1 1 76 76 THR H H 94 8.842 8.842 8.209 0.633 18167 9144 1 10 . 1 1 77 77 ALA N N 95 122.586 122.586 123.523 -0.937 18167 9145 1 10 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.950 -0.624 18167 9146 1 10 . 1 1 77 77 ALA C C 95 179.120 179.120 179.309 -0.189 18167 9147 1 10 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.498 0.126 18167 9148 1 10 . 1 1 77 77 ALA CB C 95 16.979 16.979 18.039 -1.060 18167 9149 1 10 . 1 1 77 77 ALA H H 95 8.861 8.861 8.966 -0.105 18167 9150 1 10 . 1 1 78 78 THR N N 96 110.298 110.298 114.663 -4.365 18167 9151 1 10 . 1 1 78 78 THR HA H 96 3.479 3.479 3.984 -0.505 18167 9152 1 10 . 1 1 78 78 THR C C 96 175.297 175.297 176.579 -1.282 18167 9153 1 10 . 1 1 78 78 THR CA C 96 66.314 66.314 66.326 -0.012 18167 9154 1 10 . 1 1 78 78 THR CB C 96 68.335 68.335 68.483 -0.148 18167 9155 1 10 . 1 1 78 78 THR H H 96 7.757 7.757 7.770 -0.013 18167 9156 1 10 . 1 1 79 79 ASP N N 97 122.829 122.829 122.575 0.254 18167 9157 1 10 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.614 -0.202 18167 9158 1 10 . 1 1 79 79 ASP C C 97 179.693 179.693 178.735 0.958 18167 9159 1 10 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.338 0.656 18167 9160 1 10 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.742 -0.211 18167 9161 1 10 . 1 1 79 79 ASP H H 97 7.448 7.448 8.092 -0.644 18167 9162 1 10 . 1 1 80 80 VAL N N 98 121.175 121.175 119.560 1.615 18167 9163 1 10 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.794 -0.312 18167 9164 1 10 . 1 1 80 80 VAL C C 98 178.667 178.667 178.379 0.288 18167 9165 1 10 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.521 0.036 18167 9166 1 10 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.528 -0.020 18167 9167 1 10 . 1 1 80 80 VAL H H 98 8.390 8.390 8.727 -0.337 18167 9168 1 10 . 1 1 81 81 GLY N N 99 108.920 108.920 108.140 0.780 18167 9169 1 10 . 1 1 81 81 GLY C C 99 175.133 175.133 176.146 -1.013 18167 9170 1 10 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.434 1.616 18167 9171 1 10 . 1 1 81 81 GLY H H 99 8.630 8.630 7.888 0.742 18167 9172 1 10 . 1 1 82 82 TYR N N 100 121.598 121.598 122.053 -0.455 18167 9173 1 10 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.285 0.043 18167 9174 1 10 . 1 1 82 82 TYR C C 100 179.383 179.383 178.473 0.910 18167 9175 1 10 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.503 0.236 18167 9176 1 10 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.145 -1.046 18167 9177 1 10 . 1 1 82 82 TYR H H 100 8.880 8.880 7.878 1.002 18167 9178 1 10 . 1 1 83 83 ARG N N 101 121.436 121.436 119.460 1.976 18167 9179 1 10 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.988 0.099 18167 9180 1 10 . 1 1 83 83 ARG C C 101 178.906 178.906 178.731 0.175 18167 9181 1 10 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.779 -0.232 18167 9182 1 10 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.051 -0.428 18167 9183 1 10 . 1 1 83 83 ARG H H 101 8.102 8.102 8.273 -0.171 18167 9184 1 10 . 1 1 84 84 PHE N N 102 121.581 121.581 122.188 -0.607 18167 9185 1 10 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.231 0.156 18167 9186 1 10 . 1 1 84 84 PHE C C 102 177.731 177.731 177.088 0.643 18167 9187 1 10 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.065 -1.059 18167 9188 1 10 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.110 -0.869 18167 9189 1 10 . 1 1 84 84 PHE H H 102 8.511 8.511 8.631 -0.120 18167 9190 1 10 . 1 1 85 85 MET N N 103 117.909 117.909 118.022 -0.113 18167 9191 1 10 . 1 1 85 85 MET HA H 103 3.850 3.850 3.820 0.030 18167 9192 1 10 . 1 1 85 85 MET C C 103 178.063 178.063 178.341 -0.278 18167 9193 1 10 . 1 1 85 85 MET CA C 103 57.352 57.352 57.597 -0.245 18167 9194 1 10 . 1 1 85 85 MET CB C 103 33.654 33.654 31.187 2.467 18167 9195 1 10 . 1 1 85 85 MET H H 103 8.350 8.350 7.790 0.560 18167 9196 1 10 . 1 1 86 86 LYS N N 104 118.874 118.874 120.185 -1.311 18167 9197 1 10 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.936 0.068 18167 9198 1 10 . 1 1 86 86 LYS C C 104 177.910 177.910 179.014 -1.104 18167 9199 1 10 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.813 -0.365 18167 9200 1 10 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.339 -0.654 18167 9201 1 10 . 1 1 86 86 LYS H H 104 7.578 7.578 7.797 -0.219 18167 9202 1 10 . 1 1 87 87 THR N N 105 114.567 114.567 115.863 -1.296 18167 9203 1 10 . 1 1 87 87 THR HA H 105 3.949 3.949 3.992 -0.043 18167 9204 1 10 . 1 1 87 87 THR C C 105 176.912 176.912 176.460 0.452 18167 9205 1 10 . 1 1 87 87 THR CA C 105 66.108 66.108 66.628 -0.520 18167 9206 1 10 . 1 1 87 87 THR CB C 105 68.909 68.909 68.540 0.369 18167 9207 1 10 . 1 1 87 87 THR H H 105 7.667 7.667 7.782 -0.115 18167 9208 1 10 . 1 1 88 88 VAL N N 106 122.160 122.160 120.339 1.821 18167 9209 1 10 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.525 -0.034 18167 9210 1 10 . 1 1 88 88 VAL C C 106 178.950 178.950 178.118 0.832 18167 9211 1 10 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.591 0.233 18167 9212 1 10 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.291 0.218 18167 9213 1 10 . 1 1 88 88 VAL H H 106 7.600 7.600 7.831 -0.231 18167 9214 1 10 . 1 1 89 89 ASN N N 107 120.741 120.741 119.076 1.665 18167 9215 1 10 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.392 0.098 18167 9216 1 10 . 1 1 89 89 ASN C C 107 178.483 178.483 177.337 1.146 18167 9217 1 10 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.029 0.913 18167 9218 1 10 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.623 0.267 18167 9219 1 10 . 1 1 89 89 ASN H H 107 8.501 8.501 8.351 0.150 18167 9220 1 10 . 1 1 90 90 ASP N N 108 121.211 121.211 120.491 0.720 18167 9221 1 10 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.340 0.140 18167 9222 1 10 . 1 1 90 90 ASP C C 108 177.598 177.598 177.102 0.496 18167 9223 1 10 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.910 -0.543 18167 9224 1 10 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.620 -0.378 18167 9225 1 10 . 1 1 90 90 ASP H H 108 8.824 8.824 8.362 0.462 18167 9226 1 10 . 1 1 91 91 ALA N N 109 121.181 121.181 118.488 2.693 18167 9227 1 10 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.458 -0.066 18167 9228 1 10 . 1 1 91 91 ALA C C 109 177.936 177.936 177.900 0.036 18167 9229 1 10 . 1 1 91 91 ALA CA C 109 52.692 52.692 52.700 -0.008 18167 9230 1 10 . 1 1 91 91 ALA CB C 109 18.889 18.889 20.097 -1.208 18167 9231 1 10 . 1 1 91 91 ALA H H 109 7.507 7.507 7.401 0.106 18167 9232 1 10 . 1 1 92 92 SER N N 110 113.785 113.785 113.278 0.507 18167 9233 1 10 . 1 1 92 92 SER HA H 110 4.537 4.537 4.339 0.198 18167 9234 1 10 . 1 1 92 92 SER C C 110 174.252 174.252 175.224 -0.972 18167 9235 1 10 . 1 1 92 92 SER CA C 110 58.565 58.565 58.616 -0.051 18167 9236 1 10 . 1 1 92 92 SER CB C 110 64.795 64.795 64.431 0.364 18167 9237 1 10 . 1 1 92 92 SER H H 110 7.611 7.611 7.435 0.176 18167 9238 1 10 . 1 1 93 93 GLN N N 111 119.994 119.994 121.174 -1.180 18167 9239 1 10 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.142 0.281 18167 9240 1 10 . 1 1 93 93 GLN C C 111 176.441 176.441 176.915 -0.474 18167 9241 1 10 . 1 1 93 93 GLN CA C 111 55.792 55.792 56.821 -1.029 18167 9242 1 10 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.458 0.385 18167 9243 1 10 . 1 1 93 93 GLN H H 111 8.414 8.414 8.389 0.025 18167 9244 1 10 . 1 1 94 94 GLY N N 112 107.948 107.948 109.468 -1.520 18167 9245 1 10 . 1 1 94 94 GLY C C 112 174.406 174.406 174.980 -0.574 18167 9246 1 10 . 1 1 94 94 GLY CA C 112 45.942 45.942 45.821 0.121 18167 9247 1 10 . 1 1 94 94 GLY H H 112 8.467 8.467 8.438 0.029 18167 9248 1 10 . 1 1 95 95 ASP N N 113 119.500 119.500 120.130 -0.630 18167 9249 1 10 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.736 -0.180 18167 9250 1 10 . 1 1 95 95 ASP C C 113 175.438 175.438 175.955 -0.517 18167 9251 1 10 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.326 0.354 18167 9252 1 10 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.439 -1.245 18167 9253 1 10 . 1 1 95 95 ASP H H 113 8.423 8.423 8.375 0.048 18167 9254 1 10 . 1 1 96 96 ARG N N 114 118.992 118.992 119.874 -0.882 18167 9255 1 10 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.914 0.147 18167 9256 1 10 . 1 1 96 96 ARG C C 114 175.699 175.699 175.596 0.103 18167 9257 1 10 . 1 1 96 96 ARG CA C 114 55.043 55.043 54.761 0.282 18167 9258 1 10 . 1 1 96 96 ARG CB C 114 32.640 32.640 32.089 0.551 18167 9259 1 10 . 1 1 96 96 ARG H H 114 7.507 7.507 7.540 -0.033 18167 9260 1 10 . 1 1 97 97 GLN N N 115 121.149 121.149 119.226 1.923 18167 9261 1 10 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.787 -0.118 18167 9262 1 10 . 1 1 97 97 GLN C C 115 173.696 173.696 174.246 -0.550 18167 9263 1 10 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.586 -0.029 18167 9264 1 10 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.879 -1.806 18167 9265 1 10 . 1 1 97 97 GLN H H 115 8.814 8.814 8.696 0.118 18167 9266 1 10 . 1 1 98 98 ALA N N 116 129.789 129.789 124.345 5.444 18167 9267 1 10 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.165 0.151 18167 9268 1 10 . 1 1 98 98 ALA C C 116 176.503 176.503 176.439 0.064 18167 9269 1 10 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.520 0.293 18167 9270 1 10 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.540 0.502 18167 9271 1 10 . 1 1 98 98 ALA H H 116 9.836 9.836 8.455 1.381 18167 9272 1 10 . 1 1 99 99 GLU N N 117 122.780 122.780 122.992 -0.212 18167 9273 1 10 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.667 -0.064 18167 9274 1 10 . 1 1 99 99 GLU C C 117 174.361 174.361 174.975 -0.614 18167 9275 1 10 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.496 -0.176 18167 9276 1 10 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.044 0.268 18167 9277 1 10 . 1 1 99 99 GLU H H 117 9.252 9.252 8.606 0.646 18167 9278 1 10 . 1 1 100 100 LEU N N 118 127.043 127.043 128.270 -1.227 18167 9279 1 10 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.431 -0.124 18167 9280 1 10 . 1 1 100 100 LEU C C 118 176.338 176.338 176.628 -0.290 18167 9281 1 10 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.748 0.774 18167 9282 1 10 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.118 0.523 18167 9283 1 10 . 1 1 100 100 LEU H H 118 8.765 8.765 8.747 0.018 18167 9284 1 10 . 1 1 101 101 ILE N N 119 128.101 128.101 127.616 0.485 18167 9285 1 10 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.831 0.265 18167 9286 1 10 . 1 1 101 101 ILE C C 119 175.634 175.634 176.267 -0.633 18167 9287 1 10 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.601 -1.198 18167 9288 1 10 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.587 0.471 18167 9289 1 10 . 1 1 101 101 ILE H H 119 9.244 9.244 8.753 0.491 18167 9290 1 10 . 1 1 102 102 ASN N N 120 114.715 114.715 114.471 0.244 18167 9291 1 10 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.792 0.163 18167 9292 1 10 . 1 1 102 102 ASN C C 120 172.326 172.326 173.020 -0.694 18167 9293 1 10 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.111 1.262 18167 9294 1 10 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.377 2.510 18167 9295 1 10 . 1 1 102 102 ASN H H 120 7.989 7.989 7.961 0.028 18167 9296 1 10 . 1 1 103 103 ALA N N 121 125.011 125.011 120.612 4.399 18167 9297 1 10 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.040 0.417 18167 9298 1 10 . 1 1 103 103 ALA C C 121 175.068 175.068 175.664 -0.596 18167 9299 1 10 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.829 -0.470 18167 9300 1 10 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.099 1.310 18167 9301 1 10 . 1 1 103 103 ALA H H 121 8.182 8.182 8.500 -0.318 18167 9302 1 10 . 1 1 104 104 GLU N N 122 121.148 121.148 120.006 1.142 18167 9303 1 10 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.557 0.138 18167 9304 1 10 . 1 1 104 104 GLU C C 122 173.666 173.666 174.098 -0.432 18167 9305 1 10 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.848 0.245 18167 9306 1 10 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.597 -0.087 18167 9307 1 10 . 1 1 104 104 GLU H H 122 8.817 8.817 8.490 0.327 18167 9308 1 10 . 1 1 105 105 ALA N N 123 124.441 124.441 123.554 0.887 18167 9309 1 10 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.423 0.104 18167 9310 1 10 . 1 1 105 105 ALA C C 123 176.479 176.479 176.596 -0.117 18167 9311 1 10 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.746 0.385 18167 9312 1 10 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.821 1.030 18167 9313 1 10 . 1 1 105 105 ALA H H 123 8.860 8.860 8.417 0.443 18167 9314 1 10 . 1 1 106 106 ARG N N 124 120.892 120.892 120.092 0.800 18167 9315 1 10 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.785 0.038 18167 9316 1 10 . 1 1 106 106 ARG C C 124 172.820 172.820 174.426 -1.606 18167 9317 1 10 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.275 0.497 18167 9318 1 10 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.341 -1.071 18167 9319 1 10 . 1 1 106 106 ARG H H 124 9.209 9.209 9.028 0.181 18167 9320 1 10 . 1 1 107 107 ASP N N 125 122.706 122.706 122.683 0.023 18167 9321 1 10 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.752 -0.513 18167 9322 1 10 . 1 1 107 107 ASP C C 125 176.097 176.097 175.500 0.597 18167 9323 1 10 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.032 -0.088 18167 9324 1 10 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.307 0.831 18167 9325 1 10 . 1 1 107 107 ASP H H 125 8.633 8.633 8.672 -0.039 18167 9326 1 10 . 1 1 108 108 GLU N N 126 126.120 126.120 125.218 0.902 18167 9327 1 10 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.676 0.029 18167 9328 1 10 . 1 1 108 108 GLU C C 126 175.768 175.768 176.135 -0.367 18167 9329 1 10 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.507 -0.490 18167 9330 1 10 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.663 -3.239 18167 9331 1 10 . 1 1 108 108 GLU H H 126 9.152 9.152 9.330 -0.178 18167 9332 1 10 . 1 1 109 109 ASP N N 127 126.277 126.277 123.473 2.804 18167 9333 1 10 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.377 -0.023 18167 9334 1 10 . 1 1 109 109 ASP C C 127 175.414 175.414 176.510 -1.096 18167 9335 1 10 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.015 0.375 18167 9336 1 10 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.118 0.124 18167 9337 1 10 . 1 1 109 109 ASP H H 127 9.067 9.067 9.214 -0.147 18167 9338 1 10 . 1 1 110 110 GLY N N 128 106.859 106.859 103.618 3.241 18167 9339 1 10 . 1 1 110 110 GLY C C 128 173.761 173.761 174.409 -0.648 18167 9340 1 10 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.181 0.061 18167 9341 1 10 . 1 1 110 110 GLY H H 128 9.008 9.008 8.720 0.288 18167 9342 1 10 . 1 1 111 111 GLN N N 129 123.033 123.033 119.467 3.566 18167 9343 1 10 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.511 -0.128 18167 9344 1 10 . 1 1 111 111 GLN C C 129 173.901 173.901 174.255 -0.354 18167 9345 1 10 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.577 -0.641 18167 9346 1 10 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.646 -1.463 18167 9347 1 10 . 1 1 111 111 GLN H H 129 7.825 7.825 8.073 -0.248 18167 9348 1 10 . 1 1 112 112 VAL N N 130 128.263 128.263 121.451 6.812 18167 9349 1 10 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.822 0.050 18167 9350 1 10 . 1 1 112 112 VAL C C 130 175.591 175.591 174.702 0.889 18167 9351 1 10 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.152 0.951 18167 9352 1 10 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.446 -0.073 18167 9353 1 10 . 1 1 112 112 VAL H H 130 8.330 8.330 8.604 -0.274 18167 9354 1 10 . 1 1 113 113 TYR N N 131 126.702 126.702 124.923 1.779 18167 9355 1 10 . 1 1 113 113 TYR HA H 131 5.050 5.050 5.002 0.048 18167 9356 1 10 . 1 1 113 113 TYR C C 131 175.477 175.477 175.026 0.451 18167 9357 1 10 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.119 0.304 18167 9358 1 10 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.441 1.048 18167 9359 1 10 . 1 1 113 113 TYR H H 131 9.136 9.136 9.459 -0.323 18167 9360 1 10 . 1 1 114 114 TYR N N 132 121.626 121.626 124.501 -2.875 18167 9361 1 10 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.142 0.688 18167 9362 1 10 . 1 1 114 114 TYR C C 132 175.368 175.368 175.552 -0.184 18167 9363 1 10 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.843 -1.775 18167 9364 1 10 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.785 -0.468 18167 9365 1 10 . 1 1 114 114 TYR H H 132 9.577 9.577 9.543 0.034 18167 9366 1 10 . 1 1 115 115 THR N N 133 120.018 120.018 121.640 -1.622 18167 9367 1 10 . 1 1 115 115 THR HA H 133 5.486 5.486 4.622 0.864 18167 9368 1 10 . 1 1 115 115 THR C C 133 174.327 174.327 172.791 1.536 18167 9369 1 10 . 1 1 115 115 THR CA C 133 61.648 61.648 62.212 -0.564 18167 9370 1 10 . 1 1 115 115 THR CB C 133 69.622 69.622 70.144 -0.522 18167 9371 1 10 . 1 1 115 115 THR H H 133 9.351 9.351 9.343 0.008 18167 9372 1 10 . 1 1 116 116 LEU N N 134 127.249 127.249 127.941 -0.692 18167 9373 1 10 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.814 0.481 18167 9374 1 10 . 1 1 116 116 LEU C C 134 174.347 174.347 174.396 -0.049 18167 9375 1 10 . 1 1 116 116 LEU CA C 134 52.628 52.628 53.675 -1.047 18167 9376 1 10 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.670 -0.135 18167 9377 1 10 . 1 1 116 116 LEU H H 134 10.010 10.010 9.235 0.775 18167 9378 1 10 . 1 1 117 117 GLU N N 135 124.969 124.969 127.664 -2.695 18167 9379 1 10 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.656 0.922 18167 9380 1 10 . 1 1 117 117 GLU C C 135 175.635 175.635 174.994 0.641 18167 9381 1 10 . 1 1 117 117 GLU CA C 135 54.139 54.139 55.079 -0.940 18167 9382 1 10 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.203 -0.040 18167 9383 1 10 . 1 1 117 117 GLU H H 135 9.109 9.109 8.392 0.717 18167 9384 1 10 . 1 1 118 118 TYR N N 136 125.868 125.868 123.226 2.642 18167 9385 1 10 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.550 -0.275 18167 9386 1 10 . 1 1 118 118 TYR C C 136 170.317 170.317 172.701 -2.384 18167 9387 1 10 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.933 0.078 18167 9388 1 10 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.195 0.321 18167 9389 1 10 . 1 1 118 118 TYR H H 136 8.973 8.973 8.538 0.435 18167 9390 1 10 . 1 1 119 119 ARG N N 137 115.256 115.256 116.939 -1.683 18167 9391 1 10 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.405 0.672 18167 9392 1 10 . 1 1 119 119 ARG C C 137 173.643 173.643 173.988 -0.345 18167 9393 1 10 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.294 -1.171 18167 9394 1 10 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.299 -1.114 18167 9395 1 10 . 1 1 119 119 ARG H H 137 8.920 8.920 8.862 0.058 18167 9396 1 10 . 1 1 120 120 VAL N N 138 119.767 119.767 120.475 -0.708 18167 9397 1 10 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.933 -0.147 18167 9398 1 10 . 1 1 120 120 VAL C C 138 174.355 174.355 174.733 -0.378 18167 9399 1 10 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.976 0.807 18167 9400 1 10 . 1 1 120 120 VAL CB C 138 34.162 34.162 34.082 0.080 18167 9401 1 10 . 1 1 120 120 VAL H H 138 8.430 8.430 8.579 -0.149 18167 9402 1 10 . 1 1 121 121 LEU N N 139 129.915 129.915 125.192 4.723 18167 9403 1 10 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.240 -0.155 18167 9404 1 10 . 1 1 121 121 LEU C C 139 176.376 176.376 174.295 2.081 18167 9405 1 10 . 1 1 121 121 LEU CA C 139 54.659 54.659 53.768 0.891 18167 9406 1 10 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.775 -1.653 18167 9407 1 10 . 1 1 121 121 LEU H H 139 9.333 9.333 8.862 0.471 18167 9408 1 10 . 1 1 122 122 VAL N N 140 120.956 120.956 121.681 -0.725 18167 9409 1 10 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.430 -0.055 18167 9410 1 10 . 1 1 122 122 VAL C C 140 177.264 177.264 176.663 0.601 18167 9411 1 10 . 1 1 122 122 VAL CA C 140 61.468 61.468 59.632 1.836 18167 9412 1 10 . 1 1 122 122 VAL CB C 140 32.874 32.874 34.538 -1.664 18167 9413 1 10 . 1 1 122 122 VAL H H 140 8.655 8.655 8.645 0.010 18167 9414 1 10 . 1 1 123 123 GLY N N 141 119.059 119.059 119.027 0.032 18167 9415 1 10 . 1 1 123 123 GLY C C 141 174.482 174.482 174.406 0.076 18167 9416 1 10 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.960 0.208 18167 9417 1 10 . 1 1 123 123 GLY H H 141 8.940 8.940 8.403 0.537 18167 9418 1 10 . 1 1 124 124 ASP N N 142 124.652 124.652 124.897 -0.245 18167 9419 1 10 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.757 -0.123 18167 9420 1 10 . 1 1 124 124 ASP C C 142 175.588 175.588 175.097 0.491 18167 9421 1 10 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.614 0.776 18167 9422 1 10 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.073 0.191 18167 9423 1 10 . 1 1 124 124 ASP H H 142 8.722 8.722 8.446 0.276 18167 9424 1 10 . 1 1 125 125 ASN N N 143 118.203 118.203 118.592 -0.389 18167 9425 1 10 . 1 1 125 125 ASN HA H 143 4.927 4.927 5.017 -0.090 18167 9426 1 10 . 1 1 125 125 ASN C C 143 174.095 174.095 173.860 0.235 18167 9427 1 10 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.432 -0.026 18167 9428 1 10 . 1 1 125 125 ASN CB C 143 41.063 41.063 42.069 -1.006 18167 9429 1 10 . 1 1 125 125 ASN H H 143 8.023 8.023 8.466 -0.443 18167 9430 1 10 . 1 1 126 126 VAL N N 144 123.424 123.424 121.989 1.435 18167 9431 1 10 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.830 0.250 18167 9432 1 10 . 1 1 126 126 VAL C C 144 175.767 175.767 175.561 0.206 18167 9433 1 10 . 1 1 126 126 VAL CA C 144 63.309 63.309 63.939 -0.630 18167 9434 1 10 . 1 1 126 126 VAL H H 144 8.857 8.857 8.538 0.319 18167 9435 1 10 . 1 1 127 127 GLU N N 145 130.709 130.709 129.005 1.704 18167 9436 1 10 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.182 0.223 18167 9437 1 10 . 1 1 127 127 GLU C C 145 176.522 176.522 176.013 0.509 18167 9438 1 10 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.048 -0.084 18167 9439 1 10 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.981 1.374 18167 9440 1 10 . 1 1 127 127 GLU H H 145 9.487 9.487 9.058 0.429 18167 9441 1 10 . 1 1 128 128 ARG N N 146 113.222 113.222 112.861 0.361 18167 9442 1 10 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.608 0.453 18167 9443 1 10 . 1 1 128 128 ARG C C 146 172.055 172.055 173.653 -1.598 18167 9444 1 10 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.277 -0.896 18167 9445 1 10 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.677 1.314 18167 9446 1 10 . 1 1 128 128 ARG H H 146 7.657 7.657 7.702 -0.045 18167 9447 1 10 . 1 1 129 129 HIS N N 147 125.158 125.158 117.431 7.727 18167 9448 1 10 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.492 0.140 18167 9449 1 10 . 1 1 129 129 HIS C C 147 172.407 172.407 173.197 -0.790 18167 9450 1 10 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.870 -1.674 18167 9451 1 10 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.319 0.617 18167 9452 1 10 . 1 1 129 129 HIS H H 147 9.295 9.295 8.431 0.864 18167 9453 1 10 . 1 1 130 130 ASP N N 148 122.383 122.383 120.945 1.438 18167 9454 1 10 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.986 1.141 18167 9455 1 10 . 1 1 130 130 ASP C C 148 174.350 174.350 173.466 0.884 18167 9456 1 10 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.720 -0.773 18167 9457 1 10 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.520 -1.552 18167 9458 1 10 . 1 1 130 130 ASP H H 148 8.879 8.879 8.046 0.833 18167 9459 1 10 . 1 1 131 131 LEU N N 149 121.444 121.444 123.431 -1.987 18167 9460 1 10 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.815 0.474 18167 9461 1 10 . 1 1 131 131 LEU C C 149 174.289 174.289 174.233 0.056 18167 9462 1 10 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.127 0.731 18167 9463 1 10 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.366 1.502 18167 9464 1 10 . 1 1 131 131 LEU H H 149 8.916 8.916 8.351 0.565 18167 9465 1 10 . 1 1 132 132 ALA N N 150 128.498 128.498 128.334 0.164 18167 9466 1 10 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.494 0.536 18167 9467 1 10 . 1 1 132 132 ALA C C 150 176.044 176.044 175.343 0.701 18167 9468 1 10 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.319 -0.918 18167 9469 1 10 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.444 -0.621 18167 9470 1 10 . 1 1 132 132 ALA H H 150 9.920 9.920 9.116 0.804 18167 9471 1 10 . 1 1 133 133 SER N N 151 116.937 116.937 117.685 -0.748 18167 9472 1 10 . 1 1 133 133 SER HA H 151 5.812 5.812 5.561 0.251 18167 9473 1 10 . 1 1 133 133 SER C C 151 173.367 173.367 173.530 -0.163 18167 9474 1 10 . 1 1 133 133 SER CA C 151 56.394 56.394 55.779 0.615 18167 9475 1 10 . 1 1 133 133 SER CB C 151 65.448 65.448 65.104 0.344 18167 9476 1 10 . 1 1 133 133 SER H H 151 9.360 9.360 8.419 0.941 18167 9477 1 10 . 1 1 134 134 VAL N N 152 126.011 126.011 127.877 -1.866 18167 9478 1 10 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.834 0.575 18167 9479 1 10 . 1 1 134 134 VAL C C 152 175.735 175.735 174.896 0.839 18167 9480 1 10 . 1 1 134 134 VAL CA C 152 60.163 60.163 60.791 -0.629 18167 9481 1 10 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.582 2.338 18167 9482 1 10 . 1 1 134 134 VAL H H 152 9.558 9.558 9.300 0.258 18167 9483 1 10 . 1 1 135 135 THR N N 153 118.998 118.998 122.714 -3.716 18167 9484 1 10 . 1 1 135 135 THR HA H 153 4.723 4.723 4.845 -0.122 18167 9485 1 10 . 1 1 135 135 THR C C 153 171.746 171.746 173.837 -2.091 18167 9486 1 10 . 1 1 135 135 THR CA C 153 61.221 61.221 61.258 -0.037 18167 9487 1 10 . 1 1 135 135 THR CB C 153 69.300 69.300 72.944 -3.643 18167 9488 1 10 . 1 1 135 135 THR H H 153 8.960 8.960 9.157 -0.197 18167 9489 1 10 . 1 1 136 136 THR N N 154 109.883 109.883 117.323 -7.440 18167 9490 1 10 . 1 1 136 136 THR HA H 154 5.636 5.636 5.023 0.613 18167 9491 1 10 . 1 1 136 136 THR C C 154 173.904 173.904 174.355 -0.451 18167 9492 1 10 . 1 1 136 136 THR CA C 154 58.391 58.391 60.067 -1.676 18167 9493 1 10 . 1 1 136 136 THR CB C 154 71.387 71.387 69.946 1.441 18167 9494 1 10 . 1 1 136 136 THR H H 154 7.940 7.940 8.487 -0.547 18167 9495 1 10 . 1 1 137 137 ASN N N 155 115.138 115.138 121.567 -6.429 18167 9496 1 10 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.649 0.257 18167 9497 1 10 . 1 1 137 137 ASN C C 155 174.994 174.994 174.583 0.411 18167 9498 1 10 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.358 0.987 18167 9499 1 10 . 1 1 137 137 ASN CB C 155 41.807 41.807 39.758 2.049 18167 9500 1 10 . 1 1 137 137 ASN H H 155 8.938 8.938 9.012 -0.074 18167 9501 1 10 . 1 1 138 138 ARG N N 156 125.040 125.040 125.979 -0.939 18167 9502 1 10 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.995 -0.038 18167 9503 1 10 . 1 1 138 138 ARG C C 156 175.870 175.870 175.360 0.510 18167 9504 1 10 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.116 0.008 18167 9505 1 10 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.668 -1.009 18167 9506 1 10 . 1 1 138 138 ARG H H 156 9.364 9.364 8.705 0.659 18167 9507 1 10 . 1 1 139 139 GLY N N 157 104.408 104.408 102.382 2.026 18167 9508 1 10 . 1 1 139 139 GLY C C 157 173.563 173.563 173.996 -0.433 18167 9509 1 10 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.137 0.684 18167 9510 1 10 . 1 1 139 139 GLY H H 157 8.862 8.862 8.432 0.430 18167 9511 1 10 . 1 1 140 140 LYS N N 158 117.999 117.999 120.262 -2.263 18167 9512 1 10 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.891 0.069 18167 9513 1 10 . 1 1 140 140 LYS C C 158 174.527 174.527 175.088 -0.561 18167 9514 1 10 . 1 1 140 140 LYS CA C 158 53.722 53.722 53.959 -0.237 18167 9515 1 10 . 1 1 140 140 LYS CB C 158 34.864 34.864 34.192 0.672 18167 9516 1 10 . 1 1 140 140 LYS H H 158 7.718 7.718 7.647 0.071 18167 9517 1 10 . 1 1 141 141 LEU N N 159 124.332 124.332 126.059 -1.727 18167 9518 1 10 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.530 0.100 18167 9519 1 10 . 1 1 141 141 LEU C C 159 175.337 175.337 175.498 -0.161 18167 9520 1 10 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.556 -0.318 18167 9521 1 10 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.162 0.710 18167 9522 1 10 . 1 1 141 141 LEU H H 159 9.006 9.006 9.156 -0.150 18167 9523 1 10 . 1 1 142 142 ILE N N 160 128.619 128.619 127.525 1.094 18167 9524 1 10 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.567 0.162 18167 9525 1 10 . 1 1 142 142 ILE C C 160 173.414 173.414 174.989 -1.575 18167 9526 1 10 . 1 1 142 142 ILE CA C 160 61.233 61.233 58.721 2.512 18167 9527 1 10 . 1 1 142 142 ILE CB C 160 40.184 40.184 37.863 2.321 18167 9528 1 10 . 1 1 142 142 ILE H H 160 9.129 9.129 9.477 -0.348 18167 9529 1 10 . 1 1 143 143 THR N N 161 122.266 122.266 124.048 -1.782 18167 9530 1 10 . 1 1 143 143 THR HA H 161 4.797 4.797 5.278 -0.481 18167 9531 1 10 . 1 1 143 143 THR C C 161 171.903 171.903 173.461 -1.558 18167 9532 1 10 . 1 1 143 143 THR CA C 161 61.666 61.666 60.987 0.679 18167 9533 1 10 . 1 1 143 143 THR CB C 161 70.025 70.025 71.152 -1.127 18167 9534 1 10 . 1 1 143 143 THR H H 161 8.818 8.818 8.327 0.491 18167 9535 1 10 . 1 1 144 144 PHE N N 162 130.742 130.742 127.125 3.617 18167 9536 1 10 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.671 0.119 18167 9537 1 10 . 1 1 144 144 PHE C C 162 173.404 173.404 173.626 -0.222 18167 9538 1 10 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.648 -1.428 18167 9539 1 10 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.129 -1.389 18167 9540 1 10 . 1 1 144 144 PHE H H 162 9.219 9.219 8.879 0.340 18167 9541 1 10 . 1 1 145 145 ASP N N 163 127.154 127.154 127.682 -0.528 18167 9542 1 10 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.371 -0.415 18167 9543 1 10 . 1 1 145 145 ASP C C 163 174.933 174.933 174.587 0.346 18167 9544 1 10 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.480 0.930 18167 9545 1 10 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.158 0.166 18167 9546 1 10 . 1 1 145 145 ASP H H 163 8.862 8.862 8.282 0.580 18167 9547 1 10 . 1 1 146 146 LEU N N 164 131.658 131.658 126.921 4.737 18167 9548 1 10 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.789 -0.194 18167 9549 1 10 . 1 1 146 146 LEU C C 164 174.511 174.511 175.670 -1.159 18167 9550 1 10 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.138 -0.167 18167 9551 1 10 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.135 -2.038 18167 9552 1 10 . 1 1 146 146 LEU H H 164 8.938 8.938 9.012 -0.074 18167 9553 1 10 . 1 1 147 147 SER N N 165 114.966 114.966 116.917 -1.951 18167 9554 1 10 . 1 1 147 147 SER HA H 165 5.186 5.186 5.166 0.020 18167 9555 1 10 . 1 1 147 147 SER C C 165 173.417 173.417 173.250 0.167 18167 9556 1 10 . 1 1 147 147 SER CA C 165 56.600 56.600 57.402 -0.802 18167 9557 1 10 . 1 1 147 147 SER CB C 165 67.205 67.205 64.997 2.208 18167 9558 1 10 . 1 1 147 147 SER H H 165 8.995 8.995 8.493 0.502 18167 9559 1 10 . 1 1 148 148 THR N N 166 118.620 118.620 122.011 -3.391 18167 9560 1 10 . 1 1 148 148 THR HA H 166 5.144 5.144 4.708 0.436 18167 9561 1 10 . 1 1 148 148 THR C C 166 173.151 173.151 172.643 0.508 18167 9562 1 10 . 1 1 148 148 THR CA C 166 60.362 60.362 61.615 -1.253 18167 9563 1 10 . 1 1 148 148 THR CB C 166 69.214 69.214 73.502 -4.289 18167 9564 1 10 . 1 1 148 148 THR H H 166 8.614 8.614 8.087 0.527 18167 9565 1 10 . 1 1 149 149 ALA N N 167 124.595 124.595 124.770 -0.175 18167 9566 1 10 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.272 0.333 18167 9567 1 10 . 1 1 149 149 ALA C C 167 179.460 179.460 178.723 0.737 18167 9568 1 10 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.896 -1.340 18167 9569 1 10 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.433 0.824 18167 9570 1 10 . 1 1 149 149 ALA H H 167 8.107 8.107 8.765 -0.658 18167 9571 1 10 . 1 1 150 150 GLU N N 168 123.906 123.906 122.355 1.551 18167 9572 1 10 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.047 0.451 18167 9573 1 10 . 1 1 150 150 GLU C C 168 178.587 178.587 177.872 0.715 18167 9574 1 10 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.237 -0.291 18167 9575 1 10 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.596 -0.888 18167 9576 1 10 . 1 1 150 150 GLU H H 168 8.471 8.471 9.094 -0.623 18167 9577 1 10 . 1 1 151 151 ASP N N 169 114.005 114.005 120.702 -6.697 18167 9578 1 10 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.464 0.019 18167 9579 1 10 . 1 1 151 151 ASP C C 169 177.260 177.260 177.812 -0.552 18167 9580 1 10 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.605 -0.688 18167 9581 1 10 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.222 -0.137 18167 9582 1 10 . 1 1 151 151 ASP H H 169 8.575 8.575 8.854 -0.279 18167 9583 1 10 . 1 1 152 152 ARG N N 170 118.283 118.283 118.770 -0.487 18167 9584 1 10 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.440 -0.109 18167 9585 1 10 . 1 1 152 152 ARG C C 170 177.094 177.094 177.780 -0.686 18167 9586 1 10 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.861 -1.025 18167 9587 1 10 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.698 1.286 18167 9588 1 10 . 1 1 152 152 ARG H H 170 7.663 7.663 8.101 -0.438 18167 9589 1 10 . 1 1 153 153 TRP N N 171 122.336 122.336 123.350 -1.014 18167 9590 1 10 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.533 -0.623 18167 9591 1 10 . 1 1 153 153 TRP C C 171 175.820 175.820 176.809 -0.989 18167 9592 1 10 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.491 -0.615 18167 9593 1 10 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.331 0.077 18167 9594 1 10 . 1 1 153 153 TRP H H 171 7.689 7.689 8.295 -0.606 18167 9595 1 10 . 1 1 154 154 ASP N N 172 114.179 114.179 116.459 -2.280 18167 9596 1 10 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.426 -0.409 18167 9597 1 10 . 1 1 154 154 ASP C C 172 178.442 178.442 178.349 0.093 18167 9598 1 10 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.635 -0.132 18167 9599 1 10 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.778 -0.614 18167 9600 1 10 . 1 1 154 154 ASP H H 172 8.690 8.690 8.071 0.619 18167 9601 1 10 . 1 1 155 155 THR N N 173 114.661 114.661 113.995 0.666 18167 9602 1 10 . 1 1 155 155 THR HA H 173 3.990 3.990 4.133 -0.143 18167 9603 1 10 . 1 1 155 155 THR C C 173 175.985 175.985 176.009 -0.024 18167 9604 1 10 . 1 1 155 155 THR CA C 173 65.585 65.585 65.647 -0.062 18167 9605 1 10 . 1 1 155 155 THR CB C 173 69.076 69.076 69.113 -0.037 18167 9606 1 10 . 1 1 155 155 THR H H 173 7.635 7.635 7.514 0.121 18167 9607 1 10 . 1 1 156 156 VAL N N 174 113.687 113.687 112.887 0.800 18167 9608 1 10 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.351 -0.074 18167 9609 1 10 . 1 1 156 156 VAL C C 174 176.185 176.185 175.324 0.861 18167 9610 1 10 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.219 1.225 18167 9611 1 10 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.059 3.094 18167 9612 1 10 . 1 1 156 156 VAL H H 174 7.447 7.447 8.017 -0.570 18167 9613 1 10 . 1 1 157 157 LYS N N 175 123.084 123.084 119.937 3.147 18167 9614 1 10 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.683 -0.839 18167 9615 1 10 . 1 1 157 157 LYS C C 175 177.321 177.321 178.113 -0.792 18167 9616 1 10 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.589 0.630 18167 9617 1 10 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.642 -1.446 18167 9618 1 10 . 1 1 157 157 LYS H H 175 7.548 7.548 7.121 0.427 18167 9619 1 10 . 1 1 158 158 SER N N 176 114.046 114.046 114.119 -0.073 18167 9620 1 10 . 1 1 158 158 SER HA H 176 3.820 3.820 4.198 -0.378 18167 9621 1 10 . 1 1 158 158 SER C C 176 176.927 176.927 176.083 0.844 18167 9622 1 10 . 1 1 158 158 SER CA C 176 61.600 61.600 60.206 1.394 18167 9623 1 10 . 1 1 158 158 SER CB C 176 62.048 62.048 62.202 -0.154 18167 9624 1 10 . 1 1 158 158 SER H H 176 8.161 8.161 8.032 0.129 18167 9625 1 10 . 1 1 159 159 LEU N N 177 126.125 126.125 123.798 2.327 18167 9626 1 10 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.853 0.320 18167 9627 1 10 . 1 1 159 159 LEU C C 177 178.403 178.403 177.830 0.573 18167 9628 1 10 . 1 1 159 159 LEU CA C 177 57.702 57.702 58.037 -0.335 18167 9629 1 10 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.245 -0.169 18167 9630 1 10 . 1 1 159 159 LEU H H 177 7.587 7.587 7.228 0.359 18167 9631 1 10 . 1 1 160 160 PHE N N 178 119.582 119.582 117.677 1.905 18167 9632 1 10 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.036 0.246 18167 9633 1 10 . 1 1 160 160 PHE C C 178 177.277 177.277 177.911 -0.634 18167 9634 1 10 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.411 -2.701 18167 9635 1 10 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.422 -1.882 18167 9636 1 10 . 1 1 160 160 PHE H H 178 9.067 9.067 6.754 2.313 18167 9637 1 10 . 1 1 161 161 ASP N N 179 120.599 120.599 120.007 0.592 18167 9638 1 10 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.496 -0.156 18167 9639 1 10 . 1 1 161 161 ASP C C 179 179.216 179.216 179.226 -0.010 18167 9640 1 10 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.650 0.252 18167 9641 1 10 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.181 0.776 18167 9642 1 10 . 1 1 161 161 ASP H H 179 8.578 8.578 7.766 0.812 18167 9643 1 10 . 1 1 162 162 THR N N 180 118.300 118.300 118.061 0.239 18167 9644 1 10 . 1 1 162 162 THR HA H 180 3.849 3.849 4.064 -0.215 18167 9645 1 10 . 1 1 162 162 THR C C 180 176.875 176.875 176.787 0.088 18167 9646 1 10 . 1 1 162 162 THR CA C 180 66.977 66.977 66.597 0.380 18167 9647 1 10 . 1 1 162 162 THR CB C 180 68.886 68.886 69.145 -0.259 18167 9648 1 10 . 1 1 162 162 THR H H 180 7.771 7.771 8.259 -0.488 18167 9649 1 10 . 1 1 163 163 VAL N N 181 123.234 123.234 121.608 1.626 18167 9650 1 10 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.709 -0.115 18167 9651 1 10 . 1 1 163 163 VAL C C 181 180.016 180.016 177.435 2.581 18167 9652 1 10 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.496 0.260 18167 9653 1 10 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.689 0.023 18167 9654 1 10 . 1 1 163 163 VAL H H 181 8.831 8.831 8.468 0.363 18167 9655 1 10 . 1 1 164 164 ALA N N 182 124.654 124.654 121.719 2.935 18167 9656 1 10 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.285 -0.023 18167 9657 1 10 . 1 1 164 164 ALA C C 182 180.510 180.510 179.206 1.304 18167 9658 1 10 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.323 1.136 18167 9659 1 10 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.516 -0.953 18167 9660 1 10 . 1 1 164 164 ALA H H 182 9.662 9.662 8.666 0.996 18167 9661 1 10 . 1 1 165 165 SER N N 183 112.325 112.325 111.870 0.455 18167 9662 1 10 . 1 1 165 165 SER HA H 183 4.173 4.173 4.360 -0.187 18167 9663 1 10 . 1 1 165 165 SER C C 183 173.817 173.817 176.175 -2.358 18167 9664 1 10 . 1 1 165 165 SER CA C 183 61.155 61.155 60.179 0.976 18167 9665 1 10 . 1 1 165 165 SER CB C 183 63.140 63.140 63.774 -0.634 18167 9666 1 10 . 1 1 165 165 SER H H 183 7.988 7.988 8.059 -0.071 18167 9667 1 10 . 1 1 166 166 SER N N 184 117.332 117.332 117.182 0.150 18167 9668 1 10 . 1 1 166 166 SER HA H 184 4.356 4.356 4.363 -0.007 18167 9669 1 10 . 1 1 166 166 SER C C 184 174.163 174.163 175.651 -1.488 18167 9670 1 10 . 1 1 166 166 SER CA C 184 59.502 59.502 60.240 -0.738 18167 9671 1 10 . 1 1 166 166 SER CB C 184 63.416 63.416 63.418 -0.002 18167 9672 1 10 . 1 1 166 166 SER H H 184 7.766 7.766 7.736 0.030 18167 9673 1 10 . 1 1 167 167 PHE N N 185 124.827 124.827 122.127 2.700 18167 9674 1 10 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.577 0.586 18167 9675 1 10 . 1 1 167 167 PHE C C 185 174.545 174.545 174.779 -0.234 18167 9676 1 10 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.169 -0.667 18167 9677 1 10 . 1 1 167 167 PHE CB C 185 38.390 38.390 38.733 -0.344 18167 9678 1 10 . 1 1 167 167 PHE H H 185 7.101 7.101 7.428 -0.327 18167 9679 1 10 . 1 1 168 168 HIS N N 186 127.050 127.050 122.668 4.382 18167 9680 1 10 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.446 0.707 18167 9681 1 10 . 1 1 168 168 HIS C C 186 172.836 172.836 173.268 -0.432 18167 9682 1 10 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.927 -0.771 18167 9683 1 10 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.154 -2.151 18167 9684 1 10 . 1 1 168 168 HIS H H 186 8.645 8.645 8.494 0.151 18167 9685 1 10 . 1 1 169 169 VAL N N 187 114.268 114.268 118.557 -4.289 18167 9686 1 10 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.282 -0.122 18167 9687 1 10 . 1 1 169 169 VAL C C 187 174.449 174.449 174.262 0.187 18167 9688 1 10 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.108 -0.755 18167 9689 1 10 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.815 -1.405 18167 9690 1 10 . 1 1 169 169 VAL H H 187 7.466 7.466 7.525 -0.059 18167 9691 1 11 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.525 -0.053 18167 9692 1 11 . 1 1 2 2 PRO C C 20 177.006 177.006 176.368 0.638 18167 9693 1 11 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.398 0.643 18167 9694 1 11 . 1 1 2 2 PRO CB C 20 32.064 32.064 33.173 -1.109 18167 9695 1 11 . 1 1 3 3 LEU N N 21 122.423 122.423 121.862 0.561 18167 9696 1 11 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.568 -0.227 18167 9697 1 11 . 1 1 3 3 LEU C C 21 177.928 177.928 177.068 0.860 18167 9698 1 11 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.061 0.257 18167 9699 1 11 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.709 -0.443 18167 9700 1 11 . 1 1 3 3 LEU H H 21 8.551 8.551 8.253 0.298 18167 9701 1 11 . 1 1 4 4 GLY N N 22 109.759 109.759 112.001 -2.242 18167 9702 1 11 . 1 1 4 4 GLY C C 22 174.309 174.309 174.133 0.176 18167 9703 1 11 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.203 0.027 18167 9704 1 11 . 1 1 4 4 GLY H H 22 8.423 8.423 8.455 -0.032 18167 9705 1 11 . 1 1 5 5 SER N N 23 115.538 115.538 115.425 0.113 18167 9706 1 11 . 1 1 5 5 SER HA H 23 4.488 4.488 4.534 -0.046 18167 9707 1 11 . 1 1 5 5 SER C C 23 174.841 174.841 174.968 -0.127 18167 9708 1 11 . 1 1 5 5 SER CA C 23 58.329 58.329 58.845 -0.516 18167 9709 1 11 . 1 1 5 5 SER CB C 23 63.957 63.957 63.871 0.086 18167 9710 1 11 . 1 1 5 5 SER H H 23 8.233 8.233 7.975 0.258 18167 9711 1 11 . 1 1 6 6 CYS N N 24 120.699 120.699 118.920 1.779 18167 9712 1 11 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.493 0.049 18167 9713 1 11 . 1 1 6 6 CYS C C 24 175.079 175.079 175.754 -0.675 18167 9714 1 11 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.622 0.095 18167 9715 1 11 . 1 1 6 6 CYS CB C 24 27.969 27.969 29.504 -1.535 18167 9716 1 11 . 1 1 6 6 CYS H H 24 8.493 8.493 8.477 0.016 18167 9717 1 11 . 1 1 7 7 GLY N N 25 110.895 110.895 111.151 -0.256 18167 9718 1 11 . 1 1 7 7 GLY C C 25 174.402 174.402 174.295 0.107 18167 9719 1 11 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.741 0.737 18167 9720 1 11 . 1 1 7 7 GLY H H 25 8.449 8.449 8.005 0.444 18167 9721 1 11 . 1 1 8 8 GLY N N 26 108.733 108.733 107.407 1.326 18167 9722 1 11 . 1 1 8 8 GLY C C 26 174.113 174.113 173.402 0.711 18167 9723 1 11 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.518 0.662 18167 9724 1 11 . 1 1 8 8 GLY H H 26 8.236 8.236 8.094 0.142 18167 9725 1 11 . 1 1 9 9 VAL N N 27 118.903 118.903 117.687 1.216 18167 9726 1 11 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.500 -0.376 18167 9727 1 11 . 1 1 9 9 VAL C C 27 176.630 176.630 175.621 1.009 18167 9728 1 11 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.267 1.117 18167 9729 1 11 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.339 -0.818 18167 9730 1 11 . 1 1 9 9 VAL H H 27 8.019 8.019 8.324 -0.305 18167 9731 1 11 . 1 1 10 10 GLY N N 28 112.317 112.317 110.233 2.084 18167 9732 1 11 . 1 1 10 10 GLY C C 28 174.378 174.378 175.573 -1.195 18167 9733 1 11 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.003 1.343 18167 9734 1 11 . 1 1 10 10 GLY H H 28 8.483 8.483 8.361 0.122 18167 9735 1 11 . 1 1 11 11 ILE N N 29 119.788 119.788 120.886 -1.098 18167 9736 1 11 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.064 0.017 18167 9737 1 11 . 1 1 11 11 ILE C C 29 176.168 176.168 175.053 1.115 18167 9738 1 11 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.304 1.108 18167 9739 1 11 . 1 1 11 11 ILE CB C 29 38.557 38.557 34.552 4.005 18167 9740 1 11 . 1 1 11 11 ILE H H 29 7.948 7.948 8.398 -0.450 18167 9741 1 11 . 1 1 12 12 ALA N N 30 126.009 126.009 125.675 0.334 18167 9742 1 11 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.543 -0.255 18167 9743 1 11 . 1 1 12 12 ALA C C 30 177.504 177.504 175.423 2.081 18167 9744 1 11 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.369 1.496 18167 9745 1 11 . 1 1 12 12 ALA CB C 30 18.966 18.966 21.715 -2.749 18167 9746 1 11 . 1 1 12 12 ALA H H 30 8.247 8.247 7.793 0.454 18167 9747 1 11 . 1 1 13 13 SER N N 31 113.949 113.949 115.672 -1.723 18167 9748 1 11 . 1 1 13 13 SER HA H 31 4.392 4.392 4.513 -0.121 18167 9749 1 11 . 1 1 13 13 SER C C 31 173.644 173.644 173.777 -0.133 18167 9750 1 11 . 1 1 13 13 SER CA C 31 58.329 58.329 57.988 0.341 18167 9751 1 11 . 1 1 13 13 SER CB C 31 63.609 63.609 63.781 -0.171 18167 9752 1 11 . 1 1 13 13 SER H H 31 8.045 8.045 8.344 -0.299 18167 9753 1 11 . 1 1 14 14 LEU N N 32 122.240 122.240 125.781 -3.541 18167 9754 1 11 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.315 0.230 18167 9755 1 11 . 1 1 14 14 LEU C C 32 176.001 176.001 176.332 -0.331 18167 9756 1 11 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.903 -0.026 18167 9757 1 11 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.403 0.842 18167 9758 1 11 . 1 1 14 14 LEU H H 32 7.749 7.749 8.517 -0.768 18167 9759 1 11 . 1 1 15 15 GLN N N 33 120.685 120.685 121.425 -0.740 18167 9760 1 11 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.685 -0.303 18167 9761 1 11 . 1 1 15 15 GLN C C 33 172.944 172.944 173.522 -0.578 18167 9762 1 11 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.831 -0.370 18167 9763 1 11 . 1 1 15 15 GLN CB C 33 30.743 30.743 32.116 -1.373 18167 9764 1 11 . 1 1 15 15 GLN H H 33 8.780 8.780 8.137 0.643 18167 9765 1 11 . 1 1 16 16 ARG N N 34 120.341 120.341 118.347 1.994 18167 9766 1 11 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.863 0.041 18167 9767 1 11 . 1 1 16 16 ARG C C 34 175.846 175.846 174.693 1.153 18167 9768 1 11 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.752 0.949 18167 9769 1 11 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.805 -0.063 18167 9770 1 11 . 1 1 16 16 ARG H H 34 8.274 8.274 8.420 -0.146 18167 9771 1 11 . 1 1 17 17 TYR N N 35 128.733 128.733 125.744 2.989 18167 9772 1 11 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.715 -0.157 18167 9773 1 11 . 1 1 17 17 TYR C C 35 173.307 173.307 173.349 -0.042 18167 9774 1 11 . 1 1 17 17 TYR CA C 35 57.733 57.733 56.960 0.773 18167 9775 1 11 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.254 0.329 18167 9776 1 11 . 1 1 17 17 TYR H H 35 9.104 9.104 8.408 0.696 18167 9777 1 11 . 1 1 18 18 SER N N 36 119.150 119.150 121.716 -2.566 18167 9778 1 11 . 1 1 18 18 SER HA H 36 4.786 4.786 4.899 -0.113 18167 9779 1 11 . 1 1 18 18 SER C C 36 172.002 172.002 172.375 -0.373 18167 9780 1 11 . 1 1 18 18 SER CA C 36 56.341 56.341 56.731 -0.390 18167 9781 1 11 . 1 1 18 18 SER CB C 36 65.327 65.327 66.372 -1.045 18167 9782 1 11 . 1 1 18 18 SER H H 36 7.398 7.398 7.939 -0.541 18167 9783 1 11 . 1 1 19 19 ASP N N 37 124.935 124.935 121.874 3.061 18167 9784 1 11 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.981 -0.310 18167 9785 1 11 . 1 1 19 19 ASP C C 37 176.089 176.089 176.682 -0.593 18167 9786 1 11 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.501 -0.692 18167 9787 1 11 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.995 -1.530 18167 9788 1 11 . 1 1 19 19 ASP H H 37 8.607 8.607 8.400 0.207 18167 9789 1 11 . 1 1 20 20 THR N N 38 117.032 117.032 114.985 2.047 18167 9790 1 11 . 1 1 20 20 THR HA H 38 4.316 4.316 4.180 0.136 18167 9791 1 11 . 1 1 20 20 THR C C 38 175.794 175.794 175.937 -0.143 18167 9792 1 11 . 1 1 20 20 THR CA C 38 63.123 63.123 64.201 -1.078 18167 9793 1 11 . 1 1 20 20 THR CB C 38 68.905 68.905 69.212 -0.307 18167 9794 1 11 . 1 1 20 20 THR H H 38 8.470 8.470 8.550 -0.080 18167 9795 1 11 . 1 1 21 21 LYS N N 39 124.893 124.893 120.917 3.976 18167 9796 1 11 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.046 0.143 18167 9797 1 11 . 1 1 21 21 LYS C C 39 177.678 177.678 177.415 0.263 18167 9798 1 11 . 1 1 21 21 LYS CA C 39 58.795 58.795 58.850 -0.055 18167 9799 1 11 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.450 -0.782 18167 9800 1 11 . 1 1 21 21 LYS H H 39 8.201 8.201 7.907 0.294 18167 9801 1 11 . 1 1 22 22 ASP N N 40 118.183 118.183 116.119 2.064 18167 9802 1 11 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.535 0.286 18167 9803 1 11 . 1 1 22 22 ASP C C 40 176.752 176.752 176.968 -0.216 18167 9804 1 11 . 1 1 22 22 ASP CA C 40 54.879 54.879 53.582 1.297 18167 9805 1 11 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.993 0.876 18167 9806 1 11 . 1 1 22 22 ASP H H 40 8.480 8.480 8.414 0.066 18167 9807 1 11 . 1 1 23 23 GLY N N 41 108.978 108.978 108.177 0.801 18167 9808 1 11 . 1 1 23 23 GLY C C 41 172.396 172.396 172.924 -0.528 18167 9809 1 11 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.451 1.665 18167 9810 1 11 . 1 1 23 23 GLY H H 41 7.421 7.421 8.065 -0.644 18167 9811 1 11 . 1 1 24 24 TYR N N 42 112.046 112.046 116.032 -3.986 18167 9812 1 11 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.896 -0.502 18167 9813 1 11 . 1 1 24 24 TYR C C 42 173.028 173.028 173.089 -0.061 18167 9814 1 11 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.213 1.619 18167 9815 1 11 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.410 0.444 18167 9816 1 11 . 1 1 24 24 TYR H H 42 7.506 7.506 7.832 -0.326 18167 9817 1 11 . 1 1 25 25 GLU N N 43 117.470 117.470 120.770 -3.300 18167 9818 1 11 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.300 0.168 18167 9819 1 11 . 1 1 25 25 GLU C C 43 173.311 173.311 174.639 -1.328 18167 9820 1 11 . 1 1 25 25 GLU CA C 43 54.231 54.231 54.786 -0.555 18167 9821 1 11 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.903 -0.278 18167 9822 1 11 . 1 1 25 25 GLU H H 43 8.934 8.934 8.918 0.016 18167 9823 1 11 . 1 1 26 26 PHE N N 44 112.795 112.795 117.474 -4.679 18167 9824 1 11 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.165 -0.323 18167 9825 1 11 . 1 1 26 26 PHE C C 44 172.776 172.776 172.985 -0.209 18167 9826 1 11 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.991 -0.375 18167 9827 1 11 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.591 -1.142 18167 9828 1 11 . 1 1 26 26 PHE H H 44 8.532 8.532 8.490 0.042 18167 9829 1 11 . 1 1 27 27 LEU N N 45 119.784 119.784 122.239 -2.455 18167 9830 1 11 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.139 0.381 18167 9831 1 11 . 1 1 27 27 LEU C C 45 174.965 174.965 176.265 -1.300 18167 9832 1 11 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.205 -1.431 18167 9833 1 11 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.569 1.081 18167 9834 1 11 . 1 1 27 27 LEU H H 45 9.241 9.241 8.893 0.348 18167 9835 1 11 . 1 1 28 28 TYR N N 46 113.008 113.008 119.321 -6.313 18167 9836 1 11 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.813 0.100 18167 9837 1 11 . 1 1 28 28 TYR C C 46 171.354 171.354 172.104 -0.750 18167 9838 1 11 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.364 0.393 18167 9839 1 11 . 1 1 28 28 TYR CB C 46 38.147 38.147 39.285 -1.138 18167 9840 1 11 . 1 1 28 28 TYR H H 46 8.951 8.951 8.321 0.630 18167 9841 1 11 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.044 -0.037 18167 9842 1 11 . 1 1 29 29 PRO C C 47 176.165 176.165 176.156 0.009 18167 9843 1 11 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.144 1.174 18167 9844 1 11 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.470 -1.130 18167 9845 1 11 . 1 1 30 30 ASN N N 48 119.923 119.923 119.294 0.629 18167 9846 1 11 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.281 -0.018 18167 9847 1 11 . 1 1 30 30 ASN C C 48 176.347 176.347 176.392 -0.045 18167 9848 1 11 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.660 1.541 18167 9849 1 11 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.995 0.593 18167 9850 1 11 . 1 1 30 30 ASN H H 48 8.163 8.163 7.774 0.389 18167 9851 1 11 . 1 1 31 31 GLY N N 49 111.442 111.442 106.644 4.798 18167 9852 1 11 . 1 1 31 31 GLY C C 49 174.985 174.985 174.370 0.615 18167 9853 1 11 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.272 0.120 18167 9854 1 11 . 1 1 31 31 GLY H H 49 8.702 8.702 8.631 0.071 18167 9855 1 11 . 1 1 32 32 TRP N N 50 122.100 122.100 120.495 1.605 18167 9856 1 11 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.128 0.214 18167 9857 1 11 . 1 1 32 32 TRP C C 50 176.370 176.370 177.384 -1.014 18167 9858 1 11 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.248 1.045 18167 9859 1 11 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.151 -0.047 18167 9860 1 11 . 1 1 32 32 TRP H H 50 8.008 8.008 7.725 0.283 18167 9861 1 11 . 1 1 33 33 ILE N N 51 117.163 117.163 119.343 -2.180 18167 9862 1 11 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.821 0.134 18167 9863 1 11 . 1 1 33 33 ILE C C 51 175.549 175.549 174.838 0.711 18167 9864 1 11 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.846 -0.618 18167 9865 1 11 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.289 0.800 18167 9866 1 11 . 1 1 33 33 ILE H H 51 9.249 9.249 8.465 0.784 18167 9867 1 11 . 1 1 34 34 GLY N N 52 111.812 111.812 110.819 0.993 18167 9868 1 11 . 1 1 34 34 GLY C C 52 173.956 173.956 173.740 0.216 18167 9869 1 11 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.876 1.528 18167 9870 1 11 . 1 1 34 34 GLY H H 52 8.787 8.787 8.304 0.483 18167 9871 1 11 . 1 1 35 35 VAL N N 53 122.174 122.174 125.154 -2.980 18167 9872 1 11 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.165 -0.021 18167 9873 1 11 . 1 1 35 35 VAL C C 53 174.921 174.921 175.340 -0.419 18167 9874 1 11 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.884 -0.227 18167 9875 1 11 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.766 0.274 18167 9876 1 11 . 1 1 35 35 VAL H H 53 7.763 7.763 8.727 -0.964 18167 9877 1 11 . 1 1 36 36 ASP N N 54 125.424 125.424 127.797 -2.373 18167 9878 1 11 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.651 -0.062 18167 9879 1 11 . 1 1 36 36 ASP C C 54 176.890 176.890 175.825 1.065 18167 9880 1 11 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.528 -0.078 18167 9881 1 11 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.431 -0.258 18167 9882 1 11 . 1 1 36 36 ASP H H 54 8.425 8.425 8.577 -0.152 18167 9883 1 11 . 1 1 37 37 VAL N N 55 120.335 120.335 118.707 1.628 18167 9884 1 11 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.371 -0.203 18167 9885 1 11 . 1 1 37 37 VAL C C 55 176.785 176.785 175.186 1.599 18167 9886 1 11 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.451 0.468 18167 9887 1 11 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.620 -0.830 18167 9888 1 11 . 1 1 37 37 VAL H H 55 8.215 8.215 8.266 -0.051 18167 9889 1 11 . 1 1 38 38 LYS N N 56 124.881 124.881 122.907 1.974 18167 9890 1 11 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.292 -0.090 18167 9891 1 11 . 1 1 38 38 LYS C C 56 177.828 177.828 177.961 -0.133 18167 9892 1 11 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.566 0.437 18167 9893 1 11 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.411 -0.774 18167 9894 1 11 . 1 1 38 38 LYS H H 56 8.331 8.331 8.144 0.187 18167 9895 1 11 . 1 1 39 39 GLY N N 57 111.152 111.152 112.513 -1.361 18167 9896 1 11 . 1 1 39 39 GLY C C 57 174.253 174.253 174.075 0.178 18167 9897 1 11 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.855 0.505 18167 9898 1 11 . 1 1 39 39 GLY H H 57 8.651 8.651 9.036 -0.385 18167 9899 1 11 . 1 1 40 40 ALA N N 58 123.085 123.085 123.095 -0.010 18167 9900 1 11 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.457 -0.074 18167 9901 1 11 . 1 1 40 40 ALA C C 58 177.125 177.125 176.456 0.669 18167 9902 1 11 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.133 1.221 18167 9903 1 11 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.916 -0.299 18167 9904 1 11 . 1 1 40 40 ALA H H 58 7.839 7.839 7.525 0.314 18167 9905 1 11 . 1 1 41 41 SER N N 59 115.088 115.088 115.215 -0.127 18167 9906 1 11 . 1 1 41 41 SER HA H 59 4.688 4.688 4.328 0.360 18167 9907 1 11 . 1 1 41 41 SER C C 59 171.885 171.885 173.069 -1.184 18167 9908 1 11 . 1 1 41 41 SER CA C 59 56.951 56.951 57.322 -0.371 18167 9909 1 11 . 1 1 41 41 SER CB C 59 63.123 63.123 62.477 0.646 18167 9910 1 11 . 1 1 41 41 SER H H 59 8.186 8.186 8.284 -0.098 18167 9911 1 11 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.077 0.272 18167 9912 1 11 . 1 1 42 42 PRO C C 60 177.660 177.660 177.571 0.089 18167 9913 1 11 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.479 -0.254 18167 9914 1 11 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.152 0.389 18167 9915 1 11 . 1 1 43 43 GLY N N 61 111.997 111.997 111.210 0.787 18167 9916 1 11 . 1 1 43 43 GLY C C 61 174.070 174.070 173.931 0.139 18167 9917 1 11 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.846 0.768 18167 9918 1 11 . 1 1 43 43 GLY H H 61 8.730 8.730 8.600 0.130 18167 9919 1 11 . 1 1 44 44 VAL N N 62 120.539 120.539 123.340 -2.801 18167 9920 1 11 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.781 0.496 18167 9921 1 11 . 1 1 44 44 VAL C C 62 175.277 175.277 174.637 0.640 18167 9922 1 11 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.309 -1.382 18167 9923 1 11 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.977 0.578 18167 9924 1 11 . 1 1 44 44 VAL H H 62 7.573 7.573 7.891 -0.318 18167 9925 1 11 . 1 1 45 45 ASP N N 63 128.619 128.619 126.555 2.064 18167 9926 1 11 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.871 0.036 18167 9927 1 11 . 1 1 45 45 ASP C C 63 176.177 176.177 175.560 0.617 18167 9928 1 11 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.284 0.571 18167 9929 1 11 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.756 0.519 18167 9930 1 11 . 1 1 45 45 ASP H H 63 9.084 9.084 8.034 1.050 18167 9931 1 11 . 1 1 46 46 VAL N N 64 115.687 115.687 118.702 -3.015 18167 9932 1 11 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.287 0.023 18167 9933 1 11 . 1 1 46 46 VAL C C 64 172.853 172.853 173.884 -1.031 18167 9934 1 11 . 1 1 46 46 VAL CA C 64 61.171 61.171 61.066 0.105 18167 9935 1 11 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.258 0.651 18167 9936 1 11 . 1 1 46 46 VAL H H 64 7.314 7.314 7.403 -0.089 18167 9937 1 11 . 1 1 47 47 VAL N N 65 124.933 124.933 124.155 0.778 18167 9938 1 11 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.408 0.648 18167 9939 1 11 . 1 1 47 47 VAL C C 65 175.266 175.266 174.156 1.110 18167 9940 1 11 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.145 -0.063 18167 9941 1 11 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.966 1.701 18167 9942 1 11 . 1 1 47 47 VAL H H 65 8.146 8.146 7.959 0.187 18167 9943 1 11 . 1 1 48 48 PHE N N 66 122.916 122.916 125.965 -3.049 18167 9944 1 11 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.482 0.009 18167 9945 1 11 . 1 1 48 48 PHE C C 66 174.371 174.371 174.340 0.031 18167 9946 1 11 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.276 0.253 18167 9947 1 11 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.441 1.718 18167 9948 1 11 . 1 1 48 48 PHE H H 66 8.469 8.469 9.076 -0.607 18167 9949 1 11 . 1 1 49 49 ARG N N 67 116.381 116.381 121.974 -5.593 18167 9950 1 11 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.593 -0.088 18167 9951 1 11 . 1 1 49 49 ARG C C 67 173.455 173.455 173.917 -0.462 18167 9952 1 11 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.675 -0.841 18167 9953 1 11 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.454 0.444 18167 9954 1 11 . 1 1 49 49 ARG H H 67 9.271 9.271 8.736 0.535 18167 9955 1 11 . 1 1 50 50 ASP N N 68 121.066 121.066 127.034 -5.968 18167 9956 1 11 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.752 -0.701 18167 9957 1 11 . 1 1 50 50 ASP C C 68 176.670 176.670 176.350 0.320 18167 9958 1 11 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.841 0.775 18167 9959 1 11 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.112 1.789 18167 9960 1 11 . 1 1 50 50 ASP H H 68 7.165 7.165 8.376 -1.211 18167 9961 1 11 . 1 1 51 51 LEU N N 69 124.078 124.078 123.939 0.139 18167 9962 1 11 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.054 -0.029 18167 9963 1 11 . 1 1 51 51 LEU C C 69 177.463 177.463 178.122 -0.659 18167 9964 1 11 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.371 0.037 18167 9965 1 11 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.044 1.105 18167 9966 1 11 . 1 1 51 51 LEU H H 69 8.314 8.314 8.174 0.140 18167 9967 1 11 . 1 1 52 52 ILE N N 70 118.341 118.341 115.841 2.500 18167 9968 1 11 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.953 0.120 18167 9969 1 11 . 1 1 52 52 ILE C C 70 177.093 177.093 176.467 0.626 18167 9970 1 11 . 1 1 52 52 ILE CA C 70 61.858 61.858 62.800 -0.942 18167 9971 1 11 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.483 1.137 18167 9972 1 11 . 1 1 52 52 ILE H H 70 8.178 8.178 8.075 0.103 18167 9973 1 11 . 1 1 53 53 GLU N N 71 122.254 122.254 117.849 4.405 18167 9974 1 11 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.557 -0.173 18167 9975 1 11 . 1 1 53 53 GLU C C 71 176.084 176.084 175.720 0.364 18167 9976 1 11 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.142 -0.334 18167 9977 1 11 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.960 -1.202 18167 9978 1 11 . 1 1 53 53 GLU H H 71 8.974 8.974 8.100 0.874 18167 9979 1 11 . 1 1 54 54 ARG N N 72 121.414 121.414 123.719 -2.305 18167 9980 1 11 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.090 -0.108 18167 9981 1 11 . 1 1 54 54 ARG C C 72 176.478 176.478 177.299 -0.821 18167 9982 1 11 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.586 -0.346 18167 9983 1 11 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.313 -0.349 18167 9984 1 11 . 1 1 54 54 ARG H H 72 8.052 8.052 8.550 -0.498 18167 9985 1 11 . 1 1 55 55 ASP N N 73 117.425 117.425 118.142 -0.717 18167 9986 1 11 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.369 0.082 18167 9987 1 11 . 1 1 55 55 ASP C C 73 173.783 173.783 175.904 -2.121 18167 9988 1 11 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.997 -0.923 18167 9989 1 11 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.023 0.720 18167 9990 1 11 . 1 1 55 55 ASP H H 73 8.455 8.455 8.532 -0.077 18167 9991 1 11 . 1 1 56 56 GLU N N 74 124.050 124.050 120.693 3.357 18167 9992 1 11 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.532 0.967 18167 9993 1 11 . 1 1 56 56 GLU C C 74 174.110 174.110 175.004 -0.894 18167 9994 1 11 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.216 0.262 18167 9995 1 11 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.446 2.000 18167 9996 1 11 . 1 1 56 56 GLU H H 74 7.773 7.773 8.219 -0.446 18167 9997 1 11 . 1 1 57 57 ASN N N 75 119.794 119.794 123.764 -3.970 18167 9998 1 11 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.916 -0.153 18167 9999 1 11 . 1 1 57 57 ASN C C 75 171.893 171.893 173.037 -1.144 18167 10000 1 11 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.669 0.294 18167 10001 1 11 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.452 -0.083 18167 10002 1 11 . 1 1 57 57 ASN H H 75 8.891 8.891 8.281 0.610 18167 10003 1 11 . 1 1 58 58 LEU N N 76 116.438 116.438 124.261 -7.823 18167 10004 1 11 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.163 0.178 18167 10005 1 11 . 1 1 58 58 LEU C C 76 174.630 174.630 174.606 0.024 18167 10006 1 11 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.590 -0.762 18167 10007 1 11 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.960 -0.081 18167 10008 1 11 . 1 1 58 58 LEU H H 76 9.166 9.166 8.413 0.753 18167 10009 1 11 . 1 1 59 59 SER N N 77 114.543 114.543 120.290 -5.747 18167 10010 1 11 . 1 1 59 59 SER HA H 77 5.432 5.432 4.950 0.482 18167 10011 1 11 . 1 1 59 59 SER C C 77 172.602 172.602 172.699 -0.097 18167 10012 1 11 . 1 1 59 59 SER CA C 77 56.593 56.593 57.767 -1.174 18167 10013 1 11 . 1 1 59 59 SER CB C 77 66.720 66.720 66.418 0.302 18167 10014 1 11 . 1 1 59 59 SER H H 77 8.352 8.352 8.966 -0.614 18167 10015 1 11 . 1 1 60 60 VAL N N 78 122.017 122.017 122.897 -0.880 18167 10016 1 11 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.335 0.634 18167 10017 1 11 . 1 1 60 60 VAL C C 78 174.861 174.861 174.425 0.436 18167 10018 1 11 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.097 0.087 18167 10019 1 11 . 1 1 60 60 VAL CB C 78 33.312 33.312 34.194 -0.881 18167 10020 1 11 . 1 1 60 60 VAL H H 78 8.306 8.306 8.824 -0.518 18167 10021 1 11 . 1 1 61 61 ILE N N 79 128.458 128.458 127.509 0.949 18167 10022 1 11 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.588 0.133 18167 10023 1 11 . 1 1 61 61 ILE C C 79 175.639 175.639 174.489 1.150 18167 10024 1 11 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.349 -0.105 18167 10025 1 11 . 1 1 61 61 ILE CB C 79 41.286 41.286 39.523 1.763 18167 10026 1 11 . 1 1 61 61 ILE H H 79 9.193 9.193 7.764 1.429 18167 10027 1 11 . 1 1 62 62 ILE N N 80 129.957 129.957 127.597 2.360 18167 10028 1 11 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.928 0.114 18167 10029 1 11 . 1 1 62 62 ILE C C 80 175.727 175.727 175.191 0.536 18167 10030 1 11 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.390 1.768 18167 10031 1 11 . 1 1 62 62 ILE CB C 80 39.777 39.777 38.081 1.696 18167 10032 1 11 . 1 1 62 62 ILE H H 80 9.140 9.140 7.971 1.169 18167 10033 1 11 . 1 1 63 63 SER N N 81 122.084 122.084 120.806 1.278 18167 10034 1 11 . 1 1 63 63 SER HA H 81 4.878 4.878 4.763 0.115 18167 10035 1 11 . 1 1 63 63 SER C C 81 172.933 172.933 172.371 0.562 18167 10036 1 11 . 1 1 63 63 SER CA C 81 56.689 56.689 57.092 -0.403 18167 10037 1 11 . 1 1 63 63 SER CB C 81 65.862 65.862 66.981 -1.119 18167 10038 1 11 . 1 1 63 63 SER H H 81 9.079 9.079 8.768 0.311 18167 10039 1 11 . 1 1 64 64 GLU N N 82 121.983 121.983 121.906 0.077 18167 10040 1 11 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.733 -0.141 18167 10041 1 11 . 1 1 64 64 GLU C C 82 176.501 176.501 175.983 0.518 18167 10042 1 11 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.462 2.379 18167 10043 1 11 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.602 -0.091 18167 10044 1 11 . 1 1 64 64 GLU H H 82 8.664 8.664 8.448 0.216 18167 10045 1 11 . 1 1 65 65 ILE N N 83 121.194 121.194 120.089 1.105 18167 10046 1 11 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.524 0.053 18167 10047 1 11 . 1 1 65 65 ILE C C 83 173.233 173.233 174.546 -1.313 18167 10048 1 11 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.240 0.558 18167 10049 1 11 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.443 2.046 18167 10050 1 11 . 1 1 65 65 ILE H H 83 8.271 8.271 7.852 0.419 18167 10051 1 11 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.519 -0.068 18167 10052 1 11 . 1 1 66 66 PRO C C 84 177.697 177.697 177.352 0.345 18167 10053 1 11 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.498 0.699 18167 10054 1 11 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.498 -0.433 18167 10055 1 11 . 1 1 67 67 SER N N 85 116.018 116.018 118.411 -2.393 18167 10056 1 11 . 1 1 67 67 SER HA H 85 4.149 4.149 4.156 -0.007 18167 10057 1 11 . 1 1 67 67 SER C C 85 174.387 174.387 174.701 -0.314 18167 10058 1 11 . 1 1 67 67 SER CA C 85 60.348 60.348 60.483 -0.135 18167 10059 1 11 . 1 1 67 67 SER CB C 85 63.402 63.402 63.107 0.295 18167 10060 1 11 . 1 1 67 67 SER H H 85 8.465 8.465 8.616 -0.151 18167 10061 1 11 . 1 1 68 68 ASP N N 86 118.568 118.568 120.977 -2.409 18167 10062 1 11 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.595 -0.037 18167 10063 1 11 . 1 1 68 68 ASP C C 86 175.732 175.732 175.853 -0.121 18167 10064 1 11 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.267 -1.457 18167 10065 1 11 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.847 -0.629 18167 10066 1 11 . 1 1 68 68 ASP H H 86 8.531 8.531 8.470 0.061 18167 10067 1 11 . 1 1 69 69 LYS N N 87 119.225 119.225 117.079 2.146 18167 10068 1 11 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.624 0.058 18167 10069 1 11 . 1 1 69 69 LYS C C 87 175.814 175.814 174.757 1.057 18167 10070 1 11 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.195 -0.334 18167 10071 1 11 . 1 1 69 69 LYS CB C 87 33.706 33.706 36.045 -2.339 18167 10072 1 11 . 1 1 69 69 LYS H H 87 7.653 7.653 7.515 0.138 18167 10073 1 11 . 1 1 70 70 THR N N 88 113.175 113.175 113.365 -0.190 18167 10074 1 11 . 1 1 70 70 THR HA H 88 4.529 4.529 4.544 -0.015 18167 10075 1 11 . 1 1 70 70 THR C C 88 175.278 175.278 175.615 -0.337 18167 10076 1 11 . 1 1 70 70 THR CA C 88 60.699 60.699 59.208 1.491 18167 10077 1 11 . 1 1 70 70 THR CB C 88 70.710 70.710 71.071 -0.361 18167 10078 1 11 . 1 1 70 70 THR H H 88 8.608 8.608 8.152 0.456 18167 10079 1 11 . 1 1 71 71 LEU N N 89 121.978 121.978 122.700 -0.722 18167 10080 1 11 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.933 0.004 18167 10081 1 11 . 1 1 71 71 LEU C C 89 177.698 177.698 177.826 -0.128 18167 10082 1 11 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.334 -0.570 18167 10083 1 11 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.809 0.685 18167 10084 1 11 . 1 1 71 71 LEU H H 89 7.998 7.998 8.936 -0.938 18167 10085 1 11 . 1 1 72 72 THR N N 90 106.680 106.680 110.922 -4.242 18167 10086 1 11 . 1 1 72 72 THR HA H 90 4.221 4.221 4.128 0.093 18167 10087 1 11 . 1 1 72 72 THR C C 90 176.248 176.248 175.813 0.435 18167 10088 1 11 . 1 1 72 72 THR CA C 90 63.648 63.648 64.971 -1.323 18167 10089 1 11 . 1 1 72 72 THR CB C 90 68.620 68.620 68.434 0.186 18167 10090 1 11 . 1 1 72 72 THR H H 90 7.798 7.798 7.817 -0.019 18167 10091 1 11 . 1 1 73 73 ASP N N 91 120.626 120.626 120.057 0.569 18167 10092 1 11 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.538 0.072 18167 10093 1 11 . 1 1 73 73 ASP C C 91 177.133 177.133 177.819 -0.686 18167 10094 1 11 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.931 -0.330 18167 10095 1 11 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.569 1.104 18167 10096 1 11 . 1 1 73 73 ASP H H 91 7.805 7.805 8.249 -0.444 18167 10097 1 11 . 1 1 74 74 LEU N N 92 120.238 120.238 119.915 0.323 18167 10098 1 11 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.009 0.212 18167 10099 1 11 . 1 1 74 74 LEU C C 92 176.907 176.907 176.597 0.310 18167 10100 1 11 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.608 -0.965 18167 10101 1 11 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.637 -1.313 18167 10102 1 11 . 1 1 74 74 LEU H H 92 8.182 8.182 8.142 0.040 18167 10103 1 11 . 1 1 75 75 GLY N N 93 105.772 105.772 101.647 4.125 18167 10104 1 11 . 1 1 75 75 GLY C C 93 173.853 173.853 171.874 1.979 18167 10105 1 11 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.698 -0.670 18167 10106 1 11 . 1 1 75 75 GLY H H 93 7.713 7.713 7.313 0.400 18167 10107 1 11 . 1 1 76 76 THR N N 94 111.354 111.354 109.846 1.508 18167 10108 1 11 . 1 1 76 76 THR HA H 94 4.426 4.426 4.840 -0.414 18167 10109 1 11 . 1 1 76 76 THR C C 94 174.396 174.396 175.903 -1.507 18167 10110 1 11 . 1 1 76 76 THR CA C 94 61.220 61.220 59.654 1.566 18167 10111 1 11 . 1 1 76 76 THR CB C 94 71.400 71.400 72.052 -0.652 18167 10112 1 11 . 1 1 76 76 THR H H 94 8.842 8.842 8.303 0.539 18167 10113 1 11 . 1 1 77 77 ALA N N 95 122.586 122.586 123.659 -1.073 18167 10114 1 11 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.787 -0.461 18167 10115 1 11 . 1 1 77 77 ALA C C 95 179.120 179.120 179.637 -0.517 18167 10116 1 11 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.448 0.176 18167 10117 1 11 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.586 -0.607 18167 10118 1 11 . 1 1 77 77 ALA H H 95 8.861 8.861 8.959 -0.098 18167 10119 1 11 . 1 1 78 78 THR N N 96 110.298 110.298 114.621 -4.323 18167 10120 1 11 . 1 1 78 78 THR HA H 96 3.479 3.479 3.991 -0.512 18167 10121 1 11 . 1 1 78 78 THR C C 96 175.297 175.297 176.715 -1.418 18167 10122 1 11 . 1 1 78 78 THR CA C 96 66.314 66.314 66.788 -0.474 18167 10123 1 11 . 1 1 78 78 THR CB C 96 68.335 68.335 68.459 -0.124 18167 10124 1 11 . 1 1 78 78 THR H H 96 7.757 7.757 7.698 0.059 18167 10125 1 11 . 1 1 79 79 ASP N N 97 122.829 122.829 122.760 0.069 18167 10126 1 11 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.619 -0.207 18167 10127 1 11 . 1 1 79 79 ASP C C 97 179.693 179.693 178.783 0.910 18167 10128 1 11 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.283 0.711 18167 10129 1 11 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.777 -0.246 18167 10130 1 11 . 1 1 79 79 ASP H H 97 7.448 7.448 8.087 -0.639 18167 10131 1 11 . 1 1 80 80 VAL N N 98 121.175 121.175 119.359 1.816 18167 10132 1 11 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.714 -0.232 18167 10133 1 11 . 1 1 80 80 VAL C C 98 178.667 178.667 178.199 0.468 18167 10134 1 11 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.242 0.315 18167 10135 1 11 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.783 -0.275 18167 10136 1 11 . 1 1 80 80 VAL H H 98 8.390 8.390 8.781 -0.391 18167 10137 1 11 . 1 1 81 81 GLY N N 99 108.920 108.920 107.888 1.032 18167 10138 1 11 . 1 1 81 81 GLY C C 99 175.133 175.133 176.131 -0.998 18167 10139 1 11 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.236 1.814 18167 10140 1 11 . 1 1 81 81 GLY H H 99 8.630 8.630 7.796 0.834 18167 10141 1 11 . 1 1 82 82 TYR N N 100 121.598 121.598 122.018 -0.420 18167 10142 1 11 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.297 0.031 18167 10143 1 11 . 1 1 82 82 TYR C C 100 179.383 179.383 178.469 0.914 18167 10144 1 11 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.418 0.321 18167 10145 1 11 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.085 -0.986 18167 10146 1 11 . 1 1 82 82 TYR H H 100 8.880 8.880 8.038 0.842 18167 10147 1 11 . 1 1 83 83 ARG N N 101 121.436 121.436 118.933 2.503 18167 10148 1 11 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.986 0.101 18167 10149 1 11 . 1 1 83 83 ARG C C 101 178.906 178.906 178.673 0.233 18167 10150 1 11 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.068 0.479 18167 10151 1 11 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.503 0.120 18167 10152 1 11 . 1 1 83 83 ARG H H 101 8.102 8.102 8.311 -0.209 18167 10153 1 11 . 1 1 84 84 PHE N N 102 121.581 121.581 121.371 0.210 18167 10154 1 11 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.217 0.170 18167 10155 1 11 . 1 1 84 84 PHE C C 102 177.731 177.731 176.927 0.804 18167 10156 1 11 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.695 -1.689 18167 10157 1 11 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.831 -0.590 18167 10158 1 11 . 1 1 84 84 PHE H H 102 8.511 8.511 7.820 0.691 18167 10159 1 11 . 1 1 85 85 MET N N 103 117.909 117.909 118.906 -0.997 18167 10160 1 11 . 1 1 85 85 MET HA H 103 3.850 3.850 3.882 -0.032 18167 10161 1 11 . 1 1 85 85 MET C C 103 178.063 178.063 178.069 -0.006 18167 10162 1 11 . 1 1 85 85 MET CA C 103 57.352 57.352 57.541 -0.189 18167 10163 1 11 . 1 1 85 85 MET CB C 103 33.654 33.654 31.329 2.325 18167 10164 1 11 . 1 1 85 85 MET H H 103 8.350 8.350 7.660 0.690 18167 10165 1 11 . 1 1 86 86 LYS N N 104 118.874 118.874 119.474 -0.600 18167 10166 1 11 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.912 0.092 18167 10167 1 11 . 1 1 86 86 LYS C C 104 177.910 177.910 179.056 -1.146 18167 10168 1 11 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.822 -0.374 18167 10169 1 11 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.321 -0.636 18167 10170 1 11 . 1 1 86 86 LYS H H 104 7.578 7.578 7.767 -0.189 18167 10171 1 11 . 1 1 87 87 THR N N 105 114.567 114.567 115.846 -1.279 18167 10172 1 11 . 1 1 87 87 THR HA H 105 3.949 3.949 3.966 -0.017 18167 10173 1 11 . 1 1 87 87 THR C C 105 176.912 176.912 176.517 0.395 18167 10174 1 11 . 1 1 87 87 THR CA C 105 66.108 66.108 66.666 -0.558 18167 10175 1 11 . 1 1 87 87 THR CB C 105 68.909 68.909 68.489 0.420 18167 10176 1 11 . 1 1 87 87 THR H H 105 7.667 7.667 7.795 -0.128 18167 10177 1 11 . 1 1 88 88 VAL N N 106 122.160 122.160 120.192 1.968 18167 10178 1 11 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.511 -0.020 18167 10179 1 11 . 1 1 88 88 VAL C C 106 178.950 178.950 178.168 0.782 18167 10180 1 11 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.616 0.208 18167 10181 1 11 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.362 0.147 18167 10182 1 11 . 1 1 88 88 VAL H H 106 7.600 7.600 8.023 -0.423 18167 10183 1 11 . 1 1 89 89 ASN N N 107 120.741 120.741 118.683 2.058 18167 10184 1 11 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.374 0.116 18167 10185 1 11 . 1 1 89 89 ASN C C 107 178.483 178.483 176.856 1.627 18167 10186 1 11 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.501 0.441 18167 10187 1 11 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.734 0.156 18167 10188 1 11 . 1 1 89 89 ASN H H 107 8.501 8.501 8.395 0.106 18167 10189 1 11 . 1 1 90 90 ASP N N 108 121.211 121.211 120.174 1.037 18167 10190 1 11 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.348 0.132 18167 10191 1 11 . 1 1 90 90 ASP C C 108 177.598 177.598 177.061 0.537 18167 10192 1 11 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.869 -0.502 18167 10193 1 11 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.657 -0.415 18167 10194 1 11 . 1 1 90 90 ASP H H 108 8.824 8.824 8.248 0.576 18167 10195 1 11 . 1 1 91 91 ALA N N 109 121.181 121.181 117.150 4.031 18167 10196 1 11 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.374 0.018 18167 10197 1 11 . 1 1 91 91 ALA C C 109 177.936 177.936 177.566 0.370 18167 10198 1 11 . 1 1 91 91 ALA CA C 109 52.692 52.692 52.504 0.188 18167 10199 1 11 . 1 1 91 91 ALA CB C 109 18.889 18.889 20.449 -1.560 18167 10200 1 11 . 1 1 91 91 ALA H H 109 7.507 7.507 7.411 0.096 18167 10201 1 11 . 1 1 92 92 SER N N 110 113.785 113.785 113.132 0.653 18167 10202 1 11 . 1 1 92 92 SER HA H 110 4.537 4.537 4.657 -0.120 18167 10203 1 11 . 1 1 92 92 SER C C 110 174.252 174.252 174.758 -0.506 18167 10204 1 11 . 1 1 92 92 SER CA C 110 58.565 58.565 57.818 0.747 18167 10205 1 11 . 1 1 92 92 SER CB C 110 64.795 64.795 64.210 0.585 18167 10206 1 11 . 1 1 92 92 SER H H 110 7.611 7.611 7.512 0.099 18167 10207 1 11 . 1 1 93 93 GLN N N 111 119.994 119.994 120.164 -0.170 18167 10208 1 11 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.317 0.106 18167 10209 1 11 . 1 1 93 93 GLN C C 111 176.441 176.441 177.210 -0.769 18167 10210 1 11 . 1 1 93 93 GLN CA C 111 55.792 55.792 57.291 -1.499 18167 10211 1 11 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.340 0.503 18167 10212 1 11 . 1 1 93 93 GLN H H 111 8.414 8.414 8.140 0.274 18167 10213 1 11 . 1 1 94 94 GLY N N 112 107.948 107.948 111.167 -3.219 18167 10214 1 11 . 1 1 94 94 GLY C C 112 174.406 174.406 174.951 -0.545 18167 10215 1 11 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.136 -0.194 18167 10216 1 11 . 1 1 94 94 GLY H H 112 8.467 8.467 8.649 -0.182 18167 10217 1 11 . 1 1 95 95 ASP N N 113 119.500 119.500 117.884 1.616 18167 10218 1 11 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.595 -0.039 18167 10219 1 11 . 1 1 95 95 ASP C C 113 175.438 175.438 175.950 -0.512 18167 10220 1 11 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.282 0.398 18167 10221 1 11 . 1 1 95 95 ASP CB C 113 40.194 40.194 40.778 -0.584 18167 10222 1 11 . 1 1 95 95 ASP H H 113 8.423 8.423 8.219 0.204 18167 10223 1 11 . 1 1 96 96 ARG N N 114 118.992 118.992 121.559 -2.567 18167 10224 1 11 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.276 0.785 18167 10225 1 11 . 1 1 96 96 ARG C C 114 175.699 175.699 174.494 1.205 18167 10226 1 11 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.408 -1.365 18167 10227 1 11 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.016 1.624 18167 10228 1 11 . 1 1 96 96 ARG H H 114 7.507 7.507 7.675 -0.168 18167 10229 1 11 . 1 1 97 97 GLN N N 115 121.149 121.149 123.929 -2.780 18167 10230 1 11 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.671 -0.002 18167 10231 1 11 . 1 1 97 97 GLN C C 115 173.696 173.696 174.006 -0.310 18167 10232 1 11 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.382 0.175 18167 10233 1 11 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.370 -1.297 18167 10234 1 11 . 1 1 97 97 GLN H H 115 8.814 8.814 8.152 0.662 18167 10235 1 11 . 1 1 98 98 ALA N N 116 129.789 129.789 127.620 2.169 18167 10236 1 11 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.098 0.218 18167 10237 1 11 . 1 1 98 98 ALA C C 116 176.503 176.503 176.728 -0.225 18167 10238 1 11 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.633 0.181 18167 10239 1 11 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.545 0.497 18167 10240 1 11 . 1 1 98 98 ALA H H 116 9.836 9.836 8.665 1.171 18167 10241 1 11 . 1 1 99 99 GLU N N 117 122.780 122.780 123.198 -0.418 18167 10242 1 11 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.648 -0.045 18167 10243 1 11 . 1 1 99 99 GLU C C 117 174.361 174.361 175.090 -0.729 18167 10244 1 11 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.940 -0.620 18167 10245 1 11 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.944 0.368 18167 10246 1 11 . 1 1 99 99 GLU H H 117 9.252 9.252 8.696 0.556 18167 10247 1 11 . 1 1 100 100 LEU N N 118 127.043 127.043 127.320 -0.277 18167 10248 1 11 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.374 -0.067 18167 10249 1 11 . 1 1 100 100 LEU C C 118 176.338 176.338 176.493 -0.155 18167 10250 1 11 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.159 0.363 18167 10251 1 11 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.159 0.482 18167 10252 1 11 . 1 1 100 100 LEU H H 118 8.765 8.765 8.855 -0.090 18167 10253 1 11 . 1 1 101 101 ILE N N 119 128.101 128.101 127.975 0.126 18167 10254 1 11 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.814 0.282 18167 10255 1 11 . 1 1 101 101 ILE C C 119 175.634 175.634 176.623 -0.989 18167 10256 1 11 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.278 -0.875 18167 10257 1 11 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.492 0.565 18167 10258 1 11 . 1 1 101 101 ILE H H 119 9.244 9.244 8.567 0.677 18167 10259 1 11 . 1 1 102 102 ASN N N 120 114.715 114.715 113.859 0.856 18167 10260 1 11 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.701 0.254 18167 10261 1 11 . 1 1 102 102 ASN C C 120 172.326 172.326 172.600 -0.274 18167 10262 1 11 . 1 1 102 102 ASN CA C 120 53.373 53.373 53.079 0.294 18167 10263 1 11 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.098 1.789 18167 10264 1 11 . 1 1 102 102 ASN H H 120 7.989 7.989 7.963 0.026 18167 10265 1 11 . 1 1 103 103 ALA N N 121 125.011 125.011 121.845 3.166 18167 10266 1 11 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.191 0.266 18167 10267 1 11 . 1 1 103 103 ALA C C 121 175.068 175.068 175.598 -0.530 18167 10268 1 11 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.160 0.199 18167 10269 1 11 . 1 1 103 103 ALA CB C 121 22.409 22.409 22.384 0.025 18167 10270 1 11 . 1 1 103 103 ALA H H 121 8.182 8.182 8.334 -0.151 18167 10271 1 11 . 1 1 104 104 GLU N N 122 121.148 121.148 120.317 0.831 18167 10272 1 11 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.598 0.097 18167 10273 1 11 . 1 1 104 104 GLU C C 122 173.666 173.666 174.366 -0.700 18167 10274 1 11 . 1 1 104 104 GLU CA C 122 55.093 55.093 55.775 -0.682 18167 10275 1 11 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.215 0.295 18167 10276 1 11 . 1 1 104 104 GLU H H 122 8.817 8.817 8.713 0.104 18167 10277 1 11 . 1 1 105 105 ALA N N 123 124.441 124.441 125.422 -0.981 18167 10278 1 11 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.223 0.304 18167 10279 1 11 . 1 1 105 105 ALA C C 123 176.479 176.479 176.810 -0.331 18167 10280 1 11 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.677 0.454 18167 10281 1 11 . 1 1 105 105 ALA CB C 123 22.851 22.851 20.760 2.091 18167 10282 1 11 . 1 1 105 105 ALA H H 123 8.860 8.860 8.318 0.542 18167 10283 1 11 . 1 1 106 106 ARG N N 124 120.892 120.892 121.488 -0.596 18167 10284 1 11 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.741 0.082 18167 10285 1 11 . 1 1 106 106 ARG C C 124 172.820 172.820 174.274 -1.454 18167 10286 1 11 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.856 -0.084 18167 10287 1 11 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.154 -0.884 18167 10288 1 11 . 1 1 106 106 ARG H H 124 9.209 9.209 9.270 -0.061 18167 10289 1 11 . 1 1 107 107 ASP N N 125 122.706 122.706 122.414 0.292 18167 10290 1 11 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.633 -0.394 18167 10291 1 11 . 1 1 107 107 ASP C C 125 176.097 176.097 175.007 1.090 18167 10292 1 11 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.709 -0.765 18167 10293 1 11 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.853 0.285 18167 10294 1 11 . 1 1 107 107 ASP H H 125 8.633 8.633 8.633 -0.000 18167 10295 1 11 . 1 1 108 108 GLU N N 126 126.120 126.120 124.638 1.482 18167 10296 1 11 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.714 -0.009 18167 10297 1 11 . 1 1 108 108 GLU C C 126 175.768 175.768 176.499 -0.731 18167 10298 1 11 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.260 -0.243 18167 10299 1 11 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.562 -3.138 18167 10300 1 11 . 1 1 108 108 GLU H H 126 9.152 9.152 9.230 -0.078 18167 10301 1 11 . 1 1 109 109 ASP N N 127 126.277 126.277 123.500 2.777 18167 10302 1 11 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.390 -0.036 18167 10303 1 11 . 1 1 109 109 ASP C C 127 175.414 175.414 176.611 -1.197 18167 10304 1 11 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.957 0.433 18167 10305 1 11 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.272 -0.030 18167 10306 1 11 . 1 1 109 109 ASP H H 127 9.067 9.067 9.147 -0.080 18167 10307 1 11 . 1 1 110 110 GLY N N 128 106.859 106.859 103.683 3.176 18167 10308 1 11 . 1 1 110 110 GLY C C 128 173.761 173.761 174.367 -0.606 18167 10309 1 11 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.212 0.030 18167 10310 1 11 . 1 1 110 110 GLY H H 128 9.008 9.008 8.751 0.257 18167 10311 1 11 . 1 1 111 111 GLN N N 129 123.033 123.033 120.357 2.676 18167 10312 1 11 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.538 -0.155 18167 10313 1 11 . 1 1 111 111 GLN C C 129 173.901 173.901 174.389 -0.488 18167 10314 1 11 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.370 -0.434 18167 10315 1 11 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.050 -1.867 18167 10316 1 11 . 1 1 111 111 GLN H H 129 7.825 7.825 8.272 -0.447 18167 10317 1 11 . 1 1 112 112 VAL N N 130 128.263 128.263 121.872 6.391 18167 10318 1 11 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.815 0.057 18167 10319 1 11 . 1 1 112 112 VAL C C 130 175.591 175.591 174.939 0.652 18167 10320 1 11 . 1 1 112 112 VAL CA C 130 62.103 62.103 60.992 1.111 18167 10321 1 11 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.371 -0.998 18167 10322 1 11 . 1 1 112 112 VAL H H 130 8.330 8.330 8.247 0.083 18167 10323 1 11 . 1 1 113 113 TYR N N 131 126.702 126.702 125.151 1.551 18167 10324 1 11 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.927 0.123 18167 10325 1 11 . 1 1 113 113 TYR C C 131 175.477 175.477 175.007 0.470 18167 10326 1 11 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.179 0.244 18167 10327 1 11 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.766 0.723 18167 10328 1 11 . 1 1 113 113 TYR H H 131 9.136 9.136 9.075 0.061 18167 10329 1 11 . 1 1 114 114 TYR N N 132 121.626 121.626 124.546 -2.920 18167 10330 1 11 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.156 0.674 18167 10331 1 11 . 1 1 114 114 TYR C C 132 175.368 175.368 175.446 -0.078 18167 10332 1 11 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.980 -1.912 18167 10333 1 11 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.972 -0.655 18167 10334 1 11 . 1 1 114 114 TYR H H 132 9.577 9.577 9.541 0.036 18167 10335 1 11 . 1 1 115 115 THR N N 133 120.018 120.018 121.552 -1.534 18167 10336 1 11 . 1 1 115 115 THR HA H 133 5.486 5.486 4.623 0.863 18167 10337 1 11 . 1 1 115 115 THR C C 133 174.327 174.327 173.008 1.319 18167 10338 1 11 . 1 1 115 115 THR CA C 133 61.648 61.648 62.367 -0.719 18167 10339 1 11 . 1 1 115 115 THR CB C 133 69.622 69.622 69.781 -0.159 18167 10340 1 11 . 1 1 115 115 THR H H 133 9.351 9.351 9.323 0.028 18167 10341 1 11 . 1 1 116 116 LEU N N 134 127.249 127.249 128.463 -1.214 18167 10342 1 11 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.669 0.626 18167 10343 1 11 . 1 1 116 116 LEU C C 134 174.347 174.347 174.460 -0.113 18167 10344 1 11 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.188 -1.560 18167 10345 1 11 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.584 -0.049 18167 10346 1 11 . 1 1 116 116 LEU H H 134 10.010 10.010 9.510 0.500 18167 10347 1 11 . 1 1 117 117 GLU N N 135 124.969 124.969 125.668 -0.699 18167 10348 1 11 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.736 0.842 18167 10349 1 11 . 1 1 117 117 GLU C C 135 175.635 175.635 174.550 1.085 18167 10350 1 11 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.773 -0.634 18167 10351 1 11 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.543 -0.380 18167 10352 1 11 . 1 1 117 117 GLU H H 135 9.109 9.109 8.853 0.256 18167 10353 1 11 . 1 1 118 118 TYR N N 136 125.868 125.868 123.012 2.856 18167 10354 1 11 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.495 -0.220 18167 10355 1 11 . 1 1 118 118 TYR C C 136 170.317 170.317 172.654 -2.337 18167 10356 1 11 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.749 0.262 18167 10357 1 11 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.142 0.374 18167 10358 1 11 . 1 1 118 118 TYR H H 136 8.973 8.973 8.387 0.586 18167 10359 1 11 . 1 1 119 119 ARG N N 137 115.256 115.256 117.788 -2.532 18167 10360 1 11 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.611 0.466 18167 10361 1 11 . 1 1 119 119 ARG C C 137 173.643 173.643 174.367 -0.724 18167 10362 1 11 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.165 -1.042 18167 10363 1 11 . 1 1 119 119 ARG CB C 137 33.185 33.185 33.935 -0.750 18167 10364 1 11 . 1 1 119 119 ARG H H 137 8.920 8.920 9.124 -0.204 18167 10365 1 11 . 1 1 120 120 VAL N N 138 119.767 119.767 121.811 -2.044 18167 10366 1 11 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.823 -0.037 18167 10367 1 11 . 1 1 120 120 VAL C C 138 174.355 174.355 174.948 -0.593 18167 10368 1 11 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.678 0.105 18167 10369 1 11 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.479 0.683 18167 10370 1 11 . 1 1 120 120 VAL H H 138 8.430 8.430 8.563 -0.133 18167 10371 1 11 . 1 1 121 121 LEU N N 139 129.915 129.915 125.792 4.123 18167 10372 1 11 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.129 -0.044 18167 10373 1 11 . 1 1 121 121 LEU C C 139 176.376 176.376 174.632 1.744 18167 10374 1 11 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.374 0.285 18167 10375 1 11 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.411 -1.289 18167 10376 1 11 . 1 1 121 121 LEU H H 139 9.333 9.333 8.605 0.728 18167 10377 1 11 . 1 1 122 122 VAL N N 140 120.956 120.956 121.935 -0.979 18167 10378 1 11 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.567 -0.192 18167 10379 1 11 . 1 1 122 122 VAL C C 140 177.264 177.264 177.144 0.120 18167 10380 1 11 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.351 1.117 18167 10381 1 11 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.469 -0.596 18167 10382 1 11 . 1 1 122 122 VAL H H 140 8.655 8.655 7.877 0.778 18167 10383 1 11 . 1 1 123 123 GLY N N 141 119.059 119.059 118.042 1.017 18167 10384 1 11 . 1 1 123 123 GLY C C 141 174.482 174.482 174.252 0.230 18167 10385 1 11 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.559 0.609 18167 10386 1 11 . 1 1 123 123 GLY H H 141 8.940 8.940 8.519 0.421 18167 10387 1 11 . 1 1 124 124 ASP N N 142 124.652 124.652 124.092 0.560 18167 10388 1 11 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.847 -0.213 18167 10389 1 11 . 1 1 124 124 ASP C C 142 175.588 175.588 175.792 -0.204 18167 10390 1 11 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.618 0.771 18167 10391 1 11 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.694 0.570 18167 10392 1 11 . 1 1 124 124 ASP H H 142 8.722 8.722 8.588 0.134 18167 10393 1 11 . 1 1 125 125 ASN N N 143 118.203 118.203 117.259 0.944 18167 10394 1 11 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.800 0.127 18167 10395 1 11 . 1 1 125 125 ASN C C 143 174.095 174.095 173.387 0.708 18167 10396 1 11 . 1 1 125 125 ASN CA C 143 52.406 52.406 51.725 0.681 18167 10397 1 11 . 1 1 125 125 ASN CB C 143 41.063 41.063 40.855 0.208 18167 10398 1 11 . 1 1 125 125 ASN H H 143 8.023 8.023 7.825 0.198 18167 10399 1 11 . 1 1 126 126 VAL N N 144 123.424 123.424 119.887 3.537 18167 10400 1 11 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.131 -0.051 18167 10401 1 11 . 1 1 126 126 VAL C C 144 175.767 175.767 175.429 0.338 18167 10402 1 11 . 1 1 126 126 VAL CA C 144 63.309 63.309 61.137 2.172 18167 10403 1 11 . 1 1 126 126 VAL H H 144 8.857 8.857 8.330 0.527 18167 10404 1 11 . 1 1 127 127 GLU N N 145 130.709 130.709 129.218 1.491 18167 10405 1 11 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.128 0.277 18167 10406 1 11 . 1 1 127 127 GLU C C 145 176.522 176.522 176.191 0.331 18167 10407 1 11 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.667 -0.703 18167 10408 1 11 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.002 1.353 18167 10409 1 11 . 1 1 127 127 GLU H H 145 9.487 9.487 9.013 0.474 18167 10410 1 11 . 1 1 128 128 ARG N N 146 113.222 113.222 112.484 0.738 18167 10411 1 11 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.430 0.631 18167 10412 1 11 . 1 1 128 128 ARG C C 146 172.055 172.055 173.769 -1.714 18167 10413 1 11 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.285 -0.904 18167 10414 1 11 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.444 1.547 18167 10415 1 11 . 1 1 128 128 ARG H H 146 7.657 7.657 7.603 0.054 18167 10416 1 11 . 1 1 129 129 HIS N N 147 125.158 125.158 117.461 7.697 18167 10417 1 11 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.405 0.227 18167 10418 1 11 . 1 1 129 129 HIS C C 147 172.407 172.407 173.073 -0.666 18167 10419 1 11 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.923 -0.727 18167 10420 1 11 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.486 0.450 18167 10421 1 11 . 1 1 129 129 HIS H H 147 9.295 9.295 8.119 1.176 18167 10422 1 11 . 1 1 130 130 ASP N N 148 122.383 122.383 121.359 1.024 18167 10423 1 11 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.093 1.034 18167 10424 1 11 . 1 1 130 130 ASP C C 148 174.350 174.350 173.642 0.708 18167 10425 1 11 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.669 -0.722 18167 10426 1 11 . 1 1 130 130 ASP CB C 148 42.968 42.968 43.945 -0.977 18167 10427 1 11 . 1 1 130 130 ASP H H 148 8.879 8.879 8.054 0.825 18167 10428 1 11 . 1 1 131 131 LEU N N 149 121.444 121.444 124.407 -2.963 18167 10429 1 11 . 1 1 131 131 LEU HA H 149 5.289 5.289 5.045 0.244 18167 10430 1 11 . 1 1 131 131 LEU C C 149 174.289 174.289 174.106 0.183 18167 10431 1 11 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.094 0.763 18167 10432 1 11 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.094 1.774 18167 10433 1 11 . 1 1 131 131 LEU H H 149 8.916 8.916 8.141 0.775 18167 10434 1 11 . 1 1 132 132 ALA N N 150 128.498 128.498 128.436 0.062 18167 10435 1 11 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.472 0.558 18167 10436 1 11 . 1 1 132 132 ALA C C 150 176.044 176.044 175.373 0.671 18167 10437 1 11 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.044 -0.642 18167 10438 1 11 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.499 -0.676 18167 10439 1 11 . 1 1 132 132 ALA H H 150 9.920 9.920 9.209 0.711 18167 10440 1 11 . 1 1 133 133 SER N N 151 116.937 116.937 118.224 -1.287 18167 10441 1 11 . 1 1 133 133 SER HA H 151 5.812 5.812 5.554 0.258 18167 10442 1 11 . 1 1 133 133 SER C C 151 173.367 173.367 173.676 -0.309 18167 10443 1 11 . 1 1 133 133 SER CA C 151 56.394 56.394 56.188 0.206 18167 10444 1 11 . 1 1 133 133 SER CB C 151 65.448 65.448 64.595 0.853 18167 10445 1 11 . 1 1 133 133 SER H H 151 9.360 9.360 8.204 1.156 18167 10446 1 11 . 1 1 134 134 VAL N N 152 126.011 126.011 129.915 -3.904 18167 10447 1 11 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.787 0.622 18167 10448 1 11 . 1 1 134 134 VAL C C 152 175.735 175.735 174.895 0.840 18167 10449 1 11 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.300 -1.137 18167 10450 1 11 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.966 1.954 18167 10451 1 11 . 1 1 134 134 VAL H H 152 9.558 9.558 9.326 0.232 18167 10452 1 11 . 1 1 135 135 THR N N 153 118.998 118.998 123.386 -4.388 18167 10453 1 11 . 1 1 135 135 THR HA H 153 4.723 4.723 4.976 -0.253 18167 10454 1 11 . 1 1 135 135 THR C C 153 171.746 171.746 173.447 -1.701 18167 10455 1 11 . 1 1 135 135 THR CA C 153 61.221 61.221 61.357 -0.136 18167 10456 1 11 . 1 1 135 135 THR CB C 153 69.300 69.300 72.701 -3.401 18167 10457 1 11 . 1 1 135 135 THR H H 153 8.960 8.960 9.181 -0.221 18167 10458 1 11 . 1 1 136 136 THR N N 154 109.883 109.883 116.648 -6.765 18167 10459 1 11 . 1 1 136 136 THR HA H 154 5.636 5.636 5.431 0.205 18167 10460 1 11 . 1 1 136 136 THR C C 154 173.904 173.904 173.697 0.207 18167 10461 1 11 . 1 1 136 136 THR CA C 154 58.391 58.391 59.456 -1.065 18167 10462 1 11 . 1 1 136 136 THR CB C 154 71.387 71.387 70.767 0.620 18167 10463 1 11 . 1 1 136 136 THR H H 154 7.940 7.940 8.445 -0.505 18167 10464 1 11 . 1 1 137 137 ASN N N 155 115.138 115.138 119.262 -4.124 18167 10465 1 11 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.793 0.113 18167 10466 1 11 . 1 1 137 137 ASN C C 155 174.994 174.994 175.190 -0.196 18167 10467 1 11 . 1 1 137 137 ASN CA C 155 54.345 54.345 52.778 1.567 18167 10468 1 11 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.905 0.902 18167 10469 1 11 . 1 1 137 137 ASN H H 155 8.938 8.938 8.511 0.427 18167 10470 1 11 . 1 1 138 138 ARG N N 156 125.040 125.040 123.864 1.176 18167 10471 1 11 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.912 0.045 18167 10472 1 11 . 1 1 138 138 ARG C C 156 175.870 175.870 176.299 -0.429 18167 10473 1 11 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.105 0.019 18167 10474 1 11 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.129 -0.470 18167 10475 1 11 . 1 1 138 138 ARG H H 156 9.364 9.364 9.054 0.310 18167 10476 1 11 . 1 1 139 139 GLY N N 157 104.408 104.408 102.955 1.453 18167 10477 1 11 . 1 1 139 139 GLY C C 157 173.563 173.563 174.177 -0.614 18167 10478 1 11 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.235 0.586 18167 10479 1 11 . 1 1 139 139 GLY H H 157 8.862 8.862 8.471 0.391 18167 10480 1 11 . 1 1 140 140 LYS N N 158 117.999 117.999 120.438 -2.439 18167 10481 1 11 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.609 0.351 18167 10482 1 11 . 1 1 140 140 LYS C C 158 174.527 174.527 174.963 -0.436 18167 10483 1 11 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.274 -0.552 18167 10484 1 11 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.523 1.341 18167 10485 1 11 . 1 1 140 140 LYS H H 158 7.718 7.718 7.902 -0.184 18167 10486 1 11 . 1 1 141 141 LEU N N 159 124.332 124.332 126.977 -2.645 18167 10487 1 11 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.482 0.148 18167 10488 1 11 . 1 1 141 141 LEU C C 159 175.337 175.337 174.996 0.341 18167 10489 1 11 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.261 -0.023 18167 10490 1 11 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.261 0.611 18167 10491 1 11 . 1 1 141 141 LEU H H 159 9.006 9.006 9.102 -0.096 18167 10492 1 11 . 1 1 142 142 ILE N N 160 128.619 128.619 127.059 1.560 18167 10493 1 11 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.548 0.181 18167 10494 1 11 . 1 1 142 142 ILE C C 160 173.414 173.414 174.689 -1.275 18167 10495 1 11 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.461 0.773 18167 10496 1 11 . 1 1 142 142 ILE CB C 160 40.184 40.184 41.156 -0.972 18167 10497 1 11 . 1 1 142 142 ILE H H 160 9.129 9.129 8.985 0.144 18167 10498 1 11 . 1 1 143 143 THR N N 161 122.266 122.266 122.349 -0.083 18167 10499 1 11 . 1 1 143 143 THR HA H 161 4.797 4.797 5.332 -0.535 18167 10500 1 11 . 1 1 143 143 THR C C 161 171.903 171.903 173.181 -1.278 18167 10501 1 11 . 1 1 143 143 THR CA C 161 61.666 61.666 60.616 1.050 18167 10502 1 11 . 1 1 143 143 THR CB C 161 70.025 70.025 71.747 -1.722 18167 10503 1 11 . 1 1 143 143 THR H H 161 8.818 8.818 8.182 0.636 18167 10504 1 11 . 1 1 144 144 PHE N N 162 130.742 130.742 125.679 5.063 18167 10505 1 11 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.749 0.041 18167 10506 1 11 . 1 1 144 144 PHE C C 162 173.404 173.404 173.676 -0.272 18167 10507 1 11 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.278 -1.058 18167 10508 1 11 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.032 -1.292 18167 10509 1 11 . 1 1 144 144 PHE H H 162 9.219 9.219 8.763 0.456 18167 10510 1 11 . 1 1 145 145 ASP N N 163 127.154 127.154 127.462 -0.308 18167 10511 1 11 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.222 -0.266 18167 10512 1 11 . 1 1 145 145 ASP C C 163 174.933 174.933 174.625 0.308 18167 10513 1 11 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.849 0.561 18167 10514 1 11 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.463 0.861 18167 10515 1 11 . 1 1 145 145 ASP H H 163 8.862 8.862 8.426 0.436 18167 10516 1 11 . 1 1 146 146 LEU N N 164 131.658 131.658 128.027 3.631 18167 10517 1 11 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.757 -0.162 18167 10518 1 11 . 1 1 146 146 LEU C C 164 174.511 174.511 175.687 -1.176 18167 10519 1 11 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.466 -0.495 18167 10520 1 11 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.129 -2.032 18167 10521 1 11 . 1 1 146 146 LEU H H 164 8.938 8.938 8.574 0.364 18167 10522 1 11 . 1 1 147 147 SER N N 165 114.966 114.966 119.001 -4.035 18167 10523 1 11 . 1 1 147 147 SER HA H 165 5.186 5.186 5.241 -0.055 18167 10524 1 11 . 1 1 147 147 SER C C 165 173.417 173.417 173.706 -0.289 18167 10525 1 11 . 1 1 147 147 SER CA C 165 56.600 56.600 57.740 -1.140 18167 10526 1 11 . 1 1 147 147 SER CB C 165 67.205 67.205 66.168 1.037 18167 10527 1 11 . 1 1 147 147 SER H H 165 8.995 8.995 8.783 0.212 18167 10528 1 11 . 1 1 148 148 THR N N 166 118.620 118.620 119.810 -1.190 18167 10529 1 11 . 1 1 148 148 THR HA H 166 5.144 5.144 4.670 0.474 18167 10530 1 11 . 1 1 148 148 THR C C 166 173.151 173.151 172.487 0.664 18167 10531 1 11 . 1 1 148 148 THR CA C 166 60.362 60.362 61.468 -1.106 18167 10532 1 11 . 1 1 148 148 THR CB C 166 69.214 69.214 72.651 -3.437 18167 10533 1 11 . 1 1 148 148 THR H H 166 8.614 8.614 8.067 0.547 18167 10534 1 11 . 1 1 149 149 ALA N N 167 124.595 124.595 124.818 -0.223 18167 10535 1 11 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.259 0.346 18167 10536 1 11 . 1 1 149 149 ALA C C 167 179.460 179.460 178.581 0.879 18167 10537 1 11 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.377 -0.821 18167 10538 1 11 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.631 0.626 18167 10539 1 11 . 1 1 149 149 ALA H H 167 8.107 8.107 8.712 -0.605 18167 10540 1 11 . 1 1 150 150 GLU N N 168 123.906 123.906 122.576 1.330 18167 10541 1 11 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.842 0.656 18167 10542 1 11 . 1 1 150 150 GLU C C 168 178.587 178.587 177.574 1.013 18167 10543 1 11 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.831 0.115 18167 10544 1 11 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.031 -0.324 18167 10545 1 11 . 1 1 150 150 GLU H H 168 8.471 8.471 8.898 -0.427 18167 10546 1 11 . 1 1 151 151 ASP N N 169 114.005 114.005 119.106 -5.101 18167 10547 1 11 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.450 0.033 18167 10548 1 11 . 1 1 151 151 ASP C C 169 177.260 177.260 177.535 -0.275 18167 10549 1 11 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.440 -0.522 18167 10550 1 11 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.251 -0.166 18167 10551 1 11 . 1 1 151 151 ASP H H 169 8.575 8.575 8.709 -0.134 18167 10552 1 11 . 1 1 152 152 ARG N N 170 118.283 118.283 117.000 1.283 18167 10553 1 11 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.686 -0.355 18167 10554 1 11 . 1 1 152 152 ARG C C 170 177.094 177.094 177.314 -0.220 18167 10555 1 11 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.656 0.180 18167 10556 1 11 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.506 0.478 18167 10557 1 11 . 1 1 152 152 ARG H H 170 7.663 7.663 7.565 0.098 18167 10558 1 11 . 1 1 153 153 TRP N N 171 122.336 122.336 123.466 -1.130 18167 10559 1 11 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.498 -0.588 18167 10560 1 11 . 1 1 153 153 TRP C C 171 175.820 175.820 176.353 -0.533 18167 10561 1 11 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.778 -0.902 18167 10562 1 11 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.391 0.017 18167 10563 1 11 . 1 1 153 153 TRP H H 171 7.689 7.689 7.966 -0.277 18167 10564 1 11 . 1 1 154 154 ASP N N 172 114.179 114.179 116.600 -2.421 18167 10565 1 11 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.528 -0.511 18167 10566 1 11 . 1 1 154 154 ASP C C 172 178.442 178.442 179.434 -0.992 18167 10567 1 11 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.376 0.127 18167 10568 1 11 . 1 1 154 154 ASP CB C 172 40.164 40.164 41.005 -0.841 18167 10569 1 11 . 1 1 154 154 ASP H H 172 8.690 8.690 8.412 0.278 18167 10570 1 11 . 1 1 155 155 THR N N 173 114.661 114.661 116.022 -1.361 18167 10571 1 11 . 1 1 155 155 THR HA H 173 3.990 3.990 4.121 -0.131 18167 10572 1 11 . 1 1 155 155 THR C C 173 175.985 175.985 176.021 -0.036 18167 10573 1 11 . 1 1 155 155 THR CA C 173 65.585 65.585 65.572 0.013 18167 10574 1 11 . 1 1 155 155 THR CB C 173 69.076 69.076 69.196 -0.120 18167 10575 1 11 . 1 1 155 155 THR H H 173 7.635 7.635 7.728 -0.093 18167 10576 1 11 . 1 1 156 156 VAL N N 174 113.687 113.687 114.093 -0.406 18167 10577 1 11 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.318 -0.041 18167 10578 1 11 . 1 1 156 156 VAL C C 174 176.185 176.185 174.910 1.275 18167 10579 1 11 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.771 1.673 18167 10580 1 11 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.401 2.752 18167 10581 1 11 . 1 1 156 156 VAL H H 174 7.447 7.447 7.799 -0.352 18167 10582 1 11 . 1 1 157 157 LYS N N 175 123.084 123.084 120.777 2.307 18167 10583 1 11 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.551 -0.707 18167 10584 1 11 . 1 1 157 157 LYS C C 175 177.321 177.321 178.073 -0.752 18167 10585 1 11 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.828 0.391 18167 10586 1 11 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.531 -1.336 18167 10587 1 11 . 1 1 157 157 LYS H H 175 7.548 7.548 7.161 0.387 18167 10588 1 11 . 1 1 158 158 SER N N 176 114.046 114.046 114.354 -0.308 18167 10589 1 11 . 1 1 158 158 SER HA H 176 3.820 3.820 4.159 -0.339 18167 10590 1 11 . 1 1 158 158 SER C C 176 176.927 176.927 176.191 0.736 18167 10591 1 11 . 1 1 158 158 SER CA C 176 61.600 61.600 60.481 1.119 18167 10592 1 11 . 1 1 158 158 SER CB C 176 62.048 62.048 62.574 -0.526 18167 10593 1 11 . 1 1 158 158 SER H H 176 8.161 8.161 8.146 0.015 18167 10594 1 11 . 1 1 159 159 LEU N N 177 126.125 126.125 122.378 3.747 18167 10595 1 11 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.749 0.424 18167 10596 1 11 . 1 1 159 159 LEU C C 177 178.403 178.403 177.813 0.590 18167 10597 1 11 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.676 0.026 18167 10598 1 11 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.230 -0.153 18167 10599 1 11 . 1 1 159 159 LEU H H 177 7.587 7.587 6.889 0.698 18167 10600 1 11 . 1 1 160 160 PHE N N 178 119.582 119.582 117.334 2.248 18167 10601 1 11 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.915 0.367 18167 10602 1 11 . 1 1 160 160 PHE C C 178 177.277 177.277 177.708 -0.431 18167 10603 1 11 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.556 -2.846 18167 10604 1 11 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.458 -1.918 18167 10605 1 11 . 1 1 160 160 PHE H H 178 9.067 9.067 6.741 2.326 18167 10606 1 11 . 1 1 161 161 ASP N N 179 120.599 120.599 119.445 1.154 18167 10607 1 11 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.429 -0.089 18167 10608 1 11 . 1 1 161 161 ASP C C 179 179.216 179.216 178.872 0.344 18167 10609 1 11 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.238 0.664 18167 10610 1 11 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.079 0.878 18167 10611 1 11 . 1 1 161 161 ASP H H 179 8.578 8.578 7.629 0.949 18167 10612 1 11 . 1 1 162 162 THR N N 180 118.300 118.300 117.993 0.307 18167 10613 1 11 . 1 1 162 162 THR HA H 180 3.849 3.849 4.029 -0.180 18167 10614 1 11 . 1 1 162 162 THR C C 180 176.875 176.875 176.819 0.056 18167 10615 1 11 . 1 1 162 162 THR CA C 180 66.977 66.977 66.824 0.153 18167 10616 1 11 . 1 1 162 162 THR CB C 180 68.886 68.886 68.705 0.181 18167 10617 1 11 . 1 1 162 162 THR H H 180 7.771 7.771 8.504 -0.733 18167 10618 1 11 . 1 1 163 163 VAL N N 181 123.234 123.234 121.823 1.411 18167 10619 1 11 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.457 0.137 18167 10620 1 11 . 1 1 163 163 VAL C C 181 180.016 180.016 177.625 2.391 18167 10621 1 11 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.913 -0.157 18167 10622 1 11 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.349 0.363 18167 10623 1 11 . 1 1 163 163 VAL H H 181 8.831 8.831 8.323 0.508 18167 10624 1 11 . 1 1 164 164 ALA N N 182 124.654 124.654 121.244 3.410 18167 10625 1 11 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.475 0.787 18167 10626 1 11 . 1 1 164 164 ALA C C 182 180.510 180.510 179.806 0.704 18167 10627 1 11 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.788 1.671 18167 10628 1 11 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.199 -0.636 18167 10629 1 11 . 1 1 164 164 ALA H H 182 9.662 9.662 7.951 1.711 18167 10630 1 11 . 1 1 165 165 SER N N 183 112.325 112.325 113.501 -1.176 18167 10631 1 11 . 1 1 165 165 SER HA H 183 4.173 4.173 4.325 -0.152 18167 10632 1 11 . 1 1 165 165 SER C C 183 173.817 173.817 176.221 -2.404 18167 10633 1 11 . 1 1 165 165 SER CA C 183 61.155 61.155 60.807 0.347 18167 10634 1 11 . 1 1 165 165 SER CB C 183 63.140 63.140 62.856 0.284 18167 10635 1 11 . 1 1 165 165 SER H H 183 7.988 7.988 8.298 -0.310 18167 10636 1 11 . 1 1 166 166 SER N N 184 117.332 117.332 115.880 1.452 18167 10637 1 11 . 1 1 166 166 SER HA H 184 4.356 4.356 4.427 -0.071 18167 10638 1 11 . 1 1 166 166 SER C C 184 174.163 174.163 175.422 -1.259 18167 10639 1 11 . 1 1 166 166 SER CA C 184 59.502 59.502 59.703 -0.201 18167 10640 1 11 . 1 1 166 166 SER CB C 184 63.416 63.416 63.634 -0.218 18167 10641 1 11 . 1 1 166 166 SER H H 184 7.766 7.766 8.279 -0.513 18167 10642 1 11 . 1 1 167 167 PHE N N 185 124.827 124.827 121.314 3.513 18167 10643 1 11 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.927 0.236 18167 10644 1 11 . 1 1 167 167 PHE C C 185 174.545 174.545 175.398 -0.853 18167 10645 1 11 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.288 -0.786 18167 10646 1 11 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.666 -1.276 18167 10647 1 11 . 1 1 167 167 PHE H H 185 7.101 7.101 7.663 -0.562 18167 10648 1 11 . 1 1 168 168 HIS N N 186 127.050 127.050 119.997 7.053 18167 10649 1 11 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.578 0.575 18167 10650 1 11 . 1 1 168 168 HIS C C 186 172.836 172.836 173.318 -0.482 18167 10651 1 11 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.918 -0.762 18167 10652 1 11 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.030 -2.027 18167 10653 1 11 . 1 1 168 168 HIS H H 186 8.645 8.645 8.786 -0.141 18167 10654 1 11 . 1 1 169 169 VAL N N 187 114.268 114.268 118.149 -3.881 18167 10655 1 11 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.302 -0.142 18167 10656 1 11 . 1 1 169 169 VAL C C 187 174.449 174.449 174.359 0.090 18167 10657 1 11 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.109 -0.756 18167 10658 1 11 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.781 -1.372 18167 10659 1 11 . 1 1 169 169 VAL H H 187 7.466 7.466 7.382 0.084 18167 10660 1 12 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.517 -0.045 18167 10661 1 12 . 1 1 2 2 PRO C C 20 177.006 177.006 176.452 0.554 18167 10662 1 12 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.505 0.535 18167 10663 1 12 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.414 -0.350 18167 10664 1 12 . 1 1 3 3 LEU N N 21 122.423 122.423 122.184 0.239 18167 10665 1 12 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.484 -0.143 18167 10666 1 12 . 1 1 3 3 LEU C C 21 177.928 177.928 178.620 -0.692 18167 10667 1 12 . 1 1 3 3 LEU CA C 21 55.318 55.318 54.478 0.840 18167 10668 1 12 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.322 -0.056 18167 10669 1 12 . 1 1 3 3 LEU H H 21 8.551 8.551 8.082 0.469 18167 10670 1 12 . 1 1 4 4 GLY N N 22 109.759 109.759 111.384 -1.625 18167 10671 1 12 . 1 1 4 4 GLY C C 22 174.309 174.309 174.417 -0.108 18167 10672 1 12 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.233 -0.004 18167 10673 1 12 . 1 1 4 4 GLY H H 22 8.423 8.423 8.460 -0.037 18167 10674 1 12 . 1 1 5 5 SER N N 23 115.538 115.538 115.499 0.039 18167 10675 1 12 . 1 1 5 5 SER HA H 23 4.488 4.488 4.636 -0.148 18167 10676 1 12 . 1 1 5 5 SER C C 23 174.841 174.841 173.747 1.094 18167 10677 1 12 . 1 1 5 5 SER CA C 23 58.329 58.329 57.933 0.396 18167 10678 1 12 . 1 1 5 5 SER CB C 23 63.957 63.957 64.822 -0.865 18167 10679 1 12 . 1 1 5 5 SER H H 23 8.233 8.233 8.244 -0.011 18167 10680 1 12 . 1 1 6 6 CYS N N 24 120.699 120.699 124.035 -3.336 18167 10681 1 12 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.561 -0.019 18167 10682 1 12 . 1 1 6 6 CYS C C 24 175.079 175.079 175.705 -0.626 18167 10683 1 12 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.402 -0.685 18167 10684 1 12 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.607 -0.638 18167 10685 1 12 . 1 1 6 6 CYS H H 24 8.493 8.493 8.526 -0.033 18167 10686 1 12 . 1 1 7 7 GLY N N 25 110.895 110.895 113.051 -2.156 18167 10687 1 12 . 1 1 7 7 GLY C C 25 174.402 174.402 174.209 0.193 18167 10688 1 12 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.568 0.910 18167 10689 1 12 . 1 1 7 7 GLY H H 25 8.449 8.449 8.367 0.082 18167 10690 1 12 . 1 1 8 8 GLY N N 26 108.733 108.733 107.026 1.707 18167 10691 1 12 . 1 1 8 8 GLY C C 26 174.113 174.113 174.144 -0.031 18167 10692 1 12 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.728 0.452 18167 10693 1 12 . 1 1 8 8 GLY H H 26 8.236 8.236 8.176 0.060 18167 10694 1 12 . 1 1 9 9 VAL N N 27 118.903 118.903 120.550 -1.647 18167 10695 1 12 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.144 -0.020 18167 10696 1 12 . 1 1 9 9 VAL C C 27 176.630 176.630 176.048 0.582 18167 10697 1 12 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.051 0.334 18167 10698 1 12 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.549 -1.028 18167 10699 1 12 . 1 1 9 9 VAL H H 27 8.019 8.019 8.138 -0.119 18167 10700 1 12 . 1 1 10 10 GLY N N 28 112.317 112.317 113.520 -1.203 18167 10701 1 12 . 1 1 10 10 GLY C C 28 174.378 174.378 175.373 -0.995 18167 10702 1 12 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.557 0.789 18167 10703 1 12 . 1 1 10 10 GLY H H 28 8.483 8.483 8.416 0.067 18167 10704 1 12 . 1 1 11 11 ILE N N 29 119.788 119.788 123.048 -3.260 18167 10705 1 12 . 1 1 11 11 ILE HA H 29 4.081 4.081 3.838 0.243 18167 10706 1 12 . 1 1 11 11 ILE C C 29 176.168 176.168 176.572 -0.404 18167 10707 1 12 . 1 1 11 11 ILE CA C 29 61.412 61.412 62.937 -1.525 18167 10708 1 12 . 1 1 11 11 ILE CB C 29 38.557 38.557 38.005 0.552 18167 10709 1 12 . 1 1 11 11 ILE H H 29 7.948 7.948 8.224 -0.276 18167 10710 1 12 . 1 1 12 12 ALA N N 30 126.009 126.009 122.618 3.391 18167 10711 1 12 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.482 -0.194 18167 10712 1 12 . 1 1 12 12 ALA C C 30 177.504 177.504 176.104 1.400 18167 10713 1 12 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.145 0.720 18167 10714 1 12 . 1 1 12 12 ALA CB C 30 18.966 18.966 19.198 -0.232 18167 10715 1 12 . 1 1 12 12 ALA H H 30 8.247 8.247 7.699 0.548 18167 10716 1 12 . 1 1 13 13 SER N N 31 113.949 113.949 116.534 -2.585 18167 10717 1 12 . 1 1 13 13 SER HA H 31 4.392 4.392 4.452 -0.060 18167 10718 1 12 . 1 1 13 13 SER C C 31 173.644 173.644 172.003 1.641 18167 10719 1 12 . 1 1 13 13 SER CA C 31 58.329 58.329 58.973 -0.644 18167 10720 1 12 . 1 1 13 13 SER CB C 31 63.609 63.609 63.232 0.377 18167 10721 1 12 . 1 1 13 13 SER H H 31 8.045 8.045 8.628 -0.583 18167 10722 1 12 . 1 1 14 14 LEU N N 32 122.240 122.240 121.558 0.682 18167 10723 1 12 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.413 0.132 18167 10724 1 12 . 1 1 14 14 LEU C C 32 176.001 176.001 175.811 0.190 18167 10725 1 12 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.456 -0.579 18167 10726 1 12 . 1 1 14 14 LEU CB C 32 44.245 44.245 44.506 -0.261 18167 10727 1 12 . 1 1 14 14 LEU H H 32 7.749 7.749 7.728 0.021 18167 10728 1 12 . 1 1 15 15 GLN N N 33 120.685 120.685 121.775 -1.090 18167 10729 1 12 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.663 -0.281 18167 10730 1 12 . 1 1 15 15 GLN C C 33 172.944 172.944 173.409 -0.465 18167 10731 1 12 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.963 -0.502 18167 10732 1 12 . 1 1 15 15 GLN CB C 33 30.743 30.743 32.908 -2.166 18167 10733 1 12 . 1 1 15 15 GLN H H 33 8.780 8.780 8.169 0.611 18167 10734 1 12 . 1 1 16 16 ARG N N 34 120.341 120.341 119.236 1.105 18167 10735 1 12 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.700 0.204 18167 10736 1 12 . 1 1 16 16 ARG C C 34 175.846 175.846 174.666 1.180 18167 10737 1 12 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.912 0.789 18167 10738 1 12 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.901 -0.159 18167 10739 1 12 . 1 1 16 16 ARG H H 34 8.274 8.274 8.373 -0.099 18167 10740 1 12 . 1 1 17 17 TYR N N 35 128.733 128.733 123.800 4.933 18167 10741 1 12 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.763 -0.205 18167 10742 1 12 . 1 1 17 17 TYR C C 35 173.307 173.307 173.120 0.187 18167 10743 1 12 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.879 -0.145 18167 10744 1 12 . 1 1 17 17 TYR CB C 35 41.583 41.583 42.088 -0.505 18167 10745 1 12 . 1 1 17 17 TYR H H 35 9.104 9.104 8.324 0.780 18167 10746 1 12 . 1 1 18 18 SER N N 36 119.150 119.150 120.279 -1.129 18167 10747 1 12 . 1 1 18 18 SER HA H 36 4.786 4.786 4.948 -0.162 18167 10748 1 12 . 1 1 18 18 SER C C 36 172.002 172.002 172.479 -0.477 18167 10749 1 12 . 1 1 18 18 SER CA C 36 56.341 56.341 56.306 0.035 18167 10750 1 12 . 1 1 18 18 SER CB C 36 65.327 65.327 66.697 -1.370 18167 10751 1 12 . 1 1 18 18 SER H H 36 7.398 7.398 7.727 -0.329 18167 10752 1 12 . 1 1 19 19 ASP N N 37 124.935 124.935 120.697 4.238 18167 10753 1 12 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.961 -0.290 18167 10754 1 12 . 1 1 19 19 ASP C C 37 176.089 176.089 176.924 -0.835 18167 10755 1 12 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.306 -0.497 18167 10756 1 12 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.964 -1.499 18167 10757 1 12 . 1 1 19 19 ASP H H 37 8.607 8.607 8.321 0.286 18167 10758 1 12 . 1 1 20 20 THR N N 38 117.032 117.032 115.619 1.413 18167 10759 1 12 . 1 1 20 20 THR HA H 38 4.316 4.316 4.009 0.307 18167 10760 1 12 . 1 1 20 20 THR C C 38 175.794 175.794 175.815 -0.021 18167 10761 1 12 . 1 1 20 20 THR CA C 38 63.123 63.123 64.300 -1.177 18167 10762 1 12 . 1 1 20 20 THR CB C 38 68.905 68.905 69.124 -0.219 18167 10763 1 12 . 1 1 20 20 THR H H 38 8.470 8.470 8.527 -0.057 18167 10764 1 12 . 1 1 21 21 LYS N N 39 124.893 124.893 120.709 4.184 18167 10765 1 12 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.037 0.152 18167 10766 1 12 . 1 1 21 21 LYS C C 39 177.678 177.678 178.466 -0.788 18167 10767 1 12 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.219 -0.424 18167 10768 1 12 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.637 -0.969 18167 10769 1 12 . 1 1 21 21 LYS H H 39 8.201 8.201 7.833 0.368 18167 10770 1 12 . 1 1 22 22 ASP N N 40 118.183 118.183 115.531 2.652 18167 10771 1 12 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.524 0.297 18167 10772 1 12 . 1 1 22 22 ASP C C 40 176.752 176.752 177.175 -0.423 18167 10773 1 12 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.258 0.621 18167 10774 1 12 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.620 1.249 18167 10775 1 12 . 1 1 22 22 ASP H H 40 8.480 8.480 8.333 0.147 18167 10776 1 12 . 1 1 23 23 GLY N N 41 108.978 108.978 108.346 0.632 18167 10777 1 12 . 1 1 23 23 GLY C C 41 172.396 172.396 173.477 -1.081 18167 10778 1 12 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.735 1.381 18167 10779 1 12 . 1 1 23 23 GLY H H 41 7.421 7.421 8.222 -0.801 18167 10780 1 12 . 1 1 24 24 TYR N N 42 112.046 112.046 116.427 -4.381 18167 10781 1 12 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.854 -0.460 18167 10782 1 12 . 1 1 24 24 TYR C C 42 173.028 173.028 173.078 -0.050 18167 10783 1 12 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.233 1.599 18167 10784 1 12 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.719 0.135 18167 10785 1 12 . 1 1 24 24 TYR H H 42 7.506 7.506 7.830 -0.324 18167 10786 1 12 . 1 1 25 25 GLU N N 43 117.470 117.470 120.113 -2.643 18167 10787 1 12 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.051 0.417 18167 10788 1 12 . 1 1 25 25 GLU C C 43 173.311 173.311 174.443 -1.132 18167 10789 1 12 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.290 -1.059 18167 10790 1 12 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.490 0.135 18167 10791 1 12 . 1 1 25 25 GLU H H 43 8.934 8.934 8.908 0.026 18167 10792 1 12 . 1 1 26 26 PHE N N 44 112.795 112.795 116.429 -3.634 18167 10793 1 12 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.231 -0.389 18167 10794 1 12 . 1 1 26 26 PHE C C 44 172.776 172.776 173.226 -0.450 18167 10795 1 12 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.654 -0.038 18167 10796 1 12 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.930 -1.481 18167 10797 1 12 . 1 1 26 26 PHE H H 44 8.532 8.532 8.364 0.168 18167 10798 1 12 . 1 1 27 27 LEU N N 45 119.784 119.784 121.603 -1.819 18167 10799 1 12 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.973 0.547 18167 10800 1 12 . 1 1 27 27 LEU C C 45 174.965 174.965 176.285 -1.320 18167 10801 1 12 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.081 -1.307 18167 10802 1 12 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.680 0.970 18167 10803 1 12 . 1 1 27 27 LEU H H 45 9.241 9.241 8.951 0.290 18167 10804 1 12 . 1 1 28 28 TYR N N 46 113.008 113.008 118.275 -5.267 18167 10805 1 12 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.924 -0.011 18167 10806 1 12 . 1 1 28 28 TYR C C 46 171.354 171.354 172.086 -0.732 18167 10807 1 12 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.663 0.094 18167 10808 1 12 . 1 1 28 28 TYR CB C 46 38.147 38.147 39.103 -0.957 18167 10809 1 12 . 1 1 28 28 TYR H H 46 8.951 8.951 8.389 0.562 18167 10810 1 12 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.287 -0.280 18167 10811 1 12 . 1 1 29 29 PRO C C 47 176.165 176.165 176.295 -0.130 18167 10812 1 12 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.044 1.274 18167 10813 1 12 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.300 -0.960 18167 10814 1 12 . 1 1 30 30 ASN N N 48 119.923 119.923 119.404 0.519 18167 10815 1 12 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.298 -0.035 18167 10816 1 12 . 1 1 30 30 ASN C C 48 176.347 176.347 176.673 -0.326 18167 10817 1 12 . 1 1 30 30 ASN CA C 48 55.201 55.201 54.159 1.042 18167 10818 1 12 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.618 -0.030 18167 10819 1 12 . 1 1 30 30 ASN H H 48 8.163 8.163 8.463 -0.300 18167 10820 1 12 . 1 1 31 31 GLY N N 49 111.442 111.442 109.069 2.373 18167 10821 1 12 . 1 1 31 31 GLY C C 49 174.985 174.985 174.283 0.702 18167 10822 1 12 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.312 0.079 18167 10823 1 12 . 1 1 31 31 GLY H H 49 8.702 8.702 8.606 0.096 18167 10824 1 12 . 1 1 32 32 TRP N N 50 122.100 122.100 120.318 1.782 18167 10825 1 12 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.110 0.232 18167 10826 1 12 . 1 1 32 32 TRP C C 50 176.370 176.370 177.302 -0.932 18167 10827 1 12 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.287 1.006 18167 10828 1 12 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.204 -0.100 18167 10829 1 12 . 1 1 32 32 TRP H H 50 8.008 8.008 7.570 0.438 18167 10830 1 12 . 1 1 33 33 ILE N N 51 117.163 117.163 119.213 -2.050 18167 10831 1 12 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.799 0.156 18167 10832 1 12 . 1 1 33 33 ILE C C 51 175.549 175.549 174.474 1.075 18167 10833 1 12 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.754 -0.526 18167 10834 1 12 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.302 0.787 18167 10835 1 12 . 1 1 33 33 ILE H H 51 9.249 9.249 8.378 0.871 18167 10836 1 12 . 1 1 34 34 GLY N N 52 111.812 111.812 109.879 1.933 18167 10837 1 12 . 1 1 34 34 GLY C C 52 173.956 173.956 173.809 0.147 18167 10838 1 12 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.636 1.768 18167 10839 1 12 . 1 1 34 34 GLY H H 52 8.787 8.787 8.148 0.639 18167 10840 1 12 . 1 1 35 35 VAL N N 53 122.174 122.174 119.627 2.547 18167 10841 1 12 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.534 -0.390 18167 10842 1 12 . 1 1 35 35 VAL C C 53 174.921 174.921 174.650 0.271 18167 10843 1 12 . 1 1 35 35 VAL CA C 53 60.657 60.657 59.629 1.028 18167 10844 1 12 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.747 -0.707 18167 10845 1 12 . 1 1 35 35 VAL H H 53 7.763 7.763 8.227 -0.464 18167 10846 1 12 . 1 1 36 36 ASP N N 54 125.424 125.424 124.144 1.280 18167 10847 1 12 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.731 -0.142 18167 10848 1 12 . 1 1 36 36 ASP C C 54 176.890 176.890 176.281 0.609 18167 10849 1 12 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.767 -0.317 18167 10850 1 12 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.162 0.011 18167 10851 1 12 . 1 1 36 36 ASP H H 54 8.425 8.425 8.458 -0.033 18167 10852 1 12 . 1 1 37 37 VAL N N 55 120.335 120.335 118.659 1.676 18167 10853 1 12 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.449 -0.281 18167 10854 1 12 . 1 1 37 37 VAL C C 55 176.785 176.785 175.680 1.105 18167 10855 1 12 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.180 0.739 18167 10856 1 12 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.352 -0.562 18167 10857 1 12 . 1 1 37 37 VAL H H 55 8.215 8.215 8.376 -0.161 18167 10858 1 12 . 1 1 38 38 LYS N N 56 124.881 124.881 123.086 1.795 18167 10859 1 12 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.244 -0.042 18167 10860 1 12 . 1 1 38 38 LYS C C 56 177.828 177.828 177.830 -0.002 18167 10861 1 12 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.799 0.204 18167 10862 1 12 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.382 -0.745 18167 10863 1 12 . 1 1 38 38 LYS H H 56 8.331 8.331 8.244 0.087 18167 10864 1 12 . 1 1 39 39 GLY N N 57 111.152 111.152 111.331 -0.179 18167 10865 1 12 . 1 1 39 39 GLY C C 57 174.253 174.253 174.170 0.083 18167 10866 1 12 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.621 0.739 18167 10867 1 12 . 1 1 39 39 GLY H H 57 8.651 8.651 8.852 -0.201 18167 10868 1 12 . 1 1 40 40 ALA N N 58 123.085 123.085 122.736 0.349 18167 10869 1 12 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.458 -0.075 18167 10870 1 12 . 1 1 40 40 ALA C C 58 177.125 177.125 177.082 0.043 18167 10871 1 12 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.426 0.928 18167 10872 1 12 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.675 -0.058 18167 10873 1 12 . 1 1 40 40 ALA H H 58 7.839 7.839 7.569 0.270 18167 10874 1 12 . 1 1 41 41 SER N N 59 115.088 115.088 115.261 -0.173 18167 10875 1 12 . 1 1 41 41 SER HA H 59 4.688 4.688 4.385 0.303 18167 10876 1 12 . 1 1 41 41 SER C C 59 171.885 171.885 173.280 -1.395 18167 10877 1 12 . 1 1 41 41 SER CA C 59 56.951 56.951 58.233 -1.282 18167 10878 1 12 . 1 1 41 41 SER CB C 59 63.123 63.123 63.135 -0.012 18167 10879 1 12 . 1 1 41 41 SER H H 59 8.186 8.186 8.263 -0.077 18167 10880 1 12 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.400 -0.051 18167 10881 1 12 . 1 1 42 42 PRO C C 60 177.660 177.660 177.308 0.352 18167 10882 1 12 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.844 0.381 18167 10883 1 12 . 1 1 42 42 PRO CB C 60 31.541 31.541 32.035 -0.494 18167 10884 1 12 . 1 1 43 43 GLY N N 61 111.997 111.997 111.567 0.430 18167 10885 1 12 . 1 1 43 43 GLY C C 61 174.070 174.070 174.308 -0.238 18167 10886 1 12 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.942 0.672 18167 10887 1 12 . 1 1 43 43 GLY H H 61 8.730 8.730 8.450 0.280 18167 10888 1 12 . 1 1 44 44 VAL N N 62 120.539 120.539 121.935 -1.396 18167 10889 1 12 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.853 0.424 18167 10890 1 12 . 1 1 44 44 VAL C C 62 175.277 175.277 175.143 0.134 18167 10891 1 12 . 1 1 44 44 VAL CA C 62 62.927 62.927 63.739 -0.812 18167 10892 1 12 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.905 0.650 18167 10893 1 12 . 1 1 44 44 VAL H H 62 7.573 7.573 7.416 0.157 18167 10894 1 12 . 1 1 45 45 ASP N N 63 128.619 128.619 126.943 1.676 18167 10895 1 12 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.783 0.124 18167 10896 1 12 . 1 1 45 45 ASP C C 63 176.177 176.177 175.393 0.784 18167 10897 1 12 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.609 1.246 18167 10898 1 12 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.898 0.377 18167 10899 1 12 . 1 1 45 45 ASP H H 63 9.084 9.084 8.538 0.546 18167 10900 1 12 . 1 1 46 46 VAL N N 64 115.687 115.687 117.705 -2.018 18167 10901 1 12 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.403 -0.093 18167 10902 1 12 . 1 1 46 46 VAL C C 64 172.853 172.853 173.894 -1.041 18167 10903 1 12 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.559 0.612 18167 10904 1 12 . 1 1 46 46 VAL CB C 64 35.908 35.908 36.053 -0.145 18167 10905 1 12 . 1 1 46 46 VAL H H 64 7.314 7.314 7.454 -0.140 18167 10906 1 12 . 1 1 47 47 VAL N N 65 124.933 124.933 122.921 2.012 18167 10907 1 12 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.584 0.472 18167 10908 1 12 . 1 1 47 47 VAL C C 65 175.266 175.266 174.410 0.856 18167 10909 1 12 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.350 -0.268 18167 10910 1 12 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.300 2.367 18167 10911 1 12 . 1 1 47 47 VAL H H 65 8.146 8.146 7.987 0.159 18167 10912 1 12 . 1 1 48 48 PHE N N 66 122.916 122.916 125.676 -2.760 18167 10913 1 12 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.556 -0.065 18167 10914 1 12 . 1 1 48 48 PHE C C 66 174.371 174.371 174.752 -0.381 18167 10915 1 12 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.145 0.384 18167 10916 1 12 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.669 1.490 18167 10917 1 12 . 1 1 48 48 PHE H H 66 8.469 8.469 9.220 -0.751 18167 10918 1 12 . 1 1 49 49 ARG N N 67 116.381 116.381 118.856 -2.475 18167 10919 1 12 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.655 -0.150 18167 10920 1 12 . 1 1 49 49 ARG C C 67 173.455 173.455 174.038 -0.583 18167 10921 1 12 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.631 -0.797 18167 10922 1 12 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.052 0.846 18167 10923 1 12 . 1 1 49 49 ARG H H 67 9.271 9.271 8.654 0.617 18167 10924 1 12 . 1 1 50 50 ASP N N 68 121.066 121.066 122.551 -1.485 18167 10925 1 12 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.991 -0.940 18167 10926 1 12 . 1 1 50 50 ASP C C 68 176.670 176.670 176.618 0.052 18167 10927 1 12 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.889 1.727 18167 10928 1 12 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.982 0.919 18167 10929 1 12 . 1 1 50 50 ASP H H 68 7.165 7.165 7.833 -0.668 18167 10930 1 12 . 1 1 51 51 LEU N N 69 124.078 124.078 123.737 0.341 18167 10931 1 12 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.047 -0.022 18167 10932 1 12 . 1 1 51 51 LEU C C 69 177.463 177.463 178.424 -0.961 18167 10933 1 12 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.507 -0.099 18167 10934 1 12 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.045 1.104 18167 10935 1 12 . 1 1 51 51 LEU H H 69 8.314 8.314 8.707 -0.393 18167 10936 1 12 . 1 1 52 52 ILE N N 70 118.341 118.341 116.649 1.692 18167 10937 1 12 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.922 0.151 18167 10938 1 12 . 1 1 52 52 ILE C C 70 177.093 177.093 175.992 1.101 18167 10939 1 12 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.760 -1.902 18167 10940 1 12 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.278 0.342 18167 10941 1 12 . 1 1 52 52 ILE H H 70 8.178 8.178 7.978 0.200 18167 10942 1 12 . 1 1 53 53 GLU N N 71 122.254 122.254 116.963 5.291 18167 10943 1 12 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.508 -0.124 18167 10944 1 12 . 1 1 53 53 GLU C C 71 176.084 176.084 175.891 0.193 18167 10945 1 12 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.319 -0.511 18167 10946 1 12 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.404 -0.646 18167 10947 1 12 . 1 1 53 53 GLU H H 71 8.974 8.974 8.081 0.893 18167 10948 1 12 . 1 1 54 54 ARG N N 72 121.414 121.414 122.638 -1.224 18167 10949 1 12 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.147 -0.165 18167 10950 1 12 . 1 1 54 54 ARG C C 72 176.478 176.478 177.065 -0.587 18167 10951 1 12 . 1 1 54 54 ARG CA C 72 58.240 58.240 59.017 -0.777 18167 10952 1 12 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.384 -0.419 18167 10953 1 12 . 1 1 54 54 ARG H H 72 8.052 8.052 8.690 -0.638 18167 10954 1 12 . 1 1 55 55 ASP N N 73 117.425 117.425 114.950 2.475 18167 10955 1 12 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.433 0.018 18167 10956 1 12 . 1 1 55 55 ASP C C 73 173.783 173.783 176.196 -2.413 18167 10957 1 12 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.476 -0.402 18167 10958 1 12 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.353 0.389 18167 10959 1 12 . 1 1 55 55 ASP H H 73 8.455 8.455 8.469 -0.014 18167 10960 1 12 . 1 1 56 56 GLU N N 74 124.050 124.050 121.606 2.444 18167 10961 1 12 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.603 0.896 18167 10962 1 12 . 1 1 56 56 GLU C C 74 174.110 174.110 175.085 -0.975 18167 10963 1 12 . 1 1 56 56 GLU CA C 74 56.478 56.478 55.921 0.557 18167 10964 1 12 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.151 2.295 18167 10965 1 12 . 1 1 56 56 GLU H H 74 7.773 7.773 7.378 0.395 18167 10966 1 12 . 1 1 57 57 ASN N N 75 119.794 119.794 120.356 -0.562 18167 10967 1 12 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.700 0.063 18167 10968 1 12 . 1 1 57 57 ASN C C 75 171.893 171.893 172.644 -0.751 18167 10969 1 12 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.939 0.024 18167 10970 1 12 . 1 1 57 57 ASN CB C 75 42.369 42.369 41.051 1.317 18167 10971 1 12 . 1 1 57 57 ASN H H 75 8.891 8.891 8.520 0.371 18167 10972 1 12 . 1 1 58 58 LEU N N 76 116.438 116.438 114.001 2.437 18167 10973 1 12 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.177 0.164 18167 10974 1 12 . 1 1 58 58 LEU C C 76 174.630 174.630 174.540 0.090 18167 10975 1 12 . 1 1 58 58 LEU CA C 76 52.828 52.828 54.864 -2.037 18167 10976 1 12 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.516 0.363 18167 10977 1 12 . 1 1 58 58 LEU H H 76 9.166 9.166 8.410 0.756 18167 10978 1 12 . 1 1 59 59 SER N N 77 114.543 114.543 115.439 -0.896 18167 10979 1 12 . 1 1 59 59 SER HA H 77 5.432 5.432 5.161 0.271 18167 10980 1 12 . 1 1 59 59 SER C C 77 172.602 172.602 172.883 -0.281 18167 10981 1 12 . 1 1 59 59 SER CA C 77 56.593 56.593 57.499 -0.906 18167 10982 1 12 . 1 1 59 59 SER CB C 77 66.720 66.720 66.772 -0.052 18167 10983 1 12 . 1 1 59 59 SER H H 77 8.352 8.352 8.806 -0.454 18167 10984 1 12 . 1 1 60 60 VAL N N 78 122.017 122.017 118.856 3.161 18167 10985 1 12 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.812 0.157 18167 10986 1 12 . 1 1 60 60 VAL C C 78 174.861 174.861 174.140 0.721 18167 10987 1 12 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.109 1.075 18167 10988 1 12 . 1 1 60 60 VAL CB C 78 33.312 33.312 32.854 0.458 18167 10989 1 12 . 1 1 60 60 VAL H H 78 8.306 8.306 8.661 -0.355 18167 10990 1 12 . 1 1 61 61 ILE N N 79 128.458 128.458 126.644 1.814 18167 10991 1 12 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.749 -0.028 18167 10992 1 12 . 1 1 61 61 ILE C C 79 175.639 175.639 174.755 0.884 18167 10993 1 12 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.421 -0.177 18167 10994 1 12 . 1 1 61 61 ILE CB C 79 41.286 41.286 39.928 1.358 18167 10995 1 12 . 1 1 61 61 ILE H H 79 9.193 9.193 7.738 1.455 18167 10996 1 12 . 1 1 62 62 ILE N N 80 129.957 129.957 127.961 1.996 18167 10997 1 12 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.052 -0.010 18167 10998 1 12 . 1 1 62 62 ILE C C 80 175.727 175.727 175.151 0.576 18167 10999 1 12 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.769 0.389 18167 11000 1 12 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.133 -0.356 18167 11001 1 12 . 1 1 62 62 ILE H H 80 9.140 9.140 9.180 -0.040 18167 11002 1 12 . 1 1 63 63 SER N N 81 122.084 122.084 121.530 0.554 18167 11003 1 12 . 1 1 63 63 SER HA H 81 4.878 4.878 4.830 0.048 18167 11004 1 12 . 1 1 63 63 SER C C 81 172.933 172.933 172.272 0.661 18167 11005 1 12 . 1 1 63 63 SER CA C 81 56.689 56.689 57.050 -0.361 18167 11006 1 12 . 1 1 63 63 SER CB C 81 65.862 65.862 66.472 -0.611 18167 11007 1 12 . 1 1 63 63 SER H H 81 9.079 9.079 8.701 0.378 18167 11008 1 12 . 1 1 64 64 GLU N N 82 121.983 121.983 121.739 0.244 18167 11009 1 12 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.689 -0.097 18167 11010 1 12 . 1 1 64 64 GLU C C 82 176.501 176.501 175.931 0.570 18167 11011 1 12 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.987 1.854 18167 11012 1 12 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.243 -0.733 18167 11013 1 12 . 1 1 64 64 GLU H H 82 8.664 8.664 8.507 0.157 18167 11014 1 12 . 1 1 65 65 ILE N N 83 121.194 121.194 119.440 1.754 18167 11015 1 12 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.626 -0.049 18167 11016 1 12 . 1 1 65 65 ILE C C 83 173.233 173.233 174.303 -1.070 18167 11017 1 12 . 1 1 65 65 ILE CA C 83 58.798 58.798 57.940 0.858 18167 11018 1 12 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.819 1.669 18167 11019 1 12 . 1 1 65 65 ILE H H 83 8.271 8.271 8.146 0.125 18167 11020 1 12 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.514 -0.063 18167 11021 1 12 . 1 1 66 66 PRO C C 84 177.697 177.697 177.548 0.149 18167 11022 1 12 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.742 0.455 18167 11023 1 12 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.512 -0.447 18167 11024 1 12 . 1 1 67 67 SER N N 85 116.018 116.018 118.068 -2.050 18167 11025 1 12 . 1 1 67 67 SER HA H 85 4.149 4.149 4.171 -0.022 18167 11026 1 12 . 1 1 67 67 SER C C 85 174.387 174.387 175.150 -0.763 18167 11027 1 12 . 1 1 67 67 SER CA C 85 60.348 60.348 60.304 0.044 18167 11028 1 12 . 1 1 67 67 SER CB C 85 63.402 63.402 63.153 0.249 18167 11029 1 12 . 1 1 67 67 SER H H 85 8.465 8.465 8.635 -0.170 18167 11030 1 12 . 1 1 68 68 ASP N N 86 118.568 118.568 118.760 -0.192 18167 11031 1 12 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.581 -0.023 18167 11032 1 12 . 1 1 68 68 ASP C C 86 175.732 175.732 176.075 -0.343 18167 11033 1 12 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.296 -1.486 18167 11034 1 12 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.903 -0.685 18167 11035 1 12 . 1 1 68 68 ASP H H 86 8.531 8.531 8.465 0.066 18167 11036 1 12 . 1 1 69 69 LYS N N 87 119.225 119.225 117.141 2.084 18167 11037 1 12 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.800 -0.118 18167 11038 1 12 . 1 1 69 69 LYS C C 87 175.814 175.814 174.798 1.016 18167 11039 1 12 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.138 -0.277 18167 11040 1 12 . 1 1 69 69 LYS CB C 87 33.706 33.706 36.090 -2.384 18167 11041 1 12 . 1 1 69 69 LYS H H 87 7.653 7.653 7.529 0.124 18167 11042 1 12 . 1 1 70 70 THR N N 88 113.175 113.175 113.860 -0.685 18167 11043 1 12 . 1 1 70 70 THR HA H 88 4.529 4.529 4.587 -0.058 18167 11044 1 12 . 1 1 70 70 THR C C 88 175.278 175.278 175.428 -0.150 18167 11045 1 12 . 1 1 70 70 THR CA C 88 60.699 60.699 59.157 1.542 18167 11046 1 12 . 1 1 70 70 THR CB C 88 70.710 70.710 71.148 -0.438 18167 11047 1 12 . 1 1 70 70 THR H H 88 8.608 8.608 7.788 0.820 18167 11048 1 12 . 1 1 71 71 LEU N N 89 121.978 121.978 122.649 -0.671 18167 11049 1 12 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.894 0.043 18167 11050 1 12 . 1 1 71 71 LEU C C 89 177.698 177.698 177.832 -0.134 18167 11051 1 12 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.467 -0.703 18167 11052 1 12 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.746 0.749 18167 11053 1 12 . 1 1 71 71 LEU H H 89 7.998 7.998 8.925 -0.927 18167 11054 1 12 . 1 1 72 72 THR N N 90 106.680 106.680 108.914 -2.234 18167 11055 1 12 . 1 1 72 72 THR HA H 90 4.221 4.221 4.069 0.152 18167 11056 1 12 . 1 1 72 72 THR C C 90 176.248 176.248 175.100 1.148 18167 11057 1 12 . 1 1 72 72 THR CA C 90 63.648 63.648 65.042 -1.394 18167 11058 1 12 . 1 1 72 72 THR CB C 90 68.620 68.620 68.520 0.100 18167 11059 1 12 . 1 1 72 72 THR H H 90 7.798 7.798 7.919 -0.121 18167 11060 1 12 . 1 1 73 73 ASP N N 91 120.626 120.626 119.727 0.899 18167 11061 1 12 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.511 0.099 18167 11062 1 12 . 1 1 73 73 ASP C C 91 177.133 177.133 178.032 -0.899 18167 11063 1 12 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.852 -0.251 18167 11064 1 12 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.652 1.021 18167 11065 1 12 . 1 1 73 73 ASP H H 91 7.805 7.805 7.944 -0.139 18167 11066 1 12 . 1 1 74 74 LEU N N 92 120.238 120.238 119.794 0.444 18167 11067 1 12 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.009 0.212 18167 11068 1 12 . 1 1 74 74 LEU C C 92 176.907 176.907 176.472 0.435 18167 11069 1 12 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.508 -0.865 18167 11070 1 12 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.817 -1.493 18167 11071 1 12 . 1 1 74 74 LEU H H 92 8.182 8.182 8.094 0.088 18167 11072 1 12 . 1 1 75 75 GLY N N 93 105.772 105.772 100.617 5.155 18167 11073 1 12 . 1 1 75 75 GLY C C 93 173.853 173.853 172.142 1.711 18167 11074 1 12 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.755 -0.727 18167 11075 1 12 . 1 1 75 75 GLY H H 93 7.713 7.713 7.418 0.295 18167 11076 1 12 . 1 1 76 76 THR N N 94 111.354 111.354 109.857 1.497 18167 11077 1 12 . 1 1 76 76 THR HA H 94 4.426 4.426 4.797 -0.371 18167 11078 1 12 . 1 1 76 76 THR C C 94 174.396 174.396 176.034 -1.638 18167 11079 1 12 . 1 1 76 76 THR CA C 94 61.220 61.220 60.633 0.587 18167 11080 1 12 . 1 1 76 76 THR CB C 94 71.400 71.400 71.867 -0.467 18167 11081 1 12 . 1 1 76 76 THR H H 94 8.842 8.842 8.210 0.632 18167 11082 1 12 . 1 1 77 77 ALA N N 95 122.586 122.586 123.441 -0.855 18167 11083 1 12 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.868 -0.542 18167 11084 1 12 . 1 1 77 77 ALA C C 95 179.120 179.120 179.567 -0.447 18167 11085 1 12 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.641 -0.017 18167 11086 1 12 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.735 -0.756 18167 11087 1 12 . 1 1 77 77 ALA H H 95 8.861 8.861 8.883 -0.022 18167 11088 1 12 . 1 1 78 78 THR N N 96 110.298 110.298 114.548 -4.250 18167 11089 1 12 . 1 1 78 78 THR HA H 96 3.479 3.479 3.991 -0.512 18167 11090 1 12 . 1 1 78 78 THR C C 96 175.297 175.297 176.747 -1.450 18167 11091 1 12 . 1 1 78 78 THR CA C 96 66.314 66.314 66.746 -0.432 18167 11092 1 12 . 1 1 78 78 THR CB C 96 68.335 68.335 68.456 -0.121 18167 11093 1 12 . 1 1 78 78 THR H H 96 7.757 7.757 7.723 0.034 18167 11094 1 12 . 1 1 79 79 ASP N N 97 122.829 122.829 122.558 0.271 18167 11095 1 12 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.615 -0.203 18167 11096 1 12 . 1 1 79 79 ASP C C 97 179.693 179.693 178.723 0.970 18167 11097 1 12 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.349 0.645 18167 11098 1 12 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.743 -0.212 18167 11099 1 12 . 1 1 79 79 ASP H H 97 7.448 7.448 8.092 -0.644 18167 11100 1 12 . 1 1 80 80 VAL N N 98 121.175 121.175 119.705 1.470 18167 11101 1 12 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.739 -0.257 18167 11102 1 12 . 1 1 80 80 VAL C C 98 178.667 178.667 178.073 0.594 18167 11103 1 12 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.899 -0.342 18167 11104 1 12 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.570 -0.062 18167 11105 1 12 . 1 1 80 80 VAL H H 98 8.390 8.390 8.800 -0.410 18167 11106 1 12 . 1 1 81 81 GLY N N 99 108.920 108.920 108.160 0.760 18167 11107 1 12 . 1 1 81 81 GLY C C 99 175.133 175.133 176.184 -1.051 18167 11108 1 12 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.454 1.596 18167 11109 1 12 . 1 1 81 81 GLY H H 99 8.630 8.630 7.955 0.675 18167 11110 1 12 . 1 1 82 82 TYR N N 100 121.598 121.598 121.990 -0.392 18167 11111 1 12 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.319 0.009 18167 11112 1 12 . 1 1 82 82 TYR C C 100 179.383 179.383 178.433 0.950 18167 11113 1 12 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.373 0.366 18167 11114 1 12 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.178 -1.079 18167 11115 1 12 . 1 1 82 82 TYR H H 100 8.880 8.880 7.839 1.041 18167 11116 1 12 . 1 1 83 83 ARG N N 101 121.436 121.436 119.594 1.842 18167 11117 1 12 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.985 0.102 18167 11118 1 12 . 1 1 83 83 ARG C C 101 178.906 178.906 178.755 0.151 18167 11119 1 12 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.834 -0.287 18167 11120 1 12 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.071 -0.448 18167 11121 1 12 . 1 1 83 83 ARG H H 101 8.102 8.102 8.387 -0.285 18167 11122 1 12 . 1 1 84 84 PHE N N 102 121.581 121.581 121.982 -0.401 18167 11123 1 12 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.246 0.141 18167 11124 1 12 . 1 1 84 84 PHE C C 102 177.731 177.731 177.101 0.630 18167 11125 1 12 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.123 -1.117 18167 11126 1 12 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.148 -0.907 18167 11127 1 12 . 1 1 84 84 PHE H H 102 8.511 8.511 8.745 -0.234 18167 11128 1 12 . 1 1 85 85 MET N N 103 117.909 117.909 118.049 -0.140 18167 11129 1 12 . 1 1 85 85 MET HA H 103 3.850 3.850 3.840 0.010 18167 11130 1 12 . 1 1 85 85 MET C C 103 178.063 178.063 178.338 -0.275 18167 11131 1 12 . 1 1 85 85 MET CA C 103 57.352 57.352 57.521 -0.169 18167 11132 1 12 . 1 1 85 85 MET CB C 103 33.654 33.654 31.201 2.453 18167 11133 1 12 . 1 1 85 85 MET H H 103 8.350 8.350 7.679 0.671 18167 11134 1 12 . 1 1 86 86 LYS N N 104 118.874 118.874 120.232 -1.358 18167 11135 1 12 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.939 0.065 18167 11136 1 12 . 1 1 86 86 LYS C C 104 177.910 177.910 179.038 -1.128 18167 11137 1 12 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.800 -0.352 18167 11138 1 12 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.347 -0.662 18167 11139 1 12 . 1 1 86 86 LYS H H 104 7.578 7.578 7.807 -0.229 18167 11140 1 12 . 1 1 87 87 THR N N 105 114.567 114.567 116.262 -1.695 18167 11141 1 12 . 1 1 87 87 THR HA H 105 3.949 3.949 3.921 0.028 18167 11142 1 12 . 1 1 87 87 THR C C 105 176.912 176.912 176.858 0.054 18167 11143 1 12 . 1 1 87 87 THR CA C 105 66.108 66.108 66.613 -0.505 18167 11144 1 12 . 1 1 87 87 THR CB C 105 68.909 68.909 68.482 0.427 18167 11145 1 12 . 1 1 87 87 THR H H 105 7.667 7.667 7.778 -0.111 18167 11146 1 12 . 1 1 88 88 VAL N N 106 122.160 122.160 120.921 1.239 18167 11147 1 12 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.443 0.048 18167 11148 1 12 . 1 1 88 88 VAL C C 106 178.950 178.950 178.177 0.773 18167 11149 1 12 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.909 -0.086 18167 11150 1 12 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.467 0.042 18167 11151 1 12 . 1 1 88 88 VAL H H 106 7.600 7.600 7.907 -0.307 18167 11152 1 12 . 1 1 89 89 ASN N N 107 120.741 120.741 118.425 2.316 18167 11153 1 12 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.358 0.132 18167 11154 1 12 . 1 1 89 89 ASN C C 107 178.483 178.483 176.694 1.789 18167 11155 1 12 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.538 0.404 18167 11156 1 12 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.675 0.215 18167 11157 1 12 . 1 1 89 89 ASN H H 107 8.501 8.501 8.379 0.122 18167 11158 1 12 . 1 1 90 90 ASP N N 108 121.211 121.211 120.270 0.941 18167 11159 1 12 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.307 0.173 18167 11160 1 12 . 1 1 90 90 ASP C C 108 177.598 177.598 177.502 0.096 18167 11161 1 12 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.977 -0.610 18167 11162 1 12 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.856 -0.614 18167 11163 1 12 . 1 1 90 90 ASP H H 108 8.824 8.824 8.201 0.623 18167 11164 1 12 . 1 1 91 91 ALA N N 109 121.181 121.181 118.145 3.036 18167 11165 1 12 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.527 -0.135 18167 11166 1 12 . 1 1 91 91 ALA C C 109 177.936 177.936 177.524 0.412 18167 11167 1 12 . 1 1 91 91 ALA CA C 109 52.692 52.692 52.398 0.294 18167 11168 1 12 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.708 -0.819 18167 11169 1 12 . 1 1 91 91 ALA H H 109 7.507 7.507 7.476 0.031 18167 11170 1 12 . 1 1 92 92 SER N N 110 113.785 113.785 113.585 0.200 18167 11171 1 12 . 1 1 92 92 SER HA H 110 4.537 4.537 4.581 -0.044 18167 11172 1 12 . 1 1 92 92 SER C C 110 174.252 174.252 175.190 -0.938 18167 11173 1 12 . 1 1 92 92 SER CA C 110 58.565 58.565 57.811 0.754 18167 11174 1 12 . 1 1 92 92 SER CB C 110 64.795 64.795 64.181 0.614 18167 11175 1 12 . 1 1 92 92 SER H H 110 7.611 7.611 7.791 -0.180 18167 11176 1 12 . 1 1 93 93 GLN N N 111 119.994 119.994 119.939 0.055 18167 11177 1 12 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.173 0.250 18167 11178 1 12 . 1 1 93 93 GLN C C 111 176.441 176.441 176.929 -0.488 18167 11179 1 12 . 1 1 93 93 GLN CA C 111 55.792 55.792 57.346 -1.554 18167 11180 1 12 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.844 -0.001 18167 11181 1 12 . 1 1 93 93 GLN H H 111 8.414 8.414 7.958 0.456 18167 11182 1 12 . 1 1 94 94 GLY N N 112 107.948 107.948 108.717 -0.769 18167 11183 1 12 . 1 1 94 94 GLY C C 112 174.406 174.406 174.578 -0.172 18167 11184 1 12 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.003 -0.061 18167 11185 1 12 . 1 1 94 94 GLY H H 112 8.467 8.467 8.627 -0.160 18167 11186 1 12 . 1 1 95 95 ASP N N 113 119.500 119.500 118.838 0.662 18167 11187 1 12 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.811 -0.255 18167 11188 1 12 . 1 1 95 95 ASP C C 113 175.438 175.438 175.965 -0.527 18167 11189 1 12 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.484 0.196 18167 11190 1 12 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.667 -1.473 18167 11191 1 12 . 1 1 95 95 ASP H H 113 8.423 8.423 8.476 -0.053 18167 11192 1 12 . 1 1 96 96 ARG N N 114 118.992 118.992 120.835 -1.843 18167 11193 1 12 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.233 0.828 18167 11194 1 12 . 1 1 96 96 ARG C C 114 175.699 175.699 175.200 0.499 18167 11195 1 12 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.971 -1.928 18167 11196 1 12 . 1 1 96 96 ARG CB C 114 32.640 32.640 30.917 1.723 18167 11197 1 12 . 1 1 96 96 ARG H H 114 7.507 7.507 8.134 -0.627 18167 11198 1 12 . 1 1 97 97 GLN N N 115 121.149 121.149 120.260 0.889 18167 11199 1 12 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.633 0.036 18167 11200 1 12 . 1 1 97 97 GLN C C 115 173.696 173.696 174.277 -0.581 18167 11201 1 12 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.484 0.073 18167 11202 1 12 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.286 -1.213 18167 11203 1 12 . 1 1 97 97 GLN H H 115 8.814 8.814 8.105 0.709 18167 11204 1 12 . 1 1 98 98 ALA N N 116 129.789 129.789 127.773 2.016 18167 11205 1 12 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.186 0.130 18167 11206 1 12 . 1 1 98 98 ALA C C 116 176.503 176.503 176.403 0.100 18167 11207 1 12 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.468 0.346 18167 11208 1 12 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.339 0.703 18167 11209 1 12 . 1 1 98 98 ALA H H 116 9.836 9.836 8.617 1.219 18167 11210 1 12 . 1 1 99 99 GLU N N 117 122.780 122.780 124.392 -1.612 18167 11211 1 12 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.629 -0.026 18167 11212 1 12 . 1 1 99 99 GLU C C 117 174.361 174.361 175.032 -0.671 18167 11213 1 12 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.682 -0.362 18167 11214 1 12 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.049 0.263 18167 11215 1 12 . 1 1 99 99 GLU H H 117 9.252 9.252 8.341 0.911 18167 11216 1 12 . 1 1 100 100 LEU N N 118 127.043 127.043 128.789 -1.746 18167 11217 1 12 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.404 -0.097 18167 11218 1 12 . 1 1 100 100 LEU C C 118 176.338 176.338 176.312 0.026 18167 11219 1 12 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.095 0.427 18167 11220 1 12 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.999 0.642 18167 11221 1 12 . 1 1 100 100 LEU H H 118 8.765 8.765 8.784 -0.019 18167 11222 1 12 . 1 1 101 101 ILE N N 119 128.101 128.101 128.258 -0.157 18167 11223 1 12 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.814 0.282 18167 11224 1 12 . 1 1 101 101 ILE C C 119 175.634 175.634 176.279 -0.645 18167 11225 1 12 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.349 -0.946 18167 11226 1 12 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.506 0.552 18167 11227 1 12 . 1 1 101 101 ILE H H 119 9.244 9.244 8.767 0.477 18167 11228 1 12 . 1 1 102 102 ASN N N 120 114.715 114.715 114.404 0.311 18167 11229 1 12 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.813 0.142 18167 11230 1 12 . 1 1 102 102 ASN C C 120 172.326 172.326 172.512 -0.186 18167 11231 1 12 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.209 1.164 18167 11232 1 12 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.461 2.426 18167 11233 1 12 . 1 1 102 102 ASN H H 120 7.989 7.989 7.966 0.023 18167 11234 1 12 . 1 1 103 103 ALA N N 121 125.011 125.011 122.553 2.458 18167 11235 1 12 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.282 0.175 18167 11236 1 12 . 1 1 103 103 ALA C C 121 175.068 175.068 175.347 -0.279 18167 11237 1 12 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.574 -0.215 18167 11238 1 12 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.284 1.125 18167 11239 1 12 . 1 1 103 103 ALA H H 121 8.182 8.182 8.364 -0.182 18167 11240 1 12 . 1 1 104 104 GLU N N 122 121.148 121.148 120.263 0.885 18167 11241 1 12 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.621 0.074 18167 11242 1 12 . 1 1 104 104 GLU C C 122 173.666 173.666 173.925 -0.259 18167 11243 1 12 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.811 0.282 18167 11244 1 12 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.413 0.097 18167 11245 1 12 . 1 1 104 104 GLU H H 122 8.817 8.817 8.436 0.381 18167 11246 1 12 . 1 1 105 105 ALA N N 123 124.441 124.441 123.273 1.168 18167 11247 1 12 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.412 0.115 18167 11248 1 12 . 1 1 105 105 ALA C C 123 176.479 176.479 176.629 -0.150 18167 11249 1 12 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.652 0.479 18167 11250 1 12 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.796 1.055 18167 11251 1 12 . 1 1 105 105 ALA H H 123 8.860 8.860 8.384 0.476 18167 11252 1 12 . 1 1 106 106 ARG N N 124 120.892 120.892 120.029 0.863 18167 11253 1 12 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.747 0.076 18167 11254 1 12 . 1 1 106 106 ARG C C 124 172.820 172.820 174.492 -1.672 18167 11255 1 12 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.625 0.147 18167 11256 1 12 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.183 -0.913 18167 11257 1 12 . 1 1 106 106 ARG H H 124 9.209 9.209 8.996 0.213 18167 11258 1 12 . 1 1 107 107 ASP N N 125 122.706 122.706 123.815 -1.109 18167 11259 1 12 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.536 -0.297 18167 11260 1 12 . 1 1 107 107 ASP C C 125 176.097 176.097 175.579 0.518 18167 11261 1 12 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.620 -0.676 18167 11262 1 12 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.049 1.089 18167 11263 1 12 . 1 1 107 107 ASP H H 125 8.633 8.633 8.731 -0.098 18167 11264 1 12 . 1 1 108 108 GLU N N 126 126.120 126.120 126.256 -0.136 18167 11265 1 12 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.718 -0.013 18167 11266 1 12 . 1 1 108 108 GLU C C 126 175.768 175.768 176.108 -0.340 18167 11267 1 12 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.473 -0.456 18167 11268 1 12 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.621 -3.197 18167 11269 1 12 . 1 1 108 108 GLU H H 126 9.152 9.152 9.371 -0.219 18167 11270 1 12 . 1 1 109 109 ASP N N 127 126.277 126.277 123.482 2.795 18167 11271 1 12 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.349 0.005 18167 11272 1 12 . 1 1 109 109 ASP C C 127 175.414 175.414 176.569 -1.155 18167 11273 1 12 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.019 0.371 18167 11274 1 12 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.129 1.113 18167 11275 1 12 . 1 1 109 109 ASP H H 127 9.067 9.067 9.259 -0.192 18167 11276 1 12 . 1 1 110 110 GLY N N 128 106.859 106.859 103.262 3.597 18167 11277 1 12 . 1 1 110 110 GLY C C 128 173.761 173.761 174.365 -0.604 18167 11278 1 12 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.485 -0.243 18167 11279 1 12 . 1 1 110 110 GLY H H 128 9.008 9.008 8.792 0.216 18167 11280 1 12 . 1 1 111 111 GLN N N 129 123.033 123.033 119.559 3.474 18167 11281 1 12 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.493 -0.110 18167 11282 1 12 . 1 1 111 111 GLN C C 129 173.901 173.901 174.058 -0.157 18167 11283 1 12 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.590 -0.654 18167 11284 1 12 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.194 -2.011 18167 11285 1 12 . 1 1 111 111 GLN H H 129 7.825 7.825 8.037 -0.212 18167 11286 1 12 . 1 1 112 112 VAL N N 130 128.263 128.263 121.737 6.526 18167 11287 1 12 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.951 -0.079 18167 11288 1 12 . 1 1 112 112 VAL C C 130 175.591 175.591 174.896 0.695 18167 11289 1 12 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.260 0.843 18167 11290 1 12 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.923 -0.550 18167 11291 1 12 . 1 1 112 112 VAL H H 130 8.330 8.330 8.469 -0.139 18167 11292 1 12 . 1 1 113 113 TYR N N 131 126.702 126.702 125.273 1.429 18167 11293 1 12 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.887 0.163 18167 11294 1 12 . 1 1 113 113 TYR C C 131 175.477 175.477 174.824 0.653 18167 11295 1 12 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.218 0.205 18167 11296 1 12 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.621 0.868 18167 11297 1 12 . 1 1 113 113 TYR H H 131 9.136 9.136 9.445 -0.309 18167 11298 1 12 . 1 1 114 114 TYR N N 132 121.626 121.626 123.997 -2.371 18167 11299 1 12 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.088 0.742 18167 11300 1 12 . 1 1 114 114 TYR C C 132 175.368 175.368 175.613 -0.245 18167 11301 1 12 . 1 1 114 114 TYR CA C 132 54.068 54.068 56.039 -1.971 18167 11302 1 12 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.276 -0.959 18167 11303 1 12 . 1 1 114 114 TYR H H 132 9.577 9.577 9.566 0.011 18167 11304 1 12 . 1 1 115 115 THR N N 133 120.018 120.018 121.265 -1.247 18167 11305 1 12 . 1 1 115 115 THR HA H 133 5.486 5.486 4.600 0.886 18167 11306 1 12 . 1 1 115 115 THR C C 133 174.327 174.327 173.038 1.289 18167 11307 1 12 . 1 1 115 115 THR CA C 133 61.648 61.648 62.316 -0.668 18167 11308 1 12 . 1 1 115 115 THR CB C 133 69.622 69.622 69.778 -0.156 18167 11309 1 12 . 1 1 115 115 THR H H 133 9.351 9.351 9.347 0.004 18167 11310 1 12 . 1 1 116 116 LEU N N 134 127.249 127.249 128.403 -1.154 18167 11311 1 12 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.782 0.513 18167 11312 1 12 . 1 1 116 116 LEU C C 134 174.347 174.347 174.470 -0.123 18167 11313 1 12 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.335 -1.707 18167 11314 1 12 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.271 -0.736 18167 11315 1 12 . 1 1 116 116 LEU H H 134 10.010 10.010 9.498 0.512 18167 11316 1 12 . 1 1 117 117 GLU N N 135 124.969 124.969 125.488 -0.519 18167 11317 1 12 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.782 0.796 18167 11318 1 12 . 1 1 117 117 GLU C C 135 175.635 175.635 174.799 0.836 18167 11319 1 12 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.812 -0.673 18167 11320 1 12 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.579 -0.416 18167 11321 1 12 . 1 1 117 117 GLU H H 135 9.109 9.109 8.993 0.116 18167 11322 1 12 . 1 1 118 118 TYR N N 136 125.868 125.868 123.008 2.860 18167 11323 1 12 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.595 -0.320 18167 11324 1 12 . 1 1 118 118 TYR C C 136 170.317 170.317 172.721 -2.404 18167 11325 1 12 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.819 0.192 18167 11326 1 12 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.318 0.198 18167 11327 1 12 . 1 1 118 118 TYR H H 136 8.973 8.973 8.574 0.399 18167 11328 1 12 . 1 1 119 119 ARG N N 137 115.256 115.256 116.953 -1.697 18167 11329 1 12 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.518 0.559 18167 11330 1 12 . 1 1 119 119 ARG C C 137 173.643 173.643 174.169 -0.526 18167 11331 1 12 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.572 -1.449 18167 11332 1 12 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.388 -1.203 18167 11333 1 12 . 1 1 119 119 ARG H H 137 8.920 8.920 8.620 0.300 18167 11334 1 12 . 1 1 120 120 VAL N N 138 119.767 119.767 121.340 -1.573 18167 11335 1 12 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.828 -0.042 18167 11336 1 12 . 1 1 120 120 VAL C C 138 174.355 174.355 174.910 -0.555 18167 11337 1 12 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.316 0.467 18167 11338 1 12 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.149 1.013 18167 11339 1 12 . 1 1 120 120 VAL H H 138 8.430 8.430 8.578 -0.148 18167 11340 1 12 . 1 1 121 121 LEU N N 139 129.915 129.915 125.591 4.324 18167 11341 1 12 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.170 -0.085 18167 11342 1 12 . 1 1 121 121 LEU C C 139 176.376 176.376 174.753 1.623 18167 11343 1 12 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.328 0.331 18167 11344 1 12 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.414 -1.292 18167 11345 1 12 . 1 1 121 121 LEU H H 139 9.333 9.333 8.514 0.819 18167 11346 1 12 . 1 1 122 122 VAL N N 140 120.956 120.956 121.888 -0.932 18167 11347 1 12 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.417 -0.042 18167 11348 1 12 . 1 1 122 122 VAL C C 140 177.264 177.264 176.990 0.274 18167 11349 1 12 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.810 0.658 18167 11350 1 12 . 1 1 122 122 VAL CB C 140 32.874 32.874 32.876 -0.002 18167 11351 1 12 . 1 1 122 122 VAL H H 140 8.655 8.655 8.192 0.463 18167 11352 1 12 . 1 1 123 123 GLY N N 141 119.059 119.059 118.154 0.905 18167 11353 1 12 . 1 1 123 123 GLY C C 141 174.482 174.482 174.082 0.400 18167 11354 1 12 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.691 0.477 18167 11355 1 12 . 1 1 123 123 GLY H H 141 8.940 8.940 8.739 0.201 18167 11356 1 12 . 1 1 124 124 ASP N N 142 124.652 124.652 124.727 -0.075 18167 11357 1 12 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.764 -0.130 18167 11358 1 12 . 1 1 124 124 ASP C C 142 175.588 175.588 175.236 0.352 18167 11359 1 12 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.572 0.818 18167 11360 1 12 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.801 0.463 18167 11361 1 12 . 1 1 124 124 ASP H H 142 8.722 8.722 8.486 0.236 18167 11362 1 12 . 1 1 125 125 ASN N N 143 118.203 118.203 118.805 -0.602 18167 11363 1 12 . 1 1 125 125 ASN HA H 143 4.927 4.927 5.041 -0.114 18167 11364 1 12 . 1 1 125 125 ASN C C 143 174.095 174.095 173.631 0.464 18167 11365 1 12 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.133 0.273 18167 11366 1 12 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.498 -0.435 18167 11367 1 12 . 1 1 125 125 ASN H H 143 8.023 8.023 8.234 -0.211 18167 11368 1 12 . 1 1 126 126 VAL N N 144 123.424 123.424 121.269 2.155 18167 11369 1 12 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.960 0.120 18167 11370 1 12 . 1 1 126 126 VAL C C 144 175.767 175.767 175.418 0.349 18167 11371 1 12 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.865 0.444 18167 11372 1 12 . 1 1 126 126 VAL H H 144 8.857 8.857 8.472 0.385 18167 11373 1 12 . 1 1 127 127 GLU N N 145 130.709 130.709 128.575 2.134 18167 11374 1 12 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.168 0.237 18167 11375 1 12 . 1 1 127 127 GLU C C 145 176.522 176.522 176.092 0.430 18167 11376 1 12 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.601 -0.637 18167 11377 1 12 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.316 1.040 18167 11378 1 12 . 1 1 127 127 GLU H H 145 9.487 9.487 9.102 0.385 18167 11379 1 12 . 1 1 128 128 ARG N N 146 113.222 113.222 112.010 1.212 18167 11380 1 12 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.363 0.698 18167 11381 1 12 . 1 1 128 128 ARG C C 146 172.055 172.055 173.969 -1.914 18167 11382 1 12 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.314 -0.933 18167 11383 1 12 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.492 1.499 18167 11384 1 12 . 1 1 128 128 ARG H H 146 7.657 7.657 7.647 0.010 18167 11385 1 12 . 1 1 129 129 HIS N N 147 125.158 125.158 117.202 7.956 18167 11386 1 12 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.380 0.252 18167 11387 1 12 . 1 1 129 129 HIS C C 147 172.407 172.407 172.971 -0.564 18167 11388 1 12 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.700 -0.504 18167 11389 1 12 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.368 0.568 18167 11390 1 12 . 1 1 129 129 HIS H H 147 9.295 9.295 7.950 1.345 18167 11391 1 12 . 1 1 130 130 ASP N N 148 122.383 122.383 120.959 1.424 18167 11392 1 12 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.085 1.042 18167 11393 1 12 . 1 1 130 130 ASP C C 148 174.350 174.350 173.585 0.765 18167 11394 1 12 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.645 -0.698 18167 11395 1 12 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.161 -1.193 18167 11396 1 12 . 1 1 130 130 ASP H H 148 8.879 8.879 8.181 0.698 18167 11397 1 12 . 1 1 131 131 LEU N N 149 121.444 121.444 124.051 -2.607 18167 11398 1 12 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.982 0.307 18167 11399 1 12 . 1 1 131 131 LEU C C 149 174.289 174.289 174.181 0.108 18167 11400 1 12 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.209 0.649 18167 11401 1 12 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.131 1.737 18167 11402 1 12 . 1 1 131 131 LEU H H 149 8.916 8.916 8.367 0.549 18167 11403 1 12 . 1 1 132 132 ALA N N 150 128.498 128.498 128.552 -0.054 18167 11404 1 12 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.537 0.493 18167 11405 1 12 . 1 1 132 132 ALA C C 150 176.044 176.044 175.474 0.570 18167 11406 1 12 . 1 1 132 132 ALA CA C 150 49.401 49.401 49.903 -0.502 18167 11407 1 12 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.483 -0.660 18167 11408 1 12 . 1 1 132 132 ALA H H 150 9.920 9.920 9.281 0.639 18167 11409 1 12 . 1 1 133 133 SER N N 151 116.937 116.937 118.585 -1.648 18167 11410 1 12 . 1 1 133 133 SER HA H 151 5.812 5.812 5.548 0.264 18167 11411 1 12 . 1 1 133 133 SER C C 151 173.367 173.367 173.401 -0.034 18167 11412 1 12 . 1 1 133 133 SER CA C 151 56.394 56.394 56.514 -0.120 18167 11413 1 12 . 1 1 133 133 SER CB C 151 65.448 65.448 65.094 0.354 18167 11414 1 12 . 1 1 133 133 SER H H 151 9.360 9.360 8.236 1.124 18167 11415 1 12 . 1 1 134 134 VAL N N 152 126.011 126.011 128.469 -2.458 18167 11416 1 12 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.940 0.469 18167 11417 1 12 . 1 1 134 134 VAL C C 152 175.735 175.735 174.838 0.897 18167 11418 1 12 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.012 -0.849 18167 11419 1 12 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.309 1.611 18167 11420 1 12 . 1 1 134 134 VAL H H 152 9.558 9.558 9.190 0.368 18167 11421 1 12 . 1 1 135 135 THR N N 153 118.998 118.998 123.726 -4.728 18167 11422 1 12 . 1 1 135 135 THR HA H 153 4.723 4.723 4.962 -0.239 18167 11423 1 12 . 1 1 135 135 THR C C 153 171.746 171.746 173.557 -1.811 18167 11424 1 12 . 1 1 135 135 THR CA C 153 61.221 61.221 60.983 0.238 18167 11425 1 12 . 1 1 135 135 THR CB C 153 69.300 69.300 72.296 -2.996 18167 11426 1 12 . 1 1 135 135 THR H H 153 8.960 8.960 9.220 -0.260 18167 11427 1 12 . 1 1 136 136 THR N N 154 109.883 109.883 116.946 -7.063 18167 11428 1 12 . 1 1 136 136 THR HA H 154 5.636 5.636 5.354 0.282 18167 11429 1 12 . 1 1 136 136 THR C C 154 173.904 173.904 173.834 0.070 18167 11430 1 12 . 1 1 136 136 THR CA C 154 58.391 58.391 59.821 -1.430 18167 11431 1 12 . 1 1 136 136 THR CB C 154 71.387 71.387 70.368 1.019 18167 11432 1 12 . 1 1 136 136 THR H H 154 7.940 7.940 8.350 -0.410 18167 11433 1 12 . 1 1 137 137 ASN N N 155 115.138 115.138 120.608 -5.470 18167 11434 1 12 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.800 0.106 18167 11435 1 12 . 1 1 137 137 ASN C C 155 174.994 174.994 174.868 0.126 18167 11436 1 12 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.502 0.843 18167 11437 1 12 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.488 1.319 18167 11438 1 12 . 1 1 137 137 ASN H H 155 8.938 8.938 8.361 0.577 18167 11439 1 12 . 1 1 138 138 ARG N N 156 125.040 125.040 126.224 -1.184 18167 11440 1 12 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.969 -0.012 18167 11441 1 12 . 1 1 138 138 ARG C C 156 175.870 175.870 176.083 -0.213 18167 11442 1 12 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.359 -0.235 18167 11443 1 12 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.464 -0.805 18167 11444 1 12 . 1 1 138 138 ARG H H 156 9.364 9.364 9.187 0.177 18167 11445 1 12 . 1 1 139 139 GLY N N 157 104.408 104.408 102.183 2.225 18167 11446 1 12 . 1 1 139 139 GLY C C 157 173.563 173.563 173.842 -0.279 18167 11447 1 12 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.965 0.856 18167 11448 1 12 . 1 1 139 139 GLY H H 157 8.862 8.862 8.441 0.421 18167 11449 1 12 . 1 1 140 140 LYS N N 158 117.999 117.999 120.339 -2.340 18167 11450 1 12 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.674 0.286 18167 11451 1 12 . 1 1 140 140 LYS C C 158 174.527 174.527 174.923 -0.396 18167 11452 1 12 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.985 -1.263 18167 11453 1 12 . 1 1 140 140 LYS CB C 158 34.864 34.864 35.022 -0.158 18167 11454 1 12 . 1 1 140 140 LYS H H 158 7.718 7.718 7.870 -0.152 18167 11455 1 12 . 1 1 141 141 LEU N N 159 124.332 124.332 125.089 -0.757 18167 11456 1 12 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.525 0.105 18167 11457 1 12 . 1 1 141 141 LEU C C 159 175.337 175.337 175.185 0.152 18167 11458 1 12 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.047 0.190 18167 11459 1 12 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.851 0.021 18167 11460 1 12 . 1 1 141 141 LEU H H 159 9.006 9.006 9.108 -0.102 18167 11461 1 12 . 1 1 142 142 ILE N N 160 128.619 128.619 127.093 1.526 18167 11462 1 12 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.494 0.235 18167 11463 1 12 . 1 1 142 142 ILE C C 160 173.414 173.414 174.700 -1.286 18167 11464 1 12 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.401 0.833 18167 11465 1 12 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.643 -0.459 18167 11466 1 12 . 1 1 142 142 ILE H H 160 9.129 9.129 9.052 0.077 18167 11467 1 12 . 1 1 143 143 THR N N 161 122.266 122.266 123.246 -0.980 18167 11468 1 12 . 1 1 143 143 THR HA H 161 4.797 4.797 5.344 -0.547 18167 11469 1 12 . 1 1 143 143 THR C C 161 171.903 171.903 173.296 -1.393 18167 11470 1 12 . 1 1 143 143 THR CA C 161 61.666 61.666 61.013 0.653 18167 11471 1 12 . 1 1 143 143 THR CB C 161 70.025 70.025 71.331 -1.306 18167 11472 1 12 . 1 1 143 143 THR H H 161 8.818 8.818 8.414 0.404 18167 11473 1 12 . 1 1 144 144 PHE N N 162 130.742 130.742 126.899 3.843 18167 11474 1 12 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.720 0.070 18167 11475 1 12 . 1 1 144 144 PHE C C 162 173.404 173.404 173.464 -0.060 18167 11476 1 12 . 1 1 144 144 PHE CA C 162 55.220 55.220 55.777 -0.557 18167 11477 1 12 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.164 -1.424 18167 11478 1 12 . 1 1 144 144 PHE H H 162 9.219 9.219 8.890 0.329 18167 11479 1 12 . 1 1 145 145 ASP N N 163 127.154 127.154 128.289 -1.135 18167 11480 1 12 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.274 -0.318 18167 11481 1 12 . 1 1 145 145 ASP C C 163 174.933 174.933 174.662 0.271 18167 11482 1 12 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.930 0.480 18167 11483 1 12 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.500 0.824 18167 11484 1 12 . 1 1 145 145 ASP H H 163 8.862 8.862 8.510 0.352 18167 11485 1 12 . 1 1 146 146 LEU N N 164 131.658 131.658 127.579 4.079 18167 11486 1 12 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.750 -0.155 18167 11487 1 12 . 1 1 146 146 LEU C C 164 174.511 174.511 175.425 -0.914 18167 11488 1 12 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.262 -0.291 18167 11489 1 12 . 1 1 146 146 LEU CB C 164 43.097 43.097 44.997 -1.900 18167 11490 1 12 . 1 1 146 146 LEU H H 164 8.938 8.938 8.737 0.201 18167 11491 1 12 . 1 1 147 147 SER N N 165 114.966 114.966 117.181 -2.215 18167 11492 1 12 . 1 1 147 147 SER HA H 165 5.186 5.186 5.251 -0.065 18167 11493 1 12 . 1 1 147 147 SER C C 165 173.417 173.417 173.591 -0.174 18167 11494 1 12 . 1 1 147 147 SER CA C 165 56.600 56.600 57.102 -0.503 18167 11495 1 12 . 1 1 147 147 SER CB C 165 67.205 67.205 66.273 0.932 18167 11496 1 12 . 1 1 147 147 SER H H 165 8.995 8.995 9.015 -0.020 18167 11497 1 12 . 1 1 148 148 THR N N 166 118.620 118.620 119.704 -1.084 18167 11498 1 12 . 1 1 148 148 THR HA H 166 5.144 5.144 4.769 0.375 18167 11499 1 12 . 1 1 148 148 THR C C 166 173.151 173.151 173.310 -0.159 18167 11500 1 12 . 1 1 148 148 THR CA C 166 60.362 60.362 61.393 -1.031 18167 11501 1 12 . 1 1 148 148 THR CB C 166 69.214 69.214 73.107 -3.893 18167 11502 1 12 . 1 1 148 148 THR H H 166 8.614 8.614 7.978 0.636 18167 11503 1 12 . 1 1 149 149 ALA N N 167 124.595 124.595 124.174 0.421 18167 11504 1 12 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.238 0.367 18167 11505 1 12 . 1 1 149 149 ALA C C 167 179.460 179.460 178.652 0.808 18167 11506 1 12 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.793 -1.237 18167 11507 1 12 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.426 0.832 18167 11508 1 12 . 1 1 149 149 ALA H H 167 8.107 8.107 8.579 -0.472 18167 11509 1 12 . 1 1 150 150 GLU N N 168 123.906 123.906 122.377 1.529 18167 11510 1 12 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.619 0.879 18167 11511 1 12 . 1 1 150 150 GLU C C 168 178.587 178.587 177.612 0.975 18167 11512 1 12 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.841 0.105 18167 11513 1 12 . 1 1 150 150 GLU CB C 168 28.707 28.707 28.885 -0.178 18167 11514 1 12 . 1 1 150 150 GLU H H 168 8.471 8.471 8.883 -0.412 18167 11515 1 12 . 1 1 151 151 ASP N N 169 114.005 114.005 121.094 -7.089 18167 11516 1 12 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.443 0.040 18167 11517 1 12 . 1 1 151 151 ASP C C 169 177.260 177.260 177.475 -0.215 18167 11518 1 12 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.527 -0.609 18167 11519 1 12 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.247 -0.162 18167 11520 1 12 . 1 1 151 151 ASP H H 169 8.575 8.575 8.746 -0.171 18167 11521 1 12 . 1 1 152 152 ARG N N 170 118.283 118.283 117.557 0.726 18167 11522 1 12 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.460 -0.129 18167 11523 1 12 . 1 1 152 152 ARG C C 170 177.094 177.094 177.853 -0.759 18167 11524 1 12 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.733 -0.897 18167 11525 1 12 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.564 1.420 18167 11526 1 12 . 1 1 152 152 ARG H H 170 7.663 7.663 8.085 -0.422 18167 11527 1 12 . 1 1 153 153 TRP N N 171 122.336 122.336 122.741 -0.405 18167 11528 1 12 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.499 -0.589 18167 11529 1 12 . 1 1 153 153 TRP C C 171 175.820 175.820 176.568 -0.748 18167 11530 1 12 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.029 -0.153 18167 11531 1 12 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.418 -0.010 18167 11532 1 12 . 1 1 153 153 TRP H H 171 7.689 7.689 8.277 -0.588 18167 11533 1 12 . 1 1 154 154 ASP N N 172 114.179 114.179 116.606 -2.427 18167 11534 1 12 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.530 -0.513 18167 11535 1 12 . 1 1 154 154 ASP C C 172 178.442 178.442 178.216 0.226 18167 11536 1 12 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.134 0.369 18167 11537 1 12 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.606 -0.442 18167 11538 1 12 . 1 1 154 154 ASP H H 172 8.690 8.690 8.079 0.611 18167 11539 1 12 . 1 1 155 155 THR N N 173 114.661 114.661 114.930 -0.269 18167 11540 1 12 . 1 1 155 155 THR HA H 173 3.990 3.990 4.146 -0.156 18167 11541 1 12 . 1 1 155 155 THR C C 173 175.985 175.985 175.983 0.002 18167 11542 1 12 . 1 1 155 155 THR CA C 173 65.585 65.585 65.675 -0.090 18167 11543 1 12 . 1 1 155 155 THR CB C 173 69.076 69.076 69.104 -0.028 18167 11544 1 12 . 1 1 155 155 THR H H 173 7.635 7.635 7.813 -0.178 18167 11545 1 12 . 1 1 156 156 VAL N N 174 113.687 113.687 112.551 1.136 18167 11546 1 12 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.345 -0.068 18167 11547 1 12 . 1 1 156 156 VAL C C 174 176.185 176.185 174.998 1.187 18167 11548 1 12 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.443 1.001 18167 11549 1 12 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.676 2.477 18167 11550 1 12 . 1 1 156 156 VAL H H 174 7.447 7.447 7.990 -0.543 18167 11551 1 12 . 1 1 157 157 LYS N N 175 123.084 123.084 120.738 2.346 18167 11552 1 12 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.516 -0.672 18167 11553 1 12 . 1 1 157 157 LYS C C 175 177.321 177.321 177.789 -0.468 18167 11554 1 12 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.609 0.610 18167 11555 1 12 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.790 -1.595 18167 11556 1 12 . 1 1 157 157 LYS H H 175 7.548 7.548 7.166 0.382 18167 11557 1 12 . 1 1 158 158 SER N N 176 114.046 114.046 114.789 -0.743 18167 11558 1 12 . 1 1 158 158 SER HA H 176 3.820 3.820 4.195 -0.375 18167 11559 1 12 . 1 1 158 158 SER C C 176 176.927 176.927 176.208 0.719 18167 11560 1 12 . 1 1 158 158 SER CA C 176 61.600 61.600 59.780 1.820 18167 11561 1 12 . 1 1 158 158 SER CB C 176 62.048 62.048 62.803 -0.755 18167 11562 1 12 . 1 1 158 158 SER H H 176 8.161 8.161 7.973 0.188 18167 11563 1 12 . 1 1 159 159 LEU N N 177 126.125 126.125 123.642 2.483 18167 11564 1 12 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.752 0.421 18167 11565 1 12 . 1 1 159 159 LEU C C 177 178.403 178.403 177.884 0.519 18167 11566 1 12 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.630 0.072 18167 11567 1 12 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.281 -0.205 18167 11568 1 12 . 1 1 159 159 LEU H H 177 7.587 7.587 6.968 0.619 18167 11569 1 12 . 1 1 160 160 PHE N N 178 119.582 119.582 117.154 2.428 18167 11570 1 12 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.905 0.377 18167 11571 1 12 . 1 1 160 160 PHE C C 178 177.277 177.277 177.659 -0.382 18167 11572 1 12 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.831 -3.121 18167 11573 1 12 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.587 -2.047 18167 11574 1 12 . 1 1 160 160 PHE H H 178 9.067 9.067 6.706 2.361 18167 11575 1 12 . 1 1 161 161 ASP N N 179 120.599 120.599 119.156 1.443 18167 11576 1 12 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.378 -0.038 18167 11577 1 12 . 1 1 161 161 ASP C C 179 179.216 179.216 178.617 0.599 18167 11578 1 12 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.192 0.710 18167 11579 1 12 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.484 0.473 18167 11580 1 12 . 1 1 161 161 ASP H H 179 8.578 8.578 7.630 0.948 18167 11581 1 12 . 1 1 162 162 THR N N 180 118.300 118.300 117.097 1.203 18167 11582 1 12 . 1 1 162 162 THR HA H 180 3.849 3.849 4.053 -0.204 18167 11583 1 12 . 1 1 162 162 THR C C 180 176.875 176.875 176.903 -0.028 18167 11584 1 12 . 1 1 162 162 THR CA C 180 66.977 66.977 66.705 0.272 18167 11585 1 12 . 1 1 162 162 THR CB C 180 68.886 68.886 68.725 0.161 18167 11586 1 12 . 1 1 162 162 THR H H 180 7.771 7.771 8.411 -0.640 18167 11587 1 12 . 1 1 163 163 VAL N N 181 123.234 123.234 121.998 1.236 18167 11588 1 12 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.700 -0.106 18167 11589 1 12 . 1 1 163 163 VAL C C 181 180.016 180.016 177.971 2.045 18167 11590 1 12 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.319 0.437 18167 11591 1 12 . 1 1 163 163 VAL CB C 181 31.712 31.712 30.995 0.717 18167 11592 1 12 . 1 1 163 163 VAL H H 181 8.831 8.831 8.241 0.590 18167 11593 1 12 . 1 1 164 164 ALA N N 182 124.654 124.654 121.362 3.292 18167 11594 1 12 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.544 0.718 18167 11595 1 12 . 1 1 164 164 ALA C C 182 180.510 180.510 179.577 0.933 18167 11596 1 12 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.654 1.805 18167 11597 1 12 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.282 -0.719 18167 11598 1 12 . 1 1 164 164 ALA H H 182 9.662 9.662 8.066 1.596 18167 11599 1 12 . 1 1 165 165 SER N N 183 112.325 112.325 112.907 -0.582 18167 11600 1 12 . 1 1 165 165 SER HA H 183 4.173 4.173 4.512 -0.339 18167 11601 1 12 . 1 1 165 165 SER C C 183 173.817 173.817 176.104 -2.287 18167 11602 1 12 . 1 1 165 165 SER CA C 183 61.155 61.155 60.735 0.420 18167 11603 1 12 . 1 1 165 165 SER CB C 183 63.140 63.140 63.917 -0.777 18167 11604 1 12 . 1 1 165 165 SER H H 183 7.988 7.988 7.970 0.018 18167 11605 1 12 . 1 1 166 166 SER N N 184 117.332 117.332 117.288 0.044 18167 11606 1 12 . 1 1 166 166 SER HA H 184 4.356 4.356 4.411 -0.055 18167 11607 1 12 . 1 1 166 166 SER C C 184 174.163 174.163 175.769 -1.606 18167 11608 1 12 . 1 1 166 166 SER CA C 184 59.502 59.502 59.941 -0.439 18167 11609 1 12 . 1 1 166 166 SER CB C 184 63.416 63.416 63.675 -0.259 18167 11610 1 12 . 1 1 166 166 SER H H 184 7.766 7.766 8.274 -0.508 18167 11611 1 12 . 1 1 167 167 PHE N N 185 124.827 124.827 122.135 2.692 18167 11612 1 12 . 1 1 167 167 PHE HA H 185 5.163 5.163 5.026 0.137 18167 11613 1 12 . 1 1 167 167 PHE C C 185 174.545 174.545 174.991 -0.446 18167 11614 1 12 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.891 -0.389 18167 11615 1 12 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.999 -1.609 18167 11616 1 12 . 1 1 167 167 PHE H H 185 7.101 7.101 7.860 -0.759 18167 11617 1 12 . 1 1 168 168 HIS N N 186 127.050 127.050 119.717 7.333 18167 11618 1 12 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.589 0.564 18167 11619 1 12 . 1 1 168 168 HIS C C 186 172.836 172.836 173.257 -0.421 18167 11620 1 12 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.989 -0.833 18167 11621 1 12 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.266 -2.263 18167 11622 1 12 . 1 1 168 168 HIS H H 186 8.645 8.645 9.056 -0.411 18167 11623 1 12 . 1 1 169 169 VAL N N 187 114.268 114.268 118.199 -3.931 18167 11624 1 12 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.133 0.027 18167 11625 1 12 . 1 1 169 169 VAL C C 187 174.449 174.449 174.251 0.198 18167 11626 1 12 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.776 -0.423 18167 11627 1 12 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.983 -1.574 18167 11628 1 12 . 1 1 169 169 VAL H H 187 7.466 7.466 7.251 0.215 18167 11629 1 13 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.508 -0.036 18167 11630 1 13 . 1 1 2 2 PRO C C 20 177.006 177.006 178.115 -1.109 18167 11631 1 13 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.161 0.879 18167 11632 1 13 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.596 -0.532 18167 11633 1 13 . 1 1 3 3 LEU N N 21 122.423 122.423 123.015 -0.592 18167 11634 1 13 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.017 0.324 18167 11635 1 13 . 1 1 3 3 LEU C C 21 177.928 177.928 178.397 -0.469 18167 11636 1 13 . 1 1 3 3 LEU CA C 21 55.318 55.318 56.019 -0.701 18167 11637 1 13 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.821 0.445 18167 11638 1 13 . 1 1 3 3 LEU H H 21 8.551 8.551 8.384 0.167 18167 11639 1 13 . 1 1 4 4 GLY N N 22 109.759 109.759 105.396 4.363 18167 11640 1 13 . 1 1 4 4 GLY C C 22 174.309 174.309 174.754 -0.445 18167 11641 1 13 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.056 0.174 18167 11642 1 13 . 1 1 4 4 GLY H H 22 8.423 8.423 7.994 0.429 18167 11643 1 13 . 1 1 5 5 SER N N 23 115.538 115.538 116.017 -0.479 18167 11644 1 13 . 1 1 5 5 SER HA H 23 4.488 4.488 4.347 0.141 18167 11645 1 13 . 1 1 5 5 SER C C 23 174.841 174.841 174.793 0.048 18167 11646 1 13 . 1 1 5 5 SER CA C 23 58.329 58.329 59.026 -0.697 18167 11647 1 13 . 1 1 5 5 SER CB C 23 63.957 63.957 63.897 0.060 18167 11648 1 13 . 1 1 5 5 SER H H 23 8.233 8.233 8.143 0.090 18167 11649 1 13 . 1 1 6 6 CYS N N 24 120.699 120.699 122.382 -1.683 18167 11650 1 13 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.472 0.070 18167 11651 1 13 . 1 1 6 6 CYS C C 24 175.079 175.079 175.654 -0.575 18167 11652 1 13 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.870 -0.153 18167 11653 1 13 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.061 -0.092 18167 11654 1 13 . 1 1 6 6 CYS H H 24 8.493 8.493 8.598 -0.105 18167 11655 1 13 . 1 1 7 7 GLY N N 25 110.895 110.895 111.005 -0.110 18167 11656 1 13 . 1 1 7 7 GLY C C 25 174.402 174.402 174.808 -0.406 18167 11657 1 13 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.983 -0.504 18167 11658 1 13 . 1 1 7 7 GLY H H 25 8.449 8.449 8.151 0.298 18167 11659 1 13 . 1 1 8 8 GLY N N 26 108.733 108.733 109.888 -1.155 18167 11660 1 13 . 1 1 8 8 GLY C C 26 174.113 174.113 174.676 -0.563 18167 11661 1 13 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.559 0.621 18167 11662 1 13 . 1 1 8 8 GLY H H 26 8.236 8.236 8.387 -0.151 18167 11663 1 13 . 1 1 9 9 VAL N N 27 118.903 118.903 117.452 1.451 18167 11664 1 13 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.081 0.043 18167 11665 1 13 . 1 1 9 9 VAL C C 27 176.630 176.630 176.377 0.253 18167 11666 1 13 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.946 0.439 18167 11667 1 13 . 1 1 9 9 VAL CB C 27 32.521 32.521 32.346 0.174 18167 11668 1 13 . 1 1 9 9 VAL H H 27 8.019 8.019 7.596 0.423 18167 11669 1 13 . 1 1 10 10 GLY N N 28 112.317 112.317 113.912 -1.595 18167 11670 1 13 . 1 1 10 10 GLY C C 28 174.378 174.378 174.607 -0.229 18167 11671 1 13 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.386 0.960 18167 11672 1 13 . 1 1 10 10 GLY H H 28 8.483 8.483 8.332 0.150 18167 11673 1 13 . 1 1 11 11 ILE N N 29 119.788 119.788 123.887 -4.099 18167 11674 1 13 . 1 1 11 11 ILE HA H 29 4.081 4.081 3.947 0.134 18167 11675 1 13 . 1 1 11 11 ILE C C 29 176.168 176.168 175.646 0.522 18167 11676 1 13 . 1 1 11 11 ILE CA C 29 61.412 61.412 62.215 -0.803 18167 11677 1 13 . 1 1 11 11 ILE CB C 29 38.557 38.557 35.797 2.760 18167 11678 1 13 . 1 1 11 11 ILE H H 29 7.948 7.948 8.639 -0.691 18167 11679 1 13 . 1 1 12 12 ALA N N 30 126.009 126.009 130.395 -4.386 18167 11680 1 13 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.481 -0.193 18167 11681 1 13 . 1 1 12 12 ALA C C 30 177.504 177.504 175.411 2.093 18167 11682 1 13 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.799 1.066 18167 11683 1 13 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.335 -1.369 18167 11684 1 13 . 1 1 12 12 ALA H H 30 8.247 8.247 7.955 0.292 18167 11685 1 13 . 1 1 13 13 SER N N 31 113.949 113.949 116.658 -2.709 18167 11686 1 13 . 1 1 13 13 SER HA H 31 4.392 4.392 4.633 -0.241 18167 11687 1 13 . 1 1 13 13 SER C C 31 173.644 173.644 172.968 0.676 18167 11688 1 13 . 1 1 13 13 SER CA C 31 58.329 58.329 57.343 0.986 18167 11689 1 13 . 1 1 13 13 SER CB C 31 63.609 63.609 63.650 -0.041 18167 11690 1 13 . 1 1 13 13 SER H H 31 8.045 8.045 8.289 -0.244 18167 11691 1 13 . 1 1 14 14 LEU N N 32 122.240 122.240 124.465 -2.225 18167 11692 1 13 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.247 0.298 18167 11693 1 13 . 1 1 14 14 LEU C C 32 176.001 176.001 176.027 -0.026 18167 11694 1 13 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.701 0.176 18167 11695 1 13 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.358 0.887 18167 11696 1 13 . 1 1 14 14 LEU H H 32 7.749 7.749 8.461 -0.712 18167 11697 1 13 . 1 1 15 15 GLN N N 33 120.685 120.685 120.483 0.202 18167 11698 1 13 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.507 -0.125 18167 11699 1 13 . 1 1 15 15 GLN C C 33 172.944 172.944 173.999 -1.055 18167 11700 1 13 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.995 -0.534 18167 11701 1 13 . 1 1 15 15 GLN CB C 33 30.743 30.743 32.286 -1.543 18167 11702 1 13 . 1 1 15 15 GLN H H 33 8.780 8.780 7.757 1.023 18167 11703 1 13 . 1 1 16 16 ARG N N 34 120.341 120.341 123.525 -3.184 18167 11704 1 13 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.478 0.426 18167 11705 1 13 . 1 1 16 16 ARG C C 34 175.846 175.846 175.104 0.742 18167 11706 1 13 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.468 0.233 18167 11707 1 13 . 1 1 16 16 ARG CB C 34 32.742 32.742 31.732 1.010 18167 11708 1 13 . 1 1 16 16 ARG H H 34 8.274 8.274 8.544 -0.270 18167 11709 1 13 . 1 1 17 17 TYR N N 35 128.733 128.733 129.116 -0.383 18167 11710 1 13 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.811 -0.253 18167 11711 1 13 . 1 1 17 17 TYR C C 35 173.307 173.307 173.317 -0.010 18167 11712 1 13 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.774 -0.041 18167 11713 1 13 . 1 1 17 17 TYR CB C 35 41.583 41.583 40.804 0.779 18167 11714 1 13 . 1 1 17 17 TYR H H 35 9.104 9.104 8.612 0.492 18167 11715 1 13 . 1 1 18 18 SER N N 36 119.150 119.150 122.711 -3.561 18167 11716 1 13 . 1 1 18 18 SER HA H 36 4.786 4.786 4.983 -0.197 18167 11717 1 13 . 1 1 18 18 SER C C 36 172.002 172.002 172.539 -0.537 18167 11718 1 13 . 1 1 18 18 SER CA C 36 56.341 56.341 56.595 -0.254 18167 11719 1 13 . 1 1 18 18 SER CB C 36 65.327 65.327 66.326 -0.999 18167 11720 1 13 . 1 1 18 18 SER H H 36 7.398 7.398 8.288 -0.890 18167 11721 1 13 . 1 1 19 19 ASP N N 37 124.935 124.935 124.196 0.739 18167 11722 1 13 . 1 1 19 19 ASP HA H 37 4.671 4.671 5.049 -0.378 18167 11723 1 13 . 1 1 19 19 ASP C C 37 176.089 176.089 176.451 -0.362 18167 11724 1 13 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.800 -0.991 18167 11725 1 13 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.617 -1.152 18167 11726 1 13 . 1 1 19 19 ASP H H 37 8.607 8.607 8.449 0.158 18167 11727 1 13 . 1 1 20 20 THR N N 38 117.032 117.032 115.238 1.794 18167 11728 1 13 . 1 1 20 20 THR HA H 38 4.316 4.316 3.925 0.391 18167 11729 1 13 . 1 1 20 20 THR C C 38 175.794 175.794 175.694 0.100 18167 11730 1 13 . 1 1 20 20 THR CA C 38 63.123 63.123 64.909 -1.786 18167 11731 1 13 . 1 1 20 20 THR CB C 38 68.905 68.905 69.030 -0.125 18167 11732 1 13 . 1 1 20 20 THR H H 38 8.470 8.470 8.580 -0.110 18167 11733 1 13 . 1 1 21 21 LYS N N 39 124.893 124.893 121.136 3.757 18167 11734 1 13 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.120 0.069 18167 11735 1 13 . 1 1 21 21 LYS C C 39 177.678 177.678 177.423 0.255 18167 11736 1 13 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.207 -0.412 18167 11737 1 13 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.112 -0.444 18167 11738 1 13 . 1 1 21 21 LYS H H 39 8.201 8.201 8.320 -0.119 18167 11739 1 13 . 1 1 22 22 ASP N N 40 118.183 118.183 116.072 2.111 18167 11740 1 13 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.555 0.266 18167 11741 1 13 . 1 1 22 22 ASP C C 40 176.752 176.752 177.199 -0.447 18167 11742 1 13 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.395 0.484 18167 11743 1 13 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.838 1.031 18167 11744 1 13 . 1 1 22 22 ASP H H 40 8.480 8.480 7.931 0.549 18167 11745 1 13 . 1 1 23 23 GLY N N 41 108.978 108.978 108.237 0.741 18167 11746 1 13 . 1 1 23 23 GLY C C 41 172.396 172.396 173.318 -0.922 18167 11747 1 13 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.550 1.567 18167 11748 1 13 . 1 1 23 23 GLY H H 41 7.421 7.421 8.383 -0.962 18167 11749 1 13 . 1 1 24 24 TYR N N 42 112.046 112.046 116.577 -4.531 18167 11750 1 13 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.819 -0.425 18167 11751 1 13 . 1 1 24 24 TYR C C 42 173.028 173.028 172.921 0.107 18167 11752 1 13 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.614 1.218 18167 11753 1 13 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.650 0.204 18167 11754 1 13 . 1 1 24 24 TYR H H 42 7.506 7.506 7.732 -0.226 18167 11755 1 13 . 1 1 25 25 GLU N N 43 117.470 117.470 120.617 -3.147 18167 11756 1 13 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.170 0.298 18167 11757 1 13 . 1 1 25 25 GLU C C 43 173.311 173.311 174.135 -0.824 18167 11758 1 13 . 1 1 25 25 GLU CA C 43 54.231 54.231 54.627 -0.396 18167 11759 1 13 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.252 -0.627 18167 11760 1 13 . 1 1 25 25 GLU H H 43 8.934 8.934 8.873 0.061 18167 11761 1 13 . 1 1 26 26 PHE N N 44 112.795 112.795 121.378 -8.583 18167 11762 1 13 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.030 -0.188 18167 11763 1 13 . 1 1 26 26 PHE C C 44 172.776 172.776 173.004 -0.228 18167 11764 1 13 . 1 1 26 26 PHE CA C 44 56.616 56.616 57.824 -1.208 18167 11765 1 13 . 1 1 26 26 PHE CB C 44 40.449 40.449 43.157 -2.708 18167 11766 1 13 . 1 1 26 26 PHE H H 44 8.532 8.532 8.598 -0.066 18167 11767 1 13 . 1 1 27 27 LEU N N 45 119.784 119.784 125.790 -6.006 18167 11768 1 13 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.963 0.557 18167 11769 1 13 . 1 1 27 27 LEU C C 45 174.965 174.965 175.603 -0.638 18167 11770 1 13 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.435 -0.661 18167 11771 1 13 . 1 1 27 27 LEU CB C 45 44.650 44.650 42.711 1.939 18167 11772 1 13 . 1 1 27 27 LEU H H 45 9.241 9.241 8.031 1.210 18167 11773 1 13 . 1 1 28 28 TYR N N 46 113.008 113.008 119.948 -6.940 18167 11774 1 13 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.380 0.533 18167 11775 1 13 . 1 1 28 28 TYR C C 46 171.354 171.354 172.434 -1.080 18167 11776 1 13 . 1 1 28 28 TYR CA C 46 54.757 54.757 53.799 0.958 18167 11777 1 13 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.464 -0.317 18167 11778 1 13 . 1 1 28 28 TYR H H 46 8.951 8.951 8.367 0.584 18167 11779 1 13 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.969 0.038 18167 11780 1 13 . 1 1 29 29 PRO C C 47 176.165 176.165 176.265 -0.100 18167 11781 1 13 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.441 0.877 18167 11782 1 13 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.038 -0.698 18167 11783 1 13 . 1 1 30 30 ASN N N 48 119.923 119.923 118.621 1.302 18167 11784 1 13 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.454 -0.191 18167 11785 1 13 . 1 1 30 30 ASN C C 48 176.347 176.347 176.245 0.102 18167 11786 1 13 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.489 1.712 18167 11787 1 13 . 1 1 30 30 ASN CB C 48 38.588 38.588 39.382 -0.794 18167 11788 1 13 . 1 1 30 30 ASN H H 48 8.163 8.163 7.797 0.366 18167 11789 1 13 . 1 1 31 31 GLY N N 49 111.442 111.442 108.680 2.762 18167 11790 1 13 . 1 1 31 31 GLY C C 49 174.985 174.985 174.891 0.094 18167 11791 1 13 . 1 1 31 31 GLY CA C 49 45.392 45.392 44.995 0.397 18167 11792 1 13 . 1 1 31 31 GLY H H 49 8.702 8.702 8.770 -0.068 18167 11793 1 13 . 1 1 32 32 TRP N N 50 122.100 122.100 120.841 1.259 18167 11794 1 13 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.077 0.265 18167 11795 1 13 . 1 1 32 32 TRP C C 50 176.370 176.370 177.629 -1.259 18167 11796 1 13 . 1 1 32 32 TRP CA C 50 57.293 57.293 57.000 0.293 18167 11797 1 13 . 1 1 32 32 TRP CB C 50 30.104 30.104 29.965 0.139 18167 11798 1 13 . 1 1 32 32 TRP H H 50 8.008 8.008 7.686 0.322 18167 11799 1 13 . 1 1 33 33 ILE N N 51 117.163 117.163 119.287 -2.124 18167 11800 1 13 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.837 0.118 18167 11801 1 13 . 1 1 33 33 ILE C C 51 175.549 175.549 175.000 0.549 18167 11802 1 13 . 1 1 33 33 ILE CA C 51 59.228 59.228 60.004 -0.776 18167 11803 1 13 . 1 1 33 33 ILE CB C 51 42.089 42.089 40.739 1.350 18167 11804 1 13 . 1 1 33 33 ILE H H 51 9.249 9.249 8.550 0.699 18167 11805 1 13 . 1 1 34 34 GLY N N 52 111.812 111.812 111.529 0.283 18167 11806 1 13 . 1 1 34 34 GLY C C 52 173.956 173.956 173.767 0.189 18167 11807 1 13 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.095 1.309 18167 11808 1 13 . 1 1 34 34 GLY H H 52 8.787 8.787 8.403 0.384 18167 11809 1 13 . 1 1 35 35 VAL N N 53 122.174 122.174 124.087 -1.913 18167 11810 1 13 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.149 -0.005 18167 11811 1 13 . 1 1 35 35 VAL C C 53 174.921 174.921 175.057 -0.136 18167 11812 1 13 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.345 -0.688 18167 11813 1 13 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.148 -0.108 18167 11814 1 13 . 1 1 35 35 VAL H H 53 7.763 7.763 8.363 -0.600 18167 11815 1 13 . 1 1 36 36 ASP N N 54 125.424 125.424 126.794 -1.370 18167 11816 1 13 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.627 -0.038 18167 11817 1 13 . 1 1 36 36 ASP C C 54 176.890 176.890 175.675 1.215 18167 11818 1 13 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.108 0.342 18167 11819 1 13 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.804 -0.631 18167 11820 1 13 . 1 1 36 36 ASP H H 54 8.425 8.425 8.566 -0.141 18167 11821 1 13 . 1 1 37 37 VAL N N 55 120.335 120.335 120.429 -0.094 18167 11822 1 13 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.396 -0.228 18167 11823 1 13 . 1 1 37 37 VAL C C 55 176.785 176.785 175.035 1.750 18167 11824 1 13 . 1 1 37 37 VAL CA C 55 61.919 61.919 60.688 1.231 18167 11825 1 13 . 1 1 37 37 VAL CB C 55 31.790 31.790 31.550 0.240 18167 11826 1 13 . 1 1 37 37 VAL H H 55 8.215 8.215 8.410 -0.195 18167 11827 1 13 . 1 1 38 38 LYS N N 56 124.881 124.881 123.455 1.426 18167 11828 1 13 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.330 -0.128 18167 11829 1 13 . 1 1 38 38 LYS C C 56 177.828 177.828 177.859 -0.031 18167 11830 1 13 . 1 1 38 38 LYS CA C 56 58.003 58.003 56.462 1.541 18167 11831 1 13 . 1 1 38 38 LYS CB C 56 31.637 31.637 31.751 -0.114 18167 11832 1 13 . 1 1 38 38 LYS H H 56 8.331 8.331 7.903 0.428 18167 11833 1 13 . 1 1 39 39 GLY N N 57 111.152 111.152 112.201 -1.049 18167 11834 1 13 . 1 1 39 39 GLY C C 57 174.253 174.253 174.030 0.223 18167 11835 1 13 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.806 0.554 18167 11836 1 13 . 1 1 39 39 GLY H H 57 8.651 8.651 8.932 -0.281 18167 11837 1 13 . 1 1 40 40 ALA N N 58 123.085 123.085 122.792 0.293 18167 11838 1 13 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.429 -0.046 18167 11839 1 13 . 1 1 40 40 ALA C C 58 177.125 177.125 176.733 0.392 18167 11840 1 13 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.305 1.049 18167 11841 1 13 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.643 -0.026 18167 11842 1 13 . 1 1 40 40 ALA H H 58 7.839 7.839 7.501 0.338 18167 11843 1 13 . 1 1 41 41 SER N N 59 115.088 115.088 116.203 -1.115 18167 11844 1 13 . 1 1 41 41 SER HA H 59 4.688 4.688 4.340 0.348 18167 11845 1 13 . 1 1 41 41 SER C C 59 171.885 171.885 172.950 -1.065 18167 11846 1 13 . 1 1 41 41 SER CA C 59 56.951 56.951 57.583 -0.631 18167 11847 1 13 . 1 1 41 41 SER CB C 59 63.123 63.123 61.739 1.384 18167 11848 1 13 . 1 1 41 41 SER H H 59 8.186 8.186 8.307 -0.121 18167 11849 1 13 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.196 0.153 18167 11850 1 13 . 1 1 42 42 PRO C C 60 177.660 177.660 177.860 -0.200 18167 11851 1 13 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.296 -0.072 18167 11852 1 13 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.963 -0.422 18167 11853 1 13 . 1 1 43 43 GLY N N 61 111.997 111.997 110.645 1.352 18167 11854 1 13 . 1 1 43 43 GLY C C 61 174.070 174.070 174.127 -0.057 18167 11855 1 13 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.885 0.729 18167 11856 1 13 . 1 1 43 43 GLY H H 61 8.730 8.730 8.518 0.212 18167 11857 1 13 . 1 1 44 44 VAL N N 62 120.539 120.539 122.670 -2.131 18167 11858 1 13 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.778 0.499 18167 11859 1 13 . 1 1 44 44 VAL C C 62 175.277 175.277 175.207 0.070 18167 11860 1 13 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.377 -1.450 18167 11861 1 13 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.927 0.628 18167 11862 1 13 . 1 1 44 44 VAL H H 62 7.573 7.573 7.779 -0.206 18167 11863 1 13 . 1 1 45 45 ASP N N 63 128.619 128.619 128.018 0.601 18167 11864 1 13 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.655 0.252 18167 11865 1 13 . 1 1 45 45 ASP C C 63 176.177 176.177 175.561 0.616 18167 11866 1 13 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.704 1.151 18167 11867 1 13 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.475 0.800 18167 11868 1 13 . 1 1 45 45 ASP H H 63 9.084 9.084 8.207 0.877 18167 11869 1 13 . 1 1 46 46 VAL N N 64 115.687 115.687 117.465 -1.778 18167 11870 1 13 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.107 0.203 18167 11871 1 13 . 1 1 46 46 VAL C C 64 172.853 172.853 173.719 -0.866 18167 11872 1 13 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.954 0.217 18167 11873 1 13 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.942 -0.034 18167 11874 1 13 . 1 1 46 46 VAL H H 64 7.314 7.314 7.322 -0.008 18167 11875 1 13 . 1 1 47 47 VAL N N 65 124.933 124.933 123.647 1.286 18167 11876 1 13 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.229 0.827 18167 11877 1 13 . 1 1 47 47 VAL C C 65 175.266 175.266 174.026 1.240 18167 11878 1 13 . 1 1 47 47 VAL CA C 65 61.082 61.082 60.866 0.216 18167 11879 1 13 . 1 1 47 47 VAL CB C 65 36.667 36.667 33.056 3.611 18167 11880 1 13 . 1 1 47 47 VAL H H 65 8.146 8.146 7.777 0.369 18167 11881 1 13 . 1 1 48 48 PHE N N 66 122.916 122.916 126.955 -4.039 18167 11882 1 13 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.271 0.220 18167 11883 1 13 . 1 1 48 48 PHE C C 66 174.371 174.371 174.661 -0.290 18167 11884 1 13 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.430 0.099 18167 11885 1 13 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.165 1.994 18167 11886 1 13 . 1 1 48 48 PHE H H 66 8.469 8.469 8.646 -0.177 18167 11887 1 13 . 1 1 49 49 ARG N N 67 116.381 116.381 120.401 -4.020 18167 11888 1 13 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.488 0.017 18167 11889 1 13 . 1 1 49 49 ARG C C 67 173.455 173.455 173.600 -0.145 18167 11890 1 13 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.422 -0.588 18167 11891 1 13 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.268 0.630 18167 11892 1 13 . 1 1 49 49 ARG H H 67 9.271 9.271 8.692 0.579 18167 11893 1 13 . 1 1 50 50 ASP N N 68 121.066 121.066 121.827 -0.761 18167 11894 1 13 . 1 1 50 50 ASP HA H 68 4.051 4.051 3.850 0.201 18167 11895 1 13 . 1 1 50 50 ASP C C 68 176.670 176.670 175.830 0.840 18167 11896 1 13 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.262 2.354 18167 11897 1 13 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.828 1.073 18167 11898 1 13 . 1 1 50 50 ASP H H 68 7.165 7.165 8.304 -1.139 18167 11899 1 13 . 1 1 51 51 LEU N N 69 124.078 124.078 125.917 -1.839 18167 11900 1 13 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.126 -0.101 18167 11901 1 13 . 1 1 51 51 LEU C C 69 177.463 177.463 177.504 -0.041 18167 11902 1 13 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.118 0.290 18167 11903 1 13 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.410 0.739 18167 11904 1 13 . 1 1 51 51 LEU H H 69 8.314 8.314 8.625 -0.311 18167 11905 1 13 . 1 1 52 52 ILE N N 70 118.341 118.341 116.647 1.694 18167 11906 1 13 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.951 0.122 18167 11907 1 13 . 1 1 52 52 ILE C C 70 177.093 177.093 176.830 0.263 18167 11908 1 13 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.149 -1.291 18167 11909 1 13 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.605 1.015 18167 11910 1 13 . 1 1 52 52 ILE H H 70 8.178 8.178 7.733 0.445 18167 11911 1 13 . 1 1 53 53 GLU N N 71 122.254 122.254 117.843 4.411 18167 11912 1 13 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.496 -0.112 18167 11913 1 13 . 1 1 53 53 GLU C C 71 176.084 176.084 175.579 0.505 18167 11914 1 13 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.160 -0.352 18167 11915 1 13 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.960 -1.202 18167 11916 1 13 . 1 1 53 53 GLU H H 71 8.974 8.974 8.425 0.549 18167 11917 1 13 . 1 1 54 54 ARG N N 72 121.414 121.414 122.996 -1.582 18167 11918 1 13 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.030 -0.048 18167 11919 1 13 . 1 1 54 54 ARG C C 72 176.478 176.478 176.690 -0.212 18167 11920 1 13 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.969 -0.729 18167 11921 1 13 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.655 -0.691 18167 11922 1 13 . 1 1 54 54 ARG H H 72 8.052 8.052 8.383 -0.331 18167 11923 1 13 . 1 1 55 55 ASP N N 73 117.425 117.425 116.937 0.488 18167 11924 1 13 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.473 -0.022 18167 11925 1 13 . 1 1 55 55 ASP C C 73 173.783 173.783 176.140 -2.357 18167 11926 1 13 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.035 -0.961 18167 11927 1 13 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.211 0.531 18167 11928 1 13 . 1 1 55 55 ASP H H 73 8.455 8.455 8.223 0.232 18167 11929 1 13 . 1 1 56 56 GLU N N 74 124.050 124.050 119.659 4.391 18167 11930 1 13 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.583 0.916 18167 11931 1 13 . 1 1 56 56 GLU C C 74 174.110 174.110 175.216 -1.106 18167 11932 1 13 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.088 0.390 18167 11933 1 13 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.024 2.422 18167 11934 1 13 . 1 1 56 56 GLU H H 74 7.773 7.773 8.032 -0.259 18167 11935 1 13 . 1 1 57 57 ASN N N 75 119.794 119.794 123.833 -4.039 18167 11936 1 13 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.913 -0.150 18167 11937 1 13 . 1 1 57 57 ASN C C 75 171.893 171.893 173.156 -1.263 18167 11938 1 13 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.450 0.513 18167 11939 1 13 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.235 0.134 18167 11940 1 13 . 1 1 57 57 ASN H H 75 8.891 8.891 8.648 0.243 18167 11941 1 13 . 1 1 58 58 LEU N N 76 116.438 116.438 123.291 -6.853 18167 11942 1 13 . 1 1 58 58 LEU HA H 76 5.341 5.341 4.989 0.352 18167 11943 1 13 . 1 1 58 58 LEU C C 76 174.630 174.630 174.932 -0.302 18167 11944 1 13 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.011 -0.183 18167 11945 1 13 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.621 0.258 18167 11946 1 13 . 1 1 58 58 LEU H H 76 9.166 9.166 8.417 0.749 18167 11947 1 13 . 1 1 59 59 SER N N 77 114.543 114.543 120.271 -5.728 18167 11948 1 13 . 1 1 59 59 SER HA H 77 5.432 5.432 4.834 0.598 18167 11949 1 13 . 1 1 59 59 SER C C 77 172.602 172.602 172.506 0.096 18167 11950 1 13 . 1 1 59 59 SER CA C 77 56.593 56.593 57.282 -0.689 18167 11951 1 13 . 1 1 59 59 SER CB C 77 66.720 66.720 65.829 0.891 18167 11952 1 13 . 1 1 59 59 SER H H 77 8.352 8.352 8.609 -0.257 18167 11953 1 13 . 1 1 60 60 VAL N N 78 122.017 122.017 122.962 -0.945 18167 11954 1 13 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.428 0.541 18167 11955 1 13 . 1 1 60 60 VAL C C 78 174.861 174.861 174.506 0.355 18167 11956 1 13 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.926 0.258 18167 11957 1 13 . 1 1 60 60 VAL CB C 78 33.312 33.312 34.105 -0.793 18167 11958 1 13 . 1 1 60 60 VAL H H 78 8.306 8.306 8.032 0.274 18167 11959 1 13 . 1 1 61 61 ILE N N 79 128.458 128.458 127.029 1.429 18167 11960 1 13 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.596 0.125 18167 11961 1 13 . 1 1 61 61 ILE C C 79 175.639 175.639 174.547 1.092 18167 11962 1 13 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.383 -0.139 18167 11963 1 13 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.610 0.676 18167 11964 1 13 . 1 1 61 61 ILE H H 79 9.193 9.193 8.223 0.970 18167 11965 1 13 . 1 1 62 62 ILE N N 80 129.957 129.957 127.276 2.681 18167 11966 1 13 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.974 0.068 18167 11967 1 13 . 1 1 62 62 ILE C C 80 175.727 175.727 174.922 0.805 18167 11968 1 13 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.880 0.278 18167 11969 1 13 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.493 -0.716 18167 11970 1 13 . 1 1 62 62 ILE H H 80 9.140 9.140 9.031 0.109 18167 11971 1 13 . 1 1 63 63 SER N N 81 122.084 122.084 120.875 1.209 18167 11972 1 13 . 1 1 63 63 SER HA H 81 4.878 4.878 4.779 0.099 18167 11973 1 13 . 1 1 63 63 SER C C 81 172.933 172.933 172.252 0.681 18167 11974 1 13 . 1 1 63 63 SER CA C 81 56.689 56.689 57.202 -0.513 18167 11975 1 13 . 1 1 63 63 SER CB C 81 65.862 65.862 66.712 -0.850 18167 11976 1 13 . 1 1 63 63 SER H H 81 9.079 9.079 9.118 -0.039 18167 11977 1 13 . 1 1 64 64 GLU N N 82 121.983 121.983 121.375 0.608 18167 11978 1 13 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.550 0.042 18167 11979 1 13 . 1 1 64 64 GLU C C 82 176.501 176.501 175.734 0.767 18167 11980 1 13 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.212 1.629 18167 11981 1 13 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.938 -0.428 18167 11982 1 13 . 1 1 64 64 GLU H H 82 8.664 8.664 8.510 0.154 18167 11983 1 13 . 1 1 65 65 ILE N N 83 121.194 121.194 119.438 1.756 18167 11984 1 13 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.673 -0.096 18167 11985 1 13 . 1 1 65 65 ILE C C 83 173.233 173.233 174.089 -0.856 18167 11986 1 13 . 1 1 65 65 ILE CA C 83 58.798 58.798 57.958 0.840 18167 11987 1 13 . 1 1 65 65 ILE CB C 83 39.488 39.488 39.202 0.286 18167 11988 1 13 . 1 1 65 65 ILE H H 83 8.271 8.271 8.186 0.085 18167 11989 1 13 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.716 -0.265 18167 11990 1 13 . 1 1 66 66 PRO C C 84 177.697 177.697 177.434 0.263 18167 11991 1 13 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.491 0.706 18167 11992 1 13 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.385 -0.320 18167 11993 1 13 . 1 1 67 67 SER N N 85 116.018 116.018 118.059 -2.041 18167 11994 1 13 . 1 1 67 67 SER HA H 85 4.149 4.149 4.198 -0.049 18167 11995 1 13 . 1 1 67 67 SER C C 85 174.387 174.387 175.326 -0.939 18167 11996 1 13 . 1 1 67 67 SER CA C 85 60.348 60.348 60.634 -0.286 18167 11997 1 13 . 1 1 67 67 SER CB C 85 63.402 63.402 62.770 0.632 18167 11998 1 13 . 1 1 67 67 SER H H 85 8.465 8.465 8.466 -0.001 18167 11999 1 13 . 1 1 68 68 ASP N N 86 118.568 118.568 120.859 -2.291 18167 12000 1 13 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.565 -0.007 18167 12001 1 13 . 1 1 68 68 ASP C C 86 175.732 175.732 175.886 -0.154 18167 12002 1 13 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.042 -1.232 18167 12003 1 13 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.149 -0.931 18167 12004 1 13 . 1 1 68 68 ASP H H 86 8.531 8.531 8.430 0.101 18167 12005 1 13 . 1 1 69 69 LYS N N 87 119.225 119.225 117.171 2.054 18167 12006 1 13 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.632 0.050 18167 12007 1 13 . 1 1 69 69 LYS C C 87 175.814 175.814 174.825 0.989 18167 12008 1 13 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.194 -0.333 18167 12009 1 13 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.897 -2.191 18167 12010 1 13 . 1 1 69 69 LYS H H 87 7.653 7.653 7.380 0.273 18167 12011 1 13 . 1 1 70 70 THR N N 88 113.175 113.175 114.192 -1.017 18167 12012 1 13 . 1 1 70 70 THR HA H 88 4.529 4.529 4.555 -0.026 18167 12013 1 13 . 1 1 70 70 THR C C 88 175.278 175.278 175.610 -0.332 18167 12014 1 13 . 1 1 70 70 THR CA C 88 60.699 60.699 59.770 0.929 18167 12015 1 13 . 1 1 70 70 THR CB C 88 70.710 70.710 70.795 -0.085 18167 12016 1 13 . 1 1 70 70 THR H H 88 8.608 8.608 8.145 0.463 18167 12017 1 13 . 1 1 71 71 LEU N N 89 121.978 121.978 122.803 -0.825 18167 12018 1 13 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.950 -0.013 18167 12019 1 13 . 1 1 71 71 LEU C C 89 177.698 177.698 177.699 -0.001 18167 12020 1 13 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.355 -0.591 18167 12021 1 13 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.523 0.972 18167 12022 1 13 . 1 1 71 71 LEU H H 89 7.998 7.998 8.670 -0.672 18167 12023 1 13 . 1 1 72 72 THR N N 90 106.680 106.680 109.610 -2.930 18167 12024 1 13 . 1 1 72 72 THR HA H 90 4.221 4.221 4.003 0.218 18167 12025 1 13 . 1 1 72 72 THR C C 90 176.248 176.248 175.329 0.919 18167 12026 1 13 . 1 1 72 72 THR CA C 90 63.648 63.648 65.135 -1.487 18167 12027 1 13 . 1 1 72 72 THR CB C 90 68.620 68.620 68.121 0.499 18167 12028 1 13 . 1 1 72 72 THR H H 90 7.798 7.798 7.924 -0.126 18167 12029 1 13 . 1 1 73 73 ASP N N 91 120.626 120.626 120.417 0.209 18167 12030 1 13 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.497 0.113 18167 12031 1 13 . 1 1 73 73 ASP C C 91 177.133 177.133 178.288 -1.155 18167 12032 1 13 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.407 0.194 18167 12033 1 13 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.730 0.943 18167 12034 1 13 . 1 1 73 73 ASP H H 91 7.805 7.805 7.964 -0.159 18167 12035 1 13 . 1 1 74 74 LEU N N 92 120.238 120.238 119.577 0.661 18167 12036 1 13 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.047 0.174 18167 12037 1 13 . 1 1 74 74 LEU C C 92 176.907 176.907 176.450 0.457 18167 12038 1 13 . 1 1 74 74 LEU CA C 92 55.643 55.643 57.006 -1.363 18167 12039 1 13 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.693 -1.369 18167 12040 1 13 . 1 1 74 74 LEU H H 92 8.182 8.182 8.060 0.122 18167 12041 1 13 . 1 1 75 75 GLY N N 93 105.772 105.772 101.600 4.172 18167 12042 1 13 . 1 1 75 75 GLY C C 93 173.853 173.853 171.774 2.079 18167 12043 1 13 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.559 -0.531 18167 12044 1 13 . 1 1 75 75 GLY H H 93 7.713 7.713 7.421 0.292 18167 12045 1 13 . 1 1 76 76 THR N N 94 111.354 111.354 109.529 1.825 18167 12046 1 13 . 1 1 76 76 THR HA H 94 4.426 4.426 4.806 -0.380 18167 12047 1 13 . 1 1 76 76 THR C C 94 174.396 174.396 175.994 -1.598 18167 12048 1 13 . 1 1 76 76 THR CA C 94 61.220 61.220 59.845 1.375 18167 12049 1 13 . 1 1 76 76 THR CB C 94 71.400 71.400 72.047 -0.647 18167 12050 1 13 . 1 1 76 76 THR H H 94 8.842 8.842 8.194 0.648 18167 12051 1 13 . 1 1 77 77 ALA N N 95 122.586 122.586 123.589 -1.003 18167 12052 1 13 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.821 -0.495 18167 12053 1 13 . 1 1 77 77 ALA C C 95 179.120 179.120 179.371 -0.251 18167 12054 1 13 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.417 0.207 18167 12055 1 13 . 1 1 77 77 ALA CB C 95 16.979 16.979 18.051 -1.072 18167 12056 1 13 . 1 1 77 77 ALA H H 95 8.861 8.861 8.877 -0.016 18167 12057 1 13 . 1 1 78 78 THR N N 96 110.298 110.298 115.404 -5.106 18167 12058 1 13 . 1 1 78 78 THR HA H 96 3.479 3.479 3.899 -0.420 18167 12059 1 13 . 1 1 78 78 THR C C 96 175.297 175.297 176.570 -1.273 18167 12060 1 13 . 1 1 78 78 THR CA C 96 66.314 66.314 66.341 -0.027 18167 12061 1 13 . 1 1 78 78 THR CB C 96 68.335 68.335 68.712 -0.377 18167 12062 1 13 . 1 1 78 78 THR H H 96 7.757 7.757 7.793 -0.036 18167 12063 1 13 . 1 1 79 79 ASP N N 97 122.829 122.829 122.330 0.499 18167 12064 1 13 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.555 -0.143 18167 12065 1 13 . 1 1 79 79 ASP C C 97 179.693 179.693 178.630 1.063 18167 12066 1 13 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.932 0.062 18167 12067 1 13 . 1 1 79 79 ASP CB C 97 40.531 40.531 41.053 -0.522 18167 12068 1 13 . 1 1 79 79 ASP H H 97 7.448 7.448 8.010 -0.562 18167 12069 1 13 . 1 1 80 80 VAL N N 98 121.175 121.175 119.555 1.620 18167 12070 1 13 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.785 -0.303 18167 12071 1 13 . 1 1 80 80 VAL C C 98 178.667 178.667 178.375 0.292 18167 12072 1 13 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.590 -0.033 18167 12073 1 13 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.546 -0.038 18167 12074 1 13 . 1 1 80 80 VAL H H 98 8.390 8.390 8.740 -0.350 18167 12075 1 13 . 1 1 81 81 GLY N N 99 108.920 108.920 108.196 0.724 18167 12076 1 13 . 1 1 81 81 GLY C C 99 175.133 175.133 176.167 -1.034 18167 12077 1 13 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.469 1.581 18167 12078 1 13 . 1 1 81 81 GLY H H 99 8.630 8.630 7.991 0.639 18167 12079 1 13 . 1 1 82 82 TYR N N 100 121.598 121.598 122.174 -0.576 18167 12080 1 13 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.324 0.004 18167 12081 1 13 . 1 1 82 82 TYR C C 100 179.383 179.383 178.562 0.821 18167 12082 1 13 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.528 0.211 18167 12083 1 13 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.227 -1.128 18167 12084 1 13 . 1 1 82 82 TYR H H 100 8.880 8.880 8.021 0.859 18167 12085 1 13 . 1 1 83 83 ARG N N 101 121.436 121.436 118.848 2.588 18167 12086 1 13 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.028 0.059 18167 12087 1 13 . 1 1 83 83 ARG C C 101 178.906 178.906 178.737 0.169 18167 12088 1 13 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.769 0.778 18167 12089 1 13 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.654 -0.031 18167 12090 1 13 . 1 1 83 83 ARG H H 101 8.102 8.102 8.140 -0.038 18167 12091 1 13 . 1 1 84 84 PHE N N 102 121.581 121.581 122.559 -0.978 18167 12092 1 13 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.211 0.176 18167 12093 1 13 . 1 1 84 84 PHE C C 102 177.731 177.731 177.290 0.441 18167 12094 1 13 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.405 -1.399 18167 12095 1 13 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.959 -0.718 18167 12096 1 13 . 1 1 84 84 PHE H H 102 8.511 8.511 8.625 -0.114 18167 12097 1 13 . 1 1 85 85 MET N N 103 117.909 117.909 118.142 -0.233 18167 12098 1 13 . 1 1 85 85 MET HA H 103 3.850 3.850 3.806 0.044 18167 12099 1 13 . 1 1 85 85 MET C C 103 178.063 178.063 178.340 -0.277 18167 12100 1 13 . 1 1 85 85 MET CA C 103 57.352 57.352 57.693 -0.341 18167 12101 1 13 . 1 1 85 85 MET CB C 103 33.654 33.654 31.105 2.549 18167 12102 1 13 . 1 1 85 85 MET H H 103 8.350 8.350 7.780 0.570 18167 12103 1 13 . 1 1 86 86 LYS N N 104 118.874 118.874 120.263 -1.389 18167 12104 1 13 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.946 0.058 18167 12105 1 13 . 1 1 86 86 LYS C C 104 177.910 177.910 178.967 -1.057 18167 12106 1 13 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.957 -0.509 18167 12107 1 13 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.331 -0.646 18167 12108 1 13 . 1 1 86 86 LYS H H 104 7.578 7.578 7.728 -0.150 18167 12109 1 13 . 1 1 87 87 THR N N 105 114.567 114.567 116.118 -1.551 18167 12110 1 13 . 1 1 87 87 THR HA H 105 3.949 3.949 3.939 0.010 18167 12111 1 13 . 1 1 87 87 THR C C 105 176.912 176.912 176.092 0.820 18167 12112 1 13 . 1 1 87 87 THR CA C 105 66.108 66.108 66.373 -0.265 18167 12113 1 13 . 1 1 87 87 THR CB C 105 68.909 68.909 68.755 0.154 18167 12114 1 13 . 1 1 87 87 THR H H 105 7.667 7.667 7.959 -0.292 18167 12115 1 13 . 1 1 88 88 VAL N N 106 122.160 122.160 118.826 3.334 18167 12116 1 13 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.418 0.073 18167 12117 1 13 . 1 1 88 88 VAL C C 106 178.950 178.950 178.125 0.825 18167 12118 1 13 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.436 0.387 18167 12119 1 13 . 1 1 88 88 VAL CB C 106 31.509 31.509 30.913 0.596 18167 12120 1 13 . 1 1 88 88 VAL H H 106 7.600 7.600 7.872 -0.272 18167 12121 1 13 . 1 1 89 89 ASN N N 107 120.741 120.741 119.879 0.862 18167 12122 1 13 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.418 0.072 18167 12123 1 13 . 1 1 89 89 ASN C C 107 178.483 178.483 177.189 1.294 18167 12124 1 13 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.322 0.620 18167 12125 1 13 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.762 0.128 18167 12126 1 13 . 1 1 89 89 ASN H H 107 8.501 8.501 8.412 0.089 18167 12127 1 13 . 1 1 90 90 ASP N N 108 121.211 121.211 119.985 1.226 18167 12128 1 13 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.345 0.135 18167 12129 1 13 . 1 1 90 90 ASP C C 108 177.598 177.598 177.140 0.458 18167 12130 1 13 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.764 -0.397 18167 12131 1 13 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.050 0.192 18167 12132 1 13 . 1 1 90 90 ASP H H 108 8.824 8.824 8.570 0.254 18167 12133 1 13 . 1 1 91 91 ALA N N 109 121.181 121.181 120.326 0.855 18167 12134 1 13 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.349 0.043 18167 12135 1 13 . 1 1 91 91 ALA C C 109 177.936 177.936 178.073 -0.137 18167 12136 1 13 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.595 -0.903 18167 12137 1 13 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.813 -0.924 18167 12138 1 13 . 1 1 91 91 ALA H H 109 7.507 7.507 7.404 0.103 18167 12139 1 13 . 1 1 92 92 SER N N 110 113.785 113.785 113.152 0.633 18167 12140 1 13 . 1 1 92 92 SER HA H 110 4.537 4.537 4.512 0.025 18167 12141 1 13 . 1 1 92 92 SER C C 110 174.252 174.252 175.247 -0.995 18167 12142 1 13 . 1 1 92 92 SER CA C 110 58.565 58.565 58.015 0.550 18167 12143 1 13 . 1 1 92 92 SER CB C 110 64.795 64.795 64.095 0.700 18167 12144 1 13 . 1 1 92 92 SER H H 110 7.611 7.611 7.617 -0.006 18167 12145 1 13 . 1 1 93 93 GLN N N 111 119.994 119.994 122.694 -2.700 18167 12146 1 13 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.150 0.273 18167 12147 1 13 . 1 1 93 93 GLN C C 111 176.441 176.441 177.459 -1.018 18167 12148 1 13 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.421 -2.629 18167 12149 1 13 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.651 0.192 18167 12150 1 13 . 1 1 93 93 GLN H H 111 8.414 8.414 8.236 0.178 18167 12151 1 13 . 1 1 94 94 GLY N N 112 107.948 107.948 107.209 0.739 18167 12152 1 13 . 1 1 94 94 GLY C C 112 174.406 174.406 175.154 -0.748 18167 12153 1 13 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.959 -1.017 18167 12154 1 13 . 1 1 94 94 GLY H H 112 8.467 8.467 8.525 -0.058 18167 12155 1 13 . 1 1 95 95 ASP N N 113 119.500 119.500 119.810 -0.310 18167 12156 1 13 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.771 -0.215 18167 12157 1 13 . 1 1 95 95 ASP C C 113 175.438 175.438 176.183 -0.745 18167 12158 1 13 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.612 0.068 18167 12159 1 13 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.476 -2.282 18167 12160 1 13 . 1 1 95 95 ASP H H 113 8.423 8.423 8.033 0.390 18167 12161 1 13 . 1 1 96 96 ARG N N 114 118.992 118.992 120.732 -1.740 18167 12162 1 13 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.630 0.431 18167 12163 1 13 . 1 1 96 96 ARG C C 114 175.699 175.699 174.903 0.796 18167 12164 1 13 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.399 -1.356 18167 12165 1 13 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.136 1.504 18167 12166 1 13 . 1 1 96 96 ARG H H 114 7.507 7.507 7.667 -0.160 18167 12167 1 13 . 1 1 97 97 GLN N N 115 121.149 121.149 120.873 0.276 18167 12168 1 13 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.672 -0.003 18167 12169 1 13 . 1 1 97 97 GLN C C 115 173.696 173.696 174.084 -0.388 18167 12170 1 13 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.374 0.183 18167 12171 1 13 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.601 -1.528 18167 12172 1 13 . 1 1 97 97 GLN H H 115 8.814 8.814 8.246 0.568 18167 12173 1 13 . 1 1 98 98 ALA N N 116 129.789 129.789 125.763 4.026 18167 12174 1 13 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.266 0.050 18167 12175 1 13 . 1 1 98 98 ALA C C 116 176.503 176.503 176.372 0.131 18167 12176 1 13 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.249 0.564 18167 12177 1 13 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.608 0.434 18167 12178 1 13 . 1 1 98 98 ALA H H 116 9.836 9.836 8.541 1.295 18167 12179 1 13 . 1 1 99 99 GLU N N 117 122.780 122.780 123.289 -0.509 18167 12180 1 13 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.627 -0.024 18167 12181 1 13 . 1 1 99 99 GLU C C 117 174.361 174.361 175.284 -0.923 18167 12182 1 13 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.447 -0.127 18167 12183 1 13 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.974 0.338 18167 12184 1 13 . 1 1 99 99 GLU H H 117 9.252 9.252 8.270 0.982 18167 12185 1 13 . 1 1 100 100 LEU N N 118 127.043 127.043 128.829 -1.786 18167 12186 1 13 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.365 -0.058 18167 12187 1 13 . 1 1 100 100 LEU C C 118 176.338 176.338 176.747 -0.409 18167 12188 1 13 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.888 0.634 18167 12189 1 13 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.778 0.863 18167 12190 1 13 . 1 1 100 100 LEU H H 118 8.765 8.765 8.837 -0.072 18167 12191 1 13 . 1 1 101 101 ILE N N 119 128.101 128.101 127.077 1.024 18167 12192 1 13 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.823 0.273 18167 12193 1 13 . 1 1 101 101 ILE C C 119 175.634 175.634 176.619 -0.985 18167 12194 1 13 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.316 -0.913 18167 12195 1 13 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.538 0.520 18167 12196 1 13 . 1 1 101 101 ILE H H 119 9.244 9.244 8.564 0.680 18167 12197 1 13 . 1 1 102 102 ASN N N 120 114.715 114.715 114.427 0.288 18167 12198 1 13 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.767 0.188 18167 12199 1 13 . 1 1 102 102 ASN C C 120 172.326 172.326 172.726 -0.400 18167 12200 1 13 . 1 1 102 102 ASN CA C 120 53.373 53.373 53.041 0.332 18167 12201 1 13 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.911 0.976 18167 12202 1 13 . 1 1 102 102 ASN H H 120 7.989 7.989 7.865 0.124 18167 12203 1 13 . 1 1 103 103 ALA N N 121 125.011 125.011 122.305 2.706 18167 12204 1 13 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.232 0.225 18167 12205 1 13 . 1 1 103 103 ALA C C 121 175.068 175.068 175.558 -0.490 18167 12206 1 13 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.468 -0.109 18167 12207 1 13 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.728 0.681 18167 12208 1 13 . 1 1 103 103 ALA H H 121 8.182 8.182 8.370 -0.188 18167 12209 1 13 . 1 1 104 104 GLU N N 122 121.148 121.148 120.227 0.921 18167 12210 1 13 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.534 0.161 18167 12211 1 13 . 1 1 104 104 GLU C C 122 173.666 173.666 174.122 -0.456 18167 12212 1 13 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.743 0.350 18167 12213 1 13 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.663 -0.153 18167 12214 1 13 . 1 1 104 104 GLU H H 122 8.817 8.817 8.598 0.219 18167 12215 1 13 . 1 1 105 105 ALA N N 123 124.441 124.441 123.082 1.359 18167 12216 1 13 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.412 0.115 18167 12217 1 13 . 1 1 105 105 ALA C C 123 176.479 176.479 176.544 -0.065 18167 12218 1 13 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.747 0.384 18167 12219 1 13 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.911 0.940 18167 12220 1 13 . 1 1 105 105 ALA H H 123 8.860 8.860 8.383 0.477 18167 12221 1 13 . 1 1 106 106 ARG N N 124 120.892 120.892 119.849 1.043 18167 12222 1 13 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.748 0.075 18167 12223 1 13 . 1 1 106 106 ARG C C 124 172.820 172.820 174.670 -1.850 18167 12224 1 13 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.263 0.509 18167 12225 1 13 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.917 -0.647 18167 12226 1 13 . 1 1 106 106 ARG H H 124 9.209 9.209 8.933 0.276 18167 12227 1 13 . 1 1 107 107 ASP N N 125 122.706 122.706 123.814 -1.108 18167 12228 1 13 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.508 -0.269 18167 12229 1 13 . 1 1 107 107 ASP C C 125 176.097 176.097 175.587 0.510 18167 12230 1 13 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.486 -0.542 18167 12231 1 13 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.899 1.239 18167 12232 1 13 . 1 1 107 107 ASP H H 125 8.633 8.633 8.672 -0.039 18167 12233 1 13 . 1 1 108 108 GLU N N 126 126.120 126.120 124.086 2.034 18167 12234 1 13 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.656 0.049 18167 12235 1 13 . 1 1 108 108 GLU C C 126 175.768 175.768 176.108 -0.340 18167 12236 1 13 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.413 -0.396 18167 12237 1 13 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.631 -3.207 18167 12238 1 13 . 1 1 108 108 GLU H H 126 9.152 9.152 9.241 -0.089 18167 12239 1 13 . 1 1 109 109 ASP N N 127 126.277 126.277 123.036 3.241 18167 12240 1 13 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.395 -0.041 18167 12241 1 13 . 1 1 109 109 ASP C C 127 175.414 175.414 176.554 -1.140 18167 12242 1 13 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.040 0.350 18167 12243 1 13 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.315 0.927 18167 12244 1 13 . 1 1 109 109 ASP H H 127 9.067 9.067 9.172 -0.105 18167 12245 1 13 . 1 1 110 110 GLY N N 128 106.859 106.859 102.551 4.308 18167 12246 1 13 . 1 1 110 110 GLY C C 128 173.761 173.761 173.844 -0.083 18167 12247 1 13 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.500 -0.258 18167 12248 1 13 . 1 1 110 110 GLY H H 128 9.008 9.008 8.389 0.619 18167 12249 1 13 . 1 1 111 111 GLN N N 129 123.033 123.033 119.996 3.037 18167 12250 1 13 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.418 -0.035 18167 12251 1 13 . 1 1 111 111 GLN C C 129 173.901 173.901 174.346 -0.445 18167 12252 1 13 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.691 -0.755 18167 12253 1 13 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.532 -1.349 18167 12254 1 13 . 1 1 111 111 GLN H H 129 7.825 7.825 7.903 -0.078 18167 12255 1 13 . 1 1 112 112 VAL N N 130 128.263 128.263 127.123 1.140 18167 12256 1 13 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.804 0.068 18167 12257 1 13 . 1 1 112 112 VAL C C 130 175.591 175.591 174.670 0.921 18167 12258 1 13 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.362 0.741 18167 12259 1 13 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.714 -0.341 18167 12260 1 13 . 1 1 112 112 VAL H H 130 8.330 8.330 8.688 -0.358 18167 12261 1 13 . 1 1 113 113 TYR N N 131 126.702 126.702 125.101 1.601 18167 12262 1 13 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.873 0.177 18167 12263 1 13 . 1 1 113 113 TYR C C 131 175.477 175.477 174.776 0.701 18167 12264 1 13 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.238 0.185 18167 12265 1 13 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.552 0.937 18167 12266 1 13 . 1 1 113 113 TYR H H 131 9.136 9.136 9.305 -0.169 18167 12267 1 13 . 1 1 114 114 TYR N N 132 121.626 121.626 124.094 -2.468 18167 12268 1 13 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.068 0.762 18167 12269 1 13 . 1 1 114 114 TYR C C 132 175.368 175.368 175.498 -0.130 18167 12270 1 13 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.996 -1.928 18167 12271 1 13 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.527 -1.210 18167 12272 1 13 . 1 1 114 114 TYR H H 132 9.577 9.577 9.583 -0.006 18167 12273 1 13 . 1 1 115 115 THR N N 133 120.018 120.018 121.023 -1.005 18167 12274 1 13 . 1 1 115 115 THR HA H 133 5.486 5.486 4.623 0.863 18167 12275 1 13 . 1 1 115 115 THR C C 133 174.327 174.327 173.096 1.231 18167 12276 1 13 . 1 1 115 115 THR CA C 133 61.648 61.648 62.224 -0.576 18167 12277 1 13 . 1 1 115 115 THR CB C 133 69.622 69.622 69.821 -0.199 18167 12278 1 13 . 1 1 115 115 THR H H 133 9.351 9.351 9.323 0.028 18167 12279 1 13 . 1 1 116 116 LEU N N 134 127.249 127.249 128.390 -1.141 18167 12280 1 13 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.776 0.519 18167 12281 1 13 . 1 1 116 116 LEU C C 134 174.347 174.347 174.540 -0.193 18167 12282 1 13 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.326 -1.698 18167 12283 1 13 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.026 -0.491 18167 12284 1 13 . 1 1 116 116 LEU H H 134 10.010 10.010 9.494 0.516 18167 12285 1 13 . 1 1 117 117 GLU N N 135 124.969 124.969 125.048 -0.079 18167 12286 1 13 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.736 0.842 18167 12287 1 13 . 1 1 117 117 GLU C C 135 175.635 175.635 174.769 0.866 18167 12288 1 13 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.820 -0.681 18167 12289 1 13 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.678 -0.515 18167 12290 1 13 . 1 1 117 117 GLU H H 135 9.109 9.109 8.927 0.182 18167 12291 1 13 . 1 1 118 118 TYR N N 136 125.868 125.868 122.817 3.051 18167 12292 1 13 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.603 -0.328 18167 12293 1 13 . 1 1 118 118 TYR C C 136 170.317 170.317 172.723 -2.406 18167 12294 1 13 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.938 0.073 18167 12295 1 13 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.114 0.402 18167 12296 1 13 . 1 1 118 118 TYR H H 136 8.973 8.973 8.183 0.790 18167 12297 1 13 . 1 1 119 119 ARG N N 137 115.256 115.256 117.258 -2.002 18167 12298 1 13 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.598 0.479 18167 12299 1 13 . 1 1 119 119 ARG C C 137 173.643 173.643 174.204 -0.561 18167 12300 1 13 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.474 -1.351 18167 12301 1 13 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.556 -1.371 18167 12302 1 13 . 1 1 119 119 ARG H H 137 8.920 8.920 8.434 0.486 18167 12303 1 13 . 1 1 120 120 VAL N N 138 119.767 119.767 120.926 -1.159 18167 12304 1 13 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.618 0.168 18167 12305 1 13 . 1 1 120 120 VAL C C 138 174.355 174.355 174.778 -0.423 18167 12306 1 13 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.340 0.443 18167 12307 1 13 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.871 0.291 18167 12308 1 13 . 1 1 120 120 VAL H H 138 8.430 8.430 8.625 -0.195 18167 12309 1 13 . 1 1 121 121 LEU N N 139 129.915 129.915 125.225 4.690 18167 12310 1 13 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.265 -0.180 18167 12311 1 13 . 1 1 121 121 LEU C C 139 176.376 176.376 174.750 1.626 18167 12312 1 13 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.150 0.509 18167 12313 1 13 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.504 -1.382 18167 12314 1 13 . 1 1 121 121 LEU H H 139 9.333 9.333 8.368 0.965 18167 12315 1 13 . 1 1 122 122 VAL N N 140 120.956 120.956 122.080 -1.124 18167 12316 1 13 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.290 0.085 18167 12317 1 13 . 1 1 122 122 VAL C C 140 177.264 177.264 177.220 0.044 18167 12318 1 13 . 1 1 122 122 VAL CA C 140 61.468 61.468 61.279 0.189 18167 12319 1 13 . 1 1 122 122 VAL CB C 140 32.874 32.874 31.243 1.631 18167 12320 1 13 . 1 1 122 122 VAL H H 140 8.655 8.655 8.606 0.049 18167 12321 1 13 . 1 1 123 123 GLY N N 141 119.059 119.059 119.009 0.050 18167 12322 1 13 . 1 1 123 123 GLY C C 141 174.482 174.482 174.096 0.386 18167 12323 1 13 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.856 0.312 18167 12324 1 13 . 1 1 123 123 GLY H H 141 8.940 8.940 8.206 0.734 18167 12325 1 13 . 1 1 124 124 ASP N N 142 124.652 124.652 124.712 -0.060 18167 12326 1 13 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.694 -0.060 18167 12327 1 13 . 1 1 124 124 ASP C C 142 175.588 175.588 175.043 0.545 18167 12328 1 13 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.374 1.016 18167 12329 1 13 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.483 -0.219 18167 12330 1 13 . 1 1 124 124 ASP H H 142 8.722 8.722 8.496 0.226 18167 12331 1 13 . 1 1 125 125 ASN N N 143 118.203 118.203 119.078 -0.875 18167 12332 1 13 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.993 -0.066 18167 12333 1 13 . 1 1 125 125 ASN C C 143 174.095 174.095 173.735 0.360 18167 12334 1 13 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.087 0.319 18167 12335 1 13 . 1 1 125 125 ASN CB C 143 41.063 41.063 40.719 0.344 18167 12336 1 13 . 1 1 125 125 ASN H H 143 8.023 8.023 8.325 -0.302 18167 12337 1 13 . 1 1 126 126 VAL N N 144 123.424 123.424 122.412 1.012 18167 12338 1 13 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.006 0.074 18167 12339 1 13 . 1 1 126 126 VAL C C 144 175.767 175.767 175.399 0.368 18167 12340 1 13 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.000 1.309 18167 12341 1 13 . 1 1 126 126 VAL H H 144 8.857 8.857 8.593 0.264 18167 12342 1 13 . 1 1 127 127 GLU N N 145 130.709 130.709 129.311 1.398 18167 12343 1 13 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.160 0.245 18167 12344 1 13 . 1 1 127 127 GLU C C 145 176.522 176.522 176.155 0.367 18167 12345 1 13 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.511 -0.547 18167 12346 1 13 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.174 1.181 18167 12347 1 13 . 1 1 127 127 GLU H H 145 9.487 9.487 9.246 0.241 18167 12348 1 13 . 1 1 128 128 ARG N N 146 113.222 113.222 112.760 0.462 18167 12349 1 13 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.434 0.627 18167 12350 1 13 . 1 1 128 128 ARG C C 146 172.055 172.055 173.818 -1.763 18167 12351 1 13 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.225 -0.844 18167 12352 1 13 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.579 1.412 18167 12353 1 13 . 1 1 128 128 ARG H H 146 7.657 7.657 7.647 0.010 18167 12354 1 13 . 1 1 129 129 HIS N N 147 125.158 125.158 117.446 7.712 18167 12355 1 13 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.388 0.244 18167 12356 1 13 . 1 1 129 129 HIS C C 147 172.407 172.407 172.973 -0.566 18167 12357 1 13 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.788 -0.592 18167 12358 1 13 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.431 0.505 18167 12359 1 13 . 1 1 129 129 HIS H H 147 9.295 9.295 8.042 1.253 18167 12360 1 13 . 1 1 130 130 ASP N N 148 122.383 122.383 121.598 0.785 18167 12361 1 13 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.281 0.846 18167 12362 1 13 . 1 1 130 130 ASP C C 148 174.350 174.350 173.752 0.598 18167 12363 1 13 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.676 -0.729 18167 12364 1 13 . 1 1 130 130 ASP CB C 148 42.968 42.968 43.950 -0.982 18167 12365 1 13 . 1 1 130 130 ASP H H 148 8.879 8.879 7.917 0.962 18167 12366 1 13 . 1 1 131 131 LEU N N 149 121.444 121.444 124.731 -3.287 18167 12367 1 13 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.915 0.374 18167 12368 1 13 . 1 1 131 131 LEU C C 149 174.289 174.289 174.239 0.050 18167 12369 1 13 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.300 0.558 18167 12370 1 13 . 1 1 131 131 LEU CB C 149 47.868 47.868 45.836 2.032 18167 12371 1 13 . 1 1 131 131 LEU H H 149 8.916 8.916 8.445 0.471 18167 12372 1 13 . 1 1 132 132 ALA N N 150 128.498 128.498 129.277 -0.779 18167 12373 1 13 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.555 0.475 18167 12374 1 13 . 1 1 132 132 ALA C C 150 176.044 176.044 175.432 0.612 18167 12375 1 13 . 1 1 132 132 ALA CA C 150 49.401 49.401 49.868 -0.467 18167 12376 1 13 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.494 -0.671 18167 12377 1 13 . 1 1 132 132 ALA H H 150 9.920 9.920 9.267 0.653 18167 12378 1 13 . 1 1 133 133 SER N N 151 116.937 116.937 117.889 -0.952 18167 12379 1 13 . 1 1 133 133 SER HA H 151 5.812 5.812 5.476 0.336 18167 12380 1 13 . 1 1 133 133 SER C C 151 173.367 173.367 173.402 -0.035 18167 12381 1 13 . 1 1 133 133 SER CA C 151 56.394 56.394 56.494 -0.100 18167 12382 1 13 . 1 1 133 133 SER CB C 151 65.448 65.448 64.843 0.605 18167 12383 1 13 . 1 1 133 133 SER H H 151 9.360 9.360 8.507 0.853 18167 12384 1 13 . 1 1 134 134 VAL N N 152 126.011 126.011 129.523 -3.512 18167 12385 1 13 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.729 0.680 18167 12386 1 13 . 1 1 134 134 VAL C C 152 175.735 175.735 175.091 0.644 18167 12387 1 13 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.520 -1.357 18167 12388 1 13 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.361 2.559 18167 12389 1 13 . 1 1 134 134 VAL H H 152 9.558 9.558 9.119 0.439 18167 12390 1 13 . 1 1 135 135 THR N N 153 118.998 118.998 123.759 -4.761 18167 12391 1 13 . 1 1 135 135 THR HA H 153 4.723 4.723 4.871 -0.148 18167 12392 1 13 . 1 1 135 135 THR C C 153 171.746 171.746 173.640 -1.894 18167 12393 1 13 . 1 1 135 135 THR CA C 153 61.221 61.221 60.875 0.346 18167 12394 1 13 . 1 1 135 135 THR CB C 153 69.300 69.300 72.423 -3.123 18167 12395 1 13 . 1 1 135 135 THR H H 153 8.960 8.960 9.040 -0.080 18167 12396 1 13 . 1 1 136 136 THR N N 154 109.883 109.883 117.519 -7.636 18167 12397 1 13 . 1 1 136 136 THR HA H 154 5.636 5.636 4.977 0.659 18167 12398 1 13 . 1 1 136 136 THR C C 154 173.904 173.904 174.371 -0.467 18167 12399 1 13 . 1 1 136 136 THR CA C 154 58.391 58.391 60.063 -1.672 18167 12400 1 13 . 1 1 136 136 THR CB C 154 71.387 71.387 69.903 1.484 18167 12401 1 13 . 1 1 136 136 THR H H 154 7.940 7.940 8.369 -0.429 18167 12402 1 13 . 1 1 137 137 ASN N N 155 115.138 115.138 122.189 -7.051 18167 12403 1 13 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.696 0.210 18167 12404 1 13 . 1 1 137 137 ASN C C 155 174.994 174.994 174.579 0.415 18167 12405 1 13 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.063 1.282 18167 12406 1 13 . 1 1 137 137 ASN CB C 155 41.807 41.807 39.806 2.001 18167 12407 1 13 . 1 1 137 137 ASN H H 155 8.938 8.938 8.657 0.281 18167 12408 1 13 . 1 1 138 138 ARG N N 156 125.040 125.040 126.722 -1.682 18167 12409 1 13 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.142 -0.185 18167 12410 1 13 . 1 1 138 138 ARG C C 156 175.870 175.870 176.362 -0.492 18167 12411 1 13 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.403 -0.279 18167 12412 1 13 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.956 -1.297 18167 12413 1 13 . 1 1 138 138 ARG H H 156 9.364 9.364 8.663 0.701 18167 12414 1 13 . 1 1 139 139 GLY N N 157 104.408 104.408 102.428 1.980 18167 12415 1 13 . 1 1 139 139 GLY C C 157 173.563 173.563 173.451 0.112 18167 12416 1 13 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.966 0.855 18167 12417 1 13 . 1 1 139 139 GLY H H 157 8.862 8.862 8.503 0.359 18167 12418 1 13 . 1 1 140 140 LYS N N 158 117.999 117.999 118.997 -0.998 18167 12419 1 13 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.652 0.308 18167 12420 1 13 . 1 1 140 140 LYS C C 158 174.527 174.527 174.944 -0.417 18167 12421 1 13 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.568 -0.846 18167 12422 1 13 . 1 1 140 140 LYS CB C 158 34.864 34.864 35.198 -0.334 18167 12423 1 13 . 1 1 140 140 LYS H H 158 7.718 7.718 7.568 0.150 18167 12424 1 13 . 1 1 141 141 LEU N N 159 124.332 124.332 125.496 -1.164 18167 12425 1 13 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.462 0.168 18167 12426 1 13 . 1 1 141 141 LEU C C 159 175.337 175.337 175.279 0.058 18167 12427 1 13 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.448 -0.210 18167 12428 1 13 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.397 0.475 18167 12429 1 13 . 1 1 141 141 LEU H H 159 9.006 9.006 9.088 -0.082 18167 12430 1 13 . 1 1 142 142 ILE N N 160 128.619 128.619 126.046 2.573 18167 12431 1 13 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.934 -0.205 18167 12432 1 13 . 1 1 142 142 ILE C C 160 173.414 173.414 175.111 -1.697 18167 12433 1 13 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.232 1.001 18167 12434 1 13 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.733 -0.550 18167 12435 1 13 . 1 1 142 142 ILE H H 160 9.129 9.129 9.015 0.114 18167 12436 1 13 . 1 1 143 143 THR N N 161 122.266 122.266 123.372 -1.106 18167 12437 1 13 . 1 1 143 143 THR HA H 161 4.797 4.797 5.284 -0.487 18167 12438 1 13 . 1 1 143 143 THR C C 161 171.903 171.903 173.133 -1.230 18167 12439 1 13 . 1 1 143 143 THR CA C 161 61.666 61.666 60.849 0.817 18167 12440 1 13 . 1 1 143 143 THR CB C 161 70.025 70.025 70.993 -0.967 18167 12441 1 13 . 1 1 143 143 THR H H 161 8.818 8.818 8.886 -0.068 18167 12442 1 13 . 1 1 144 144 PHE N N 162 130.742 130.742 127.639 3.103 18167 12443 1 13 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.759 0.031 18167 12444 1 13 . 1 1 144 144 PHE C C 162 173.404 173.404 173.596 -0.192 18167 12445 1 13 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.588 -1.368 18167 12446 1 13 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.285 -1.545 18167 12447 1 13 . 1 1 144 144 PHE H H 162 9.219 9.219 9.001 0.218 18167 12448 1 13 . 1 1 145 145 ASP N N 163 127.154 127.154 129.117 -1.963 18167 12449 1 13 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.372 -0.416 18167 12450 1 13 . 1 1 145 145 ASP C C 163 174.933 174.933 174.753 0.180 18167 12451 1 13 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.407 0.003 18167 12452 1 13 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.585 -0.261 18167 12453 1 13 . 1 1 145 145 ASP H H 163 8.862 8.862 8.430 0.432 18167 12454 1 13 . 1 1 146 146 LEU N N 164 131.658 131.658 127.675 3.983 18167 12455 1 13 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.896 -0.301 18167 12456 1 13 . 1 1 146 146 LEU C C 164 174.511 174.511 175.631 -1.120 18167 12457 1 13 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.445 -0.474 18167 12458 1 13 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.354 -2.257 18167 12459 1 13 . 1 1 146 146 LEU H H 164 8.938 8.938 9.023 -0.085 18167 12460 1 13 . 1 1 147 147 SER N N 165 114.966 114.966 120.106 -5.140 18167 12461 1 13 . 1 1 147 147 SER HA H 165 5.186 5.186 5.303 -0.117 18167 12462 1 13 . 1 1 147 147 SER C C 165 173.417 173.417 173.455 -0.038 18167 12463 1 13 . 1 1 147 147 SER CA C 165 56.600 56.600 57.774 -1.174 18167 12464 1 13 . 1 1 147 147 SER CB C 165 67.205 67.205 66.222 0.983 18167 12465 1 13 . 1 1 147 147 SER H H 165 8.995 8.995 8.622 0.373 18167 12466 1 13 . 1 1 148 148 THR N N 166 118.620 118.620 119.048 -0.428 18167 12467 1 13 . 1 1 148 148 THR HA H 166 5.144 5.144 4.714 0.430 18167 12468 1 13 . 1 1 148 148 THR C C 166 173.151 173.151 172.795 0.356 18167 12469 1 13 . 1 1 148 148 THR CA C 166 60.362 60.362 61.574 -1.212 18167 12470 1 13 . 1 1 148 148 THR CB C 166 69.214 69.214 72.898 -3.684 18167 12471 1 13 . 1 1 148 148 THR H H 166 8.614 8.614 8.070 0.544 18167 12472 1 13 . 1 1 149 149 ALA N N 167 124.595 124.595 124.189 0.406 18167 12473 1 13 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.287 0.318 18167 12474 1 13 . 1 1 149 149 ALA C C 167 179.460 179.460 178.632 0.828 18167 12475 1 13 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.717 -1.161 18167 12476 1 13 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.598 0.660 18167 12477 1 13 . 1 1 149 149 ALA H H 167 8.107 8.107 8.658 -0.551 18167 12478 1 13 . 1 1 150 150 GLU N N 168 123.906 123.906 122.372 1.534 18167 12479 1 13 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.739 0.759 18167 12480 1 13 . 1 1 150 150 GLU C C 168 178.587 178.587 177.502 1.085 18167 12481 1 13 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.719 0.227 18167 12482 1 13 . 1 1 150 150 GLU CB C 168 28.707 28.707 28.980 -0.273 18167 12483 1 13 . 1 1 150 150 GLU H H 168 8.471 8.471 8.886 -0.415 18167 12484 1 13 . 1 1 151 151 ASP N N 169 114.005 114.005 119.200 -5.195 18167 12485 1 13 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.457 0.026 18167 12486 1 13 . 1 1 151 151 ASP C C 169 177.260 177.260 177.533 -0.273 18167 12487 1 13 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.449 -0.531 18167 12488 1 13 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.231 -0.146 18167 12489 1 13 . 1 1 151 151 ASP H H 169 8.575 8.575 8.691 -0.116 18167 12490 1 13 . 1 1 152 152 ARG N N 170 118.283 118.283 117.081 1.202 18167 12491 1 13 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.687 -0.356 18167 12492 1 13 . 1 1 152 152 ARG C C 170 177.094 177.094 177.428 -0.334 18167 12493 1 13 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.785 0.051 18167 12494 1 13 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.521 0.463 18167 12495 1 13 . 1 1 152 152 ARG H H 170 7.663 7.663 7.549 0.114 18167 12496 1 13 . 1 1 153 153 TRP N N 171 122.336 122.336 123.532 -1.196 18167 12497 1 13 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.548 -0.638 18167 12498 1 13 . 1 1 153 153 TRP C C 171 175.820 175.820 176.487 -0.667 18167 12499 1 13 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.563 -0.687 18167 12500 1 13 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.478 -0.070 18167 12501 1 13 . 1 1 153 153 TRP H H 171 7.689 7.689 7.976 -0.287 18167 12502 1 13 . 1 1 154 154 ASP N N 172 114.179 114.179 117.322 -3.143 18167 12503 1 13 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.562 -0.545 18167 12504 1 13 . 1 1 154 154 ASP C C 172 178.442 178.442 179.316 -0.874 18167 12505 1 13 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.971 0.532 18167 12506 1 13 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.665 -0.501 18167 12507 1 13 . 1 1 154 154 ASP H H 172 8.690 8.690 8.407 0.283 18167 12508 1 13 . 1 1 155 155 THR N N 173 114.661 114.661 116.114 -1.453 18167 12509 1 13 . 1 1 155 155 THR HA H 173 3.990 3.990 4.149 -0.159 18167 12510 1 13 . 1 1 155 155 THR C C 173 175.985 175.985 175.892 0.093 18167 12511 1 13 . 1 1 155 155 THR CA C 173 65.585 65.585 65.412 0.173 18167 12512 1 13 . 1 1 155 155 THR CB C 173 69.076 69.076 69.199 -0.123 18167 12513 1 13 . 1 1 155 155 THR H H 173 7.635 7.635 7.795 -0.160 18167 12514 1 13 . 1 1 156 156 VAL N N 174 113.687 113.687 114.756 -1.069 18167 12515 1 13 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.320 -0.043 18167 12516 1 13 . 1 1 156 156 VAL C C 174 176.185 176.185 175.071 1.114 18167 12517 1 13 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.186 1.258 18167 12518 1 13 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.439 2.714 18167 12519 1 13 . 1 1 156 156 VAL H H 174 7.447 7.447 7.953 -0.506 18167 12520 1 13 . 1 1 157 157 LYS N N 175 123.084 123.084 120.351 2.733 18167 12521 1 13 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.631 -0.787 18167 12522 1 13 . 1 1 157 157 LYS C C 175 177.321 177.321 178.161 -0.840 18167 12523 1 13 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.597 0.622 18167 12524 1 13 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.580 -1.385 18167 12525 1 13 . 1 1 157 157 LYS H H 175 7.548 7.548 7.073 0.475 18167 12526 1 13 . 1 1 158 158 SER N N 176 114.046 114.046 115.828 -1.782 18167 12527 1 13 . 1 1 158 158 SER HA H 176 3.820 3.820 4.156 -0.336 18167 12528 1 13 . 1 1 158 158 SER C C 176 176.927 176.927 176.171 0.756 18167 12529 1 13 . 1 1 158 158 SER CA C 176 61.600 61.600 60.845 0.755 18167 12530 1 13 . 1 1 158 158 SER CB C 176 62.048 62.048 62.167 -0.119 18167 12531 1 13 . 1 1 158 158 SER H H 176 8.161 8.161 8.116 0.045 18167 12532 1 13 . 1 1 159 159 LEU N N 177 126.125 126.125 123.570 2.555 18167 12533 1 13 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.792 0.381 18167 12534 1 13 . 1 1 159 159 LEU C C 177 178.403 178.403 177.702 0.701 18167 12535 1 13 . 1 1 159 159 LEU CA C 177 57.702 57.702 58.103 -0.401 18167 12536 1 13 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.247 -0.171 18167 12537 1 13 . 1 1 159 159 LEU H H 177 7.587 7.587 7.030 0.557 18167 12538 1 13 . 1 1 160 160 PHE N N 178 119.582 119.582 117.109 2.473 18167 12539 1 13 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.982 0.300 18167 12540 1 13 . 1 1 160 160 PHE C C 178 177.277 177.277 177.804 -0.527 18167 12541 1 13 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.626 -2.916 18167 12542 1 13 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.527 -1.987 18167 12543 1 13 . 1 1 160 160 PHE H H 178 9.067 9.067 6.666 2.401 18167 12544 1 13 . 1 1 161 161 ASP N N 179 120.599 120.599 119.056 1.543 18167 12545 1 13 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.385 -0.045 18167 12546 1 13 . 1 1 161 161 ASP C C 179 179.216 179.216 178.577 0.639 18167 12547 1 13 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.688 0.214 18167 12548 1 13 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.920 0.036 18167 12549 1 13 . 1 1 161 161 ASP H H 179 8.578 8.578 7.633 0.945 18167 12550 1 13 . 1 1 162 162 THR N N 180 118.300 118.300 117.157 1.143 18167 12551 1 13 . 1 1 162 162 THR HA H 180 3.849 3.849 3.999 -0.150 18167 12552 1 13 . 1 1 162 162 THR C C 180 176.875 176.875 176.754 0.121 18167 12553 1 13 . 1 1 162 162 THR CA C 180 66.977 66.977 66.847 0.130 18167 12554 1 13 . 1 1 162 162 THR CB C 180 68.886 68.886 68.776 0.110 18167 12555 1 13 . 1 1 162 162 THR H H 180 7.771 7.771 8.408 -0.637 18167 12556 1 13 . 1 1 163 163 VAL N N 181 123.234 123.234 121.326 1.908 18167 12557 1 13 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.564 0.030 18167 12558 1 13 . 1 1 163 163 VAL C C 181 180.016 180.016 176.952 3.064 18167 12559 1 13 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.825 -0.069 18167 12560 1 13 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.381 0.331 18167 12561 1 13 . 1 1 163 163 VAL H H 181 8.831 8.831 8.375 0.456 18167 12562 1 13 . 1 1 164 164 ALA N N 182 124.654 124.654 120.604 4.050 18167 12563 1 13 . 1 1 164 164 ALA HA H 182 4.262 4.262 2.894 1.368 18167 12564 1 13 . 1 1 164 164 ALA C C 182 180.510 180.510 178.451 2.059 18167 12565 1 13 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.323 2.136 18167 12566 1 13 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.099 -0.536 18167 12567 1 13 . 1 1 164 164 ALA H H 182 9.662 9.662 7.852 1.810 18167 12568 1 13 . 1 1 165 165 SER N N 183 112.325 112.325 111.447 0.878 18167 12569 1 13 . 1 1 165 165 SER HA H 183 4.173 4.173 4.515 -0.342 18167 12570 1 13 . 1 1 165 165 SER C C 183 173.817 173.817 176.144 -2.327 18167 12571 1 13 . 1 1 165 165 SER CA C 183 61.155 61.155 59.342 1.813 18167 12572 1 13 . 1 1 165 165 SER CB C 183 63.140 63.140 63.602 -0.462 18167 12573 1 13 . 1 1 165 165 SER H H 183 7.988 7.988 7.743 0.245 18167 12574 1 13 . 1 1 166 166 SER N N 184 117.332 117.332 117.039 0.293 18167 12575 1 13 . 1 1 166 166 SER HA H 184 4.356 4.356 4.421 -0.065 18167 12576 1 13 . 1 1 166 166 SER C C 184 174.163 174.163 175.904 -1.741 18167 12577 1 13 . 1 1 166 166 SER CA C 184 59.502 59.502 60.391 -0.889 18167 12578 1 13 . 1 1 166 166 SER CB C 184 63.416 63.416 63.645 -0.229 18167 12579 1 13 . 1 1 166 166 SER H H 184 7.766 7.766 7.988 -0.222 18167 12580 1 13 . 1 1 167 167 PHE N N 185 124.827 124.827 121.018 3.809 18167 12581 1 13 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.898 0.265 18167 12582 1 13 . 1 1 167 167 PHE C C 185 174.545 174.545 175.184 -0.639 18167 12583 1 13 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.970 -0.468 18167 12584 1 13 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.407 -1.017 18167 12585 1 13 . 1 1 167 167 PHE H H 185 7.101 7.101 7.659 -0.558 18167 12586 1 13 . 1 1 168 168 HIS N N 186 127.050 127.050 119.780 7.270 18167 12587 1 13 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.560 0.593 18167 12588 1 13 . 1 1 168 168 HIS C C 186 172.836 172.836 173.301 -0.465 18167 12589 1 13 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.962 -0.806 18167 12590 1 13 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.866 -1.863 18167 12591 1 13 . 1 1 168 168 HIS H H 186 8.645 8.645 8.568 0.077 18167 12592 1 13 . 1 1 169 169 VAL N N 187 114.268 114.268 118.893 -4.625 18167 12593 1 13 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.171 -0.011 18167 12594 1 13 . 1 1 169 169 VAL C C 187 174.449 174.449 174.118 0.331 18167 12595 1 13 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.978 -0.625 18167 12596 1 13 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.940 -1.531 18167 12597 1 13 . 1 1 169 169 VAL H H 187 7.466 7.466 7.556 -0.090 18167 12598 1 14 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.204 0.268 18167 12599 1 14 . 1 1 2 2 PRO C C 20 177.006 177.006 178.044 -1.038 18167 12600 1 14 . 1 1 2 2 PRO CA C 20 63.040 63.040 64.503 -1.463 18167 12601 1 14 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.056 0.008 18167 12602 1 14 . 1 1 3 3 LEU N N 21 122.423 122.423 117.051 5.372 18167 12603 1 14 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.277 0.064 18167 12604 1 14 . 1 1 3 3 LEU C C 21 177.928 177.928 178.585 -0.657 18167 12605 1 14 . 1 1 3 3 LEU CA C 21 55.318 55.318 56.616 -1.298 18167 12606 1 14 . 1 1 3 3 LEU CB C 21 42.266 42.266 40.560 1.706 18167 12607 1 14 . 1 1 3 3 LEU H H 21 8.551 8.551 7.703 0.848 18167 12608 1 14 . 1 1 4 4 GLY N N 22 109.759 109.759 108.239 1.520 18167 12609 1 14 . 1 1 4 4 GLY C C 22 174.309 174.309 173.793 0.516 18167 12610 1 14 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.416 0.813 18167 12611 1 14 . 1 1 4 4 GLY H H 22 8.423 8.423 7.883 0.540 18167 12612 1 14 . 1 1 5 5 SER N N 23 115.538 115.538 114.895 0.643 18167 12613 1 14 . 1 1 5 5 SER HA H 23 4.488 4.488 4.259 0.229 18167 12614 1 14 . 1 1 5 5 SER C C 23 174.841 174.841 174.592 0.249 18167 12615 1 14 . 1 1 5 5 SER CA C 23 58.329 58.329 58.254 0.075 18167 12616 1 14 . 1 1 5 5 SER CB C 23 63.957 63.957 64.171 -0.214 18167 12617 1 14 . 1 1 5 5 SER H H 23 8.233 8.233 7.546 0.687 18167 12618 1 14 . 1 1 6 6 CYS N N 24 120.699 120.699 122.567 -1.868 18167 12619 1 14 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.484 0.058 18167 12620 1 14 . 1 1 6 6 CYS C C 24 175.079 175.079 175.439 -0.360 18167 12621 1 14 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.889 -1.172 18167 12622 1 14 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.501 -0.532 18167 12623 1 14 . 1 1 6 6 CYS H H 24 8.493 8.493 8.320 0.173 18167 12624 1 14 . 1 1 7 7 GLY N N 25 110.895 110.895 113.937 -3.042 18167 12625 1 14 . 1 1 7 7 GLY C C 25 174.402 174.402 174.839 -0.437 18167 12626 1 14 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.347 0.131 18167 12627 1 14 . 1 1 7 7 GLY H H 25 8.449 8.449 8.680 -0.231 18167 12628 1 14 . 1 1 8 8 GLY N N 26 108.733 108.733 107.763 0.970 18167 12629 1 14 . 1 1 8 8 GLY C C 26 174.113 174.113 174.306 -0.193 18167 12630 1 14 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.676 0.504 18167 12631 1 14 . 1 1 8 8 GLY H H 26 8.236 8.236 8.433 -0.197 18167 12632 1 14 . 1 1 9 9 VAL N N 27 118.903 118.903 116.488 2.415 18167 12633 1 14 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.608 -0.484 18167 12634 1 14 . 1 1 9 9 VAL C C 27 176.630 176.630 174.942 1.688 18167 12635 1 14 . 1 1 9 9 VAL CA C 27 62.385 62.385 60.864 1.521 18167 12636 1 14 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.133 -0.612 18167 12637 1 14 . 1 1 9 9 VAL H H 27 8.019 8.019 7.439 0.580 18167 12638 1 14 . 1 1 10 10 GLY N N 28 112.317 112.317 111.099 1.218 18167 12639 1 14 . 1 1 10 10 GLY C C 28 174.378 174.378 174.067 0.311 18167 12640 1 14 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.910 0.436 18167 12641 1 14 . 1 1 10 10 GLY H H 28 8.483 8.483 8.380 0.103 18167 12642 1 14 . 1 1 11 11 ILE N N 29 119.788 119.788 120.800 -1.012 18167 12643 1 14 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.404 -0.323 18167 12644 1 14 . 1 1 11 11 ILE C C 29 176.168 176.168 177.178 -1.010 18167 12645 1 14 . 1 1 11 11 ILE CA C 29 61.412 61.412 59.207 2.205 18167 12646 1 14 . 1 1 11 11 ILE CB C 29 38.557 38.557 37.891 0.666 18167 12647 1 14 . 1 1 11 11 ILE H H 29 7.948 7.948 7.535 0.413 18167 12648 1 14 . 1 1 12 12 ALA N N 30 126.009 126.009 127.684 -1.675 18167 12649 1 14 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.073 0.215 18167 12650 1 14 . 1 1 12 12 ALA C C 30 177.504 177.504 176.991 0.513 18167 12651 1 14 . 1 1 12 12 ALA CA C 30 52.865 52.865 54.135 -1.270 18167 12652 1 14 . 1 1 12 12 ALA CB C 30 18.966 18.966 18.805 0.161 18167 12653 1 14 . 1 1 12 12 ALA H H 30 8.247 8.247 8.269 -0.022 18167 12654 1 14 . 1 1 13 13 SER N N 31 113.949 113.949 111.490 2.459 18167 12655 1 14 . 1 1 13 13 SER HA H 31 4.392 4.392 4.440 -0.048 18167 12656 1 14 . 1 1 13 13 SER C C 31 173.644 173.644 172.486 1.158 18167 12657 1 14 . 1 1 13 13 SER CA C 31 58.329 58.329 57.818 0.511 18167 12658 1 14 . 1 1 13 13 SER CB C 31 63.609 63.609 65.023 -1.414 18167 12659 1 14 . 1 1 13 13 SER H H 31 8.045 8.045 7.846 0.199 18167 12660 1 14 . 1 1 14 14 LEU N N 32 122.240 122.240 122.593 -0.353 18167 12661 1 14 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.303 0.242 18167 12662 1 14 . 1 1 14 14 LEU C C 32 176.001 176.001 176.391 -0.390 18167 12663 1 14 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.752 0.125 18167 12664 1 14 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.495 0.750 18167 12665 1 14 . 1 1 14 14 LEU H H 32 7.749 7.749 8.393 -0.644 18167 12666 1 14 . 1 1 15 15 GLN N N 33 120.685 120.685 120.657 0.028 18167 12667 1 14 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.503 -0.121 18167 12668 1 14 . 1 1 15 15 GLN C C 33 172.944 172.944 172.748 0.196 18167 12669 1 14 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.545 -0.084 18167 12670 1 14 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.911 -1.168 18167 12671 1 14 . 1 1 15 15 GLN H H 33 8.780 8.780 8.051 0.729 18167 12672 1 14 . 1 1 16 16 ARG N N 34 120.341 120.341 118.251 2.090 18167 12673 1 14 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.716 0.188 18167 12674 1 14 . 1 1 16 16 ARG C C 34 175.846 175.846 174.805 1.041 18167 12675 1 14 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.592 1.109 18167 12676 1 14 . 1 1 16 16 ARG CB C 34 32.742 32.742 33.441 -0.699 18167 12677 1 14 . 1 1 16 16 ARG H H 34 8.274 8.274 8.272 0.002 18167 12678 1 14 . 1 1 17 17 TYR N N 35 128.733 128.733 120.267 8.466 18167 12679 1 14 . 1 1 17 17 TYR HA H 35 4.558 4.558 5.056 -0.498 18167 12680 1 14 . 1 1 17 17 TYR C C 35 173.307 173.307 173.931 -0.624 18167 12681 1 14 . 1 1 17 17 TYR CA C 35 57.733 57.733 54.548 3.185 18167 12682 1 14 . 1 1 17 17 TYR CB C 35 41.583 41.583 39.642 1.941 18167 12683 1 14 . 1 1 17 17 TYR H H 35 9.104 9.104 8.174 0.930 18167 12684 1 14 . 1 1 18 18 SER N N 36 119.150 119.150 114.957 4.193 18167 12685 1 14 . 1 1 18 18 SER HA H 36 4.786 4.786 5.093 -0.307 18167 12686 1 14 . 1 1 18 18 SER C C 36 172.002 172.002 173.251 -1.249 18167 12687 1 14 . 1 1 18 18 SER CA C 36 56.341 56.341 57.627 -1.286 18167 12688 1 14 . 1 1 18 18 SER CB C 36 65.327 65.327 66.939 -1.612 18167 12689 1 14 . 1 1 18 18 SER H H 36 7.398 7.398 8.457 -1.059 18167 12690 1 14 . 1 1 19 19 ASP N N 37 124.935 124.935 122.213 2.722 18167 12691 1 14 . 1 1 19 19 ASP HA H 37 4.671 4.671 5.069 -0.398 18167 12692 1 14 . 1 1 19 19 ASP C C 37 176.089 176.089 176.642 -0.553 18167 12693 1 14 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.413 -0.604 18167 12694 1 14 . 1 1 19 19 ASP CB C 37 42.465 42.465 42.967 -0.502 18167 12695 1 14 . 1 1 19 19 ASP H H 37 8.607 8.607 8.598 0.009 18167 12696 1 14 . 1 1 20 20 THR N N 38 117.032 117.032 121.082 -4.050 18167 12697 1 14 . 1 1 20 20 THR HA H 38 4.316 4.316 3.905 0.411 18167 12698 1 14 . 1 1 20 20 THR C C 38 175.794 175.794 175.990 -0.196 18167 12699 1 14 . 1 1 20 20 THR CA C 38 63.123 63.123 65.952 -2.829 18167 12700 1 14 . 1 1 20 20 THR CB C 38 68.905 68.905 69.117 -0.212 18167 12701 1 14 . 1 1 20 20 THR H H 38 8.470 8.470 8.708 -0.238 18167 12702 1 14 . 1 1 21 21 LYS N N 39 124.893 124.893 119.829 5.064 18167 12703 1 14 . 1 1 21 21 LYS HA H 39 4.189 4.189 3.949 0.240 18167 12704 1 14 . 1 1 21 21 LYS C C 39 177.678 177.678 177.616 0.062 18167 12705 1 14 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.456 -0.661 18167 12706 1 14 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.355 -0.687 18167 12707 1 14 . 1 1 21 21 LYS H H 39 8.201 8.201 7.643 0.558 18167 12708 1 14 . 1 1 22 22 ASP N N 40 118.183 118.183 115.462 2.721 18167 12709 1 14 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.465 0.356 18167 12710 1 14 . 1 1 22 22 ASP C C 40 176.752 176.752 177.271 -0.519 18167 12711 1 14 . 1 1 22 22 ASP CA C 40 54.879 54.879 53.596 1.283 18167 12712 1 14 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.869 1.000 18167 12713 1 14 . 1 1 22 22 ASP H H 40 8.480 8.480 8.017 0.463 18167 12714 1 14 . 1 1 23 23 GLY N N 41 108.978 108.978 108.970 0.008 18167 12715 1 14 . 1 1 23 23 GLY C C 41 172.396 172.396 173.221 -0.825 18167 12716 1 14 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.731 1.385 18167 12717 1 14 . 1 1 23 23 GLY H H 41 7.421 7.421 8.446 -1.025 18167 12718 1 14 . 1 1 24 24 TYR N N 42 112.046 112.046 116.135 -4.089 18167 12719 1 14 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.853 -0.459 18167 12720 1 14 . 1 1 24 24 TYR C C 42 173.028 173.028 173.043 -0.015 18167 12721 1 14 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.140 1.692 18167 12722 1 14 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.333 0.521 18167 12723 1 14 . 1 1 24 24 TYR H H 42 7.506 7.506 7.777 -0.271 18167 12724 1 14 . 1 1 25 25 GLU N N 43 117.470 117.470 120.281 -2.811 18167 12725 1 14 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.114 0.354 18167 12726 1 14 . 1 1 25 25 GLU C C 43 173.311 173.311 174.456 -1.145 18167 12727 1 14 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.302 -1.071 18167 12728 1 14 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.151 -0.526 18167 12729 1 14 . 1 1 25 25 GLU H H 43 8.934 8.934 8.733 0.201 18167 12730 1 14 . 1 1 26 26 PHE N N 44 112.795 112.795 117.424 -4.629 18167 12731 1 14 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.203 -0.361 18167 12732 1 14 . 1 1 26 26 PHE C C 44 172.776 172.776 173.188 -0.412 18167 12733 1 14 . 1 1 26 26 PHE CA C 44 56.616 56.616 57.178 -0.562 18167 12734 1 14 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.156 -0.707 18167 12735 1 14 . 1 1 26 26 PHE H H 44 8.532 8.532 8.534 -0.002 18167 12736 1 14 . 1 1 27 27 LEU N N 45 119.784 119.784 121.772 -1.988 18167 12737 1 14 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.435 1.085 18167 12738 1 14 . 1 1 27 27 LEU C C 45 174.965 174.965 176.468 -1.503 18167 12739 1 14 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.907 -2.133 18167 12740 1 14 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.244 1.406 18167 12741 1 14 . 1 1 27 27 LEU H H 45 9.241 9.241 8.886 0.355 18167 12742 1 14 . 1 1 28 28 TYR N N 46 113.008 113.008 119.303 -6.295 18167 12743 1 14 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.594 0.319 18167 12744 1 14 . 1 1 28 28 TYR C C 46 171.354 171.354 171.640 -0.286 18167 12745 1 14 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.882 -0.124 18167 12746 1 14 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.422 -0.275 18167 12747 1 14 . 1 1 28 28 TYR H H 46 8.951 8.951 8.621 0.330 18167 12748 1 14 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.060 -0.053 18167 12749 1 14 . 1 1 29 29 PRO C C 47 176.165 176.165 176.127 0.038 18167 12750 1 14 . 1 1 29 29 PRO CA C 47 63.318 63.318 61.960 1.358 18167 12751 1 14 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.617 -1.277 18167 12752 1 14 . 1 1 30 30 ASN N N 48 119.923 119.923 119.281 0.642 18167 12753 1 14 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.266 -0.003 18167 12754 1 14 . 1 1 30 30 ASN C C 48 176.347 176.347 176.373 -0.026 18167 12755 1 14 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.199 2.002 18167 12756 1 14 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.857 0.731 18167 12757 1 14 . 1 1 30 30 ASN H H 48 8.163 8.163 7.633 0.530 18167 12758 1 14 . 1 1 31 31 GLY N N 49 111.442 111.442 106.456 4.986 18167 12759 1 14 . 1 1 31 31 GLY C C 49 174.985 174.985 174.568 0.417 18167 12760 1 14 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.224 0.168 18167 12761 1 14 . 1 1 31 31 GLY H H 49 8.702 8.702 8.623 0.079 18167 12762 1 14 . 1 1 32 32 TRP N N 50 122.100 122.100 121.598 0.502 18167 12763 1 14 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.256 0.086 18167 12764 1 14 . 1 1 32 32 TRP C C 50 176.370 176.370 177.616 -1.246 18167 12765 1 14 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.527 0.766 18167 12766 1 14 . 1 1 32 32 TRP CB C 50 30.104 30.104 29.762 0.342 18167 12767 1 14 . 1 1 32 32 TRP H H 50 8.008 8.008 7.684 0.324 18167 12768 1 14 . 1 1 33 33 ILE N N 51 117.163 117.163 120.367 -3.204 18167 12769 1 14 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.815 0.140 18167 12770 1 14 . 1 1 33 33 ILE C C 51 175.549 175.549 175.308 0.241 18167 12771 1 14 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.983 -0.755 18167 12772 1 14 . 1 1 33 33 ILE CB C 51 42.089 42.089 40.276 1.813 18167 12773 1 14 . 1 1 33 33 ILE H H 51 9.249 9.249 8.902 0.347 18167 12774 1 14 . 1 1 34 34 GLY N N 52 111.812 111.812 112.671 -0.859 18167 12775 1 14 . 1 1 34 34 GLY C C 52 173.956 173.956 173.974 -0.018 18167 12776 1 14 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.981 1.423 18167 12777 1 14 . 1 1 34 34 GLY H H 52 8.787 8.787 8.449 0.338 18167 12778 1 14 . 1 1 35 35 VAL N N 53 122.174 122.174 125.216 -3.042 18167 12779 1 14 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.223 -0.079 18167 12780 1 14 . 1 1 35 35 VAL C C 53 174.921 174.921 175.524 -0.603 18167 12781 1 14 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.305 -0.648 18167 12782 1 14 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.742 0.298 18167 12783 1 14 . 1 1 35 35 VAL H H 53 7.763 7.763 8.684 -0.921 18167 12784 1 14 . 1 1 36 36 ASP N N 54 125.424 125.424 125.940 -0.516 18167 12785 1 14 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.524 0.065 18167 12786 1 14 . 1 1 36 36 ASP C C 54 176.890 176.890 175.807 1.083 18167 12787 1 14 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.210 0.240 18167 12788 1 14 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.083 0.090 18167 12789 1 14 . 1 1 36 36 ASP H H 54 8.425 8.425 8.570 -0.145 18167 12790 1 14 . 1 1 37 37 VAL N N 55 120.335 120.335 114.001 6.334 18167 12791 1 14 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.260 -0.092 18167 12792 1 14 . 1 1 37 37 VAL C C 55 176.785 176.785 175.120 1.665 18167 12793 1 14 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.499 0.419 18167 12794 1 14 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.389 -0.599 18167 12795 1 14 . 1 1 37 37 VAL H H 55 8.215 8.215 8.279 -0.064 18167 12796 1 14 . 1 1 38 38 LYS N N 56 124.881 124.881 122.555 2.326 18167 12797 1 14 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.307 -0.105 18167 12798 1 14 . 1 1 38 38 LYS C C 56 177.828 177.828 177.697 0.131 18167 12799 1 14 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.416 0.587 18167 12800 1 14 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.220 -0.583 18167 12801 1 14 . 1 1 38 38 LYS H H 56 8.331 8.331 8.290 0.041 18167 12802 1 14 . 1 1 39 39 GLY N N 57 111.152 111.152 112.289 -1.137 18167 12803 1 14 . 1 1 39 39 GLY C C 57 174.253 174.253 174.201 0.052 18167 12804 1 14 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.693 0.667 18167 12805 1 14 . 1 1 39 39 GLY H H 57 8.651 8.651 8.929 -0.278 18167 12806 1 14 . 1 1 40 40 ALA N N 58 123.085 123.085 122.334 0.751 18167 12807 1 14 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.431 -0.048 18167 12808 1 14 . 1 1 40 40 ALA C C 58 177.125 177.125 177.324 -0.199 18167 12809 1 14 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.451 0.903 18167 12810 1 14 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.479 0.139 18167 12811 1 14 . 1 1 40 40 ALA H H 58 7.839 7.839 7.553 0.286 18167 12812 1 14 . 1 1 41 41 SER N N 59 115.088 115.088 115.278 -0.190 18167 12813 1 14 . 1 1 41 41 SER HA H 59 4.688 4.688 4.437 0.251 18167 12814 1 14 . 1 1 41 41 SER C C 59 171.885 171.885 173.437 -1.552 18167 12815 1 14 . 1 1 41 41 SER CA C 59 56.951 56.951 57.741 -0.790 18167 12816 1 14 . 1 1 41 41 SER CB C 59 63.123 63.123 62.654 0.470 18167 12817 1 14 . 1 1 41 41 SER H H 59 8.186 8.186 8.236 -0.050 18167 12818 1 14 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.399 -0.050 18167 12819 1 14 . 1 1 42 42 PRO C C 60 177.660 177.660 177.297 0.363 18167 12820 1 14 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.787 0.438 18167 12821 1 14 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.826 -0.285 18167 12822 1 14 . 1 1 43 43 GLY N N 61 111.997 111.997 111.810 0.187 18167 12823 1 14 . 1 1 43 43 GLY C C 61 174.070 174.070 174.023 0.047 18167 12824 1 14 . 1 1 43 43 GLY CA C 61 45.614 45.614 45.020 0.594 18167 12825 1 14 . 1 1 43 43 GLY H H 61 8.730 8.730 8.513 0.217 18167 12826 1 14 . 1 1 44 44 VAL N N 62 120.539 120.539 121.103 -0.564 18167 12827 1 14 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.838 0.439 18167 12828 1 14 . 1 1 44 44 VAL C C 62 175.277 175.277 175.296 -0.019 18167 12829 1 14 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.610 -1.683 18167 12830 1 14 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.721 -0.166 18167 12831 1 14 . 1 1 44 44 VAL H H 62 7.573 7.573 7.395 0.178 18167 12832 1 14 . 1 1 45 45 ASP N N 63 128.619 128.619 127.325 1.294 18167 12833 1 14 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.818 0.089 18167 12834 1 14 . 1 1 45 45 ASP C C 63 176.177 176.177 175.242 0.935 18167 12835 1 14 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.098 0.757 18167 12836 1 14 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.522 0.753 18167 12837 1 14 . 1 1 45 45 ASP H H 63 9.084 9.084 8.203 0.881 18167 12838 1 14 . 1 1 46 46 VAL N N 64 115.687 115.687 117.276 -1.589 18167 12839 1 14 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.299 0.011 18167 12840 1 14 . 1 1 46 46 VAL C C 64 172.853 172.853 173.924 -1.071 18167 12841 1 14 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.564 0.607 18167 12842 1 14 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.367 0.541 18167 12843 1 14 . 1 1 46 46 VAL H H 64 7.314 7.314 7.433 -0.119 18167 12844 1 14 . 1 1 47 47 VAL N N 65 124.933 124.933 123.778 1.155 18167 12845 1 14 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.397 0.659 18167 12846 1 14 . 1 1 47 47 VAL C C 65 175.266 175.266 174.188 1.078 18167 12847 1 14 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.323 -0.241 18167 12848 1 14 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.172 2.495 18167 12849 1 14 . 1 1 47 47 VAL H H 65 8.146 8.146 7.887 0.259 18167 12850 1 14 . 1 1 48 48 PHE N N 66 122.916 122.916 126.423 -3.507 18167 12851 1 14 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.345 0.146 18167 12852 1 14 . 1 1 48 48 PHE C C 66 174.371 174.371 174.324 0.047 18167 12853 1 14 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.541 -0.012 18167 12854 1 14 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.251 1.908 18167 12855 1 14 . 1 1 48 48 PHE H H 66 8.469 8.469 9.067 -0.598 18167 12856 1 14 . 1 1 49 49 ARG N N 67 116.381 116.381 121.940 -5.559 18167 12857 1 14 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.610 -0.105 18167 12858 1 14 . 1 1 49 49 ARG C C 67 173.455 173.455 173.924 -0.469 18167 12859 1 14 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.519 -0.685 18167 12860 1 14 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.617 0.281 18167 12861 1 14 . 1 1 49 49 ARG H H 67 9.271 9.271 8.832 0.439 18167 12862 1 14 . 1 1 50 50 ASP N N 68 121.066 121.066 126.161 -5.095 18167 12863 1 14 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.686 -0.635 18167 12864 1 14 . 1 1 50 50 ASP C C 68 176.670 176.670 175.701 0.969 18167 12865 1 14 . 1 1 50 50 ASP CA C 68 54.616 54.616 54.168 0.448 18167 12866 1 14 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.267 1.634 18167 12867 1 14 . 1 1 50 50 ASP H H 68 7.165 7.165 8.282 -1.117 18167 12868 1 14 . 1 1 51 51 LEU N N 69 124.078 124.078 126.312 -2.234 18167 12869 1 14 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.177 -0.152 18167 12870 1 14 . 1 1 51 51 LEU C C 69 177.463 177.463 178.408 -0.945 18167 12871 1 14 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.599 -0.191 18167 12872 1 14 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.475 0.674 18167 12873 1 14 . 1 1 51 51 LEU H H 69 8.314 8.314 7.896 0.418 18167 12874 1 14 . 1 1 52 52 ILE N N 70 118.341 118.341 117.724 0.617 18167 12875 1 14 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.926 0.147 18167 12876 1 14 . 1 1 52 52 ILE C C 70 177.093 177.093 176.206 0.887 18167 12877 1 14 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.825 -1.967 18167 12878 1 14 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.050 0.570 18167 12879 1 14 . 1 1 52 52 ILE H H 70 8.178 8.178 8.100 0.078 18167 12880 1 14 . 1 1 53 53 GLU N N 71 122.254 122.254 119.267 2.987 18167 12881 1 14 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.577 -0.193 18167 12882 1 14 . 1 1 53 53 GLU C C 71 176.084 176.084 175.557 0.527 18167 12883 1 14 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.166 -0.358 18167 12884 1 14 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.136 -1.378 18167 12885 1 14 . 1 1 53 53 GLU H H 71 8.974 8.974 8.315 0.659 18167 12886 1 14 . 1 1 54 54 ARG N N 72 121.414 121.414 122.892 -1.478 18167 12887 1 14 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.040 -0.058 18167 12888 1 14 . 1 1 54 54 ARG C C 72 176.478 176.478 177.224 -0.746 18167 12889 1 14 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.975 -0.735 18167 12890 1 14 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.591 -0.627 18167 12891 1 14 . 1 1 54 54 ARG H H 72 8.052 8.052 8.482 -0.430 18167 12892 1 14 . 1 1 55 55 ASP N N 73 117.425 117.425 117.875 -0.450 18167 12893 1 14 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.481 -0.030 18167 12894 1 14 . 1 1 55 55 ASP C C 73 173.783 173.783 176.488 -2.705 18167 12895 1 14 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.115 -1.042 18167 12896 1 14 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.164 0.578 18167 12897 1 14 . 1 1 55 55 ASP H H 73 8.455 8.455 8.394 0.061 18167 12898 1 14 . 1 1 56 56 GLU N N 74 124.050 124.050 119.720 4.330 18167 12899 1 14 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.532 0.967 18167 12900 1 14 . 1 1 56 56 GLU C C 74 174.110 174.110 175.434 -1.324 18167 12901 1 14 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.565 -0.087 18167 12902 1 14 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.076 2.370 18167 12903 1 14 . 1 1 56 56 GLU H H 74 7.773 7.773 8.034 -0.261 18167 12904 1 14 . 1 1 57 57 ASN N N 75 119.794 119.794 123.620 -3.826 18167 12905 1 14 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.900 -0.137 18167 12906 1 14 . 1 1 57 57 ASN C C 75 171.893 171.893 172.916 -1.023 18167 12907 1 14 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.990 -0.027 18167 12908 1 14 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.982 -0.613 18167 12909 1 14 . 1 1 57 57 ASN H H 75 8.891 8.891 8.546 0.345 18167 12910 1 14 . 1 1 58 58 LEU N N 76 116.438 116.438 123.830 -7.392 18167 12911 1 14 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.120 0.221 18167 12912 1 14 . 1 1 58 58 LEU C C 76 174.630 174.630 174.240 0.390 18167 12913 1 14 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.919 -1.091 18167 12914 1 14 . 1 1 58 58 LEU CB C 76 45.879 45.879 46.266 -0.387 18167 12915 1 14 . 1 1 58 58 LEU H H 76 9.166 9.166 8.787 0.379 18167 12916 1 14 . 1 1 59 59 SER N N 77 114.543 114.543 119.136 -4.593 18167 12917 1 14 . 1 1 59 59 SER HA H 77 5.432 5.432 4.958 0.474 18167 12918 1 14 . 1 1 59 59 SER C C 77 172.602 172.602 172.500 0.102 18167 12919 1 14 . 1 1 59 59 SER CA C 77 56.593 56.593 56.970 -0.377 18167 12920 1 14 . 1 1 59 59 SER CB C 77 66.720 66.720 65.640 1.080 18167 12921 1 14 . 1 1 59 59 SER H H 77 8.352 8.352 9.190 -0.838 18167 12922 1 14 . 1 1 60 60 VAL N N 78 122.017 122.017 126.205 -4.188 18167 12923 1 14 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.354 0.615 18167 12924 1 14 . 1 1 60 60 VAL C C 78 174.861 174.861 174.393 0.468 18167 12925 1 14 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.993 0.191 18167 12926 1 14 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.144 0.168 18167 12927 1 14 . 1 1 60 60 VAL H H 78 8.306 8.306 8.378 -0.072 18167 12928 1 14 . 1 1 61 61 ILE N N 79 128.458 128.458 128.270 0.188 18167 12929 1 14 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.600 0.121 18167 12930 1 14 . 1 1 61 61 ILE C C 79 175.639 175.639 174.296 1.343 18167 12931 1 14 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.603 -0.360 18167 12932 1 14 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.202 1.084 18167 12933 1 14 . 1 1 61 61 ILE H H 79 9.193 9.193 7.754 1.439 18167 12934 1 14 . 1 1 62 62 ILE N N 80 129.957 129.957 126.727 3.230 18167 12935 1 14 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.933 0.109 18167 12936 1 14 . 1 1 62 62 ILE C C 80 175.727 175.727 174.690 1.037 18167 12937 1 14 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.565 0.593 18167 12938 1 14 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.948 -1.171 18167 12939 1 14 . 1 1 62 62 ILE H H 80 9.140 9.140 8.892 0.248 18167 12940 1 14 . 1 1 63 63 SER N N 81 122.084 122.084 119.845 2.239 18167 12941 1 14 . 1 1 63 63 SER HA H 81 4.878 4.878 4.764 0.114 18167 12942 1 14 . 1 1 63 63 SER C C 81 172.933 172.933 172.364 0.569 18167 12943 1 14 . 1 1 63 63 SER CA C 81 56.689 56.689 55.990 0.698 18167 12944 1 14 . 1 1 63 63 SER CB C 81 65.862 65.862 65.127 0.735 18167 12945 1 14 . 1 1 63 63 SER H H 81 9.079 9.079 8.922 0.157 18167 12946 1 14 . 1 1 64 64 GLU N N 82 121.983 121.983 122.818 -0.835 18167 12947 1 14 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.836 -0.244 18167 12948 1 14 . 1 1 64 64 GLU C C 82 176.501 176.501 176.492 0.009 18167 12949 1 14 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.150 1.691 18167 12950 1 14 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.220 -0.710 18167 12951 1 14 . 1 1 64 64 GLU H H 82 8.664 8.664 8.518 0.146 18167 12952 1 14 . 1 1 65 65 ILE N N 83 121.194 121.194 121.550 -0.356 18167 12953 1 14 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.613 -0.036 18167 12954 1 14 . 1 1 65 65 ILE C C 83 173.233 173.233 174.012 -0.779 18167 12955 1 14 . 1 1 65 65 ILE CA C 83 58.798 58.798 57.975 0.823 18167 12956 1 14 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.917 1.571 18167 12957 1 14 . 1 1 65 65 ILE H H 83 8.271 8.271 7.858 0.413 18167 12958 1 14 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.657 -0.206 18167 12959 1 14 . 1 1 66 66 PRO C C 84 177.697 177.697 178.103 -0.406 18167 12960 1 14 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.471 0.726 18167 12961 1 14 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.822 -0.757 18167 12962 1 14 . 1 1 67 67 SER N N 85 116.018 116.018 118.679 -2.661 18167 12963 1 14 . 1 1 67 67 SER HA H 85 4.149 4.149 4.135 0.014 18167 12964 1 14 . 1 1 67 67 SER C C 85 174.387 174.387 174.930 -0.543 18167 12965 1 14 . 1 1 67 67 SER CA C 85 60.348 60.348 60.612 -0.264 18167 12966 1 14 . 1 1 67 67 SER CB C 85 63.402 63.402 63.062 0.340 18167 12967 1 14 . 1 1 67 67 SER H H 85 8.465 8.465 8.487 -0.022 18167 12968 1 14 . 1 1 68 68 ASP N N 86 118.568 118.568 121.572 -3.004 18167 12969 1 14 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.562 -0.004 18167 12970 1 14 . 1 1 68 68 ASP C C 86 175.732 175.732 175.649 0.083 18167 12971 1 14 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.099 -1.289 18167 12972 1 14 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.136 -0.918 18167 12973 1 14 . 1 1 68 68 ASP H H 86 8.531 8.531 8.365 0.166 18167 12974 1 14 . 1 1 69 69 LYS N N 87 119.225 119.225 117.803 1.422 18167 12975 1 14 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.720 -0.038 18167 12976 1 14 . 1 1 69 69 LYS C C 87 175.814 175.814 175.176 0.638 18167 12977 1 14 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.124 -0.263 18167 12978 1 14 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.850 -2.144 18167 12979 1 14 . 1 1 69 69 LYS H H 87 7.653 7.653 7.497 0.156 18167 12980 1 14 . 1 1 70 70 THR N N 88 113.175 113.175 111.142 2.033 18167 12981 1 14 . 1 1 70 70 THR HA H 88 4.529 4.529 4.503 0.026 18167 12982 1 14 . 1 1 70 70 THR C C 88 175.278 175.278 175.610 -0.332 18167 12983 1 14 . 1 1 70 70 THR CA C 88 60.699 60.699 59.488 1.211 18167 12984 1 14 . 1 1 70 70 THR CB C 88 70.710 70.710 71.648 -0.938 18167 12985 1 14 . 1 1 70 70 THR H H 88 8.608 8.608 8.174 0.434 18167 12986 1 14 . 1 1 71 71 LEU N N 89 121.978 121.978 121.133 0.845 18167 12987 1 14 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.973 -0.036 18167 12988 1 14 . 1 1 71 71 LEU C C 89 177.698 177.698 177.994 -0.296 18167 12989 1 14 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.446 -0.682 18167 12990 1 14 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.644 0.851 18167 12991 1 14 . 1 1 71 71 LEU H H 89 7.998 7.998 8.844 -0.846 18167 12992 1 14 . 1 1 72 72 THR N N 90 106.680 106.680 109.257 -2.577 18167 12993 1 14 . 1 1 72 72 THR HA H 90 4.221 4.221 4.001 0.220 18167 12994 1 14 . 1 1 72 72 THR C C 90 176.248 176.248 175.452 0.796 18167 12995 1 14 . 1 1 72 72 THR CA C 90 63.648 63.648 65.016 -1.368 18167 12996 1 14 . 1 1 72 72 THR CB C 90 68.620 68.620 68.475 0.145 18167 12997 1 14 . 1 1 72 72 THR H H 90 7.798 7.798 7.363 0.435 18167 12998 1 14 . 1 1 73 73 ASP N N 91 120.626 120.626 121.059 -0.433 18167 12999 1 14 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.465 0.145 18167 13000 1 14 . 1 1 73 73 ASP C C 91 177.133 177.133 178.738 -1.605 18167 13001 1 14 . 1 1 73 73 ASP CA C 91 55.601 55.601 56.025 -0.424 18167 13002 1 14 . 1 1 73 73 ASP CB C 91 41.673 41.673 41.239 0.434 18167 13003 1 14 . 1 1 73 73 ASP H H 91 7.805 7.805 7.738 0.067 18167 13004 1 14 . 1 1 74 74 LEU N N 92 120.238 120.238 119.390 0.848 18167 13005 1 14 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.069 0.152 18167 13006 1 14 . 1 1 74 74 LEU C C 92 176.907 176.907 176.725 0.182 18167 13007 1 14 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.652 -1.009 18167 13008 1 14 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.833 -1.509 18167 13009 1 14 . 1 1 74 74 LEU H H 92 8.182 8.182 8.196 -0.014 18167 13010 1 14 . 1 1 75 75 GLY N N 93 105.772 105.772 101.024 4.748 18167 13011 1 14 . 1 1 75 75 GLY C C 93 173.853 173.853 172.221 1.632 18167 13012 1 14 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.766 -0.738 18167 13013 1 14 . 1 1 75 75 GLY H H 93 7.713 7.713 7.341 0.372 18167 13014 1 14 . 1 1 76 76 THR N N 94 111.354 111.354 109.809 1.545 18167 13015 1 14 . 1 1 76 76 THR HA H 94 4.426 4.426 4.781 -0.355 18167 13016 1 14 . 1 1 76 76 THR C C 94 174.396 174.396 176.072 -1.676 18167 13017 1 14 . 1 1 76 76 THR CA C 94 61.220 61.220 60.436 0.784 18167 13018 1 14 . 1 1 76 76 THR CB C 94 71.400 71.400 71.963 -0.563 18167 13019 1 14 . 1 1 76 76 THR H H 94 8.842 8.842 8.174 0.668 18167 13020 1 14 . 1 1 77 77 ALA N N 95 122.586 122.586 123.430 -0.844 18167 13021 1 14 . 1 1 77 77 ALA HA H 95 3.326 3.326 4.065 -0.739 18167 13022 1 14 . 1 1 77 77 ALA C C 95 179.120 179.120 179.639 -0.519 18167 13023 1 14 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.586 0.038 18167 13024 1 14 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.890 -0.911 18167 13025 1 14 . 1 1 77 77 ALA H H 95 8.861 8.861 8.895 -0.034 18167 13026 1 14 . 1 1 78 78 THR N N 96 110.298 110.298 114.656 -4.358 18167 13027 1 14 . 1 1 78 78 THR HA H 96 3.479 3.479 3.986 -0.507 18167 13028 1 14 . 1 1 78 78 THR C C 96 175.297 175.297 176.674 -1.377 18167 13029 1 14 . 1 1 78 78 THR CA C 96 66.314 66.314 66.879 -0.565 18167 13030 1 14 . 1 1 78 78 THR CB C 96 68.335 68.335 68.469 -0.134 18167 13031 1 14 . 1 1 78 78 THR H H 96 7.757 7.757 7.686 0.071 18167 13032 1 14 . 1 1 79 79 ASP N N 97 122.829 122.829 122.721 0.108 18167 13033 1 14 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.631 -0.219 18167 13034 1 14 . 1 1 79 79 ASP C C 97 179.693 179.693 178.787 0.906 18167 13035 1 14 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.225 0.769 18167 13036 1 14 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.789 -0.258 18167 13037 1 14 . 1 1 79 79 ASP H H 97 7.448 7.448 7.981 -0.533 18167 13038 1 14 . 1 1 80 80 VAL N N 98 121.175 121.175 119.302 1.873 18167 13039 1 14 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.718 -0.236 18167 13040 1 14 . 1 1 80 80 VAL C C 98 178.667 178.667 178.220 0.447 18167 13041 1 14 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.171 0.386 18167 13042 1 14 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.746 -0.238 18167 13043 1 14 . 1 1 80 80 VAL H H 98 8.390 8.390 8.780 -0.390 18167 13044 1 14 . 1 1 81 81 GLY N N 99 108.920 108.920 108.018 0.902 18167 13045 1 14 . 1 1 81 81 GLY C C 99 175.133 175.133 175.962 -0.829 18167 13046 1 14 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.195 1.855 18167 13047 1 14 . 1 1 81 81 GLY H H 99 8.630 8.630 7.692 0.938 18167 13048 1 14 . 1 1 82 82 TYR N N 100 121.598 121.598 122.371 -0.773 18167 13049 1 14 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.138 0.190 18167 13050 1 14 . 1 1 82 82 TYR C C 100 179.383 179.383 178.509 0.874 18167 13051 1 14 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.843 -0.104 18167 13052 1 14 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.027 -0.928 18167 13053 1 14 . 1 1 82 82 TYR H H 100 8.880 8.880 8.104 0.776 18167 13054 1 14 . 1 1 83 83 ARG N N 101 121.436 121.436 118.228 3.208 18167 13055 1 14 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.958 0.129 18167 13056 1 14 . 1 1 83 83 ARG C C 101 178.906 178.906 178.579 0.327 18167 13057 1 14 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.617 -0.070 18167 13058 1 14 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.924 -0.301 18167 13059 1 14 . 1 1 83 83 ARG H H 101 8.102 8.102 8.098 0.004 18167 13060 1 14 . 1 1 84 84 PHE N N 102 121.581 121.581 121.352 0.229 18167 13061 1 14 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.137 0.250 18167 13062 1 14 . 1 1 84 84 PHE C C 102 177.731 177.731 177.189 0.542 18167 13063 1 14 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.453 -1.447 18167 13064 1 14 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.849 -0.607 18167 13065 1 14 . 1 1 84 84 PHE H H 102 8.511 8.511 7.860 0.651 18167 13066 1 14 . 1 1 85 85 MET N N 103 117.909 117.909 118.784 -0.875 18167 13067 1 14 . 1 1 85 85 MET HA H 103 3.850 3.850 3.838 0.012 18167 13068 1 14 . 1 1 85 85 MET C C 103 178.063 178.063 178.096 -0.033 18167 13069 1 14 . 1 1 85 85 MET CA C 103 57.352 57.352 57.489 -0.137 18167 13070 1 14 . 1 1 85 85 MET CB C 103 33.654 33.654 31.283 2.371 18167 13071 1 14 . 1 1 85 85 MET H H 103 8.350 8.350 8.193 0.157 18167 13072 1 14 . 1 1 86 86 LYS N N 104 118.874 118.874 119.451 -0.577 18167 13073 1 14 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.891 0.113 18167 13074 1 14 . 1 1 86 86 LYS C C 104 177.910 177.910 178.833 -0.923 18167 13075 1 14 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.906 -0.458 18167 13076 1 14 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.319 -0.634 18167 13077 1 14 . 1 1 86 86 LYS H H 104 7.578 7.578 7.729 -0.151 18167 13078 1 14 . 1 1 87 87 THR N N 105 114.567 114.567 116.177 -1.610 18167 13079 1 14 . 1 1 87 87 THR HA H 105 3.949 3.949 3.872 0.077 18167 13080 1 14 . 1 1 87 87 THR C C 105 176.912 176.912 176.141 0.771 18167 13081 1 14 . 1 1 87 87 THR CA C 105 66.108 66.108 66.577 -0.469 18167 13082 1 14 . 1 1 87 87 THR CB C 105 68.909 68.909 68.426 0.483 18167 13083 1 14 . 1 1 87 87 THR H H 105 7.667 7.667 7.914 -0.247 18167 13084 1 14 . 1 1 88 88 VAL N N 106 122.160 122.160 119.132 3.028 18167 13085 1 14 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.447 0.044 18167 13086 1 14 . 1 1 88 88 VAL C C 106 178.950 178.950 177.943 1.007 18167 13087 1 14 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.821 0.003 18167 13088 1 14 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.516 -0.007 18167 13089 1 14 . 1 1 88 88 VAL H H 106 7.600 7.600 7.842 -0.242 18167 13090 1 14 . 1 1 89 89 ASN N N 107 120.741 120.741 119.207 1.534 18167 13091 1 14 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.366 0.124 18167 13092 1 14 . 1 1 89 89 ASN C C 107 178.483 178.483 176.783 1.700 18167 13093 1 14 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.661 0.281 18167 13094 1 14 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.685 0.204 18167 13095 1 14 . 1 1 89 89 ASN H H 107 8.501 8.501 8.358 0.143 18167 13096 1 14 . 1 1 90 90 ASP N N 108 121.211 121.211 119.781 1.430 18167 13097 1 14 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.343 0.137 18167 13098 1 14 . 1 1 90 90 ASP C C 108 177.598 177.598 176.900 0.698 18167 13099 1 14 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.514 -0.147 18167 13100 1 14 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.755 -0.513 18167 13101 1 14 . 1 1 90 90 ASP H H 108 8.824 8.824 8.318 0.506 18167 13102 1 14 . 1 1 91 91 ALA N N 109 121.181 121.181 118.322 2.859 18167 13103 1 14 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.467 -0.075 18167 13104 1 14 . 1 1 91 91 ALA C C 109 177.936 177.936 177.721 0.215 18167 13105 1 14 . 1 1 91 91 ALA CA C 109 52.692 52.692 52.693 -0.001 18167 13106 1 14 . 1 1 91 91 ALA CB C 109 18.889 18.889 20.329 -1.440 18167 13107 1 14 . 1 1 91 91 ALA H H 109 7.507 7.507 7.364 0.143 18167 13108 1 14 . 1 1 92 92 SER N N 110 113.785 113.785 113.467 0.318 18167 13109 1 14 . 1 1 92 92 SER HA H 110 4.537 4.537 4.675 -0.138 18167 13110 1 14 . 1 1 92 92 SER C C 110 174.252 174.252 174.987 -0.735 18167 13111 1 14 . 1 1 92 92 SER CA C 110 58.565 58.565 57.264 1.300 18167 13112 1 14 . 1 1 92 92 SER CB C 110 64.795 64.795 64.032 0.763 18167 13113 1 14 . 1 1 92 92 SER H H 110 7.611 7.611 7.748 -0.137 18167 13114 1 14 . 1 1 93 93 GLN N N 111 119.994 119.994 119.988 0.006 18167 13115 1 14 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.238 0.185 18167 13116 1 14 . 1 1 93 93 GLN C C 111 176.441 176.441 177.114 -0.673 18167 13117 1 14 . 1 1 93 93 GLN CA C 111 55.792 55.792 56.614 -0.822 18167 13118 1 14 . 1 1 93 93 GLN CB C 111 28.843 28.843 27.636 1.207 18167 13119 1 14 . 1 1 93 93 GLN H H 111 8.414 8.414 8.200 0.214 18167 13120 1 14 . 1 1 94 94 GLY N N 112 107.948 107.948 109.973 -2.025 18167 13121 1 14 . 1 1 94 94 GLY C C 112 174.406 174.406 174.815 -0.409 18167 13122 1 14 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.015 -0.073 18167 13123 1 14 . 1 1 94 94 GLY H H 112 8.467 8.467 8.516 -0.049 18167 13124 1 14 . 1 1 95 95 ASP N N 113 119.500 119.500 118.827 0.673 18167 13125 1 14 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.753 -0.197 18167 13126 1 14 . 1 1 95 95 ASP C C 113 175.438 175.438 176.225 -0.787 18167 13127 1 14 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.692 -0.012 18167 13128 1 14 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.990 -1.796 18167 13129 1 14 . 1 1 95 95 ASP H H 113 8.423 8.423 8.404 0.019 18167 13130 1 14 . 1 1 96 96 ARG N N 114 118.992 118.992 120.894 -1.902 18167 13131 1 14 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.797 0.264 18167 13132 1 14 . 1 1 96 96 ARG C C 114 175.699 175.699 174.994 0.705 18167 13133 1 14 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.064 -1.021 18167 13134 1 14 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.509 1.131 18167 13135 1 14 . 1 1 96 96 ARG H H 114 7.507 7.507 8.142 -0.635 18167 13136 1 14 . 1 1 97 97 GLN N N 115 121.149 121.149 120.145 1.004 18167 13137 1 14 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.686 -0.017 18167 13138 1 14 . 1 1 97 97 GLN C C 115 173.696 173.696 174.112 -0.416 18167 13139 1 14 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.183 0.374 18167 13140 1 14 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.675 -1.602 18167 13141 1 14 . 1 1 97 97 GLN H H 115 8.814 8.814 8.771 0.043 18167 13142 1 14 . 1 1 98 98 ALA N N 116 129.789 129.789 125.330 4.459 18167 13143 1 14 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.251 0.065 18167 13144 1 14 . 1 1 98 98 ALA C C 116 176.503 176.503 176.317 0.186 18167 13145 1 14 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.468 0.346 18167 13146 1 14 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.663 0.379 18167 13147 1 14 . 1 1 98 98 ALA H H 116 9.836 9.836 8.562 1.274 18167 13148 1 14 . 1 1 99 99 GLU N N 117 122.780 122.780 123.452 -0.672 18167 13149 1 14 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.665 -0.062 18167 13150 1 14 . 1 1 99 99 GLU C C 117 174.361 174.361 175.144 -0.783 18167 13151 1 14 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.519 -0.199 18167 13152 1 14 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.227 0.085 18167 13153 1 14 . 1 1 99 99 GLU H H 117 9.252 9.252 8.731 0.521 18167 13154 1 14 . 1 1 100 100 LEU N N 118 127.043 127.043 128.729 -1.686 18167 13155 1 14 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.378 -0.071 18167 13156 1 14 . 1 1 100 100 LEU C C 118 176.338 176.338 176.462 -0.124 18167 13157 1 14 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.919 0.603 18167 13158 1 14 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.960 0.681 18167 13159 1 14 . 1 1 100 100 LEU H H 118 8.765 8.765 8.800 -0.035 18167 13160 1 14 . 1 1 101 101 ILE N N 119 128.101 128.101 127.193 0.908 18167 13161 1 14 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.879 0.217 18167 13162 1 14 . 1 1 101 101 ILE C C 119 175.634 175.634 176.617 -0.983 18167 13163 1 14 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.383 -0.980 18167 13164 1 14 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.672 0.386 18167 13165 1 14 . 1 1 101 101 ILE H H 119 9.244 9.244 8.534 0.710 18167 13166 1 14 . 1 1 102 102 ASN N N 120 114.715 114.715 115.432 -0.717 18167 13167 1 14 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.840 0.115 18167 13168 1 14 . 1 1 102 102 ASN C C 120 172.326 172.326 172.910 -0.584 18167 13169 1 14 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.629 0.744 18167 13170 1 14 . 1 1 102 102 ASN CB C 120 42.887 42.887 42.111 0.776 18167 13171 1 14 . 1 1 102 102 ASN H H 120 7.989 7.989 7.958 0.031 18167 13172 1 14 . 1 1 103 103 ALA N N 121 125.011 125.011 123.281 1.730 18167 13173 1 14 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.164 0.293 18167 13174 1 14 . 1 1 103 103 ALA C C 121 175.068 175.068 175.392 -0.324 18167 13175 1 14 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.182 0.177 18167 13176 1 14 . 1 1 103 103 ALA CB C 121 22.409 22.409 20.811 1.598 18167 13177 1 14 . 1 1 103 103 ALA H H 121 8.182 8.182 8.356 -0.174 18167 13178 1 14 . 1 1 104 104 GLU N N 122 121.148 121.148 120.675 0.473 18167 13179 1 14 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.685 0.010 18167 13180 1 14 . 1 1 104 104 GLU C C 122 173.666 173.666 173.987 -0.321 18167 13181 1 14 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.601 0.492 18167 13182 1 14 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.239 0.271 18167 13183 1 14 . 1 1 104 104 GLU H H 122 8.817 8.817 8.465 0.352 18167 13184 1 14 . 1 1 105 105 ALA N N 123 124.441 124.441 122.411 2.030 18167 13185 1 14 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.357 0.170 18167 13186 1 14 . 1 1 105 105 ALA C C 123 176.479 176.479 176.483 -0.004 18167 13187 1 14 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.849 0.282 18167 13188 1 14 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.890 0.961 18167 13189 1 14 . 1 1 105 105 ALA H H 123 8.860 8.860 8.348 0.512 18167 13190 1 14 . 1 1 106 106 ARG N N 124 120.892 120.892 120.485 0.407 18167 13191 1 14 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.762 0.061 18167 13192 1 14 . 1 1 106 106 ARG C C 124 172.820 172.820 174.584 -1.764 18167 13193 1 14 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.807 -0.035 18167 13194 1 14 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.916 -0.646 18167 13195 1 14 . 1 1 106 106 ARG H H 124 9.209 9.209 9.033 0.176 18167 13196 1 14 . 1 1 107 107 ASP N N 125 122.706 122.706 123.514 -0.808 18167 13197 1 14 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.691 -0.452 18167 13198 1 14 . 1 1 107 107 ASP C C 125 176.097 176.097 175.726 0.371 18167 13199 1 14 . 1 1 107 107 ASP CA C 125 52.944 52.944 52.551 0.393 18167 13200 1 14 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.389 1.748 18167 13201 1 14 . 1 1 107 107 ASP H H 125 8.633 8.633 8.665 -0.032 18167 13202 1 14 . 1 1 108 108 GLU N N 126 126.120 126.120 123.669 2.451 18167 13203 1 14 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.627 0.078 18167 13204 1 14 . 1 1 108 108 GLU C C 126 175.768 175.768 176.197 -0.429 18167 13205 1 14 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.572 -0.555 18167 13206 1 14 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.809 -3.385 18167 13207 1 14 . 1 1 108 108 GLU H H 126 9.152 9.152 9.174 -0.022 18167 13208 1 14 . 1 1 109 109 ASP N N 127 126.277 126.277 122.392 3.885 18167 13209 1 14 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.403 -0.049 18167 13210 1 14 . 1 1 109 109 ASP C C 127 175.414 175.414 176.505 -1.091 18167 13211 1 14 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.106 0.284 18167 13212 1 14 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.365 0.877 18167 13213 1 14 . 1 1 109 109 ASP H H 127 9.067 9.067 9.182 -0.115 18167 13214 1 14 . 1 1 110 110 GLY N N 128 106.859 106.859 103.066 3.793 18167 13215 1 14 . 1 1 110 110 GLY C C 128 173.761 173.761 174.115 -0.354 18167 13216 1 14 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.328 -0.086 18167 13217 1 14 . 1 1 110 110 GLY H H 128 9.008 9.008 8.351 0.657 18167 13218 1 14 . 1 1 111 111 GLN N N 129 123.033 123.033 119.884 3.149 18167 13219 1 14 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.614 -0.231 18167 13220 1 14 . 1 1 111 111 GLN C C 129 173.901 173.901 174.376 -0.475 18167 13221 1 14 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.288 -0.352 18167 13222 1 14 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.090 -1.907 18167 13223 1 14 . 1 1 111 111 GLN H H 129 7.825 7.825 8.248 -0.423 18167 13224 1 14 . 1 1 112 112 VAL N N 130 128.263 128.263 121.714 6.549 18167 13225 1 14 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.905 -0.033 18167 13226 1 14 . 1 1 112 112 VAL C C 130 175.591 175.591 174.925 0.666 18167 13227 1 14 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.057 1.046 18167 13228 1 14 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.031 -0.658 18167 13229 1 14 . 1 1 112 112 VAL H H 130 8.330 8.330 8.290 0.040 18167 13230 1 14 . 1 1 113 113 TYR N N 131 126.702 126.702 124.986 1.716 18167 13231 1 14 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.876 0.174 18167 13232 1 14 . 1 1 113 113 TYR C C 131 175.477 175.477 174.988 0.489 18167 13233 1 14 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.133 0.290 18167 13234 1 14 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.494 0.995 18167 13235 1 14 . 1 1 113 113 TYR H H 131 9.136 9.136 9.397 -0.261 18167 13236 1 14 . 1 1 114 114 TYR N N 132 121.626 121.626 124.141 -2.515 18167 13237 1 14 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.126 0.704 18167 13238 1 14 . 1 1 114 114 TYR C C 132 175.368 175.368 175.581 -0.213 18167 13239 1 14 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.911 -1.843 18167 13240 1 14 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.184 -0.867 18167 13241 1 14 . 1 1 114 114 TYR H H 132 9.577 9.577 9.525 0.052 18167 13242 1 14 . 1 1 115 115 THR N N 133 120.018 120.018 121.598 -1.580 18167 13243 1 14 . 1 1 115 115 THR HA H 133 5.486 5.486 4.569 0.917 18167 13244 1 14 . 1 1 115 115 THR C C 133 174.327 174.327 172.961 1.366 18167 13245 1 14 . 1 1 115 115 THR CA C 133 61.648 61.648 62.358 -0.710 18167 13246 1 14 . 1 1 115 115 THR CB C 133 69.622 69.622 69.654 -0.032 18167 13247 1 14 . 1 1 115 115 THR H H 133 9.351 9.351 9.290 0.061 18167 13248 1 14 . 1 1 116 116 LEU N N 134 127.249 127.249 128.467 -1.218 18167 13249 1 14 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.772 0.523 18167 13250 1 14 . 1 1 116 116 LEU C C 134 174.347 174.347 174.441 -0.094 18167 13251 1 14 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.326 -1.698 18167 13252 1 14 . 1 1 116 116 LEU CB C 134 44.535 44.535 45.295 -0.760 18167 13253 1 14 . 1 1 116 116 LEU H H 134 10.010 10.010 9.242 0.768 18167 13254 1 14 . 1 1 117 117 GLU N N 135 124.969 124.969 125.461 -0.492 18167 13255 1 14 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.742 0.836 18167 13256 1 14 . 1 1 117 117 GLU C C 135 175.635 175.635 174.796 0.839 18167 13257 1 14 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.821 -0.682 18167 13258 1 14 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.763 -0.600 18167 13259 1 14 . 1 1 117 117 GLU H H 135 9.109 9.109 8.850 0.259 18167 13260 1 14 . 1 1 118 118 TYR N N 136 125.868 125.868 123.093 2.775 18167 13261 1 14 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.554 -0.279 18167 13262 1 14 . 1 1 118 118 TYR C C 136 170.317 170.317 172.635 -2.318 18167 13263 1 14 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.054 -0.043 18167 13264 1 14 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.206 0.310 18167 13265 1 14 . 1 1 118 118 TYR H H 136 8.973 8.973 8.329 0.644 18167 13266 1 14 . 1 1 119 119 ARG N N 137 115.256 115.256 116.912 -1.656 18167 13267 1 14 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.532 0.545 18167 13268 1 14 . 1 1 119 119 ARG C C 137 173.643 173.643 174.058 -0.415 18167 13269 1 14 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.227 -1.104 18167 13270 1 14 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.280 -1.095 18167 13271 1 14 . 1 1 119 119 ARG H H 137 8.920 8.920 8.886 0.034 18167 13272 1 14 . 1 1 120 120 VAL N N 138 119.767 119.767 121.099 -1.332 18167 13273 1 14 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.823 -0.037 18167 13274 1 14 . 1 1 120 120 VAL C C 138 174.355 174.355 174.497 -0.142 18167 13275 1 14 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.234 0.549 18167 13276 1 14 . 1 1 120 120 VAL CB C 138 34.162 34.162 32.774 1.388 18167 13277 1 14 . 1 1 120 120 VAL H H 138 8.430 8.430 8.673 -0.243 18167 13278 1 14 . 1 1 121 121 LEU N N 139 129.915 129.915 128.882 1.033 18167 13279 1 14 . 1 1 121 121 LEU HA H 139 5.085 5.085 4.870 0.215 18167 13280 1 14 . 1 1 121 121 LEU C C 139 176.376 176.376 175.061 1.315 18167 13281 1 14 . 1 1 121 121 LEU CA C 139 54.659 54.659 53.905 0.754 18167 13282 1 14 . 1 1 121 121 LEU CB C 139 44.122 44.122 44.650 -0.528 18167 13283 1 14 . 1 1 121 121 LEU H H 139 9.333 9.333 9.237 0.096 18167 13284 1 14 . 1 1 122 122 VAL N N 140 120.956 120.956 121.711 -0.755 18167 13285 1 14 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.415 -0.040 18167 13286 1 14 . 1 1 122 122 VAL C C 140 177.264 177.264 176.026 1.238 18167 13287 1 14 . 1 1 122 122 VAL CA C 140 61.468 61.468 59.155 2.313 18167 13288 1 14 . 1 1 122 122 VAL CB C 140 32.874 32.874 34.728 -1.854 18167 13289 1 14 . 1 1 122 122 VAL H H 140 8.655 8.655 8.844 -0.189 18167 13290 1 14 . 1 1 123 123 GLY N N 141 119.059 119.059 118.241 0.818 18167 13291 1 14 . 1 1 123 123 GLY C C 141 174.482 174.482 173.910 0.572 18167 13292 1 14 . 1 1 123 123 GLY CA C 141 47.168 47.168 47.222 -0.054 18167 13293 1 14 . 1 1 123 123 GLY H H 141 8.940 8.940 8.880 0.060 18167 13294 1 14 . 1 1 124 124 ASP N N 142 124.652 124.652 122.632 2.020 18167 13295 1 14 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.748 -0.114 18167 13296 1 14 . 1 1 124 124 ASP C C 142 175.588 175.588 175.177 0.411 18167 13297 1 14 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.328 1.062 18167 13298 1 14 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.811 0.453 18167 13299 1 14 . 1 1 124 124 ASP H H 142 8.722 8.722 8.548 0.174 18167 13300 1 14 . 1 1 125 125 ASN N N 143 118.203 118.203 118.462 -0.259 18167 13301 1 14 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.908 0.019 18167 13302 1 14 . 1 1 125 125 ASN C C 143 174.095 174.095 173.450 0.645 18167 13303 1 14 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.840 -0.434 18167 13304 1 14 . 1 1 125 125 ASN CB C 143 41.063 41.063 42.308 -1.245 18167 13305 1 14 . 1 1 125 125 ASN H H 143 8.023 8.023 8.340 -0.317 18167 13306 1 14 . 1 1 126 126 VAL N N 144 123.424 123.424 122.416 1.008 18167 13307 1 14 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.882 0.198 18167 13308 1 14 . 1 1 126 126 VAL C C 144 175.767 175.767 175.450 0.317 18167 13309 1 14 . 1 1 126 126 VAL CA C 144 63.309 63.309 63.084 0.225 18167 13310 1 14 . 1 1 126 126 VAL H H 144 8.857 8.857 8.655 0.202 18167 13311 1 14 . 1 1 127 127 GLU N N 145 130.709 130.709 129.321 1.388 18167 13312 1 14 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.224 0.181 18167 13313 1 14 . 1 1 127 127 GLU C C 145 176.522 176.522 176.269 0.253 18167 13314 1 14 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.002 -0.038 18167 13315 1 14 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.249 1.106 18167 13316 1 14 . 1 1 127 127 GLU H H 145 9.487 9.487 9.128 0.359 18167 13317 1 14 . 1 1 128 128 ARG N N 146 113.222 113.222 113.532 -0.310 18167 13318 1 14 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.473 0.588 18167 13319 1 14 . 1 1 128 128 ARG C C 146 172.055 172.055 173.584 -1.529 18167 13320 1 14 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.288 -0.907 18167 13321 1 14 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.300 1.691 18167 13322 1 14 . 1 1 128 128 ARG H H 146 7.657 7.657 7.473 0.184 18167 13323 1 14 . 1 1 129 129 HIS N N 147 125.158 125.158 117.581 7.577 18167 13324 1 14 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.523 0.109 18167 13325 1 14 . 1 1 129 129 HIS C C 147 172.407 172.407 173.262 -0.855 18167 13326 1 14 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.803 -1.607 18167 13327 1 14 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.346 0.590 18167 13328 1 14 . 1 1 129 129 HIS H H 147 9.295 9.295 8.419 0.876 18167 13329 1 14 . 1 1 130 130 ASP N N 148 122.383 122.383 121.338 1.045 18167 13330 1 14 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.008 1.119 18167 13331 1 14 . 1 1 130 130 ASP C C 148 174.350 174.350 173.553 0.797 18167 13332 1 14 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.782 -0.835 18167 13333 1 14 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.310 -1.342 18167 13334 1 14 . 1 1 130 130 ASP H H 148 8.879 8.879 8.048 0.831 18167 13335 1 14 . 1 1 131 131 LEU N N 149 121.444 121.444 124.100 -2.656 18167 13336 1 14 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.966 0.323 18167 13337 1 14 . 1 1 131 131 LEU C C 149 174.289 174.289 174.185 0.104 18167 13338 1 14 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.235 0.623 18167 13339 1 14 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.082 1.786 18167 13340 1 14 . 1 1 131 131 LEU H H 149 8.916 8.916 8.109 0.807 18167 13341 1 14 . 1 1 132 132 ALA N N 150 128.498 128.498 128.612 -0.114 18167 13342 1 14 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.560 0.470 18167 13343 1 14 . 1 1 132 132 ALA C C 150 176.044 176.044 175.757 0.287 18167 13344 1 14 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.033 -0.632 18167 13345 1 14 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.418 -0.595 18167 13346 1 14 . 1 1 132 132 ALA H H 150 9.920 9.920 9.182 0.738 18167 13347 1 14 . 1 1 133 133 SER N N 151 116.937 116.937 118.336 -1.399 18167 13348 1 14 . 1 1 133 133 SER HA H 151 5.812 5.812 5.431 0.381 18167 13349 1 14 . 1 1 133 133 SER C C 151 173.367 173.367 173.423 -0.056 18167 13350 1 14 . 1 1 133 133 SER CA C 151 56.394 56.394 57.333 -0.939 18167 13351 1 14 . 1 1 133 133 SER CB C 151 65.448 65.448 65.736 -0.288 18167 13352 1 14 . 1 1 133 133 SER H H 151 9.360 9.360 8.261 1.099 18167 13353 1 14 . 1 1 134 134 VAL N N 152 126.011 126.011 126.387 -0.376 18167 13354 1 14 . 1 1 134 134 VAL HA H 152 5.409 5.409 5.006 0.403 18167 13355 1 14 . 1 1 134 134 VAL C C 152 175.735 175.735 175.163 0.572 18167 13356 1 14 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.134 -0.971 18167 13357 1 14 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.006 1.914 18167 13358 1 14 . 1 1 134 134 VAL H H 152 9.558 9.558 9.198 0.360 18167 13359 1 14 . 1 1 135 135 THR N N 153 118.998 118.998 124.337 -5.339 18167 13360 1 14 . 1 1 135 135 THR HA H 153 4.723 4.723 4.810 -0.087 18167 13361 1 14 . 1 1 135 135 THR C C 153 171.746 171.746 173.129 -1.383 18167 13362 1 14 . 1 1 135 135 THR CA C 153 61.221 61.221 61.106 0.115 18167 13363 1 14 . 1 1 135 135 THR CB C 153 69.300 69.300 72.353 -3.053 18167 13364 1 14 . 1 1 135 135 THR H H 153 8.960 8.960 9.024 -0.064 18167 13365 1 14 . 1 1 136 136 THR N N 154 109.883 109.883 116.929 -7.046 18167 13366 1 14 . 1 1 136 136 THR HA H 154 5.636 5.636 5.302 0.334 18167 13367 1 14 . 1 1 136 136 THR C C 154 173.904 173.904 173.903 0.001 18167 13368 1 14 . 1 1 136 136 THR CA C 154 58.391 58.391 59.380 -0.989 18167 13369 1 14 . 1 1 136 136 THR CB C 154 71.387 71.387 70.132 1.255 18167 13370 1 14 . 1 1 136 136 THR H H 154 7.940 7.940 8.465 -0.525 18167 13371 1 14 . 1 1 137 137 ASN N N 155 115.138 115.138 121.851 -6.713 18167 13372 1 14 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.837 0.069 18167 13373 1 14 . 1 1 137 137 ASN C C 155 174.994 174.994 175.113 -0.119 18167 13374 1 14 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.117 1.228 18167 13375 1 14 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.485 1.322 18167 13376 1 14 . 1 1 137 137 ASN H H 155 8.938 8.938 8.518 0.420 18167 13377 1 14 . 1 1 138 138 ARG N N 156 125.040 125.040 123.974 1.066 18167 13378 1 14 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.991 -0.034 18167 13379 1 14 . 1 1 138 138 ARG C C 156 175.870 175.870 175.816 0.054 18167 13380 1 14 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.869 0.255 18167 13381 1 14 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.448 -0.789 18167 13382 1 14 . 1 1 138 138 ARG H H 156 9.364 9.364 8.968 0.396 18167 13383 1 14 . 1 1 139 139 GLY N N 157 104.408 104.408 102.203 2.205 18167 13384 1 14 . 1 1 139 139 GLY C C 157 173.563 173.563 173.614 -0.051 18167 13385 1 14 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.958 0.863 18167 13386 1 14 . 1 1 139 139 GLY H H 157 8.862 8.862 8.262 0.600 18167 13387 1 14 . 1 1 140 140 LYS N N 158 117.999 117.999 120.963 -2.964 18167 13388 1 14 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.583 0.377 18167 13389 1 14 . 1 1 140 140 LYS C C 158 174.527 174.527 175.144 -0.617 18167 13390 1 14 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.472 -0.750 18167 13391 1 14 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.083 1.781 18167 13392 1 14 . 1 1 140 140 LYS H H 158 7.718 7.718 7.853 -0.135 18167 13393 1 14 . 1 1 141 141 LEU N N 159 124.332 124.332 128.164 -3.832 18167 13394 1 14 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.397 0.233 18167 13395 1 14 . 1 1 141 141 LEU C C 159 175.337 175.337 174.949 0.388 18167 13396 1 14 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.328 -0.090 18167 13397 1 14 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.065 0.807 18167 13398 1 14 . 1 1 141 141 LEU H H 159 9.006 9.006 9.102 -0.096 18167 13399 1 14 . 1 1 142 142 ILE N N 160 128.619 128.619 127.639 0.980 18167 13400 1 14 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.408 0.321 18167 13401 1 14 . 1 1 142 142 ILE C C 160 173.414 173.414 174.775 -1.361 18167 13402 1 14 . 1 1 142 142 ILE CA C 160 61.233 61.233 58.531 2.702 18167 13403 1 14 . 1 1 142 142 ILE CB C 160 40.184 40.184 38.521 1.663 18167 13404 1 14 . 1 1 142 142 ILE H H 160 9.129 9.129 9.155 -0.026 18167 13405 1 14 . 1 1 143 143 THR N N 161 122.266 122.266 123.053 -0.787 18167 13406 1 14 . 1 1 143 143 THR HA H 161 4.797 4.797 5.211 -0.414 18167 13407 1 14 . 1 1 143 143 THR C C 161 171.903 171.903 173.274 -1.371 18167 13408 1 14 . 1 1 143 143 THR CA C 161 61.666 61.666 61.148 0.518 18167 13409 1 14 . 1 1 143 143 THR CB C 161 70.025 70.025 71.688 -1.663 18167 13410 1 14 . 1 1 143 143 THR H H 161 8.818 8.818 8.192 0.626 18167 13411 1 14 . 1 1 144 144 PHE N N 162 130.742 130.742 126.857 3.885 18167 13412 1 14 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.747 0.043 18167 13413 1 14 . 1 1 144 144 PHE C C 162 173.404 173.404 173.577 -0.173 18167 13414 1 14 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.384 -1.164 18167 13415 1 14 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.172 -1.432 18167 13416 1 14 . 1 1 144 144 PHE H H 162 9.219 9.219 8.707 0.512 18167 13417 1 14 . 1 1 145 145 ASP N N 163 127.154 127.154 126.805 0.349 18167 13418 1 14 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.308 -0.352 18167 13419 1 14 . 1 1 145 145 ASP C C 163 174.933 174.933 174.953 -0.020 18167 13420 1 14 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.515 -0.105 18167 13421 1 14 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.087 1.236 18167 13422 1 14 . 1 1 145 145 ASP H H 163 8.862 8.862 8.554 0.308 18167 13423 1 14 . 1 1 146 146 LEU N N 164 131.658 131.658 126.373 5.285 18167 13424 1 14 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.879 -0.284 18167 13425 1 14 . 1 1 146 146 LEU C C 164 174.511 174.511 175.763 -1.252 18167 13426 1 14 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.376 -0.405 18167 13427 1 14 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.065 -1.968 18167 13428 1 14 . 1 1 146 146 LEU H H 164 8.938 8.938 8.636 0.302 18167 13429 1 14 . 1 1 147 147 SER N N 165 114.966 114.966 118.867 -3.901 18167 13430 1 14 . 1 1 147 147 SER HA H 165 5.186 5.186 5.291 -0.105 18167 13431 1 14 . 1 1 147 147 SER C C 165 173.417 173.417 173.427 -0.010 18167 13432 1 14 . 1 1 147 147 SER CA C 165 56.600 56.600 57.563 -0.964 18167 13433 1 14 . 1 1 147 147 SER CB C 165 67.205 67.205 65.606 1.599 18167 13434 1 14 . 1 1 147 147 SER H H 165 8.995 8.995 9.121 -0.126 18167 13435 1 14 . 1 1 148 148 THR N N 166 118.620 118.620 119.279 -0.659 18167 13436 1 14 . 1 1 148 148 THR HA H 166 5.144 5.144 4.714 0.430 18167 13437 1 14 . 1 1 148 148 THR C C 166 173.151 173.151 172.590 0.561 18167 13438 1 14 . 1 1 148 148 THR CA C 166 60.362 60.362 61.937 -1.575 18167 13439 1 14 . 1 1 148 148 THR CB C 166 69.214 69.214 72.827 -3.613 18167 13440 1 14 . 1 1 148 148 THR H H 166 8.614 8.614 8.069 0.545 18167 13441 1 14 . 1 1 149 149 ALA N N 167 124.595 124.595 125.281 -0.686 18167 13442 1 14 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.303 0.302 18167 13443 1 14 . 1 1 149 149 ALA C C 167 179.460 179.460 178.550 0.910 18167 13444 1 14 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.773 -1.218 18167 13445 1 14 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.607 0.651 18167 13446 1 14 . 1 1 149 149 ALA H H 167 8.107 8.107 8.892 -0.785 18167 13447 1 14 . 1 1 150 150 GLU N N 168 123.906 123.906 122.367 1.539 18167 13448 1 14 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.017 0.481 18167 13449 1 14 . 1 1 150 150 GLU C C 168 178.587 178.587 177.985 0.602 18167 13450 1 14 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.284 -0.338 18167 13451 1 14 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.612 -0.905 18167 13452 1 14 . 1 1 150 150 GLU H H 168 8.471 8.471 9.023 -0.552 18167 13453 1 14 . 1 1 151 151 ASP N N 169 114.005 114.005 120.399 -6.394 18167 13454 1 14 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.442 0.041 18167 13455 1 14 . 1 1 151 151 ASP C C 169 177.260 177.260 177.909 -0.649 18167 13456 1 14 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.834 -0.916 18167 13457 1 14 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.901 -0.816 18167 13458 1 14 . 1 1 151 151 ASP H H 169 8.575 8.575 8.629 -0.054 18167 13459 1 14 . 1 1 152 152 ARG N N 170 118.283 118.283 118.487 -0.204 18167 13460 1 14 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.389 -0.058 18167 13461 1 14 . 1 1 152 152 ARG C C 170 177.094 177.094 177.631 -0.537 18167 13462 1 14 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.885 -1.049 18167 13463 1 14 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.410 1.574 18167 13464 1 14 . 1 1 152 152 ARG H H 170 7.663 7.663 8.104 -0.441 18167 13465 1 14 . 1 1 153 153 TRP N N 171 122.336 122.336 122.391 -0.055 18167 13466 1 14 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.520 -0.610 18167 13467 1 14 . 1 1 153 153 TRP C C 171 175.820 175.820 176.405 -0.585 18167 13468 1 14 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.233 -0.357 18167 13469 1 14 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.242 0.166 18167 13470 1 14 . 1 1 153 153 TRP H H 171 7.689 7.689 7.977 -0.288 18167 13471 1 14 . 1 1 154 154 ASP N N 172 114.179 114.179 116.771 -2.592 18167 13472 1 14 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.529 -0.512 18167 13473 1 14 . 1 1 154 154 ASP C C 172 178.442 178.442 179.179 -0.737 18167 13474 1 14 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.910 0.593 18167 13475 1 14 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.740 -0.576 18167 13476 1 14 . 1 1 154 154 ASP H H 172 8.690 8.690 8.220 0.470 18167 13477 1 14 . 1 1 155 155 THR N N 173 114.661 114.661 116.426 -1.765 18167 13478 1 14 . 1 1 155 155 THR HA H 173 3.990 3.990 4.145 -0.155 18167 13479 1 14 . 1 1 155 155 THR C C 173 175.985 175.985 175.913 0.072 18167 13480 1 14 . 1 1 155 155 THR CA C 173 65.585 65.585 65.543 0.042 18167 13481 1 14 . 1 1 155 155 THR CB C 173 69.076 69.076 69.132 -0.056 18167 13482 1 14 . 1 1 155 155 THR H H 173 7.635 7.635 7.845 -0.210 18167 13483 1 14 . 1 1 156 156 VAL N N 174 113.687 113.687 114.670 -0.983 18167 13484 1 14 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.301 -0.024 18167 13485 1 14 . 1 1 156 156 VAL C C 174 176.185 176.185 175.005 1.180 18167 13486 1 14 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.911 1.533 18167 13487 1 14 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.354 2.799 18167 13488 1 14 . 1 1 156 156 VAL H H 174 7.447 7.447 7.733 -0.286 18167 13489 1 14 . 1 1 157 157 LYS N N 175 123.084 123.084 120.887 2.197 18167 13490 1 14 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.461 -0.617 18167 13491 1 14 . 1 1 157 157 LYS C C 175 177.321 177.321 178.024 -0.703 18167 13492 1 14 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.927 0.292 18167 13493 1 14 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.550 -1.355 18167 13494 1 14 . 1 1 157 157 LYS H H 175 7.548 7.548 7.003 0.545 18167 13495 1 14 . 1 1 158 158 SER N N 176 114.046 114.046 114.370 -0.324 18167 13496 1 14 . 1 1 158 158 SER HA H 176 3.820 3.820 4.169 -0.349 18167 13497 1 14 . 1 1 158 158 SER C C 176 176.927 176.927 176.207 0.720 18167 13498 1 14 . 1 1 158 158 SER CA C 176 61.600 61.600 60.453 1.147 18167 13499 1 14 . 1 1 158 158 SER CB C 176 62.048 62.048 62.621 -0.573 18167 13500 1 14 . 1 1 158 158 SER H H 176 8.161 8.161 8.136 0.025 18167 13501 1 14 . 1 1 159 159 LEU N N 177 126.125 126.125 122.467 3.658 18167 13502 1 14 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.754 0.419 18167 13503 1 14 . 1 1 159 159 LEU C C 177 178.403 178.403 177.788 0.615 18167 13504 1 14 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.652 0.050 18167 13505 1 14 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.243 -0.167 18167 13506 1 14 . 1 1 159 159 LEU H H 177 7.587 7.587 6.875 0.712 18167 13507 1 14 . 1 1 160 160 PHE N N 178 119.582 119.582 117.368 2.214 18167 13508 1 14 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.916 0.366 18167 13509 1 14 . 1 1 160 160 PHE C C 178 177.277 177.277 177.704 -0.427 18167 13510 1 14 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.728 -3.018 18167 13511 1 14 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.493 -1.953 18167 13512 1 14 . 1 1 160 160 PHE H H 178 9.067 9.067 6.733 2.334 18167 13513 1 14 . 1 1 161 161 ASP N N 179 120.599 120.599 119.572 1.027 18167 13514 1 14 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.434 -0.094 18167 13515 1 14 . 1 1 161 161 ASP C C 179 179.216 179.216 178.912 0.304 18167 13516 1 14 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.275 0.627 18167 13517 1 14 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.119 0.838 18167 13518 1 14 . 1 1 161 161 ASP H H 179 8.578 8.578 7.654 0.924 18167 13519 1 14 . 1 1 162 162 THR N N 180 118.300 118.300 117.497 0.803 18167 13520 1 14 . 1 1 162 162 THR HA H 180 3.849 3.849 4.007 -0.158 18167 13521 1 14 . 1 1 162 162 THR C C 180 176.875 176.875 176.942 -0.067 18167 13522 1 14 . 1 1 162 162 THR CA C 180 66.977 66.977 66.782 0.195 18167 13523 1 14 . 1 1 162 162 THR CB C 180 68.886 68.886 68.737 0.149 18167 13524 1 14 . 1 1 162 162 THR H H 180 7.771 7.771 8.461 -0.690 18167 13525 1 14 . 1 1 163 163 VAL N N 181 123.234 123.234 121.770 1.464 18167 13526 1 14 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.520 0.074 18167 13527 1 14 . 1 1 163 163 VAL C C 181 180.016 180.016 177.312 2.704 18167 13528 1 14 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.594 0.162 18167 13529 1 14 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.302 0.410 18167 13530 1 14 . 1 1 163 163 VAL H H 181 8.831 8.831 8.398 0.433 18167 13531 1 14 . 1 1 164 164 ALA N N 182 124.654 124.654 120.872 3.782 18167 13532 1 14 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.433 0.830 18167 13533 1 14 . 1 1 164 164 ALA C C 182 180.510 180.510 179.510 1.000 18167 13534 1 14 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.872 1.587 18167 13535 1 14 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.039 -0.476 18167 13536 1 14 . 1 1 164 164 ALA H H 182 9.662 9.662 7.706 1.956 18167 13537 1 14 . 1 1 165 165 SER N N 183 112.325 112.325 113.322 -0.997 18167 13538 1 14 . 1 1 165 165 SER HA H 183 4.173 4.173 4.287 -0.114 18167 13539 1 14 . 1 1 165 165 SER C C 183 173.817 173.817 176.341 -2.524 18167 13540 1 14 . 1 1 165 165 SER CA C 183 61.155 61.155 60.790 0.365 18167 13541 1 14 . 1 1 165 165 SER CB C 183 63.140 63.140 63.043 0.097 18167 13542 1 14 . 1 1 165 165 SER H H 183 7.988 7.988 8.216 -0.228 18167 13543 1 14 . 1 1 166 166 SER N N 184 117.332 117.332 116.511 0.821 18167 13544 1 14 . 1 1 166 166 SER HA H 184 4.356 4.356 4.393 -0.037 18167 13545 1 14 . 1 1 166 166 SER C C 184 174.163 174.163 175.847 -1.684 18167 13546 1 14 . 1 1 166 166 SER CA C 184 59.502 59.502 59.957 -0.455 18167 13547 1 14 . 1 1 166 166 SER CB C 184 63.416 63.416 63.584 -0.168 18167 13548 1 14 . 1 1 166 166 SER H H 184 7.766 7.766 8.254 -0.488 18167 13549 1 14 . 1 1 167 167 PHE N N 185 124.827 124.827 121.517 3.310 18167 13550 1 14 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.584 0.579 18167 13551 1 14 . 1 1 167 167 PHE C C 185 174.545 174.545 175.168 -0.623 18167 13552 1 14 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.347 -0.845 18167 13553 1 14 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.360 -0.970 18167 13554 1 14 . 1 1 167 167 PHE H H 185 7.101 7.101 7.674 -0.573 18167 13555 1 14 . 1 1 168 168 HIS N N 186 127.050 127.050 120.466 6.584 18167 13556 1 14 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.599 0.554 18167 13557 1 14 . 1 1 168 168 HIS C C 186 172.836 172.836 173.440 -0.604 18167 13558 1 14 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.884 -0.728 18167 13559 1 14 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.999 -1.996 18167 13560 1 14 . 1 1 168 168 HIS H H 186 8.645 8.645 8.418 0.227 18167 13561 1 14 . 1 1 169 169 VAL N N 187 114.268 114.268 119.228 -4.960 18167 13562 1 14 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.248 -0.088 18167 13563 1 14 . 1 1 169 169 VAL C C 187 174.449 174.449 174.153 0.296 18167 13564 1 14 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.692 -0.339 18167 13565 1 14 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.992 -1.583 18167 13566 1 14 . 1 1 169 169 VAL H H 187 7.466 7.466 7.330 0.136 18167 13567 1 15 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.365 0.107 18167 13568 1 15 . 1 1 2 2 PRO C C 20 177.006 177.006 177.018 -0.012 18167 13569 1 15 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.551 -0.511 18167 13570 1 15 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.095 -0.031 18167 13571 1 15 . 1 1 3 3 LEU N N 21 122.423 122.423 119.779 2.644 18167 13572 1 15 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.366 -0.025 18167 13573 1 15 . 1 1 3 3 LEU C C 21 177.928 177.928 178.056 -0.128 18167 13574 1 15 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.480 -0.162 18167 13575 1 15 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.887 0.379 18167 13576 1 15 . 1 1 3 3 LEU H H 21 8.551 8.551 7.596 0.955 18167 13577 1 15 . 1 1 4 4 GLY N N 22 109.759 109.759 110.484 -0.725 18167 13578 1 15 . 1 1 4 4 GLY C C 22 174.309 174.309 174.219 0.090 18167 13579 1 15 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.900 0.330 18167 13580 1 15 . 1 1 4 4 GLY H H 22 8.423 8.423 8.803 -0.380 18167 13581 1 15 . 1 1 5 5 SER N N 23 115.538 115.538 115.938 -0.400 18167 13582 1 15 . 1 1 5 5 SER HA H 23 4.488 4.488 4.742 -0.254 18167 13583 1 15 . 1 1 5 5 SER C C 23 174.841 174.841 174.613 0.228 18167 13584 1 15 . 1 1 5 5 SER CA C 23 58.329 58.329 57.402 0.927 18167 13585 1 15 . 1 1 5 5 SER CB C 23 63.957 63.957 64.589 -0.632 18167 13586 1 15 . 1 1 5 5 SER H H 23 8.233 8.233 8.167 0.066 18167 13587 1 15 . 1 1 6 6 CYS N N 24 120.699 120.699 124.970 -4.271 18167 13588 1 15 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.771 -0.229 18167 13589 1 15 . 1 1 6 6 CYS C C 24 175.079 175.079 175.489 -0.410 18167 13590 1 15 . 1 1 6 6 CYS CA C 24 58.717 58.717 56.920 1.797 18167 13591 1 15 . 1 1 6 6 CYS CB C 24 27.969 27.969 26.824 1.145 18167 13592 1 15 . 1 1 6 6 CYS H H 24 8.493 8.493 8.662 -0.169 18167 13593 1 15 . 1 1 7 7 GLY N N 25 110.895 110.895 112.858 -1.963 18167 13594 1 15 . 1 1 7 7 GLY C C 25 174.402 174.402 174.550 -0.148 18167 13595 1 15 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.629 0.849 18167 13596 1 15 . 1 1 7 7 GLY H H 25 8.449 8.449 8.302 0.147 18167 13597 1 15 . 1 1 8 8 GLY N N 26 108.733 108.733 107.679 1.054 18167 13598 1 15 . 1 1 8 8 GLY C C 26 174.113 174.113 174.808 -0.695 18167 13599 1 15 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.959 0.222 18167 13600 1 15 . 1 1 8 8 GLY H H 26 8.236 8.236 8.077 0.159 18167 13601 1 15 . 1 1 9 9 VAL N N 27 118.903 118.903 118.483 0.420 18167 13602 1 15 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.138 -0.014 18167 13603 1 15 . 1 1 9 9 VAL C C 27 176.630 176.630 176.797 -0.167 18167 13604 1 15 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.507 -0.122 18167 13605 1 15 . 1 1 9 9 VAL CB C 27 32.521 32.521 31.973 0.548 18167 13606 1 15 . 1 1 9 9 VAL H H 27 8.019 8.019 7.702 0.317 18167 13607 1 15 . 1 1 10 10 GLY N N 28 112.317 112.317 115.089 -2.772 18167 13608 1 15 . 1 1 10 10 GLY C C 28 174.378 174.378 174.009 0.369 18167 13609 1 15 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.467 0.880 18167 13610 1 15 . 1 1 10 10 GLY H H 28 8.483 8.483 8.388 0.095 18167 13611 1 15 . 1 1 11 11 ILE N N 29 119.788 119.788 120.277 -0.489 18167 13612 1 15 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.238 -0.157 18167 13613 1 15 . 1 1 11 11 ILE C C 29 176.168 176.168 175.523 0.645 18167 13614 1 15 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.630 0.782 18167 13615 1 15 . 1 1 11 11 ILE CB C 29 38.557 38.557 36.647 1.910 18167 13616 1 15 . 1 1 11 11 ILE H H 29 7.948 7.948 8.389 -0.441 18167 13617 1 15 . 1 1 12 12 ALA N N 30 126.009 126.009 129.059 -3.050 18167 13618 1 15 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.333 -0.045 18167 13619 1 15 . 1 1 12 12 ALA C C 30 177.504 177.504 177.509 -0.005 18167 13620 1 15 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.632 0.233 18167 13621 1 15 . 1 1 12 12 ALA CB C 30 18.966 18.966 19.498 -0.532 18167 13622 1 15 . 1 1 12 12 ALA H H 30 8.247 8.247 8.595 -0.348 18167 13623 1 15 . 1 1 13 13 SER N N 31 113.949 113.949 115.664 -1.715 18167 13624 1 15 . 1 1 13 13 SER HA H 31 4.392 4.392 4.430 -0.038 18167 13625 1 15 . 1 1 13 13 SER C C 31 173.644 173.644 173.090 0.554 18167 13626 1 15 . 1 1 13 13 SER CA C 31 58.329 58.329 59.578 -1.249 18167 13627 1 15 . 1 1 13 13 SER CB C 31 63.609 63.609 63.399 0.210 18167 13628 1 15 . 1 1 13 13 SER H H 31 8.045 8.045 8.501 -0.456 18167 13629 1 15 . 1 1 14 14 LEU N N 32 122.240 122.240 119.909 2.331 18167 13630 1 15 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.313 0.232 18167 13631 1 15 . 1 1 14 14 LEU C C 32 176.001 176.001 175.704 0.297 18167 13632 1 15 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.697 0.180 18167 13633 1 15 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.628 0.617 18167 13634 1 15 . 1 1 14 14 LEU H H 32 7.749 7.749 7.381 0.368 18167 13635 1 15 . 1 1 15 15 GLN N N 33 120.685 120.685 120.178 0.507 18167 13636 1 15 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.570 -0.188 18167 13637 1 15 . 1 1 15 15 GLN C C 33 172.944 172.944 173.565 -0.621 18167 13638 1 15 . 1 1 15 15 GLN CA C 33 53.461 53.461 54.006 -0.545 18167 13639 1 15 . 1 1 15 15 GLN CB C 33 30.743 30.743 33.057 -2.314 18167 13640 1 15 . 1 1 15 15 GLN H H 33 8.780 8.780 8.148 0.632 18167 13641 1 15 . 1 1 16 16 ARG N N 34 120.341 120.341 119.389 0.952 18167 13642 1 15 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.676 0.228 18167 13643 1 15 . 1 1 16 16 ARG C C 34 175.846 175.846 174.656 1.190 18167 13644 1 15 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.815 0.887 18167 13645 1 15 . 1 1 16 16 ARG CB C 34 32.742 32.742 33.027 -0.285 18167 13646 1 15 . 1 1 16 16 ARG H H 34 8.274 8.274 8.436 -0.162 18167 13647 1 15 . 1 1 17 17 TYR N N 35 128.733 128.733 123.594 5.139 18167 13648 1 15 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.684 -0.126 18167 13649 1 15 . 1 1 17 17 TYR C C 35 173.307 173.307 173.131 0.176 18167 13650 1 15 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.772 -0.039 18167 13651 1 15 . 1 1 17 17 TYR CB C 35 41.583 41.583 42.137 -0.554 18167 13652 1 15 . 1 1 17 17 TYR H H 35 9.104 9.104 8.090 1.014 18167 13653 1 15 . 1 1 18 18 SER N N 36 119.150 119.150 119.000 0.150 18167 13654 1 15 . 1 1 18 18 SER HA H 36 4.786 4.786 4.810 -0.024 18167 13655 1 15 . 1 1 18 18 SER C C 36 172.002 172.002 172.529 -0.527 18167 13656 1 15 . 1 1 18 18 SER CA C 36 56.341 56.341 56.632 -0.291 18167 13657 1 15 . 1 1 18 18 SER CB C 36 65.327 65.327 65.259 0.068 18167 13658 1 15 . 1 1 18 18 SER H H 36 7.398 7.398 7.738 -0.340 18167 13659 1 15 . 1 1 19 19 ASP N N 37 124.935 124.935 124.880 0.055 18167 13660 1 15 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.942 -0.271 18167 13661 1 15 . 1 1 19 19 ASP C C 37 176.089 176.089 176.495 -0.406 18167 13662 1 15 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.531 -0.722 18167 13663 1 15 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.567 -1.102 18167 13664 1 15 . 1 1 19 19 ASP H H 37 8.607 8.607 8.460 0.147 18167 13665 1 15 . 1 1 20 20 THR N N 38 117.032 117.032 120.752 -3.720 18167 13666 1 15 . 1 1 20 20 THR HA H 38 4.316 4.316 3.935 0.381 18167 13667 1 15 . 1 1 20 20 THR C C 38 175.794 175.794 175.614 0.180 18167 13668 1 15 . 1 1 20 20 THR CA C 38 63.123 63.123 65.097 -1.974 18167 13669 1 15 . 1 1 20 20 THR CB C 38 68.905 68.905 68.978 -0.073 18167 13670 1 15 . 1 1 20 20 THR H H 38 8.470 8.470 8.604 -0.134 18167 13671 1 15 . 1 1 21 21 LYS N N 39 124.893 124.893 119.800 5.093 18167 13672 1 15 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.053 0.136 18167 13673 1 15 . 1 1 21 21 LYS C C 39 177.678 177.678 177.535 0.143 18167 13674 1 15 . 1 1 21 21 LYS CA C 39 58.795 58.795 58.742 0.053 18167 13675 1 15 . 1 1 21 21 LYS CB C 39 31.668 31.668 31.856 -0.188 18167 13676 1 15 . 1 1 21 21 LYS H H 39 8.201 8.201 7.766 0.435 18167 13677 1 15 . 1 1 22 22 ASP N N 40 118.183 118.183 116.551 1.632 18167 13678 1 15 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.533 0.288 18167 13679 1 15 . 1 1 22 22 ASP C C 40 176.752 176.752 177.343 -0.591 18167 13680 1 15 . 1 1 22 22 ASP CA C 40 54.879 54.879 53.449 1.430 18167 13681 1 15 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.881 0.988 18167 13682 1 15 . 1 1 22 22 ASP H H 40 8.480 8.480 8.209 0.271 18167 13683 1 15 . 1 1 23 23 GLY N N 41 108.978 108.978 108.143 0.835 18167 13684 1 15 . 1 1 23 23 GLY C C 41 172.396 172.396 173.232 -0.836 18167 13685 1 15 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.653 1.463 18167 13686 1 15 . 1 1 23 23 GLY H H 41 7.421 7.421 8.350 -0.929 18167 13687 1 15 . 1 1 24 24 TYR N N 42 112.046 112.046 116.091 -4.045 18167 13688 1 15 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.881 -0.487 18167 13689 1 15 . 1 1 24 24 TYR C C 42 173.028 173.028 172.992 0.036 18167 13690 1 15 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.361 1.471 18167 13691 1 15 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.491 0.363 18167 13692 1 15 . 1 1 24 24 TYR H H 42 7.506 7.506 7.817 -0.311 18167 13693 1 15 . 1 1 25 25 GLU N N 43 117.470 117.470 120.984 -3.514 18167 13694 1 15 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.031 0.437 18167 13695 1 15 . 1 1 25 25 GLU C C 43 173.311 173.311 174.361 -1.050 18167 13696 1 15 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.213 -0.982 18167 13697 1 15 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.962 -0.337 18167 13698 1 15 . 1 1 25 25 GLU H H 43 8.934 8.934 8.964 -0.030 18167 13699 1 15 . 1 1 26 26 PHE N N 44 112.795 112.795 117.524 -4.729 18167 13700 1 15 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.203 -0.361 18167 13701 1 15 . 1 1 26 26 PHE C C 44 172.776 172.776 173.237 -0.461 18167 13702 1 15 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.840 -0.224 18167 13703 1 15 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.564 -1.115 18167 13704 1 15 . 1 1 26 26 PHE H H 44 8.532 8.532 8.295 0.237 18167 13705 1 15 . 1 1 27 27 LEU N N 45 119.784 119.784 121.876 -2.092 18167 13706 1 15 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.928 0.592 18167 13707 1 15 . 1 1 27 27 LEU C C 45 174.965 174.965 176.284 -1.319 18167 13708 1 15 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.150 -1.376 18167 13709 1 15 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.548 1.101 18167 13710 1 15 . 1 1 27 27 LEU H H 45 9.241 9.241 8.871 0.370 18167 13711 1 15 . 1 1 28 28 TYR N N 46 113.008 113.008 118.033 -5.025 18167 13712 1 15 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.768 0.145 18167 13713 1 15 . 1 1 28 28 TYR C C 46 171.354 171.354 171.946 -0.592 18167 13714 1 15 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.603 0.154 18167 13715 1 15 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.767 -0.620 18167 13716 1 15 . 1 1 28 28 TYR H H 46 8.951 8.951 8.462 0.489 18167 13717 1 15 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.276 -0.269 18167 13718 1 15 . 1 1 29 29 PRO C C 47 176.165 176.165 176.325 -0.160 18167 13719 1 15 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.140 1.178 18167 13720 1 15 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.530 -1.190 18167 13721 1 15 . 1 1 30 30 ASN N N 48 119.923 119.923 118.857 1.066 18167 13722 1 15 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.301 -0.038 18167 13723 1 15 . 1 1 30 30 ASN C C 48 176.347 176.347 176.351 -0.004 18167 13724 1 15 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.190 2.011 18167 13725 1 15 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.806 0.782 18167 13726 1 15 . 1 1 30 30 ASN H H 48 8.163 8.163 8.545 -0.382 18167 13727 1 15 . 1 1 31 31 GLY N N 49 111.442 111.442 106.372 5.070 18167 13728 1 15 . 1 1 31 31 GLY C C 49 174.985 174.985 174.414 0.571 18167 13729 1 15 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.287 0.105 18167 13730 1 15 . 1 1 31 31 GLY H H 49 8.702 8.702 8.718 -0.016 18167 13731 1 15 . 1 1 32 32 TRP N N 50 122.100 122.100 121.186 0.914 18167 13732 1 15 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.380 -0.038 18167 13733 1 15 . 1 1 32 32 TRP C C 50 176.370 176.370 177.586 -1.216 18167 13734 1 15 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.611 0.682 18167 13735 1 15 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.053 0.051 18167 13736 1 15 . 1 1 32 32 TRP H H 50 8.008 8.008 7.708 0.300 18167 13737 1 15 . 1 1 33 33 ILE N N 51 117.163 117.163 119.638 -2.475 18167 13738 1 15 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.871 0.084 18167 13739 1 15 . 1 1 33 33 ILE C C 51 175.549 175.549 174.928 0.621 18167 13740 1 15 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.709 -0.481 18167 13741 1 15 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.301 0.788 18167 13742 1 15 . 1 1 33 33 ILE H H 51 9.249 9.249 9.080 0.169 18167 13743 1 15 . 1 1 34 34 GLY N N 52 111.812 111.812 111.003 0.809 18167 13744 1 15 . 1 1 34 34 GLY C C 52 173.956 173.956 173.991 -0.035 18167 13745 1 15 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.900 1.504 18167 13746 1 15 . 1 1 34 34 GLY H H 52 8.787 8.787 8.407 0.380 18167 13747 1 15 . 1 1 35 35 VAL N N 53 122.174 122.174 124.023 -1.849 18167 13748 1 15 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.211 -0.067 18167 13749 1 15 . 1 1 35 35 VAL C C 53 174.921 174.921 175.642 -0.721 18167 13750 1 15 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.415 0.242 18167 13751 1 15 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.841 0.199 18167 13752 1 15 . 1 1 35 35 VAL H H 53 7.763 7.763 8.532 -0.769 18167 13753 1 15 . 1 1 36 36 ASP N N 54 125.424 125.424 125.661 -0.237 18167 13754 1 15 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.572 0.017 18167 13755 1 15 . 1 1 36 36 ASP C C 54 176.890 176.890 176.147 0.743 18167 13756 1 15 . 1 1 36 36 ASP CA C 54 54.450 54.450 55.002 -0.552 18167 13757 1 15 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.119 0.054 18167 13758 1 15 . 1 1 36 36 ASP H H 54 8.425 8.425 8.560 -0.135 18167 13759 1 15 . 1 1 37 37 VAL N N 55 120.335 120.335 117.256 3.079 18167 13760 1 15 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.347 -0.179 18167 13761 1 15 . 1 1 37 37 VAL C C 55 176.785 176.785 175.594 1.191 18167 13762 1 15 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.746 0.173 18167 13763 1 15 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.220 -0.430 18167 13764 1 15 . 1 1 37 37 VAL H H 55 8.215 8.215 8.350 -0.135 18167 13765 1 15 . 1 1 38 38 LYS N N 56 124.881 124.881 122.462 2.419 18167 13766 1 15 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.106 0.096 18167 13767 1 15 . 1 1 38 38 LYS C C 56 177.828 177.828 177.716 0.112 18167 13768 1 15 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.929 0.074 18167 13769 1 15 . 1 1 38 38 LYS CB C 56 31.637 31.637 31.827 -0.190 18167 13770 1 15 . 1 1 38 38 LYS H H 56 8.331 8.331 8.174 0.157 18167 13771 1 15 . 1 1 39 39 GLY N N 57 111.152 111.152 112.099 -0.947 18167 13772 1 15 . 1 1 39 39 GLY C C 57 174.253 174.253 174.111 0.142 18167 13773 1 15 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.657 0.703 18167 13774 1 15 . 1 1 39 39 GLY H H 57 8.651 8.651 8.847 -0.196 18167 13775 1 15 . 1 1 40 40 ALA N N 58 123.085 123.085 122.498 0.587 18167 13776 1 15 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.484 -0.101 18167 13777 1 15 . 1 1 40 40 ALA C C 58 177.125 177.125 176.957 0.168 18167 13778 1 15 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.437 0.917 18167 13779 1 15 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.580 0.037 18167 13780 1 15 . 1 1 40 40 ALA H H 58 7.839 7.839 7.932 -0.093 18167 13781 1 15 . 1 1 41 41 SER N N 59 115.088 115.088 115.205 -0.117 18167 13782 1 15 . 1 1 41 41 SER HA H 59 4.688 4.688 4.523 0.165 18167 13783 1 15 . 1 1 41 41 SER C C 59 171.885 171.885 173.268 -1.383 18167 13784 1 15 . 1 1 41 41 SER CA C 59 56.951 56.951 57.392 -0.440 18167 13785 1 15 . 1 1 41 41 SER CB C 59 63.123 63.123 62.991 0.132 18167 13786 1 15 . 1 1 41 41 SER H H 59 8.186 8.186 8.232 -0.046 18167 13787 1 15 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.420 -0.071 18167 13788 1 15 . 1 1 42 42 PRO C C 60 177.660 177.660 177.192 0.468 18167 13789 1 15 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.705 0.520 18167 13790 1 15 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.938 -0.397 18167 13791 1 15 . 1 1 43 43 GLY N N 61 111.997 111.997 111.601 0.396 18167 13792 1 15 . 1 1 43 43 GLY C C 61 174.070 174.070 174.024 0.046 18167 13793 1 15 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.850 0.764 18167 13794 1 15 . 1 1 43 43 GLY H H 61 8.730 8.730 8.467 0.263 18167 13795 1 15 . 1 1 44 44 VAL N N 62 120.539 120.539 121.410 -0.871 18167 13796 1 15 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.769 0.508 18167 13797 1 15 . 1 1 44 44 VAL C C 62 175.277 175.277 175.133 0.144 18167 13798 1 15 . 1 1 44 44 VAL CA C 62 62.927 62.927 63.925 -0.998 18167 13799 1 15 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.643 -0.088 18167 13800 1 15 . 1 1 44 44 VAL H H 62 7.573 7.573 7.396 0.177 18167 13801 1 15 . 1 1 45 45 ASP N N 63 128.619 128.619 128.057 0.562 18167 13802 1 15 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.804 0.103 18167 13803 1 15 . 1 1 45 45 ASP C C 63 176.177 176.177 175.182 0.995 18167 13804 1 15 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.824 0.031 18167 13805 1 15 . 1 1 45 45 ASP CB C 63 44.275 44.275 42.555 1.720 18167 13806 1 15 . 1 1 45 45 ASP H H 63 9.084 9.084 8.284 0.800 18167 13807 1 15 . 1 1 46 46 VAL N N 64 115.687 115.687 115.537 0.150 18167 13808 1 15 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.250 0.060 18167 13809 1 15 . 1 1 46 46 VAL C C 64 172.853 172.853 173.084 -0.231 18167 13810 1 15 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.272 0.900 18167 13811 1 15 . 1 1 46 46 VAL CB C 64 35.908 35.908 34.406 1.502 18167 13812 1 15 . 1 1 46 46 VAL H H 64 7.314 7.314 7.246 0.068 18167 13813 1 15 . 1 1 47 47 VAL N N 65 124.933 124.933 124.957 -0.024 18167 13814 1 15 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.295 0.761 18167 13815 1 15 . 1 1 47 47 VAL C C 65 175.266 175.266 174.187 1.079 18167 13816 1 15 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.101 -0.019 18167 13817 1 15 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.278 2.389 18167 13818 1 15 . 1 1 47 47 VAL H H 65 8.146 8.146 7.736 0.410 18167 13819 1 15 . 1 1 48 48 PHE N N 66 122.916 122.916 126.008 -3.092 18167 13820 1 15 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.406 0.085 18167 13821 1 15 . 1 1 48 48 PHE C C 66 174.371 174.371 174.294 0.077 18167 13822 1 15 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.391 0.138 18167 13823 1 15 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.385 1.774 18167 13824 1 15 . 1 1 48 48 PHE H H 66 8.469 8.469 8.492 -0.023 18167 13825 1 15 . 1 1 49 49 ARG N N 67 116.381 116.381 121.473 -5.092 18167 13826 1 15 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.590 -0.085 18167 13827 1 15 . 1 1 49 49 ARG C C 67 173.455 173.455 174.059 -0.604 18167 13828 1 15 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.421 -0.587 18167 13829 1 15 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.666 0.232 18167 13830 1 15 . 1 1 49 49 ARG H H 67 9.271 9.271 9.041 0.230 18167 13831 1 15 . 1 1 50 50 ASP N N 68 121.066 121.066 126.278 -5.212 18167 13832 1 15 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.467 -0.416 18167 13833 1 15 . 1 1 50 50 ASP C C 68 176.670 176.670 175.830 0.840 18167 13834 1 15 . 1 1 50 50 ASP CA C 68 54.616 54.616 54.273 0.343 18167 13835 1 15 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.096 1.805 18167 13836 1 15 . 1 1 50 50 ASP H H 68 7.165 7.165 8.097 -0.932 18167 13837 1 15 . 1 1 51 51 LEU N N 69 124.078 124.078 126.558 -2.480 18167 13838 1 15 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.179 -0.154 18167 13839 1 15 . 1 1 51 51 LEU C C 69 177.463 177.463 178.378 -0.915 18167 13840 1 15 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.864 -0.456 18167 13841 1 15 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.477 0.672 18167 13842 1 15 . 1 1 51 51 LEU H H 69 8.314 8.314 8.019 0.295 18167 13843 1 15 . 1 1 52 52 ILE N N 70 118.341 118.341 116.856 1.485 18167 13844 1 15 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.949 0.124 18167 13845 1 15 . 1 1 52 52 ILE C C 70 177.093 177.093 176.273 0.820 18167 13846 1 15 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.335 -1.477 18167 13847 1 15 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.086 1.534 18167 13848 1 15 . 1 1 52 52 ILE H H 70 8.178 8.178 8.272 -0.094 18167 13849 1 15 . 1 1 53 53 GLU N N 71 122.254 122.254 117.371 4.883 18167 13850 1 15 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.519 -0.135 18167 13851 1 15 . 1 1 53 53 GLU C C 71 176.084 176.084 176.562 -0.478 18167 13852 1 15 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.247 -0.439 18167 13853 1 15 . 1 1 53 53 GLU CB C 71 28.758 28.758 28.928 -0.170 18167 13854 1 15 . 1 1 53 53 GLU H H 71 8.974 8.974 8.075 0.899 18167 13855 1 15 . 1 1 54 54 ARG N N 72 121.414 121.414 123.787 -2.373 18167 13856 1 15 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.153 -0.171 18167 13857 1 15 . 1 1 54 54 ARG C C 72 176.478 176.478 176.714 -0.236 18167 13858 1 15 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.583 -0.343 18167 13859 1 15 . 1 1 54 54 ARG CB C 72 29.964 29.964 29.515 0.449 18167 13860 1 15 . 1 1 54 54 ARG H H 72 8.052 8.052 8.837 -0.785 18167 13861 1 15 . 1 1 55 55 ASP N N 73 117.425 117.425 119.163 -1.738 18167 13862 1 15 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.478 -0.027 18167 13863 1 15 . 1 1 55 55 ASP C C 73 173.783 173.783 176.411 -2.628 18167 13864 1 15 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.179 -1.105 18167 13865 1 15 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.353 0.389 18167 13866 1 15 . 1 1 55 55 ASP H H 73 8.455 8.455 8.511 -0.056 18167 13867 1 15 . 1 1 56 56 GLU N N 74 124.050 124.050 118.388 5.662 18167 13868 1 15 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.613 0.886 18167 13869 1 15 . 1 1 56 56 GLU C C 74 174.110 174.110 175.714 -1.604 18167 13870 1 15 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.877 -0.399 18167 13871 1 15 . 1 1 56 56 GLU CB C 74 32.446 32.446 31.172 1.274 18167 13872 1 15 . 1 1 56 56 GLU H H 74 7.773 7.773 8.027 -0.254 18167 13873 1 15 . 1 1 57 57 ASN N N 75 119.794 119.794 120.016 -0.222 18167 13874 1 15 . 1 1 57 57 ASN HA H 75 4.763 4.763 5.091 -0.328 18167 13875 1 15 . 1 1 57 57 ASN C C 75 171.893 171.893 173.063 -1.170 18167 13876 1 15 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.850 0.113 18167 13877 1 15 . 1 1 57 57 ASN CB C 75 42.369 42.369 43.129 -0.760 18167 13878 1 15 . 1 1 57 57 ASN H H 75 8.891 8.891 9.119 -0.228 18167 13879 1 15 . 1 1 58 58 LEU N N 76 116.438 116.438 118.617 -2.179 18167 13880 1 15 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.270 0.071 18167 13881 1 15 . 1 1 58 58 LEU C C 76 174.630 174.630 174.523 0.107 18167 13882 1 15 . 1 1 58 58 LEU CA C 76 52.828 52.828 54.443 -1.615 18167 13883 1 15 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.630 0.249 18167 13884 1 15 . 1 1 58 58 LEU H H 76 9.166 9.166 8.342 0.824 18167 13885 1 15 . 1 1 59 59 SER N N 77 114.543 114.543 116.214 -1.671 18167 13886 1 15 . 1 1 59 59 SER HA H 77 5.432 5.432 4.834 0.598 18167 13887 1 15 . 1 1 59 59 SER C C 77 172.602 172.602 172.751 -0.149 18167 13888 1 15 . 1 1 59 59 SER CA C 77 56.593 56.593 57.637 -1.044 18167 13889 1 15 . 1 1 59 59 SER CB C 77 66.720 66.720 66.019 0.702 18167 13890 1 15 . 1 1 59 59 SER H H 77 8.352 8.352 8.706 -0.354 18167 13891 1 15 . 1 1 60 60 VAL N N 78 122.017 122.017 123.290 -1.273 18167 13892 1 15 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.360 0.609 18167 13893 1 15 . 1 1 60 60 VAL C C 78 174.861 174.861 174.519 0.342 18167 13894 1 15 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.002 0.182 18167 13895 1 15 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.124 0.188 18167 13896 1 15 . 1 1 60 60 VAL H H 78 8.306 8.306 8.232 0.075 18167 13897 1 15 . 1 1 61 61 ILE N N 79 128.458 128.458 128.363 0.095 18167 13898 1 15 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.623 0.098 18167 13899 1 15 . 1 1 61 61 ILE C C 79 175.639 175.639 174.475 1.164 18167 13900 1 15 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.592 -0.348 18167 13901 1 15 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.445 0.841 18167 13902 1 15 . 1 1 61 61 ILE H H 79 9.193 9.193 7.812 1.381 18167 13903 1 15 . 1 1 62 62 ILE N N 80 129.957 129.957 127.515 2.442 18167 13904 1 15 . 1 1 62 62 ILE HA H 80 5.042 5.042 4.960 0.082 18167 13905 1 15 . 1 1 62 62 ILE C C 80 175.727 175.727 174.943 0.784 18167 13906 1 15 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.874 0.284 18167 13907 1 15 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.361 -0.584 18167 13908 1 15 . 1 1 62 62 ILE H H 80 9.140 9.140 8.897 0.243 18167 13909 1 15 . 1 1 63 63 SER N N 81 122.084 122.084 121.211 0.873 18167 13910 1 15 . 1 1 63 63 SER HA H 81 4.878 4.878 4.753 0.125 18167 13911 1 15 . 1 1 63 63 SER C C 81 172.933 172.933 172.249 0.684 18167 13912 1 15 . 1 1 63 63 SER CA C 81 56.689 56.689 57.188 -0.499 18167 13913 1 15 . 1 1 63 63 SER CB C 81 65.862 65.862 66.542 -0.680 18167 13914 1 15 . 1 1 63 63 SER H H 81 9.079 9.079 8.720 0.359 18167 13915 1 15 . 1 1 64 64 GLU N N 82 121.983 121.983 121.755 0.228 18167 13916 1 15 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.824 -0.232 18167 13917 1 15 . 1 1 64 64 GLU C C 82 176.501 176.501 176.345 0.156 18167 13918 1 15 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.130 1.711 18167 13919 1 15 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.209 -0.699 18167 13920 1 15 . 1 1 64 64 GLU H H 82 8.664 8.664 8.535 0.129 18167 13921 1 15 . 1 1 65 65 ILE N N 83 121.194 121.194 120.759 0.435 18167 13922 1 15 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.570 0.007 18167 13923 1 15 . 1 1 65 65 ILE C C 83 173.233 173.233 174.275 -1.042 18167 13924 1 15 . 1 1 65 65 ILE CA C 83 58.798 58.798 57.837 0.961 18167 13925 1 15 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.835 1.653 18167 13926 1 15 . 1 1 65 65 ILE H H 83 8.271 8.271 7.955 0.316 18167 13927 1 15 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.626 -0.175 18167 13928 1 15 . 1 1 66 66 PRO C C 84 177.697 177.697 177.889 -0.192 18167 13929 1 15 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.420 0.777 18167 13930 1 15 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.995 -0.930 18167 13931 1 15 . 1 1 67 67 SER N N 85 116.018 116.018 118.481 -2.463 18167 13932 1 15 . 1 1 67 67 SER HA H 85 4.149 4.149 4.177 -0.028 18167 13933 1 15 . 1 1 67 67 SER C C 85 174.387 174.387 174.845 -0.458 18167 13934 1 15 . 1 1 67 67 SER CA C 85 60.348 60.348 60.508 -0.160 18167 13935 1 15 . 1 1 67 67 SER CB C 85 63.402 63.402 63.328 0.075 18167 13936 1 15 . 1 1 67 67 SER H H 85 8.465 8.465 8.666 -0.201 18167 13937 1 15 . 1 1 68 68 ASP N N 86 118.568 118.568 119.305 -0.737 18167 13938 1 15 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.573 -0.015 18167 13939 1 15 . 1 1 68 68 ASP C C 86 175.732 175.732 175.802 -0.070 18167 13940 1 15 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.263 -1.453 18167 13941 1 15 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.902 -0.684 18167 13942 1 15 . 1 1 68 68 ASP H H 86 8.531 8.531 8.421 0.110 18167 13943 1 15 . 1 1 69 69 LYS N N 87 119.225 119.225 117.249 1.976 18167 13944 1 15 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.762 -0.080 18167 13945 1 15 . 1 1 69 69 LYS C C 87 175.814 175.814 174.914 0.900 18167 13946 1 15 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.248 -0.387 18167 13947 1 15 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.855 -2.149 18167 13948 1 15 . 1 1 69 69 LYS H H 87 7.653 7.653 7.491 0.162 18167 13949 1 15 . 1 1 70 70 THR N N 88 113.175 113.175 114.871 -1.696 18167 13950 1 15 . 1 1 70 70 THR HA H 88 4.529 4.529 4.556 -0.027 18167 13951 1 15 . 1 1 70 70 THR C C 88 175.278 175.278 175.670 -0.392 18167 13952 1 15 . 1 1 70 70 THR CA C 88 60.699 60.699 59.392 1.307 18167 13953 1 15 . 1 1 70 70 THR CB C 88 70.710 70.710 71.058 -0.348 18167 13954 1 15 . 1 1 70 70 THR H H 88 8.608 8.608 7.868 0.740 18167 13955 1 15 . 1 1 71 71 LEU N N 89 121.978 121.978 122.284 -0.306 18167 13956 1 15 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.901 0.036 18167 13957 1 15 . 1 1 71 71 LEU C C 89 177.698 177.698 177.874 -0.176 18167 13958 1 15 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.497 -0.733 18167 13959 1 15 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.711 0.784 18167 13960 1 15 . 1 1 71 71 LEU H H 89 7.998 7.998 8.908 -0.910 18167 13961 1 15 . 1 1 72 72 THR N N 90 106.680 106.680 109.520 -2.840 18167 13962 1 15 . 1 1 72 72 THR HA H 90 4.221 4.221 4.147 0.074 18167 13963 1 15 . 1 1 72 72 THR C C 90 176.248 176.248 175.592 0.656 18167 13964 1 15 . 1 1 72 72 THR CA C 90 63.648 63.648 64.845 -1.197 18167 13965 1 15 . 1 1 72 72 THR CB C 90 68.620 68.620 68.616 0.004 18167 13966 1 15 . 1 1 72 72 THR H H 90 7.798 7.798 7.885 -0.087 18167 13967 1 15 . 1 1 73 73 ASP N N 91 120.626 120.626 120.497 0.129 18167 13968 1 15 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.523 0.087 18167 13969 1 15 . 1 1 73 73 ASP C C 91 177.133 177.133 177.905 -0.772 18167 13970 1 15 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.999 -0.398 18167 13971 1 15 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.614 1.058 18167 13972 1 15 . 1 1 73 73 ASP H H 91 7.805 7.805 8.124 -0.319 18167 13973 1 15 . 1 1 74 74 LEU N N 92 120.238 120.238 119.149 1.089 18167 13974 1 15 . 1 1 74 74 LEU HA H 92 4.221 4.221 3.978 0.243 18167 13975 1 15 . 1 1 74 74 LEU C C 92 176.907 176.907 176.731 0.176 18167 13976 1 15 . 1 1 74 74 LEU CA C 92 55.643 55.643 57.348 -1.705 18167 13977 1 15 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.633 -1.309 18167 13978 1 15 . 1 1 74 74 LEU H H 92 8.182 8.182 8.265 -0.083 18167 13979 1 15 . 1 1 75 75 GLY N N 93 105.772 105.772 100.463 5.309 18167 13980 1 15 . 1 1 75 75 GLY C C 93 173.853 173.853 171.959 1.894 18167 13981 1 15 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.849 -0.821 18167 13982 1 15 . 1 1 75 75 GLY H H 93 7.713 7.713 7.388 0.325 18167 13983 1 15 . 1 1 76 76 THR N N 94 111.354 111.354 109.524 1.830 18167 13984 1 15 . 1 1 76 76 THR HA H 94 4.426 4.426 4.809 -0.383 18167 13985 1 15 . 1 1 76 76 THR C C 94 174.396 174.396 176.030 -1.634 18167 13986 1 15 . 1 1 76 76 THR CA C 94 61.220 61.220 60.154 1.066 18167 13987 1 15 . 1 1 76 76 THR CB C 94 71.400 71.400 71.833 -0.433 18167 13988 1 15 . 1 1 76 76 THR H H 94 8.842 8.842 8.195 0.647 18167 13989 1 15 . 1 1 77 77 ALA N N 95 122.586 122.586 123.245 -0.659 18167 13990 1 15 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.850 -0.524 18167 13991 1 15 . 1 1 77 77 ALA C C 95 179.120 179.120 179.444 -0.324 18167 13992 1 15 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.516 0.108 18167 13993 1 15 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.598 -0.619 18167 13994 1 15 . 1 1 77 77 ALA H H 95 8.861 8.861 8.868 -0.007 18167 13995 1 15 . 1 1 78 78 THR N N 96 110.298 110.298 114.685 -4.387 18167 13996 1 15 . 1 1 78 78 THR HA H 96 3.479 3.479 3.991 -0.512 18167 13997 1 15 . 1 1 78 78 THR C C 96 175.297 175.297 176.675 -1.378 18167 13998 1 15 . 1 1 78 78 THR CA C 96 66.314 66.314 66.781 -0.467 18167 13999 1 15 . 1 1 78 78 THR CB C 96 68.335 68.335 68.488 -0.153 18167 14000 1 15 . 1 1 78 78 THR H H 96 7.757 7.757 7.691 0.066 18167 14001 1 15 . 1 1 79 79 ASP N N 97 122.829 122.829 122.721 0.108 18167 14002 1 15 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.626 -0.214 18167 14003 1 15 . 1 1 79 79 ASP C C 97 179.693 179.693 178.807 0.886 18167 14004 1 15 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.286 0.708 18167 14005 1 15 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.793 -0.262 18167 14006 1 15 . 1 1 79 79 ASP H H 97 7.448 7.448 8.055 -0.607 18167 14007 1 15 . 1 1 80 80 VAL N N 98 121.175 121.175 119.222 1.953 18167 14008 1 15 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.718 -0.236 18167 14009 1 15 . 1 1 80 80 VAL C C 98 178.667 178.667 178.249 0.418 18167 14010 1 15 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.118 0.439 18167 14011 1 15 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.779 -0.271 18167 14012 1 15 . 1 1 80 80 VAL H H 98 8.390 8.390 8.727 -0.337 18167 14013 1 15 . 1 1 81 81 GLY N N 99 108.920 108.920 107.894 1.026 18167 14014 1 15 . 1 1 81 81 GLY C C 99 175.133 175.133 176.073 -0.940 18167 14015 1 15 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.200 1.850 18167 14016 1 15 . 1 1 81 81 GLY H H 99 8.630 8.630 7.734 0.896 18167 14017 1 15 . 1 1 82 82 TYR N N 100 121.598 121.598 122.235 -0.637 18167 14018 1 15 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.179 0.149 18167 14019 1 15 . 1 1 82 82 TYR C C 100 179.383 179.383 178.395 0.988 18167 14020 1 15 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.709 0.030 18167 14021 1 15 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.029 -0.930 18167 14022 1 15 . 1 1 82 82 TYR H H 100 8.880 8.880 8.068 0.812 18167 14023 1 15 . 1 1 83 83 ARG N N 101 121.436 121.436 118.408 3.028 18167 14024 1 15 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.964 0.123 18167 14025 1 15 . 1 1 83 83 ARG C C 101 178.906 178.906 178.638 0.268 18167 14026 1 15 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.597 -0.050 18167 14027 1 15 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.896 -0.273 18167 14028 1 15 . 1 1 83 83 ARG H H 101 8.102 8.102 8.076 0.026 18167 14029 1 15 . 1 1 84 84 PHE N N 102 121.581 121.581 121.429 0.152 18167 14030 1 15 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.184 0.203 18167 14031 1 15 . 1 1 84 84 PHE C C 102 177.731 177.731 177.051 0.680 18167 14032 1 15 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.359 -1.353 18167 14033 1 15 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.836 -0.595 18167 14034 1 15 . 1 1 84 84 PHE H H 102 8.511 8.511 7.902 0.609 18167 14035 1 15 . 1 1 85 85 MET N N 103 117.909 117.909 119.118 -1.209 18167 14036 1 15 . 1 1 85 85 MET HA H 103 3.850 3.850 3.791 0.059 18167 14037 1 15 . 1 1 85 85 MET C C 103 178.063 178.063 178.065 -0.002 18167 14038 1 15 . 1 1 85 85 MET CA C 103 57.352 57.352 57.732 -0.380 18167 14039 1 15 . 1 1 85 85 MET CB C 103 33.654 33.654 31.315 2.339 18167 14040 1 15 . 1 1 85 85 MET H H 103 8.350 8.350 7.873 0.477 18167 14041 1 15 . 1 1 86 86 LYS N N 104 118.874 118.874 119.365 -0.491 18167 14042 1 15 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.894 0.110 18167 14043 1 15 . 1 1 86 86 LYS C C 104 177.910 177.910 178.853 -0.943 18167 14044 1 15 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.950 -0.502 18167 14045 1 15 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.321 -0.636 18167 14046 1 15 . 1 1 86 86 LYS H H 104 7.578 7.578 7.749 -0.171 18167 14047 1 15 . 1 1 87 87 THR N N 105 114.567 114.567 116.701 -2.134 18167 14048 1 15 . 1 1 87 87 THR HA H 105 3.949 3.949 3.910 0.039 18167 14049 1 15 . 1 1 87 87 THR C C 105 176.912 176.912 176.804 0.108 18167 14050 1 15 . 1 1 87 87 THR CA C 105 66.108 66.108 66.764 -0.656 18167 14051 1 15 . 1 1 87 87 THR CB C 105 68.909 68.909 68.354 0.555 18167 14052 1 15 . 1 1 87 87 THR H H 105 7.667 7.667 7.993 -0.326 18167 14053 1 15 . 1 1 88 88 VAL N N 106 122.160 122.160 120.405 1.755 18167 14054 1 15 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.457 0.034 18167 14055 1 15 . 1 1 88 88 VAL C C 106 178.950 178.950 178.063 0.887 18167 14056 1 15 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.800 0.024 18167 14057 1 15 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.205 0.304 18167 14058 1 15 . 1 1 88 88 VAL H H 106 7.600 7.600 8.114 -0.514 18167 14059 1 15 . 1 1 89 89 ASN N N 107 120.741 120.741 119.208 1.533 18167 14060 1 15 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.365 0.125 18167 14061 1 15 . 1 1 89 89 ASN C C 107 178.483 178.483 176.920 1.563 18167 14062 1 15 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.499 0.443 18167 14063 1 15 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.882 0.008 18167 14064 1 15 . 1 1 89 89 ASN H H 107 8.501 8.501 8.404 0.097 18167 14065 1 15 . 1 1 90 90 ASP N N 108 121.211 121.211 119.874 1.337 18167 14066 1 15 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.290 0.190 18167 14067 1 15 . 1 1 90 90 ASP C C 108 177.598 177.598 177.032 0.566 18167 14068 1 15 . 1 1 90 90 ASP CA C 108 56.367 56.367 57.044 -0.677 18167 14069 1 15 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.860 -0.618 18167 14070 1 15 . 1 1 90 90 ASP H H 108 8.824 8.824 8.438 0.386 18167 14071 1 15 . 1 1 91 91 ALA N N 109 121.181 121.181 119.878 1.303 18167 14072 1 15 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.238 0.154 18167 14073 1 15 . 1 1 91 91 ALA C C 109 177.936 177.936 178.224 -0.288 18167 14074 1 15 . 1 1 91 91 ALA CA C 109 52.692 52.692 54.159 -1.467 18167 14075 1 15 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.228 -0.339 18167 14076 1 15 . 1 1 91 91 ALA H H 109 7.507 7.507 7.569 -0.062 18167 14077 1 15 . 1 1 92 92 SER N N 110 113.785 113.785 111.874 1.911 18167 14078 1 15 . 1 1 92 92 SER HA H 110 4.537 4.537 4.550 -0.013 18167 14079 1 15 . 1 1 92 92 SER C C 110 174.252 174.252 175.205 -0.953 18167 14080 1 15 . 1 1 92 92 SER CA C 110 58.565 58.565 57.544 1.020 18167 14081 1 15 . 1 1 92 92 SER CB C 110 64.795 64.795 63.951 0.844 18167 14082 1 15 . 1 1 92 92 SER H H 110 7.611 7.611 7.684 -0.073 18167 14083 1 15 . 1 1 93 93 GLN N N 111 119.994 119.994 123.576 -3.582 18167 14084 1 15 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.122 0.301 18167 14085 1 15 . 1 1 93 93 GLN C C 111 176.441 176.441 177.524 -1.083 18167 14086 1 15 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.763 -2.971 18167 14087 1 15 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.528 0.315 18167 14088 1 15 . 1 1 93 93 GLN H H 111 8.414 8.414 8.400 0.014 18167 14089 1 15 . 1 1 94 94 GLY N N 112 107.948 107.948 107.047 0.901 18167 14090 1 15 . 1 1 94 94 GLY C C 112 174.406 174.406 175.314 -0.908 18167 14091 1 15 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.934 -0.992 18167 14092 1 15 . 1 1 94 94 GLY H H 112 8.467 8.467 8.621 -0.154 18167 14093 1 15 . 1 1 95 95 ASP N N 113 119.500 119.500 119.885 -0.385 18167 14094 1 15 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.748 -0.192 18167 14095 1 15 . 1 1 95 95 ASP C C 113 175.438 175.438 175.470 -0.032 18167 14096 1 15 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.431 0.249 18167 14097 1 15 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.486 -2.292 18167 14098 1 15 . 1 1 95 95 ASP H H 113 8.423 8.423 7.746 0.677 18167 14099 1 15 . 1 1 96 96 ARG N N 114 118.992 118.992 121.960 -2.968 18167 14100 1 15 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.593 0.468 18167 14101 1 15 . 1 1 96 96 ARG C C 114 175.699 175.699 174.180 1.519 18167 14102 1 15 . 1 1 96 96 ARG CA C 114 55.043 55.043 55.945 -0.902 18167 14103 1 15 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.642 0.998 18167 14104 1 15 . 1 1 96 96 ARG H H 114 7.507 7.507 7.729 -0.222 18167 14105 1 15 . 1 1 97 97 GLN N N 115 121.149 121.149 123.834 -2.685 18167 14106 1 15 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.690 -0.021 18167 14107 1 15 . 1 1 97 97 GLN C C 115 173.696 173.696 173.806 -0.110 18167 14108 1 15 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.250 0.307 18167 14109 1 15 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.904 -1.831 18167 14110 1 15 . 1 1 97 97 GLN H H 115 8.814 8.814 8.234 0.580 18167 14111 1 15 . 1 1 98 98 ALA N N 116 129.789 129.789 124.381 5.408 18167 14112 1 15 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.261 0.055 18167 14113 1 15 . 1 1 98 98 ALA C C 116 176.503 176.503 176.522 -0.019 18167 14114 1 15 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.308 0.506 18167 14115 1 15 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.796 0.246 18167 14116 1 15 . 1 1 98 98 ALA H H 116 9.836 9.836 8.473 1.363 18167 14117 1 15 . 1 1 99 99 GLU N N 117 122.780 122.780 122.865 -0.085 18167 14118 1 15 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.696 -0.093 18167 14119 1 15 . 1 1 99 99 GLU C C 117 174.361 174.361 174.852 -0.491 18167 14120 1 15 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.254 0.066 18167 14121 1 15 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.097 0.214 18167 14122 1 15 . 1 1 99 99 GLU H H 117 9.252 9.252 8.825 0.427 18167 14123 1 15 . 1 1 100 100 LEU N N 118 127.043 127.043 128.549 -1.506 18167 14124 1 15 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.455 -0.148 18167 14125 1 15 . 1 1 100 100 LEU C C 118 176.338 176.338 176.282 0.056 18167 14126 1 15 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.919 0.603 18167 14127 1 15 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.933 0.708 18167 14128 1 15 . 1 1 100 100 LEU H H 118 8.765 8.765 8.875 -0.110 18167 14129 1 15 . 1 1 101 101 ILE N N 119 128.101 128.101 128.295 -0.194 18167 14130 1 15 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.956 0.140 18167 14131 1 15 . 1 1 101 101 ILE C C 119 175.634 175.634 176.580 -0.946 18167 14132 1 15 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.143 -0.740 18167 14133 1 15 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.787 0.271 18167 14134 1 15 . 1 1 101 101 ILE H H 119 9.244 9.244 8.505 0.739 18167 14135 1 15 . 1 1 102 102 ASN N N 120 114.715 114.715 115.073 -0.358 18167 14136 1 15 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.795 0.160 18167 14137 1 15 . 1 1 102 102 ASN C C 120 172.326 172.326 172.823 -0.497 18167 14138 1 15 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.858 0.515 18167 14139 1 15 . 1 1 102 102 ASN CB C 120 42.887 42.887 42.184 0.703 18167 14140 1 15 . 1 1 102 102 ASN H H 120 7.989 7.989 7.932 0.057 18167 14141 1 15 . 1 1 103 103 ALA N N 121 125.011 125.011 122.643 2.368 18167 14142 1 15 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.048 0.409 18167 14143 1 15 . 1 1 103 103 ALA C C 121 175.068 175.068 175.492 -0.424 18167 14144 1 15 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.520 -0.161 18167 14145 1 15 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.076 1.333 18167 14146 1 15 . 1 1 103 103 ALA H H 121 8.182 8.182 8.364 -0.182 18167 14147 1 15 . 1 1 104 104 GLU N N 122 121.148 121.148 120.744 0.404 18167 14148 1 15 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.515 0.180 18167 14149 1 15 . 1 1 104 104 GLU C C 122 173.666 173.666 174.129 -0.463 18167 14150 1 15 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.614 0.479 18167 14151 1 15 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.656 -0.146 18167 14152 1 15 . 1 1 104 104 GLU H H 122 8.817 8.817 8.322 0.495 18167 14153 1 15 . 1 1 105 105 ALA N N 123 124.441 124.441 122.980 1.461 18167 14154 1 15 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.397 0.130 18167 14155 1 15 . 1 1 105 105 ALA C C 123 176.479 176.479 176.530 -0.051 18167 14156 1 15 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.631 0.500 18167 14157 1 15 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.816 1.036 18167 14158 1 15 . 1 1 105 105 ALA H H 123 8.860 8.860 8.352 0.508 18167 14159 1 15 . 1 1 106 106 ARG N N 124 120.892 120.892 120.256 0.636 18167 14160 1 15 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.691 0.132 18167 14161 1 15 . 1 1 106 106 ARG C C 124 172.820 172.820 174.595 -1.775 18167 14162 1 15 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.049 -0.277 18167 14163 1 15 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.166 -0.896 18167 14164 1 15 . 1 1 106 106 ARG H H 124 9.209 9.209 9.047 0.162 18167 14165 1 15 . 1 1 107 107 ASP N N 125 122.706 122.706 124.024 -1.318 18167 14166 1 15 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.648 -0.409 18167 14167 1 15 . 1 1 107 107 ASP C C 125 176.097 176.097 175.723 0.374 18167 14168 1 15 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.366 -0.422 18167 14169 1 15 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.909 1.229 18167 14170 1 15 . 1 1 107 107 ASP H H 125 8.633 8.633 8.657 -0.024 18167 14171 1 15 . 1 1 108 108 GLU N N 126 126.120 126.120 123.889 2.231 18167 14172 1 15 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.702 0.003 18167 14173 1 15 . 1 1 108 108 GLU C C 126 175.768 175.768 176.320 -0.552 18167 14174 1 15 . 1 1 108 108 GLU CA C 126 55.017 55.017 54.990 0.027 18167 14175 1 15 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.653 -3.229 18167 14176 1 15 . 1 1 108 108 GLU H H 126 9.152 9.152 9.390 -0.238 18167 14177 1 15 . 1 1 109 109 ASP N N 127 126.277 126.277 122.439 3.838 18167 14178 1 15 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.394 -0.040 18167 14179 1 15 . 1 1 109 109 ASP C C 127 175.414 175.414 176.654 -1.240 18167 14180 1 15 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.094 0.296 18167 14181 1 15 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.446 0.796 18167 14182 1 15 . 1 1 109 109 ASP H H 127 9.067 9.067 9.081 -0.014 18167 14183 1 15 . 1 1 110 110 GLY N N 128 106.859 106.859 103.063 3.796 18167 14184 1 15 . 1 1 110 110 GLY C C 128 173.761 173.761 174.145 -0.384 18167 14185 1 15 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.336 -0.094 18167 14186 1 15 . 1 1 110 110 GLY H H 128 9.008 9.008 8.352 0.656 18167 14187 1 15 . 1 1 111 111 GLN N N 129 123.033 123.033 119.870 3.163 18167 14188 1 15 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.628 -0.245 18167 14189 1 15 . 1 1 111 111 GLN C C 129 173.901 173.901 174.431 -0.530 18167 14190 1 15 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.404 -0.467 18167 14191 1 15 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.027 -1.845 18167 14192 1 15 . 1 1 111 111 GLN H H 129 7.825 7.825 8.315 -0.490 18167 14193 1 15 . 1 1 112 112 VAL N N 130 128.263 128.263 121.795 6.468 18167 14194 1 15 . 1 1 112 112 VAL HA H 130 4.872 4.872 5.050 -0.178 18167 14195 1 15 . 1 1 112 112 VAL C C 130 175.591 175.591 175.100 0.491 18167 14196 1 15 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.164 0.939 18167 14197 1 15 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.099 -0.726 18167 14198 1 15 . 1 1 112 112 VAL H H 130 8.330 8.330 8.335 -0.005 18167 14199 1 15 . 1 1 113 113 TYR N N 131 126.702 126.702 125.040 1.662 18167 14200 1 15 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.836 0.214 18167 14201 1 15 . 1 1 113 113 TYR C C 131 175.477 175.477 174.786 0.691 18167 14202 1 15 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.259 0.164 18167 14203 1 15 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.661 0.828 18167 14204 1 15 . 1 1 113 113 TYR H H 131 9.136 9.136 9.460 -0.324 18167 14205 1 15 . 1 1 114 114 TYR N N 132 121.626 121.626 124.111 -2.485 18167 14206 1 15 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.090 0.740 18167 14207 1 15 . 1 1 114 114 TYR C C 132 175.368 175.368 175.638 -0.270 18167 14208 1 15 . 1 1 114 114 TYR CA C 132 54.068 54.068 56.109 -2.041 18167 14209 1 15 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.961 -0.644 18167 14210 1 15 . 1 1 114 114 TYR H H 132 9.577 9.577 9.570 0.007 18167 14211 1 15 . 1 1 115 115 THR N N 133 120.018 120.018 121.259 -1.241 18167 14212 1 15 . 1 1 115 115 THR HA H 133 5.486 5.486 4.616 0.870 18167 14213 1 15 . 1 1 115 115 THR C C 133 174.327 174.327 172.735 1.592 18167 14214 1 15 . 1 1 115 115 THR CA C 133 61.648 61.648 62.368 -0.720 18167 14215 1 15 . 1 1 115 115 THR CB C 133 69.622 69.622 69.963 -0.341 18167 14216 1 15 . 1 1 115 115 THR H H 133 9.351 9.351 9.259 0.092 18167 14217 1 15 . 1 1 116 116 LEU N N 134 127.249 127.249 128.063 -0.814 18167 14218 1 15 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.764 0.531 18167 14219 1 15 . 1 1 116 116 LEU C C 134 174.347 174.347 174.344 0.003 18167 14220 1 15 . 1 1 116 116 LEU CA C 134 52.628 52.628 53.670 -1.042 18167 14221 1 15 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.553 -0.018 18167 14222 1 15 . 1 1 116 116 LEU H H 134 10.010 10.010 9.138 0.872 18167 14223 1 15 . 1 1 117 117 GLU N N 135 124.969 124.969 127.780 -2.811 18167 14224 1 15 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.605 0.973 18167 14225 1 15 . 1 1 117 117 GLU C C 135 175.635 175.635 174.884 0.751 18167 14226 1 15 . 1 1 117 117 GLU CA C 135 54.139 54.139 55.061 -0.922 18167 14227 1 15 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.099 0.064 18167 14228 1 15 . 1 1 117 117 GLU H H 135 9.109 9.109 8.451 0.658 18167 14229 1 15 . 1 1 118 118 TYR N N 136 125.868 125.868 123.007 2.861 18167 14230 1 15 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.455 -0.180 18167 14231 1 15 . 1 1 118 118 TYR C C 136 170.317 170.317 172.625 -2.308 18167 14232 1 15 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.041 -0.029 18167 14233 1 15 . 1 1 118 118 TYR CB C 136 42.516 42.516 41.980 0.536 18167 14234 1 15 . 1 1 118 118 TYR H H 136 8.973 8.973 8.646 0.327 18167 14235 1 15 . 1 1 119 119 ARG N N 137 115.256 115.256 117.129 -1.873 18167 14236 1 15 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.474 0.603 18167 14237 1 15 . 1 1 119 119 ARG C C 137 173.643 173.643 174.108 -0.465 18167 14238 1 15 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.436 -1.313 18167 14239 1 15 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.610 -1.425 18167 14240 1 15 . 1 1 119 119 ARG H H 137 8.920 8.920 8.764 0.156 18167 14241 1 15 . 1 1 120 120 VAL N N 138 119.767 119.767 117.567 2.200 18167 14242 1 15 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.218 -0.432 18167 14243 1 15 . 1 1 120 120 VAL C C 138 174.355 174.355 174.815 -0.460 18167 14244 1 15 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.084 1.699 18167 14245 1 15 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.429 0.733 18167 14246 1 15 . 1 1 120 120 VAL H H 138 8.430 8.430 8.345 0.085 18167 14247 1 15 . 1 1 121 121 LEU N N 139 129.915 129.915 122.188 7.727 18167 14248 1 15 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.228 -0.143 18167 14249 1 15 . 1 1 121 121 LEU C C 139 176.376 176.376 175.617 0.759 18167 14250 1 15 . 1 1 121 121 LEU CA C 139 54.659 54.659 53.996 0.663 18167 14251 1 15 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.691 -1.569 18167 14252 1 15 . 1 1 121 121 LEU H H 139 9.333 9.333 8.925 0.408 18167 14253 1 15 . 1 1 122 122 VAL N N 140 120.956 120.956 118.915 2.041 18167 14254 1 15 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.421 -0.046 18167 14255 1 15 . 1 1 122 122 VAL C C 140 177.264 177.264 177.204 0.060 18167 14256 1 15 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.313 1.155 18167 14257 1 15 . 1 1 122 122 VAL CB C 140 32.874 32.874 30.118 2.756 18167 14258 1 15 . 1 1 122 122 VAL H H 140 8.655 8.655 8.180 0.475 18167 14259 1 15 . 1 1 123 123 GLY N N 141 119.059 119.059 119.223 -0.164 18167 14260 1 15 . 1 1 123 123 GLY C C 141 174.482 174.482 174.111 0.371 18167 14261 1 15 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.319 0.849 18167 14262 1 15 . 1 1 123 123 GLY H H 141 8.940 8.940 8.306 0.634 18167 14263 1 15 . 1 1 124 124 ASP N N 142 124.652 124.652 125.086 -0.434 18167 14264 1 15 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.771 -0.137 18167 14265 1 15 . 1 1 124 124 ASP C C 142 175.588 175.588 175.147 0.441 18167 14266 1 15 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.596 0.794 18167 14267 1 15 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.051 0.213 18167 14268 1 15 . 1 1 124 124 ASP H H 142 8.722 8.722 8.460 0.262 18167 14269 1 15 . 1 1 125 125 ASN N N 143 118.203 118.203 118.772 -0.569 18167 14270 1 15 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.933 -0.006 18167 14271 1 15 . 1 1 125 125 ASN C C 143 174.095 174.095 173.702 0.393 18167 14272 1 15 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.005 0.401 18167 14273 1 15 . 1 1 125 125 ASN CB C 143 41.063 41.063 40.650 0.413 18167 14274 1 15 . 1 1 125 125 ASN H H 143 8.023 8.023 7.756 0.267 18167 14275 1 15 . 1 1 126 126 VAL N N 144 123.424 123.424 122.181 1.243 18167 14276 1 15 . 1 1 126 126 VAL HA H 144 4.080 4.080 4.020 0.060 18167 14277 1 15 . 1 1 126 126 VAL C C 144 175.767 175.767 175.525 0.242 18167 14278 1 15 . 1 1 126 126 VAL CA C 144 63.309 63.309 61.889 1.419 18167 14279 1 15 . 1 1 126 126 VAL H H 144 8.857 8.857 8.557 0.300 18167 14280 1 15 . 1 1 127 127 GLU N N 145 130.709 130.709 129.394 1.315 18167 14281 1 15 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.121 0.284 18167 14282 1 15 . 1 1 127 127 GLU C C 145 176.522 176.522 176.139 0.383 18167 14283 1 15 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.695 -0.731 18167 14284 1 15 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.976 1.379 18167 14285 1 15 . 1 1 127 127 GLU H H 145 9.487 9.487 9.056 0.431 18167 14286 1 15 . 1 1 128 128 ARG N N 146 113.222 113.222 112.497 0.725 18167 14287 1 15 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.457 0.604 18167 14288 1 15 . 1 1 128 128 ARG C C 146 172.055 172.055 173.854 -1.799 18167 14289 1 15 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.165 -0.784 18167 14290 1 15 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.661 1.330 18167 14291 1 15 . 1 1 128 128 ARG H H 146 7.657 7.657 7.541 0.116 18167 14292 1 15 . 1 1 129 129 HIS N N 147 125.158 125.158 117.381 7.777 18167 14293 1 15 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.391 0.241 18167 14294 1 15 . 1 1 129 129 HIS C C 147 172.407 172.407 173.068 -0.661 18167 14295 1 15 . 1 1 129 129 HIS CA C 147 54.196 54.196 54.888 -0.692 18167 14296 1 15 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.524 0.412 18167 14297 1 15 . 1 1 129 129 HIS H H 147 9.295 9.295 8.115 1.180 18167 14298 1 15 . 1 1 130 130 ASP N N 148 122.383 122.383 121.435 0.948 18167 14299 1 15 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.131 0.996 18167 14300 1 15 . 1 1 130 130 ASP C C 148 174.350 174.350 173.665 0.685 18167 14301 1 15 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.579 -0.632 18167 14302 1 15 . 1 1 130 130 ASP CB C 148 42.968 42.968 43.951 -0.983 18167 14303 1 15 . 1 1 130 130 ASP H H 148 8.879 8.879 8.337 0.542 18167 14304 1 15 . 1 1 131 131 LEU N N 149 121.444 121.444 124.386 -2.942 18167 14305 1 15 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.944 0.345 18167 14306 1 15 . 1 1 131 131 LEU C C 149 174.289 174.289 174.241 0.048 18167 14307 1 15 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.162 0.696 18167 14308 1 15 . 1 1 131 131 LEU CB C 149 47.868 47.868 45.975 1.893 18167 14309 1 15 . 1 1 131 131 LEU H H 149 8.916 8.916 8.405 0.511 18167 14310 1 15 . 1 1 132 132 ALA N N 150 128.498 128.498 129.112 -0.614 18167 14311 1 15 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.442 0.588 18167 14312 1 15 . 1 1 132 132 ALA C C 150 176.044 176.044 175.519 0.525 18167 14313 1 15 . 1 1 132 132 ALA CA C 150 49.401 49.401 49.991 -0.590 18167 14314 1 15 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.083 -0.260 18167 14315 1 15 . 1 1 132 132 ALA H H 150 9.920 9.920 9.258 0.662 18167 14316 1 15 . 1 1 133 133 SER N N 151 116.937 116.937 118.359 -1.422 18167 14317 1 15 . 1 1 133 133 SER HA H 151 5.812 5.812 5.510 0.302 18167 14318 1 15 . 1 1 133 133 SER C C 151 173.367 173.367 173.126 0.241 18167 14319 1 15 . 1 1 133 133 SER CA C 151 56.394 56.394 56.416 -0.022 18167 14320 1 15 . 1 1 133 133 SER CB C 151 65.448 65.448 65.323 0.125 18167 14321 1 15 . 1 1 133 133 SER H H 151 9.360 9.360 8.112 1.248 18167 14322 1 15 . 1 1 134 134 VAL N N 152 126.011 126.011 128.942 -2.931 18167 14323 1 15 . 1 1 134 134 VAL HA H 152 5.409 5.409 5.165 0.244 18167 14324 1 15 . 1 1 134 134 VAL C C 152 175.735 175.735 175.148 0.587 18167 14325 1 15 . 1 1 134 134 VAL CA C 152 60.163 60.163 60.927 -0.764 18167 14326 1 15 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.291 1.629 18167 14327 1 15 . 1 1 134 134 VAL H H 152 9.558 9.558 9.264 0.294 18167 14328 1 15 . 1 1 135 135 THR N N 153 118.998 118.998 123.326 -4.328 18167 14329 1 15 . 1 1 135 135 THR HA H 153 4.723 4.723 4.869 -0.146 18167 14330 1 15 . 1 1 135 135 THR C C 153 171.746 171.746 173.671 -1.925 18167 14331 1 15 . 1 1 135 135 THR CA C 153 61.221 61.221 61.214 0.007 18167 14332 1 15 . 1 1 135 135 THR CB C 153 69.300 69.300 72.167 -2.867 18167 14333 1 15 . 1 1 135 135 THR H H 153 8.960 8.960 9.238 -0.278 18167 14334 1 15 . 1 1 136 136 THR N N 154 109.883 109.883 116.593 -6.710 18167 14335 1 15 . 1 1 136 136 THR HA H 154 5.636 5.636 5.255 0.381 18167 14336 1 15 . 1 1 136 136 THR C C 154 173.904 173.904 173.762 0.142 18167 14337 1 15 . 1 1 136 136 THR CA C 154 58.391 58.391 59.947 -1.556 18167 14338 1 15 . 1 1 136 136 THR CB C 154 71.387 71.387 70.569 0.818 18167 14339 1 15 . 1 1 136 136 THR H H 154 7.940 7.940 8.293 -0.353 18167 14340 1 15 . 1 1 137 137 ASN N N 155 115.138 115.138 120.771 -5.633 18167 14341 1 15 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.810 0.096 18167 14342 1 15 . 1 1 137 137 ASN C C 155 174.994 174.994 174.971 0.023 18167 14343 1 15 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.498 0.847 18167 14344 1 15 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.688 1.119 18167 14345 1 15 . 1 1 137 137 ASN H H 155 8.938 8.938 8.301 0.637 18167 14346 1 15 . 1 1 138 138 ARG N N 156 125.040 125.040 126.106 -1.066 18167 14347 1 15 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.920 0.037 18167 14348 1 15 . 1 1 138 138 ARG C C 156 175.870 175.870 175.988 -0.118 18167 14349 1 15 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.202 -0.078 18167 14350 1 15 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.520 -0.861 18167 14351 1 15 . 1 1 138 138 ARG H H 156 9.364 9.364 9.143 0.221 18167 14352 1 15 . 1 1 139 139 GLY N N 157 104.408 104.408 102.859 1.549 18167 14353 1 15 . 1 1 139 139 GLY C C 157 173.563 173.563 174.277 -0.714 18167 14354 1 15 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.249 0.572 18167 14355 1 15 . 1 1 139 139 GLY H H 157 8.862 8.862 8.520 0.342 18167 14356 1 15 . 1 1 140 140 LYS N N 158 117.999 117.999 120.454 -2.455 18167 14357 1 15 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.653 0.307 18167 14358 1 15 . 1 1 140 140 LYS C C 158 174.527 174.527 175.017 -0.490 18167 14359 1 15 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.311 -0.589 18167 14360 1 15 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.532 1.332 18167 14361 1 15 . 1 1 140 140 LYS H H 158 7.718 7.718 7.859 -0.141 18167 14362 1 15 . 1 1 141 141 LEU N N 159 124.332 124.332 126.786 -2.454 18167 14363 1 15 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.494 0.136 18167 14364 1 15 . 1 1 141 141 LEU C C 159 175.337 175.337 175.049 0.288 18167 14365 1 15 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.127 0.111 18167 14366 1 15 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.393 0.479 18167 14367 1 15 . 1 1 141 141 LEU H H 159 9.006 9.006 9.130 -0.124 18167 14368 1 15 . 1 1 142 142 ILE N N 160 128.619 128.619 127.252 1.367 18167 14369 1 15 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.496 0.233 18167 14370 1 15 . 1 1 142 142 ILE C C 160 173.414 173.414 174.793 -1.379 18167 14371 1 15 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.565 0.668 18167 14372 1 15 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.752 -0.568 18167 14373 1 15 . 1 1 142 142 ILE H H 160 9.129 9.129 9.000 0.129 18167 14374 1 15 . 1 1 143 143 THR N N 161 122.266 122.266 122.955 -0.689 18167 14375 1 15 . 1 1 143 143 THR HA H 161 4.797 4.797 5.345 -0.548 18167 14376 1 15 . 1 1 143 143 THR C C 161 171.903 171.903 173.208 -1.305 18167 14377 1 15 . 1 1 143 143 THR CA C 161 61.666 61.666 60.739 0.927 18167 14378 1 15 . 1 1 143 143 THR CB C 161 70.025 70.025 71.488 -1.463 18167 14379 1 15 . 1 1 143 143 THR H H 161 8.818 8.818 8.329 0.489 18167 14380 1 15 . 1 1 144 144 PHE N N 162 130.742 130.742 126.853 3.889 18167 14381 1 15 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.791 -0.001 18167 14382 1 15 . 1 1 144 144 PHE C C 162 173.404 173.404 173.544 -0.140 18167 14383 1 15 . 1 1 144 144 PHE CA C 162 55.220 55.220 55.370 -0.150 18167 14384 1 15 . 1 1 144 144 PHE CB C 162 39.740 39.740 40.915 -1.175 18167 14385 1 15 . 1 1 144 144 PHE H H 162 9.219 9.219 8.917 0.302 18167 14386 1 15 . 1 1 145 145 ASP N N 163 127.154 127.154 128.211 -1.057 18167 14387 1 15 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.226 -0.270 18167 14388 1 15 . 1 1 145 145 ASP C C 163 174.933 174.933 174.958 -0.025 18167 14389 1 15 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.136 0.274 18167 14390 1 15 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.077 1.247 18167 14391 1 15 . 1 1 145 145 ASP H H 163 8.862 8.862 8.539 0.323 18167 14392 1 15 . 1 1 146 146 LEU N N 164 131.658 131.658 127.741 3.917 18167 14393 1 15 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.675 -0.080 18167 14394 1 15 . 1 1 146 146 LEU C C 164 174.511 174.511 175.247 -0.736 18167 14395 1 15 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.149 -0.178 18167 14396 1 15 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.069 -1.972 18167 14397 1 15 . 1 1 146 146 LEU H H 164 8.938 8.938 9.114 -0.176 18167 14398 1 15 . 1 1 147 147 SER N N 165 114.966 114.966 117.949 -2.983 18167 14399 1 15 . 1 1 147 147 SER HA H 165 5.186 5.186 5.233 -0.047 18167 14400 1 15 . 1 1 147 147 SER C C 165 173.417 173.417 173.040 0.377 18167 14401 1 15 . 1 1 147 147 SER CA C 165 56.600 56.600 56.988 -0.388 18167 14402 1 15 . 1 1 147 147 SER CB C 165 67.205 67.205 65.412 1.793 18167 14403 1 15 . 1 1 147 147 SER H H 165 8.995 8.995 9.289 -0.294 18167 14404 1 15 . 1 1 148 148 THR N N 166 118.620 118.620 122.327 -3.707 18167 14405 1 15 . 1 1 148 148 THR HA H 166 5.144 5.144 4.739 0.405 18167 14406 1 15 . 1 1 148 148 THR C C 166 173.151 173.151 172.708 0.443 18167 14407 1 15 . 1 1 148 148 THR CA C 166 60.362 60.362 61.589 -1.227 18167 14408 1 15 . 1 1 148 148 THR CB C 166 69.214 69.214 72.872 -3.658 18167 14409 1 15 . 1 1 148 148 THR H H 166 8.614 8.614 8.108 0.506 18167 14410 1 15 . 1 1 149 149 ALA N N 167 124.595 124.595 123.947 0.648 18167 14411 1 15 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.240 0.365 18167 14412 1 15 . 1 1 149 149 ALA C C 167 179.460 179.460 178.708 0.752 18167 14413 1 15 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.958 -1.402 18167 14414 1 15 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.520 0.737 18167 14415 1 15 . 1 1 149 149 ALA H H 167 8.107 8.107 8.664 -0.557 18167 14416 1 15 . 1 1 150 150 GLU N N 168 123.906 123.906 122.603 1.303 18167 14417 1 15 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.720 0.778 18167 14418 1 15 . 1 1 150 150 GLU C C 168 178.587 178.587 177.598 0.989 18167 14419 1 15 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.811 0.135 18167 14420 1 15 . 1 1 150 150 GLU CB C 168 28.707 28.707 28.984 -0.277 18167 14421 1 15 . 1 1 150 150 GLU H H 168 8.471 8.471 8.892 -0.421 18167 14422 1 15 . 1 1 151 151 ASP N N 169 114.005 114.005 121.028 -7.023 18167 14423 1 15 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.437 0.046 18167 14424 1 15 . 1 1 151 151 ASP C C 169 177.260 177.260 177.742 -0.482 18167 14425 1 15 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.577 -0.659 18167 14426 1 15 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.150 -0.065 18167 14427 1 15 . 1 1 151 151 ASP H H 169 8.575 8.575 8.760 -0.185 18167 14428 1 15 . 1 1 152 152 ARG N N 170 118.283 118.283 118.588 -0.305 18167 14429 1 15 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.435 -0.104 18167 14430 1 15 . 1 1 152 152 ARG C C 170 177.094 177.094 177.607 -0.513 18167 14431 1 15 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.506 -0.670 18167 14432 1 15 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.069 1.915 18167 14433 1 15 . 1 1 152 152 ARG H H 170 7.663 7.663 8.181 -0.518 18167 14434 1 15 . 1 1 153 153 TRP N N 171 122.336 122.336 122.859 -0.523 18167 14435 1 15 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.512 -0.602 18167 14436 1 15 . 1 1 153 153 TRP C C 171 175.820 175.820 176.603 -0.783 18167 14437 1 15 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.281 -0.405 18167 14438 1 15 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.347 0.061 18167 14439 1 15 . 1 1 153 153 TRP H H 171 7.689 7.689 8.121 -0.432 18167 14440 1 15 . 1 1 154 154 ASP N N 172 114.179 114.179 116.778 -2.599 18167 14441 1 15 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.559 -0.542 18167 14442 1 15 . 1 1 154 154 ASP C C 172 178.442 178.442 179.297 -0.855 18167 14443 1 15 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.172 0.331 18167 14444 1 15 . 1 1 154 154 ASP CB C 172 40.164 40.164 41.147 -0.983 18167 14445 1 15 . 1 1 154 154 ASP H H 172 8.690 8.690 8.211 0.479 18167 14446 1 15 . 1 1 155 155 THR N N 173 114.661 114.661 116.154 -1.493 18167 14447 1 15 . 1 1 155 155 THR HA H 173 3.990 3.990 4.122 -0.132 18167 14448 1 15 . 1 1 155 155 THR C C 173 175.985 175.985 175.741 0.244 18167 14449 1 15 . 1 1 155 155 THR CA C 173 65.585 65.585 65.418 0.167 18167 14450 1 15 . 1 1 155 155 THR CB C 173 69.076 69.076 69.280 -0.204 18167 14451 1 15 . 1 1 155 155 THR H H 173 7.635 7.635 7.782 -0.147 18167 14452 1 15 . 1 1 156 156 VAL N N 174 113.687 113.687 113.727 -0.040 18167 14453 1 15 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.338 -0.061 18167 14454 1 15 . 1 1 156 156 VAL C C 174 176.185 176.185 175.211 0.974 18167 14455 1 15 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.172 1.272 18167 14456 1 15 . 1 1 156 156 VAL CB C 174 33.153 33.153 31.088 2.065 18167 14457 1 15 . 1 1 156 156 VAL H H 174 7.447 7.447 7.876 -0.429 18167 14458 1 15 . 1 1 157 157 LYS N N 175 123.084 123.084 120.797 2.287 18167 14459 1 15 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.518 -0.674 18167 14460 1 15 . 1 1 157 157 LYS C C 175 177.321 177.321 177.952 -0.631 18167 14461 1 15 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.657 0.562 18167 14462 1 15 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.782 -1.587 18167 14463 1 15 . 1 1 157 157 LYS H H 175 7.548 7.548 7.171 0.377 18167 14464 1 15 . 1 1 158 158 SER N N 176 114.046 114.046 114.467 -0.421 18167 14465 1 15 . 1 1 158 158 SER HA H 176 3.820 3.820 4.176 -0.356 18167 14466 1 15 . 1 1 158 158 SER C C 176 176.927 176.927 176.214 0.713 18167 14467 1 15 . 1 1 158 158 SER CA C 176 61.600 61.600 60.479 1.121 18167 14468 1 15 . 1 1 158 158 SER CB C 176 62.048 62.048 62.645 -0.597 18167 14469 1 15 . 1 1 158 158 SER H H 176 8.161 8.161 8.131 0.030 18167 14470 1 15 . 1 1 159 159 LEU N N 177 126.125 126.125 122.521 3.604 18167 14471 1 15 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.752 0.421 18167 14472 1 15 . 1 1 159 159 LEU C C 177 178.403 178.403 177.797 0.606 18167 14473 1 15 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.662 0.040 18167 14474 1 15 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.245 -0.169 18167 14475 1 15 . 1 1 159 159 LEU H H 177 7.587 7.587 6.899 0.688 18167 14476 1 15 . 1 1 160 160 PHE N N 178 119.582 119.582 117.423 2.159 18167 14477 1 15 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.875 0.407 18167 14478 1 15 . 1 1 160 160 PHE C C 178 177.277 177.277 177.691 -0.414 18167 14479 1 15 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.644 -2.934 18167 14480 1 15 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.439 -1.899 18167 14481 1 15 . 1 1 160 160 PHE H H 178 9.067 9.067 6.732 2.335 18167 14482 1 15 . 1 1 161 161 ASP N N 179 120.599 120.599 119.759 0.840 18167 14483 1 15 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.428 -0.088 18167 14484 1 15 . 1 1 161 161 ASP C C 179 179.216 179.216 178.908 0.308 18167 14485 1 15 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.465 0.437 18167 14486 1 15 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.081 0.876 18167 14487 1 15 . 1 1 161 161 ASP H H 179 8.578 8.578 7.642 0.936 18167 14488 1 15 . 1 1 162 162 THR N N 180 118.300 118.300 117.774 0.526 18167 14489 1 15 . 1 1 162 162 THR HA H 180 3.849 3.849 4.035 -0.186 18167 14490 1 15 . 1 1 162 162 THR C C 180 176.875 176.875 176.807 0.068 18167 14491 1 15 . 1 1 162 162 THR CA C 180 66.977 66.977 66.751 0.226 18167 14492 1 15 . 1 1 162 162 THR CB C 180 68.886 68.886 68.751 0.135 18167 14493 1 15 . 1 1 162 162 THR H H 180 7.771 7.771 8.447 -0.676 18167 14494 1 15 . 1 1 163 163 VAL N N 181 123.234 123.234 121.823 1.411 18167 14495 1 15 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.517 0.077 18167 14496 1 15 . 1 1 163 163 VAL C C 181 180.016 180.016 177.621 2.395 18167 14497 1 15 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.954 -0.198 18167 14498 1 15 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.355 0.357 18167 14499 1 15 . 1 1 163 163 VAL H H 181 8.831 8.831 8.317 0.514 18167 14500 1 15 . 1 1 164 164 ALA N N 182 124.654 124.654 120.837 3.817 18167 14501 1 15 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.561 0.702 18167 14502 1 15 . 1 1 164 164 ALA C C 182 180.510 180.510 178.552 1.958 18167 14503 1 15 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.437 2.022 18167 14504 1 15 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.482 -0.919 18167 14505 1 15 . 1 1 164 164 ALA H H 182 9.662 9.662 7.996 1.666 18167 14506 1 15 . 1 1 165 165 SER N N 183 112.325 112.325 112.405 -0.080 18167 14507 1 15 . 1 1 165 165 SER HA H 183 4.173 4.173 4.509 -0.336 18167 14508 1 15 . 1 1 165 165 SER C C 183 173.817 173.817 176.079 -2.262 18167 14509 1 15 . 1 1 165 165 SER CA C 183 61.155 61.155 59.992 1.163 18167 14510 1 15 . 1 1 165 165 SER CB C 183 63.140 63.140 63.807 -0.667 18167 14511 1 15 . 1 1 165 165 SER H H 183 7.988 7.988 7.916 0.072 18167 14512 1 15 . 1 1 166 166 SER N N 184 117.332 117.332 116.742 0.590 18167 14513 1 15 . 1 1 166 166 SER HA H 184 4.356 4.356 4.450 -0.094 18167 14514 1 15 . 1 1 166 166 SER C C 184 174.163 174.163 175.968 -1.805 18167 14515 1 15 . 1 1 166 166 SER CA C 184 59.502 59.502 59.993 -0.491 18167 14516 1 15 . 1 1 166 166 SER CB C 184 63.416 63.416 63.374 0.042 18167 14517 1 15 . 1 1 166 166 SER H H 184 7.766 7.766 8.102 -0.336 18167 14518 1 15 . 1 1 167 167 PHE N N 185 124.827 124.827 121.560 3.267 18167 14519 1 15 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.884 0.279 18167 14520 1 15 . 1 1 167 167 PHE C C 185 174.545 174.545 174.913 -0.368 18167 14521 1 15 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.803 -0.301 18167 14522 1 15 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.671 -1.281 18167 14523 1 15 . 1 1 167 167 PHE H H 185 7.101 7.101 7.898 -0.797 18167 14524 1 15 . 1 1 168 168 HIS N N 186 127.050 127.050 120.162 6.888 18167 14525 1 15 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.616 0.537 18167 14526 1 15 . 1 1 168 168 HIS C C 186 172.836 172.836 173.407 -0.571 18167 14527 1 15 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.899 -0.743 18167 14528 1 15 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.923 -1.920 18167 14529 1 15 . 1 1 168 168 HIS H H 186 8.645 8.645 8.863 -0.218 18167 14530 1 15 . 1 1 169 169 VAL N N 187 114.268 114.268 118.566 -4.298 18167 14531 1 15 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.248 -0.088 18167 14532 1 15 . 1 1 169 169 VAL C C 187 174.449 174.449 174.224 0.225 18167 14533 1 15 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.961 -0.608 18167 14534 1 15 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.682 -1.273 18167 14535 1 15 . 1 1 169 169 VAL H H 187 7.466 7.466 7.560 -0.094 18167 14536 1 16 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.340 0.132 18167 14537 1 16 . 1 1 2 2 PRO C C 20 177.006 177.006 178.021 -1.015 18167 14538 1 16 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.891 -0.851 18167 14539 1 16 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.079 -0.015 18167 14540 1 16 . 1 1 3 3 LEU N N 21 122.423 122.423 115.084 7.339 18167 14541 1 16 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.292 0.049 18167 14542 1 16 . 1 1 3 3 LEU C C 21 177.928 177.928 177.415 0.513 18167 14543 1 16 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.313 0.005 18167 14544 1 16 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.691 0.575 18167 14545 1 16 . 1 1 3 3 LEU H H 21 8.551 8.551 7.847 0.704 18167 14546 1 16 . 1 1 4 4 GLY N N 22 109.759 109.759 105.288 4.471 18167 14547 1 16 . 1 1 4 4 GLY C C 22 174.309 174.309 171.917 2.392 18167 14548 1 16 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.934 0.296 18167 14549 1 16 . 1 1 4 4 GLY H H 22 8.423 8.423 7.459 0.964 18167 14550 1 16 . 1 1 5 5 SER N N 23 115.538 115.538 112.831 2.707 18167 14551 1 16 . 1 1 5 5 SER HA H 23 4.488 4.488 4.855 -0.367 18167 14552 1 16 . 1 1 5 5 SER C C 23 174.841 174.841 173.254 1.587 18167 14553 1 16 . 1 1 5 5 SER CA C 23 58.329 58.329 57.577 0.752 18167 14554 1 16 . 1 1 5 5 SER CB C 23 63.957 63.957 65.851 -1.894 18167 14555 1 16 . 1 1 5 5 SER H H 23 8.233 8.233 8.349 -0.116 18167 14556 1 16 . 1 1 6 6 CYS N N 24 120.699 120.699 121.735 -1.036 18167 14557 1 16 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.905 -0.363 18167 14558 1 16 . 1 1 6 6 CYS C C 24 175.079 175.079 173.918 1.161 18167 14559 1 16 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.522 0.195 18167 14560 1 16 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.216 -0.247 18167 14561 1 16 . 1 1 6 6 CYS H H 24 8.493 8.493 8.582 -0.089 18167 14562 1 16 . 1 1 7 7 GLY N N 25 110.895 110.895 112.848 -1.953 18167 14563 1 16 . 1 1 7 7 GLY C C 25 174.402 174.402 173.114 1.288 18167 14564 1 16 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.077 0.401 18167 14565 1 16 . 1 1 7 7 GLY H H 25 8.449 8.449 8.387 0.062 18167 14566 1 16 . 1 1 8 8 GLY N N 26 108.733 108.733 107.824 0.909 18167 14567 1 16 . 1 1 8 8 GLY C C 26 174.113 174.113 174.234 -0.121 18167 14568 1 16 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.764 0.416 18167 14569 1 16 . 1 1 8 8 GLY H H 26 8.236 8.236 8.191 0.045 18167 14570 1 16 . 1 1 9 9 VAL N N 27 118.903 118.903 118.879 0.024 18167 14571 1 16 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.121 0.003 18167 14572 1 16 . 1 1 9 9 VAL C C 27 176.630 176.630 176.893 -0.263 18167 14573 1 16 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.125 0.260 18167 14574 1 16 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.491 -0.970 18167 14575 1 16 . 1 1 9 9 VAL H H 27 8.019 8.019 8.138 -0.119 18167 14576 1 16 . 1 1 10 10 GLY N N 28 112.317 112.317 114.246 -1.929 18167 14577 1 16 . 1 1 10 10 GLY C C 28 174.378 174.378 175.282 -0.904 18167 14578 1 16 . 1 1 10 10 GLY CA C 28 45.346 45.346 45.431 -0.085 18167 14579 1 16 . 1 1 10 10 GLY H H 28 8.483 8.483 8.796 -0.313 18167 14580 1 16 . 1 1 11 11 ILE N N 29 119.788 119.788 117.364 2.424 18167 14581 1 16 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.143 -0.062 18167 14582 1 16 . 1 1 11 11 ILE C C 29 176.168 176.168 175.950 0.218 18167 14583 1 16 . 1 1 11 11 ILE CA C 29 61.412 61.412 62.438 -1.026 18167 14584 1 16 . 1 1 11 11 ILE CB C 29 38.557 38.557 38.101 0.456 18167 14585 1 16 . 1 1 11 11 ILE H H 29 7.948 7.948 8.040 -0.092 18167 14586 1 16 . 1 1 12 12 ALA N N 30 126.009 126.009 122.148 3.861 18167 14587 1 16 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.464 -0.176 18167 14588 1 16 . 1 1 12 12 ALA C C 30 177.504 177.504 175.840 1.664 18167 14589 1 16 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.227 1.638 18167 14590 1 16 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.660 -1.694 18167 14591 1 16 . 1 1 12 12 ALA H H 30 8.247 8.247 7.437 0.810 18167 14592 1 16 . 1 1 13 13 SER N N 31 113.949 113.949 114.703 -0.754 18167 14593 1 16 . 1 1 13 13 SER HA H 31 4.392 4.392 4.422 -0.030 18167 14594 1 16 . 1 1 13 13 SER C C 31 173.644 173.644 173.414 0.230 18167 14595 1 16 . 1 1 13 13 SER CA C 31 58.329 58.329 58.339 -0.010 18167 14596 1 16 . 1 1 13 13 SER CB C 31 63.609 63.609 63.522 0.087 18167 14597 1 16 . 1 1 13 13 SER H H 31 8.045 8.045 8.356 -0.311 18167 14598 1 16 . 1 1 14 14 LEU N N 32 122.240 122.240 125.889 -3.649 18167 14599 1 16 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.381 0.164 18167 14600 1 16 . 1 1 14 14 LEU C C 32 176.001 176.001 176.134 -0.133 18167 14601 1 16 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.743 0.134 18167 14602 1 16 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.876 0.369 18167 14603 1 16 . 1 1 14 14 LEU H H 32 7.749 7.749 8.279 -0.530 18167 14604 1 16 . 1 1 15 15 GLN N N 33 120.685 120.685 121.309 -0.624 18167 14605 1 16 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.659 -0.277 18167 14606 1 16 . 1 1 15 15 GLN C C 33 172.944 172.944 173.160 -0.216 18167 14607 1 16 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.736 -0.276 18167 14608 1 16 . 1 1 15 15 GLN CB C 33 30.743 30.743 32.093 -1.350 18167 14609 1 16 . 1 1 15 15 GLN H H 33 8.780 8.780 8.238 0.542 18167 14610 1 16 . 1 1 16 16 ARG N N 34 120.341 120.341 121.118 -0.777 18167 14611 1 16 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.670 0.234 18167 14612 1 16 . 1 1 16 16 ARG C C 34 175.846 175.846 174.937 0.909 18167 14613 1 16 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.092 0.610 18167 14614 1 16 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.826 -0.084 18167 14615 1 16 . 1 1 16 16 ARG H H 34 8.274 8.274 8.420 -0.146 18167 14616 1 16 . 1 1 17 17 TYR N N 35 128.733 128.733 128.071 0.662 18167 14617 1 16 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.640 -0.082 18167 14618 1 16 . 1 1 17 17 TYR C C 35 173.307 173.307 173.096 0.211 18167 14619 1 16 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.567 0.166 18167 14620 1 16 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.184 0.399 18167 14621 1 16 . 1 1 17 17 TYR H H 35 9.104 9.104 8.418 0.686 18167 14622 1 16 . 1 1 18 18 SER N N 36 119.150 119.150 119.781 -0.631 18167 14623 1 16 . 1 1 18 18 SER HA H 36 4.786 4.786 4.942 -0.156 18167 14624 1 16 . 1 1 18 18 SER C C 36 172.002 172.002 172.453 -0.451 18167 14625 1 16 . 1 1 18 18 SER CA C 36 56.341 56.341 56.462 -0.121 18167 14626 1 16 . 1 1 18 18 SER CB C 36 65.327 65.327 66.856 -1.529 18167 14627 1 16 . 1 1 18 18 SER H H 36 7.398 7.398 7.737 -0.339 18167 14628 1 16 . 1 1 19 19 ASP N N 37 124.935 124.935 122.747 2.188 18167 14629 1 16 . 1 1 19 19 ASP HA H 37 4.671 4.671 5.030 -0.359 18167 14630 1 16 . 1 1 19 19 ASP C C 37 176.089 176.089 176.678 -0.589 18167 14631 1 16 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.890 -1.081 18167 14632 1 16 . 1 1 19 19 ASP CB C 37 42.465 42.465 44.498 -2.033 18167 14633 1 16 . 1 1 19 19 ASP H H 37 8.607 8.607 8.402 0.205 18167 14634 1 16 . 1 1 20 20 THR N N 38 117.032 117.032 114.744 2.288 18167 14635 1 16 . 1 1 20 20 THR HA H 38 4.316 4.316 3.902 0.414 18167 14636 1 16 . 1 1 20 20 THR C C 38 175.794 175.794 175.729 0.065 18167 14637 1 16 . 1 1 20 20 THR CA C 38 63.123 63.123 64.446 -1.323 18167 14638 1 16 . 1 1 20 20 THR CB C 38 68.905 68.905 69.142 -0.238 18167 14639 1 16 . 1 1 20 20 THR H H 38 8.470 8.470 8.489 -0.019 18167 14640 1 16 . 1 1 21 21 LYS N N 39 124.893 124.893 121.085 3.808 18167 14641 1 16 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.060 0.129 18167 14642 1 16 . 1 1 21 21 LYS C C 39 177.678 177.678 177.305 0.373 18167 14643 1 16 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.196 -0.401 18167 14644 1 16 . 1 1 21 21 LYS CB C 39 31.668 31.668 31.878 -0.210 18167 14645 1 16 . 1 1 21 21 LYS H H 39 8.201 8.201 8.208 -0.007 18167 14646 1 16 . 1 1 22 22 ASP N N 40 118.183 118.183 116.276 1.907 18167 14647 1 16 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.542 0.279 18167 14648 1 16 . 1 1 22 22 ASP C C 40 176.752 176.752 177.091 -0.339 18167 14649 1 16 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.521 0.358 18167 14650 1 16 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.953 0.916 18167 14651 1 16 . 1 1 22 22 ASP H H 40 8.480 8.480 8.098 0.382 18167 14652 1 16 . 1 1 23 23 GLY N N 41 108.978 108.978 108.376 0.602 18167 14653 1 16 . 1 1 23 23 GLY C C 41 172.396 172.396 173.358 -0.962 18167 14654 1 16 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.520 1.596 18167 14655 1 16 . 1 1 23 23 GLY H H 41 7.421 7.421 8.356 -0.935 18167 14656 1 16 . 1 1 24 24 TYR N N 42 112.046 112.046 116.334 -4.288 18167 14657 1 16 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.876 -0.482 18167 14658 1 16 . 1 1 24 24 TYR C C 42 173.028 173.028 172.936 0.092 18167 14659 1 16 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.652 1.180 18167 14660 1 16 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.682 0.172 18167 14661 1 16 . 1 1 24 24 TYR H H 42 7.506 7.506 7.725 -0.219 18167 14662 1 16 . 1 1 25 25 GLU N N 43 117.470 117.470 120.125 -2.655 18167 14663 1 16 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.026 0.442 18167 14664 1 16 . 1 1 25 25 GLU C C 43 173.311 173.311 174.349 -1.038 18167 14665 1 16 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.113 -0.882 18167 14666 1 16 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.057 -0.432 18167 14667 1 16 . 1 1 25 25 GLU H H 43 8.934 8.934 8.979 -0.045 18167 14668 1 16 . 1 1 26 26 PHE N N 44 112.795 112.795 115.884 -3.089 18167 14669 1 16 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.152 -0.310 18167 14670 1 16 . 1 1 26 26 PHE C C 44 172.776 172.776 173.058 -0.282 18167 14671 1 16 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.518 0.098 18167 14672 1 16 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.763 -1.314 18167 14673 1 16 . 1 1 26 26 PHE H H 44 8.532 8.532 8.331 0.201 18167 14674 1 16 . 1 1 27 27 LEU N N 45 119.784 119.784 121.805 -2.021 18167 14675 1 16 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.861 0.659 18167 14676 1 16 . 1 1 27 27 LEU C C 45 174.965 174.965 176.631 -1.666 18167 14677 1 16 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.240 -1.466 18167 14678 1 16 . 1 1 27 27 LEU CB C 45 44.650 44.650 42.253 2.397 18167 14679 1 16 . 1 1 27 27 LEU H H 45 9.241 9.241 8.930 0.311 18167 14680 1 16 . 1 1 28 28 TYR N N 46 113.008 113.008 119.276 -6.268 18167 14681 1 16 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.776 0.137 18167 14682 1 16 . 1 1 28 28 TYR C C 46 171.354 171.354 171.883 -0.529 18167 14683 1 16 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.560 0.197 18167 14684 1 16 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.704 -0.557 18167 14685 1 16 . 1 1 28 28 TYR H H 46 8.951 8.951 8.350 0.601 18167 14686 1 16 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.100 -0.093 18167 14687 1 16 . 1 1 29 29 PRO C C 47 176.165 176.165 176.126 0.039 18167 14688 1 16 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.124 1.194 18167 14689 1 16 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.622 -1.282 18167 14690 1 16 . 1 1 30 30 ASN N N 48 119.923 119.923 120.487 -0.564 18167 14691 1 16 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.415 -0.152 18167 14692 1 16 . 1 1 30 30 ASN C C 48 176.347 176.347 176.245 0.102 18167 14693 1 16 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.165 2.036 18167 14694 1 16 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.382 0.206 18167 14695 1 16 . 1 1 30 30 ASN H H 48 8.163 8.163 8.192 -0.029 18167 14696 1 16 . 1 1 31 31 GLY N N 49 111.442 111.442 107.306 4.136 18167 14697 1 16 . 1 1 31 31 GLY C C 49 174.985 174.985 174.624 0.361 18167 14698 1 16 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.182 0.210 18167 14699 1 16 . 1 1 31 31 GLY H H 49 8.702 8.702 8.742 -0.040 18167 14700 1 16 . 1 1 32 32 TRP N N 50 122.100 122.100 120.759 1.341 18167 14701 1 16 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.536 -0.194 18167 14702 1 16 . 1 1 32 32 TRP C C 50 176.370 176.370 177.455 -1.085 18167 14703 1 16 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.261 1.032 18167 14704 1 16 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.352 -0.249 18167 14705 1 16 . 1 1 32 32 TRP H H 50 8.008 8.008 7.726 0.282 18167 14706 1 16 . 1 1 33 33 ILE N N 51 117.163 117.163 119.184 -2.021 18167 14707 1 16 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.855 0.100 18167 14708 1 16 . 1 1 33 33 ILE C C 51 175.549 175.549 174.954 0.595 18167 14709 1 16 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.673 -0.445 18167 14710 1 16 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.576 0.513 18167 14711 1 16 . 1 1 33 33 ILE H H 51 9.249 9.249 8.934 0.315 18167 14712 1 16 . 1 1 34 34 GLY N N 52 111.812 111.812 110.651 1.161 18167 14713 1 16 . 1 1 34 34 GLY C C 52 173.956 173.956 173.854 0.102 18167 14714 1 16 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.147 1.257 18167 14715 1 16 . 1 1 34 34 GLY H H 52 8.787 8.787 8.379 0.408 18167 14716 1 16 . 1 1 35 35 VAL N N 53 122.174 122.174 124.158 -1.984 18167 14717 1 16 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.192 -0.048 18167 14718 1 16 . 1 1 35 35 VAL C C 53 174.921 174.921 175.233 -0.312 18167 14719 1 16 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.901 -0.244 18167 14720 1 16 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.588 -0.548 18167 14721 1 16 . 1 1 35 35 VAL H H 53 7.763 7.763 8.574 -0.811 18167 14722 1 16 . 1 1 36 36 ASP N N 54 125.424 125.424 126.766 -1.342 18167 14723 1 16 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.652 -0.063 18167 14724 1 16 . 1 1 36 36 ASP C C 54 176.890 176.890 175.716 1.174 18167 14725 1 16 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.665 -0.215 18167 14726 1 16 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.349 -0.176 18167 14727 1 16 . 1 1 36 36 ASP H H 54 8.425 8.425 8.561 -0.136 18167 14728 1 16 . 1 1 37 37 VAL N N 55 120.335 120.335 118.334 2.001 18167 14729 1 16 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.295 -0.127 18167 14730 1 16 . 1 1 37 37 VAL C C 55 176.785 176.785 175.456 1.329 18167 14731 1 16 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.009 0.910 18167 14732 1 16 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.350 -0.560 18167 14733 1 16 . 1 1 37 37 VAL H H 55 8.215 8.215 8.276 -0.061 18167 14734 1 16 . 1 1 38 38 LYS N N 56 124.881 124.881 123.240 1.641 18167 14735 1 16 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.332 -0.130 18167 14736 1 16 . 1 1 38 38 LYS C C 56 177.828 177.828 177.993 -0.165 18167 14737 1 16 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.110 0.893 18167 14738 1 16 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.172 -0.535 18167 14739 1 16 . 1 1 38 38 LYS H H 56 8.331 8.331 8.229 0.102 18167 14740 1 16 . 1 1 39 39 GLY N N 57 111.152 111.152 111.435 -0.283 18167 14741 1 16 . 1 1 39 39 GLY C C 57 174.253 174.253 174.098 0.155 18167 14742 1 16 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.761 0.599 18167 14743 1 16 . 1 1 39 39 GLY H H 57 8.651 8.651 8.859 -0.208 18167 14744 1 16 . 1 1 40 40 ALA N N 58 123.085 123.085 122.399 0.686 18167 14745 1 16 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.433 -0.050 18167 14746 1 16 . 1 1 40 40 ALA C C 58 177.125 177.125 177.227 -0.102 18167 14747 1 16 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.261 1.093 18167 14748 1 16 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.683 -0.066 18167 14749 1 16 . 1 1 40 40 ALA H H 58 7.839 7.839 7.545 0.294 18167 14750 1 16 . 1 1 41 41 SER N N 59 115.088 115.088 115.589 -0.501 18167 14751 1 16 . 1 1 41 41 SER HA H 59 4.688 4.688 4.432 0.256 18167 14752 1 16 . 1 1 41 41 SER C C 59 171.885 171.885 173.522 -1.637 18167 14753 1 16 . 1 1 41 41 SER CA C 59 56.951 56.951 57.842 -0.891 18167 14754 1 16 . 1 1 41 41 SER CB C 59 63.123 63.123 62.930 0.193 18167 14755 1 16 . 1 1 41 41 SER H H 59 8.186 8.186 8.267 -0.081 18167 14756 1 16 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.396 -0.047 18167 14757 1 16 . 1 1 42 42 PRO C C 60 177.660 177.660 177.517 0.143 18167 14758 1 16 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.719 0.506 18167 14759 1 16 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.779 -0.238 18167 14760 1 16 . 1 1 43 43 GLY N N 61 111.997 111.997 111.128 0.869 18167 14761 1 16 . 1 1 43 43 GLY C C 61 174.070 174.070 174.014 0.056 18167 14762 1 16 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.962 0.652 18167 14763 1 16 . 1 1 43 43 GLY H H 61 8.730 8.730 8.625 0.105 18167 14764 1 16 . 1 1 44 44 VAL N N 62 120.539 120.539 121.979 -1.440 18167 14765 1 16 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.785 0.492 18167 14766 1 16 . 1 1 44 44 VAL C C 62 175.277 175.277 175.397 -0.120 18167 14767 1 16 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.084 -1.157 18167 14768 1 16 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.763 0.792 18167 14769 1 16 . 1 1 44 44 VAL H H 62 7.573 7.573 7.470 0.103 18167 14770 1 16 . 1 1 45 45 ASP N N 63 128.619 128.619 127.874 0.745 18167 14771 1 16 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.657 0.250 18167 14772 1 16 . 1 1 45 45 ASP C C 63 176.177 176.177 175.588 0.589 18167 14773 1 16 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.273 0.582 18167 14774 1 16 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.334 0.941 18167 14775 1 16 . 1 1 45 45 ASP H H 63 9.084 9.084 8.185 0.899 18167 14776 1 16 . 1 1 46 46 VAL N N 64 115.687 115.687 111.354 4.333 18167 14777 1 16 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.521 -0.211 18167 14778 1 16 . 1 1 46 46 VAL C C 64 172.853 172.853 173.247 -0.394 18167 14779 1 16 . 1 1 46 46 VAL CA C 64 61.171 61.171 59.764 1.407 18167 14780 1 16 . 1 1 46 46 VAL CB C 64 35.908 35.908 34.270 1.637 18167 14781 1 16 . 1 1 46 46 VAL H H 64 7.314 7.314 7.389 -0.075 18167 14782 1 16 . 1 1 47 47 VAL N N 65 124.933 124.933 118.867 6.066 18167 14783 1 16 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.296 0.760 18167 14784 1 16 . 1 1 47 47 VAL C C 65 175.266 175.266 173.994 1.272 18167 14785 1 16 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.082 -0.000 18167 14786 1 16 . 1 1 47 47 VAL CB C 65 36.667 36.667 35.111 1.556 18167 14787 1 16 . 1 1 47 47 VAL H H 65 8.146 8.146 7.587 0.559 18167 14788 1 16 . 1 1 48 48 PHE N N 66 122.916 122.916 125.951 -3.035 18167 14789 1 16 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.273 0.218 18167 14790 1 16 . 1 1 48 48 PHE C C 66 174.371 174.371 174.176 0.195 18167 14791 1 16 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.472 0.057 18167 14792 1 16 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.153 2.006 18167 14793 1 16 . 1 1 48 48 PHE H H 66 8.469 8.469 8.656 -0.187 18167 14794 1 16 . 1 1 49 49 ARG N N 67 116.381 116.381 122.280 -5.899 18167 14795 1 16 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.485 0.020 18167 14796 1 16 . 1 1 49 49 ARG C C 67 173.455 173.455 173.711 -0.256 18167 14797 1 16 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.350 -0.516 18167 14798 1 16 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.535 0.363 18167 14799 1 16 . 1 1 49 49 ARG H H 67 9.271 9.271 8.801 0.470 18167 14800 1 16 . 1 1 50 50 ASP N N 68 121.066 121.066 125.367 -4.301 18167 14801 1 16 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.534 -0.483 18167 14802 1 16 . 1 1 50 50 ASP C C 68 176.670 176.670 176.427 0.243 18167 14803 1 16 . 1 1 50 50 ASP CA C 68 54.616 54.616 52.861 1.755 18167 14804 1 16 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.547 1.353 18167 14805 1 16 . 1 1 50 50 ASP H H 68 7.165 7.165 8.428 -1.263 18167 14806 1 16 . 1 1 51 51 LEU N N 69 124.078 124.078 125.402 -1.324 18167 14807 1 16 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.080 -0.055 18167 14808 1 16 . 1 1 51 51 LEU C C 69 177.463 177.463 178.120 -0.657 18167 14809 1 16 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.255 0.152 18167 14810 1 16 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.116 1.033 18167 14811 1 16 . 1 1 51 51 LEU H H 69 8.314 8.314 8.197 0.117 18167 14812 1 16 . 1 1 52 52 ILE N N 70 118.341 118.341 116.917 1.424 18167 14813 1 16 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.927 0.146 18167 14814 1 16 . 1 1 52 52 ILE C C 70 177.093 177.093 176.410 0.683 18167 14815 1 16 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.766 -1.908 18167 14816 1 16 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.693 -0.073 18167 14817 1 16 . 1 1 52 52 ILE H H 70 8.178 8.178 7.662 0.516 18167 14818 1 16 . 1 1 53 53 GLU N N 71 122.254 122.254 116.640 5.614 18167 14819 1 16 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.535 -0.151 18167 14820 1 16 . 1 1 53 53 GLU C C 71 176.084 176.084 175.238 0.846 18167 14821 1 16 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.187 -0.379 18167 14822 1 16 . 1 1 53 53 GLU CB C 71 28.758 28.758 31.052 -2.294 18167 14823 1 16 . 1 1 53 53 GLU H H 71 8.974 8.974 8.324 0.650 18167 14824 1 16 . 1 1 54 54 ARG N N 72 121.414 121.414 123.176 -1.762 18167 14825 1 16 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.196 -0.214 18167 14826 1 16 . 1 1 54 54 ARG C C 72 176.478 176.478 176.476 0.002 18167 14827 1 16 . 1 1 54 54 ARG CA C 72 58.240 58.240 57.932 0.308 18167 14828 1 16 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.684 -0.720 18167 14829 1 16 . 1 1 54 54 ARG H H 72 8.052 8.052 8.450 -0.398 18167 14830 1 16 . 1 1 55 55 ASP N N 73 117.425 117.425 119.420 -1.995 18167 14831 1 16 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.550 -0.099 18167 14832 1 16 . 1 1 55 55 ASP C C 73 173.783 173.783 176.176 -2.393 18167 14833 1 16 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.208 -1.134 18167 14834 1 16 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.487 0.255 18167 14835 1 16 . 1 1 55 55 ASP H H 73 8.455 8.455 8.351 0.104 18167 14836 1 16 . 1 1 56 56 GLU N N 74 124.050 124.050 119.627 4.423 18167 14837 1 16 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.625 0.874 18167 14838 1 16 . 1 1 56 56 GLU C C 74 174.110 174.110 175.072 -0.962 18167 14839 1 16 . 1 1 56 56 GLU CA C 74 56.478 56.478 55.848 0.630 18167 14840 1 16 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.323 2.123 18167 14841 1 16 . 1 1 56 56 GLU H H 74 7.773 7.773 8.140 -0.367 18167 14842 1 16 . 1 1 57 57 ASN N N 75 119.794 119.794 123.663 -3.869 18167 14843 1 16 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.900 -0.137 18167 14844 1 16 . 1 1 57 57 ASN C C 75 171.893 171.893 173.145 -1.252 18167 14845 1 16 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.407 0.556 18167 14846 1 16 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.052 0.317 18167 14847 1 16 . 1 1 57 57 ASN H H 75 8.891 8.891 8.463 0.428 18167 14848 1 16 . 1 1 58 58 LEU N N 76 116.438 116.438 121.968 -5.530 18167 14849 1 16 . 1 1 58 58 LEU HA H 76 5.341 5.341 4.953 0.388 18167 14850 1 16 . 1 1 58 58 LEU C C 76 174.630 174.630 174.839 -0.209 18167 14851 1 16 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.297 -0.469 18167 14852 1 16 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.550 0.329 18167 14853 1 16 . 1 1 58 58 LEU H H 76 9.166 9.166 8.184 0.982 18167 14854 1 16 . 1 1 59 59 SER N N 77 114.543 114.543 119.778 -5.235 18167 14855 1 16 . 1 1 59 59 SER HA H 77 5.432 5.432 4.817 0.615 18167 14856 1 16 . 1 1 59 59 SER C C 77 172.602 172.602 172.183 0.419 18167 14857 1 16 . 1 1 59 59 SER CA C 77 56.593 56.593 57.227 -0.634 18167 14858 1 16 . 1 1 59 59 SER CB C 77 66.720 66.720 65.473 1.247 18167 14859 1 16 . 1 1 59 59 SER H H 77 8.352 8.352 8.432 -0.080 18167 14860 1 16 . 1 1 60 60 VAL N N 78 122.017 122.017 125.016 -2.999 18167 14861 1 16 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.307 0.662 18167 14862 1 16 . 1 1 60 60 VAL C C 78 174.861 174.861 174.257 0.604 18167 14863 1 16 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.012 0.172 18167 14864 1 16 . 1 1 60 60 VAL CB C 78 33.312 33.312 34.640 -1.328 18167 14865 1 16 . 1 1 60 60 VAL H H 78 8.306 8.306 8.091 0.215 18167 14866 1 16 . 1 1 61 61 ILE N N 79 128.458 128.458 127.105 1.353 18167 14867 1 16 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.537 0.184 18167 14868 1 16 . 1 1 61 61 ILE C C 79 175.639 175.639 174.255 1.384 18167 14869 1 16 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.438 -0.194 18167 14870 1 16 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.418 0.868 18167 14871 1 16 . 1 1 61 61 ILE H H 79 9.193 9.193 7.957 1.236 18167 14872 1 16 . 1 1 62 62 ILE N N 80 129.957 129.957 127.578 2.379 18167 14873 1 16 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.059 -0.017 18167 14874 1 16 . 1 1 62 62 ILE C C 80 175.727 175.727 175.130 0.597 18167 14875 1 16 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.089 2.070 18167 14876 1 16 . 1 1 62 62 ILE CB C 80 39.777 39.777 38.830 0.947 18167 14877 1 16 . 1 1 62 62 ILE H H 80 9.140 9.140 8.487 0.653 18167 14878 1 16 . 1 1 63 63 SER N N 81 122.084 122.084 120.554 1.530 18167 14879 1 16 . 1 1 63 63 SER HA H 81 4.878 4.878 4.786 0.092 18167 14880 1 16 . 1 1 63 63 SER C C 81 172.933 172.933 172.121 0.812 18167 14881 1 16 . 1 1 63 63 SER CA C 81 56.689 56.689 57.083 -0.394 18167 14882 1 16 . 1 1 63 63 SER CB C 81 65.862 65.862 66.740 -0.878 18167 14883 1 16 . 1 1 63 63 SER H H 81 9.079 9.079 8.853 0.226 18167 14884 1 16 . 1 1 64 64 GLU N N 82 121.983 121.983 120.593 1.390 18167 14885 1 16 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.772 -0.180 18167 14886 1 16 . 1 1 64 64 GLU C C 82 176.501 176.501 176.140 0.361 18167 14887 1 16 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.055 1.786 18167 14888 1 16 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.535 -1.025 18167 14889 1 16 . 1 1 64 64 GLU H H 82 8.664 8.664 8.428 0.235 18167 14890 1 16 . 1 1 65 65 ILE N N 83 121.194 121.194 119.532 1.662 18167 14891 1 16 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.590 -0.013 18167 14892 1 16 . 1 1 65 65 ILE C C 83 173.233 173.233 174.366 -1.133 18167 14893 1 16 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.524 0.274 18167 14894 1 16 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.471 2.017 18167 14895 1 16 . 1 1 65 65 ILE H H 83 8.271 8.271 8.041 0.230 18167 14896 1 16 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.465 -0.014 18167 14897 1 16 . 1 1 66 66 PRO C C 84 177.697 177.697 176.472 1.225 18167 14898 1 16 . 1 1 66 66 PRO CA C 84 63.197 63.197 63.300 -0.103 18167 14899 1 16 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.574 -0.509 18167 14900 1 16 . 1 1 67 67 SER N N 85 116.018 116.018 115.983 0.035 18167 14901 1 16 . 1 1 67 67 SER HA H 85 4.149 4.149 4.241 -0.092 18167 14902 1 16 . 1 1 67 67 SER C C 85 174.387 174.387 175.058 -0.671 18167 14903 1 16 . 1 1 67 67 SER CA C 85 60.348 60.348 60.125 0.223 18167 14904 1 16 . 1 1 67 67 SER CB C 85 63.402 63.402 63.437 -0.035 18167 14905 1 16 . 1 1 67 67 SER H H 85 8.465 8.465 8.421 0.044 18167 14906 1 16 . 1 1 68 68 ASP N N 86 118.568 118.568 119.246 -0.678 18167 14907 1 16 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.714 -0.156 18167 14908 1 16 . 1 1 68 68 ASP C C 86 175.732 175.732 175.495 0.237 18167 14909 1 16 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.300 -0.490 18167 14910 1 16 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.408 -1.190 18167 14911 1 16 . 1 1 68 68 ASP H H 86 8.531 8.531 8.161 0.370 18167 14912 1 16 . 1 1 69 69 LYS N N 87 119.225 119.225 117.953 1.272 18167 14913 1 16 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.570 0.112 18167 14914 1 16 . 1 1 69 69 LYS C C 87 175.814 175.814 175.202 0.612 18167 14915 1 16 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.121 -0.260 18167 14916 1 16 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.624 -1.918 18167 14917 1 16 . 1 1 69 69 LYS H H 87 7.653 7.653 7.525 0.128 18167 14918 1 16 . 1 1 70 70 THR N N 88 113.175 113.175 113.650 -0.475 18167 14919 1 16 . 1 1 70 70 THR HA H 88 4.529 4.529 4.574 -0.045 18167 14920 1 16 . 1 1 70 70 THR C C 88 175.278 175.278 175.494 -0.216 18167 14921 1 16 . 1 1 70 70 THR CA C 88 60.699 60.699 59.792 0.907 18167 14922 1 16 . 1 1 70 70 THR CB C 88 70.710 70.710 71.356 -0.646 18167 14923 1 16 . 1 1 70 70 THR H H 88 8.608 8.608 8.225 0.383 18167 14924 1 16 . 1 1 71 71 LEU N N 89 121.978 121.978 122.861 -0.883 18167 14925 1 16 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.956 -0.019 18167 14926 1 16 . 1 1 71 71 LEU C C 89 177.698 177.698 177.680 0.018 18167 14927 1 16 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.669 -0.905 18167 14928 1 16 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.769 0.726 18167 14929 1 16 . 1 1 71 71 LEU H H 89 7.998 7.998 8.848 -0.850 18167 14930 1 16 . 1 1 72 72 THR N N 90 106.680 106.680 110.341 -3.661 18167 14931 1 16 . 1 1 72 72 THR HA H 90 4.221 4.221 4.088 0.133 18167 14932 1 16 . 1 1 72 72 THR C C 90 176.248 176.248 175.966 0.282 18167 14933 1 16 . 1 1 72 72 THR CA C 90 63.648 63.648 65.027 -1.379 18167 14934 1 16 . 1 1 72 72 THR CB C 90 68.620 68.620 68.487 0.133 18167 14935 1 16 . 1 1 72 72 THR H H 90 7.798 7.798 7.842 -0.044 18167 14936 1 16 . 1 1 73 73 ASP N N 91 120.626 120.626 119.848 0.778 18167 14937 1 16 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.529 0.081 18167 14938 1 16 . 1 1 73 73 ASP C C 91 177.133 177.133 177.880 -0.747 18167 14939 1 16 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.656 -0.055 18167 14940 1 16 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.737 0.936 18167 14941 1 16 . 1 1 73 73 ASP H H 91 7.805 7.805 8.116 -0.311 18167 14942 1 16 . 1 1 74 74 LEU N N 92 120.238 120.238 119.639 0.599 18167 14943 1 16 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.060 0.161 18167 14944 1 16 . 1 1 74 74 LEU C C 92 176.907 176.907 176.429 0.478 18167 14945 1 16 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.580 -0.937 18167 14946 1 16 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.840 -1.516 18167 14947 1 16 . 1 1 74 74 LEU H H 92 8.182 8.182 8.227 -0.045 18167 14948 1 16 . 1 1 75 75 GLY N N 93 105.772 105.772 100.452 5.320 18167 14949 1 16 . 1 1 75 75 GLY C C 93 173.853 173.853 172.311 1.542 18167 14950 1 16 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.904 -0.876 18167 14951 1 16 . 1 1 75 75 GLY H H 93 7.713 7.713 7.397 0.316 18167 14952 1 16 . 1 1 76 76 THR N N 94 111.354 111.354 110.127 1.227 18167 14953 1 16 . 1 1 76 76 THR HA H 94 4.426 4.426 4.740 -0.314 18167 14954 1 16 . 1 1 76 76 THR C C 94 174.396 174.396 175.975 -1.579 18167 14955 1 16 . 1 1 76 76 THR CA C 94 61.220 61.220 60.668 0.552 18167 14956 1 16 . 1 1 76 76 THR CB C 94 71.400 71.400 71.796 -0.396 18167 14957 1 16 . 1 1 76 76 THR H H 94 8.842 8.842 8.247 0.595 18167 14958 1 16 . 1 1 77 77 ALA N N 95 122.586 122.586 123.707 -1.121 18167 14959 1 16 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.942 -0.616 18167 14960 1 16 . 1 1 77 77 ALA C C 95 179.120 179.120 179.178 -0.058 18167 14961 1 16 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.498 0.126 18167 14962 1 16 . 1 1 77 77 ALA CB C 95 16.979 16.979 18.052 -1.073 18167 14963 1 16 . 1 1 77 77 ALA H H 95 8.861 8.861 8.846 0.015 18167 14964 1 16 . 1 1 78 78 THR N N 96 110.298 110.298 114.605 -4.307 18167 14965 1 16 . 1 1 78 78 THR HA H 96 3.479 3.479 3.977 -0.498 18167 14966 1 16 . 1 1 78 78 THR C C 96 175.297 175.297 176.578 -1.281 18167 14967 1 16 . 1 1 78 78 THR CA C 96 66.314 66.314 66.312 0.002 18167 14968 1 16 . 1 1 78 78 THR CB C 96 68.335 68.335 68.468 -0.133 18167 14969 1 16 . 1 1 78 78 THR H H 96 7.757 7.757 7.766 -0.009 18167 14970 1 16 . 1 1 79 79 ASP N N 97 122.829 122.829 122.596 0.233 18167 14971 1 16 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.614 -0.202 18167 14972 1 16 . 1 1 79 79 ASP C C 97 179.693 179.693 178.737 0.956 18167 14973 1 16 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.340 0.654 18167 14974 1 16 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.752 -0.222 18167 14975 1 16 . 1 1 79 79 ASP H H 97 7.448 7.448 8.060 -0.612 18167 14976 1 16 . 1 1 80 80 VAL N N 98 121.175 121.175 119.544 1.631 18167 14977 1 16 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.800 -0.318 18167 14978 1 16 . 1 1 80 80 VAL C C 98 178.667 178.667 178.381 0.286 18167 14979 1 16 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.508 0.049 18167 14980 1 16 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.546 -0.038 18167 14981 1 16 . 1 1 80 80 VAL H H 98 8.390 8.390 8.729 -0.339 18167 14982 1 16 . 1 1 81 81 GLY N N 99 108.920 108.920 108.036 0.884 18167 14983 1 16 . 1 1 81 81 GLY C C 99 175.133 175.133 176.171 -1.038 18167 14984 1 16 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.430 1.620 18167 14985 1 16 . 1 1 81 81 GLY H H 99 8.630 8.630 7.870 0.760 18167 14986 1 16 . 1 1 82 82 TYR N N 100 121.598 121.598 122.019 -0.421 18167 14987 1 16 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.303 0.025 18167 14988 1 16 . 1 1 82 82 TYR C C 100 179.383 179.383 178.390 0.993 18167 14989 1 16 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.383 0.356 18167 14990 1 16 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.157 -1.058 18167 14991 1 16 . 1 1 82 82 TYR H H 100 8.880 8.880 7.837 1.043 18167 14992 1 16 . 1 1 83 83 ARG N N 101 121.436 121.436 119.470 1.966 18167 14993 1 16 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.979 0.108 18167 14994 1 16 . 1 1 83 83 ARG C C 101 178.906 178.906 178.732 0.174 18167 14995 1 16 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.804 -0.257 18167 14996 1 16 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.030 -0.407 18167 14997 1 16 . 1 1 83 83 ARG H H 101 8.102 8.102 8.158 -0.056 18167 14998 1 16 . 1 1 84 84 PHE N N 102 121.581 121.581 121.861 -0.280 18167 14999 1 16 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.231 0.157 18167 15000 1 16 . 1 1 84 84 PHE C C 102 177.731 177.731 176.869 0.862 18167 15001 1 16 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.242 -1.236 18167 15002 1 16 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.051 -0.810 18167 15003 1 16 . 1 1 84 84 PHE H H 102 8.511 8.511 8.409 0.102 18167 15004 1 16 . 1 1 85 85 MET N N 103 117.909 117.909 118.233 -0.324 18167 15005 1 16 . 1 1 85 85 MET HA H 103 3.850 3.850 3.820 0.030 18167 15006 1 16 . 1 1 85 85 MET C C 103 178.063 178.063 178.285 -0.222 18167 15007 1 16 . 1 1 85 85 MET CA C 103 57.352 57.352 57.569 -0.217 18167 15008 1 16 . 1 1 85 85 MET CB C 103 33.654 33.654 31.091 2.563 18167 15009 1 16 . 1 1 85 85 MET H H 103 8.350 8.350 7.704 0.646 18167 15010 1 16 . 1 1 86 86 LYS N N 104 118.874 118.874 120.232 -1.358 18167 15011 1 16 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.995 0.009 18167 15012 1 16 . 1 1 86 86 LYS C C 104 177.910 177.910 179.093 -1.183 18167 15013 1 16 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.488 -0.040 18167 15014 1 16 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.057 -0.372 18167 15015 1 16 . 1 1 86 86 LYS H H 104 7.578 7.578 7.801 -0.223 18167 15016 1 16 . 1 1 87 87 THR N N 105 114.567 114.567 116.218 -1.651 18167 15017 1 16 . 1 1 87 87 THR HA H 105 3.949 3.949 3.950 -0.001 18167 15018 1 16 . 1 1 87 87 THR C C 105 176.912 176.912 176.529 0.383 18167 15019 1 16 . 1 1 87 87 THR CA C 105 66.108 66.108 66.726 -0.618 18167 15020 1 16 . 1 1 87 87 THR CB C 105 68.909 68.909 68.513 0.396 18167 15021 1 16 . 1 1 87 87 THR H H 105 7.667 7.667 7.728 -0.061 18167 15022 1 16 . 1 1 88 88 VAL N N 106 122.160 122.160 120.324 1.836 18167 15023 1 16 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.435 0.056 18167 15024 1 16 . 1 1 88 88 VAL C C 106 178.950 178.950 178.203 0.747 18167 15025 1 16 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.680 0.144 18167 15026 1 16 . 1 1 88 88 VAL CB C 106 31.509 31.509 30.766 0.743 18167 15027 1 16 . 1 1 88 88 VAL H H 106 7.600 7.600 8.142 -0.542 18167 15028 1 16 . 1 1 89 89 ASN N N 107 120.741 120.741 118.949 1.792 18167 15029 1 16 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.345 0.145 18167 15030 1 16 . 1 1 89 89 ASN C C 107 178.483 178.483 176.964 1.519 18167 15031 1 16 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.753 0.189 18167 15032 1 16 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.629 0.261 18167 15033 1 16 . 1 1 89 89 ASN H H 107 8.501 8.501 8.450 0.051 18167 15034 1 16 . 1 1 90 90 ASP N N 108 121.211 121.211 120.012 1.199 18167 15035 1 16 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.322 0.158 18167 15036 1 16 . 1 1 90 90 ASP C C 108 177.598 177.598 177.002 0.596 18167 15037 1 16 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.904 -0.537 18167 15038 1 16 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.584 -0.342 18167 15039 1 16 . 1 1 90 90 ASP H H 108 8.824 8.824 8.258 0.566 18167 15040 1 16 . 1 1 91 91 ALA N N 109 121.181 121.181 120.480 0.701 18167 15041 1 16 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.131 0.261 18167 15042 1 16 . 1 1 91 91 ALA C C 109 177.936 177.936 178.042 -0.106 18167 15043 1 16 . 1 1 91 91 ALA CA C 109 52.692 52.692 54.075 -1.383 18167 15044 1 16 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.157 -0.268 18167 15045 1 16 . 1 1 91 91 ALA H H 109 7.507 7.507 7.443 0.064 18167 15046 1 16 . 1 1 92 92 SER N N 110 113.785 113.785 112.710 1.075 18167 15047 1 16 . 1 1 92 92 SER HA H 110 4.537 4.537 4.669 -0.132 18167 15048 1 16 . 1 1 92 92 SER C C 110 174.252 174.252 175.229 -0.977 18167 15049 1 16 . 1 1 92 92 SER CA C 110 58.565 58.565 57.932 0.633 18167 15050 1 16 . 1 1 92 92 SER CB C 110 64.795 64.795 63.615 1.180 18167 15051 1 16 . 1 1 92 92 SER H H 110 7.611 7.611 7.598 0.013 18167 15052 1 16 . 1 1 93 93 GLN N N 111 119.994 119.994 121.610 -1.616 18167 15053 1 16 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.182 0.241 18167 15054 1 16 . 1 1 93 93 GLN C C 111 176.441 176.441 177.414 -0.973 18167 15055 1 16 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.030 -2.238 18167 15056 1 16 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.198 0.645 18167 15057 1 16 . 1 1 93 93 GLN H H 111 8.414 8.414 8.323 0.091 18167 15058 1 16 . 1 1 94 94 GLY N N 112 107.948 107.948 109.097 -1.149 18167 15059 1 16 . 1 1 94 94 GLY C C 112 174.406 174.406 174.826 -0.420 18167 15060 1 16 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.599 -0.657 18167 15061 1 16 . 1 1 94 94 GLY H H 112 8.467 8.467 8.454 0.013 18167 15062 1 16 . 1 1 95 95 ASP N N 113 119.500 119.500 119.223 0.277 18167 15063 1 16 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.615 -0.059 18167 15064 1 16 . 1 1 95 95 ASP C C 113 175.438 175.438 175.897 -0.459 18167 15065 1 16 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.520 0.160 18167 15066 1 16 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.662 -1.468 18167 15067 1 16 . 1 1 95 95 ASP H H 113 8.423 8.423 7.871 0.552 18167 15068 1 16 . 1 1 96 96 ARG N N 114 118.992 118.992 121.718 -2.726 18167 15069 1 16 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.546 0.515 18167 15070 1 16 . 1 1 96 96 ARG C C 114 175.699 175.699 174.277 1.422 18167 15071 1 16 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.032 -0.989 18167 15072 1 16 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.272 1.368 18167 15073 1 16 . 1 1 96 96 ARG H H 114 7.507 7.507 7.635 -0.128 18167 15074 1 16 . 1 1 97 97 GLN N N 115 121.149 121.149 124.193 -3.044 18167 15075 1 16 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.663 0.006 18167 15076 1 16 . 1 1 97 97 GLN C C 115 173.696 173.696 173.853 -0.157 18167 15077 1 16 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.277 0.280 18167 15078 1 16 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.534 -1.461 18167 15079 1 16 . 1 1 97 97 GLN H H 115 8.814 8.814 8.290 0.524 18167 15080 1 16 . 1 1 98 98 ALA N N 116 129.789 129.789 125.955 3.834 18167 15081 1 16 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.164 0.152 18167 15082 1 16 . 1 1 98 98 ALA C C 116 176.503 176.503 176.539 -0.036 18167 15083 1 16 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.332 0.482 18167 15084 1 16 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.587 0.455 18167 15085 1 16 . 1 1 98 98 ALA H H 116 9.836 9.836 8.528 1.308 18167 15086 1 16 . 1 1 99 99 GLU N N 117 122.780 122.780 123.017 -0.237 18167 15087 1 16 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.669 -0.066 18167 15088 1 16 . 1 1 99 99 GLU C C 117 174.361 174.361 174.921 -0.560 18167 15089 1 16 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.297 0.023 18167 15090 1 16 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.958 0.354 18167 15091 1 16 . 1 1 99 99 GLU H H 117 9.252 9.252 8.513 0.739 18167 15092 1 16 . 1 1 100 100 LEU N N 118 127.043 127.043 128.327 -1.284 18167 15093 1 16 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.431 -0.124 18167 15094 1 16 . 1 1 100 100 LEU C C 118 176.338 176.338 176.810 -0.472 18167 15095 1 16 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.767 0.755 18167 15096 1 16 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.806 0.835 18167 15097 1 16 . 1 1 100 100 LEU H H 118 8.765 8.765 8.874 -0.109 18167 15098 1 16 . 1 1 101 101 ILE N N 119 128.101 128.101 127.256 0.845 18167 15099 1 16 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.917 0.179 18167 15100 1 16 . 1 1 101 101 ILE C C 119 175.634 175.634 176.503 -0.869 18167 15101 1 16 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.426 -1.023 18167 15102 1 16 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.583 0.475 18167 15103 1 16 . 1 1 101 101 ILE H H 119 9.244 9.244 8.518 0.727 18167 15104 1 16 . 1 1 102 102 ASN N N 120 114.715 114.715 113.933 0.782 18167 15105 1 16 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.758 0.197 18167 15106 1 16 . 1 1 102 102 ASN C C 120 172.326 172.326 172.794 -0.468 18167 15107 1 16 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.961 0.412 18167 15108 1 16 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.139 1.748 18167 15109 1 16 . 1 1 102 102 ASN H H 120 7.989 7.989 7.861 0.128 18167 15110 1 16 . 1 1 103 103 ALA N N 121 125.011 125.011 121.874 3.137 18167 15111 1 16 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.213 0.244 18167 15112 1 16 . 1 1 103 103 ALA C C 121 175.068 175.068 175.187 -0.119 18167 15113 1 16 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.258 0.101 18167 15114 1 16 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.873 0.536 18167 15115 1 16 . 1 1 103 103 ALA H H 121 8.182 8.182 8.343 -0.161 18167 15116 1 16 . 1 1 104 104 GLU N N 122 121.148 121.148 119.682 1.466 18167 15117 1 16 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.602 0.093 18167 15118 1 16 . 1 1 104 104 GLU C C 122 173.666 173.666 173.945 -0.279 18167 15119 1 16 . 1 1 104 104 GLU CA C 122 55.093 55.093 55.074 0.019 18167 15120 1 16 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.321 0.189 18167 15121 1 16 . 1 1 104 104 GLU H H 122 8.817 8.817 8.773 0.044 18167 15122 1 16 . 1 1 105 105 ALA N N 123 124.441 124.441 123.409 1.032 18167 15123 1 16 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.484 0.043 18167 15124 1 16 . 1 1 105 105 ALA C C 123 176.479 176.479 176.608 -0.129 18167 15125 1 16 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.755 0.376 18167 15126 1 16 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.838 1.013 18167 15127 1 16 . 1 1 105 105 ALA H H 123 8.860 8.860 8.401 0.459 18167 15128 1 16 . 1 1 106 106 ARG N N 124 120.892 120.892 120.668 0.224 18167 15129 1 16 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.706 0.117 18167 15130 1 16 . 1 1 106 106 ARG C C 124 172.820 172.820 174.503 -1.683 18167 15131 1 16 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.209 -0.437 18167 15132 1 16 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.847 -0.577 18167 15133 1 16 . 1 1 106 106 ARG H H 124 9.209 9.209 8.971 0.238 18167 15134 1 16 . 1 1 107 107 ASP N N 125 122.706 122.706 124.222 -1.516 18167 15135 1 16 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.646 -0.407 18167 15136 1 16 . 1 1 107 107 ASP C C 125 176.097 176.097 175.702 0.395 18167 15137 1 16 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.028 -0.084 18167 15138 1 16 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.893 1.245 18167 15139 1 16 . 1 1 107 107 ASP H H 125 8.633 8.633 8.709 -0.076 18167 15140 1 16 . 1 1 108 108 GLU N N 126 126.120 126.120 125.488 0.632 18167 15141 1 16 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.667 0.038 18167 15142 1 16 . 1 1 108 108 GLU C C 126 175.768 175.768 176.164 -0.396 18167 15143 1 16 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.433 -0.416 18167 15144 1 16 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.627 -3.203 18167 15145 1 16 . 1 1 108 108 GLU H H 126 9.152 9.152 9.316 -0.164 18167 15146 1 16 . 1 1 109 109 ASP N N 127 126.277 126.277 123.673 2.604 18167 15147 1 16 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.387 -0.033 18167 15148 1 16 . 1 1 109 109 ASP C C 127 175.414 175.414 176.512 -1.098 18167 15149 1 16 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.994 0.396 18167 15150 1 16 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.060 0.182 18167 15151 1 16 . 1 1 109 109 ASP H H 127 9.067 9.067 9.211 -0.144 18167 15152 1 16 . 1 1 110 110 GLY N N 128 106.859 106.859 103.644 3.215 18167 15153 1 16 . 1 1 110 110 GLY C C 128 173.761 173.761 174.340 -0.579 18167 15154 1 16 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.227 0.015 18167 15155 1 16 . 1 1 110 110 GLY H H 128 9.008 9.008 8.732 0.276 18167 15156 1 16 . 1 1 111 111 GLN N N 129 123.033 123.033 119.800 3.233 18167 15157 1 16 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.603 -0.220 18167 15158 1 16 . 1 1 111 111 GLN C C 129 173.901 173.901 174.308 -0.407 18167 15159 1 16 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.224 -0.288 18167 15160 1 16 . 1 1 111 111 GLN CB C 129 29.183 29.183 31.046 -1.863 18167 15161 1 16 . 1 1 111 111 GLN H H 129 7.825 7.825 8.339 -0.514 18167 15162 1 16 . 1 1 112 112 VAL N N 130 128.263 128.263 121.506 6.757 18167 15163 1 16 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.842 0.030 18167 15164 1 16 . 1 1 112 112 VAL C C 130 175.591 175.591 174.908 0.683 18167 15165 1 16 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.076 1.027 18167 15166 1 16 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.962 -0.589 18167 15167 1 16 . 1 1 112 112 VAL H H 130 8.330 8.330 8.265 0.065 18167 15168 1 16 . 1 1 113 113 TYR N N 131 126.702 126.702 124.959 1.743 18167 15169 1 16 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.868 0.182 18167 15170 1 16 . 1 1 113 113 TYR C C 131 175.477 175.477 174.928 0.549 18167 15171 1 16 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.222 0.201 18167 15172 1 16 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.581 0.908 18167 15173 1 16 . 1 1 113 113 TYR H H 131 9.136 9.136 9.388 -0.252 18167 15174 1 16 . 1 1 114 114 TYR N N 132 121.626 121.626 124.122 -2.496 18167 15175 1 16 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.152 0.678 18167 15176 1 16 . 1 1 114 114 TYR C C 132 175.368 175.368 175.667 -0.299 18167 15177 1 16 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.843 -1.775 18167 15178 1 16 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.932 -0.615 18167 15179 1 16 . 1 1 114 114 TYR H H 132 9.577 9.577 9.551 0.026 18167 15180 1 16 . 1 1 115 115 THR N N 133 120.018 120.018 121.946 -1.928 18167 15181 1 16 . 1 1 115 115 THR HA H 133 5.486 5.486 4.600 0.886 18167 15182 1 16 . 1 1 115 115 THR C C 133 174.327 174.327 172.991 1.336 18167 15183 1 16 . 1 1 115 115 THR CA C 133 61.648 61.648 62.282 -0.634 18167 15184 1 16 . 1 1 115 115 THR CB C 133 69.622 69.622 69.921 -0.299 18167 15185 1 16 . 1 1 115 115 THR H H 133 9.351 9.351 9.371 -0.020 18167 15186 1 16 . 1 1 116 116 LEU N N 134 127.249 127.249 128.394 -1.145 18167 15187 1 16 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.743 0.552 18167 15188 1 16 . 1 1 116 116 LEU C C 134 174.347 174.347 174.466 -0.119 18167 15189 1 16 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.299 -1.671 18167 15190 1 16 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.958 -0.423 18167 15191 1 16 . 1 1 116 116 LEU H H 134 10.010 10.010 9.470 0.540 18167 15192 1 16 . 1 1 117 117 GLU N N 135 124.969 124.969 125.281 -0.312 18167 15193 1 16 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.781 0.797 18167 15194 1 16 . 1 1 117 117 GLU C C 135 175.635 175.635 174.746 0.889 18167 15195 1 16 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.911 -0.772 18167 15196 1 16 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.724 -0.561 18167 15197 1 16 . 1 1 117 117 GLU H H 135 9.109 9.109 8.831 0.278 18167 15198 1 16 . 1 1 118 118 TYR N N 136 125.868 125.868 122.828 3.040 18167 15199 1 16 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.580 -0.305 18167 15200 1 16 . 1 1 118 118 TYR C C 136 170.317 170.317 172.660 -2.343 18167 15201 1 16 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.155 -0.144 18167 15202 1 16 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.112 0.404 18167 15203 1 16 . 1 1 118 118 TYR H H 136 8.973 8.973 8.653 0.320 18167 15204 1 16 . 1 1 119 119 ARG N N 137 115.256 115.256 117.485 -2.229 18167 15205 1 16 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.437 0.640 18167 15206 1 16 . 1 1 119 119 ARG C C 137 173.643 173.643 174.251 -0.608 18167 15207 1 16 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.534 -1.411 18167 15208 1 16 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.461 -1.276 18167 15209 1 16 . 1 1 119 119 ARG H H 137 8.920 8.920 8.711 0.209 18167 15210 1 16 . 1 1 120 120 VAL N N 138 119.767 119.767 117.593 2.174 18167 15211 1 16 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.056 -0.270 18167 15212 1 16 . 1 1 120 120 VAL C C 138 174.355 174.355 174.191 0.164 18167 15213 1 16 . 1 1 120 120 VAL CA C 138 61.783 61.783 59.802 1.981 18167 15214 1 16 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.464 0.698 18167 15215 1 16 . 1 1 120 120 VAL H H 138 8.430 8.430 8.329 0.101 18167 15216 1 16 . 1 1 121 121 LEU N N 139 129.915 129.915 123.107 6.808 18167 15217 1 16 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.033 0.052 18167 15218 1 16 . 1 1 121 121 LEU C C 139 176.376 176.376 174.662 1.714 18167 15219 1 16 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.045 0.614 18167 15220 1 16 . 1 1 121 121 LEU CB C 139 44.122 44.122 44.884 -0.762 18167 15221 1 16 . 1 1 121 121 LEU H H 139 9.333 9.333 8.517 0.816 18167 15222 1 16 . 1 1 122 122 VAL N N 140 120.956 120.956 121.971 -1.015 18167 15223 1 16 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.522 -0.147 18167 15224 1 16 . 1 1 122 122 VAL C C 140 177.264 177.264 177.271 -0.007 18167 15225 1 16 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.361 1.107 18167 15226 1 16 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.100 -0.226 18167 15227 1 16 . 1 1 122 122 VAL H H 140 8.655 8.655 7.869 0.786 18167 15228 1 16 . 1 1 123 123 GLY N N 141 119.059 119.059 118.307 0.752 18167 15229 1 16 . 1 1 123 123 GLY C C 141 174.482 174.482 174.292 0.190 18167 15230 1 16 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.545 0.623 18167 15231 1 16 . 1 1 123 123 GLY H H 141 8.940 8.940 8.485 0.455 18167 15232 1 16 . 1 1 124 124 ASP N N 142 124.652 124.652 125.246 -0.594 18167 15233 1 16 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.770 -0.136 18167 15234 1 16 . 1 1 124 124 ASP C C 142 175.588 175.588 175.166 0.422 18167 15235 1 16 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.661 0.729 18167 15236 1 16 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.951 0.313 18167 15237 1 16 . 1 1 124 124 ASP H H 142 8.722 8.722 8.493 0.229 18167 15238 1 16 . 1 1 125 125 ASN N N 143 118.203 118.203 117.997 0.206 18167 15239 1 16 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.929 -0.002 18167 15240 1 16 . 1 1 125 125 ASN C C 143 174.095 174.095 173.233 0.862 18167 15241 1 16 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.604 -0.198 18167 15242 1 16 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.883 -0.820 18167 15243 1 16 . 1 1 125 125 ASN H H 143 8.023 8.023 7.849 0.174 18167 15244 1 16 . 1 1 126 126 VAL N N 144 123.424 123.424 119.888 3.536 18167 15245 1 16 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.937 0.143 18167 15246 1 16 . 1 1 126 126 VAL C C 144 175.767 175.767 175.281 0.486 18167 15247 1 16 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.543 0.766 18167 15248 1 16 . 1 1 126 126 VAL H H 144 8.857 8.857 8.405 0.452 18167 15249 1 16 . 1 1 127 127 GLU N N 145 130.709 130.709 128.925 1.784 18167 15250 1 16 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.170 0.235 18167 15251 1 16 . 1 1 127 127 GLU C C 145 176.522 176.522 176.236 0.286 18167 15252 1 16 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.043 -0.079 18167 15253 1 16 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.260 1.095 18167 15254 1 16 . 1 1 127 127 GLU H H 145 9.487 9.487 8.760 0.727 18167 15255 1 16 . 1 1 128 128 ARG N N 146 113.222 113.222 112.789 0.433 18167 15256 1 16 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.377 0.684 18167 15257 1 16 . 1 1 128 128 ARG C C 146 172.055 172.055 173.521 -1.466 18167 15258 1 16 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.172 -0.791 18167 15259 1 16 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.461 1.530 18167 15260 1 16 . 1 1 128 128 ARG H H 146 7.657 7.657 7.479 0.178 18167 15261 1 16 . 1 1 129 129 HIS N N 147 125.158 125.158 117.150 8.008 18167 15262 1 16 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.421 0.211 18167 15263 1 16 . 1 1 129 129 HIS C C 147 172.407 172.407 173.109 -0.702 18167 15264 1 16 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.705 -1.509 18167 15265 1 16 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.089 0.847 18167 15266 1 16 . 1 1 129 129 HIS H H 147 9.295 9.295 8.443 0.852 18167 15267 1 16 . 1 1 130 130 ASP N N 148 122.383 122.383 120.780 1.603 18167 15268 1 16 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.831 1.296 18167 15269 1 16 . 1 1 130 130 ASP C C 148 174.350 174.350 173.544 0.806 18167 15270 1 16 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.817 -0.870 18167 15271 1 16 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.182 -1.214 18167 15272 1 16 . 1 1 130 130 ASP H H 148 8.879 8.879 8.283 0.596 18167 15273 1 16 . 1 1 131 131 LEU N N 149 121.444 121.444 123.985 -2.541 18167 15274 1 16 . 1 1 131 131 LEU HA H 149 5.289 5.289 5.021 0.268 18167 15275 1 16 . 1 1 131 131 LEU C C 149 174.289 174.289 174.231 0.058 18167 15276 1 16 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.193 0.665 18167 15277 1 16 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.187 1.681 18167 15278 1 16 . 1 1 131 131 LEU H H 149 8.916 8.916 8.060 0.856 18167 15279 1 16 . 1 1 132 132 ALA N N 150 128.498 128.498 127.284 1.214 18167 15280 1 16 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.588 0.442 18167 15281 1 16 . 1 1 132 132 ALA C C 150 176.044 176.044 175.141 0.903 18167 15282 1 16 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.305 -0.904 18167 15283 1 16 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.982 -1.159 18167 15284 1 16 . 1 1 132 132 ALA H H 150 9.920 9.920 9.321 0.599 18167 15285 1 16 . 1 1 133 133 SER N N 151 116.937 116.937 116.311 0.626 18167 15286 1 16 . 1 1 133 133 SER HA H 151 5.812 5.812 5.637 0.175 18167 15287 1 16 . 1 1 133 133 SER C C 151 173.367 173.367 173.170 0.197 18167 15288 1 16 . 1 1 133 133 SER CA C 151 56.394 56.394 55.940 0.454 18167 15289 1 16 . 1 1 133 133 SER CB C 151 65.448 65.448 65.276 0.172 18167 15290 1 16 . 1 1 133 133 SER H H 151 9.360 9.360 8.710 0.650 18167 15291 1 16 . 1 1 134 134 VAL N N 152 126.011 126.011 127.480 -1.469 18167 15292 1 16 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.720 0.689 18167 15293 1 16 . 1 1 134 134 VAL C C 152 175.735 175.735 174.659 1.076 18167 15294 1 16 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.331 -1.168 18167 15295 1 16 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.351 1.569 18167 15296 1 16 . 1 1 134 134 VAL H H 152 9.558 9.558 9.189 0.369 18167 15297 1 16 . 1 1 135 135 THR N N 153 118.998 118.998 123.315 -4.317 18167 15298 1 16 . 1 1 135 135 THR HA H 153 4.723 4.723 4.933 -0.210 18167 15299 1 16 . 1 1 135 135 THR C C 153 171.746 171.746 173.288 -1.542 18167 15300 1 16 . 1 1 135 135 THR CA C 153 61.221 61.221 61.123 0.098 18167 15301 1 16 . 1 1 135 135 THR CB C 153 69.300 69.300 72.516 -3.216 18167 15302 1 16 . 1 1 135 135 THR H H 153 8.960 8.960 9.347 -0.387 18167 15303 1 16 . 1 1 136 136 THR N N 154 109.883 109.883 115.863 -5.980 18167 15304 1 16 . 1 1 136 136 THR HA H 154 5.636 5.636 5.346 0.290 18167 15305 1 16 . 1 1 136 136 THR C C 154 173.904 173.904 173.783 0.121 18167 15306 1 16 . 1 1 136 136 THR CA C 154 58.391 58.391 59.523 -1.132 18167 15307 1 16 . 1 1 136 136 THR CB C 154 71.387 71.387 70.555 0.832 18167 15308 1 16 . 1 1 136 136 THR H H 154 7.940 7.940 8.407 -0.467 18167 15309 1 16 . 1 1 137 137 ASN N N 155 115.138 115.138 120.766 -5.628 18167 15310 1 16 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.839 0.067 18167 15311 1 16 . 1 1 137 137 ASN C C 155 174.994 174.994 175.005 -0.011 18167 15312 1 16 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.390 0.955 18167 15313 1 16 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.416 1.391 18167 15314 1 16 . 1 1 137 137 ASN H H 155 8.938 8.938 8.546 0.392 18167 15315 1 16 . 1 1 138 138 ARG N N 156 125.040 125.040 127.262 -2.222 18167 15316 1 16 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.018 -0.061 18167 15317 1 16 . 1 1 138 138 ARG C C 156 175.870 175.870 175.751 0.119 18167 15318 1 16 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.855 0.269 18167 15319 1 16 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.951 -1.292 18167 15320 1 16 . 1 1 138 138 ARG H H 156 9.364 9.364 8.883 0.481 18167 15321 1 16 . 1 1 139 139 GLY N N 157 104.408 104.408 101.993 2.415 18167 15322 1 16 . 1 1 139 139 GLY C C 157 173.563 173.563 174.086 -0.523 18167 15323 1 16 . 1 1 139 139 GLY CA C 157 45.821 45.821 44.962 0.859 18167 15324 1 16 . 1 1 139 139 GLY H H 157 8.862 8.862 8.488 0.374 18167 15325 1 16 . 1 1 140 140 LYS N N 158 117.999 117.999 121.275 -3.276 18167 15326 1 16 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.497 0.463 18167 15327 1 16 . 1 1 140 140 LYS C C 158 174.527 174.527 175.189 -0.662 18167 15328 1 16 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.254 -1.532 18167 15329 1 16 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.619 1.245 18167 15330 1 16 . 1 1 140 140 LYS H H 158 7.718 7.718 7.712 0.006 18167 15331 1 16 . 1 1 141 141 LEU N N 159 124.332 124.332 127.539 -3.207 18167 15332 1 16 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.406 0.224 18167 15333 1 16 . 1 1 141 141 LEU C C 159 175.337 175.337 174.982 0.355 18167 15334 1 16 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.455 -0.217 18167 15335 1 16 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.232 0.640 18167 15336 1 16 . 1 1 141 141 LEU H H 159 9.006 9.006 9.154 -0.148 18167 15337 1 16 . 1 1 142 142 ILE N N 160 128.619 128.619 128.090 0.529 18167 15338 1 16 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.531 0.198 18167 15339 1 16 . 1 1 142 142 ILE C C 160 173.414 173.414 174.655 -1.241 18167 15340 1 16 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.556 0.677 18167 15341 1 16 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.648 -0.464 18167 15342 1 16 . 1 1 142 142 ILE H H 160 9.129 9.129 9.300 -0.171 18167 15343 1 16 . 1 1 143 143 THR N N 161 122.266 122.266 123.461 -1.195 18167 15344 1 16 . 1 1 143 143 THR HA H 161 4.797 4.797 5.322 -0.525 18167 15345 1 16 . 1 1 143 143 THR C C 161 171.903 171.903 173.065 -1.162 18167 15346 1 16 . 1 1 143 143 THR CA C 161 61.666 61.666 61.133 0.533 18167 15347 1 16 . 1 1 143 143 THR CB C 161 70.025 70.025 71.270 -1.245 18167 15348 1 16 . 1 1 143 143 THR H H 161 8.818 8.818 8.458 0.360 18167 15349 1 16 . 1 1 144 144 PHE N N 162 130.742 130.742 126.507 4.235 18167 15350 1 16 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.609 0.181 18167 15351 1 16 . 1 1 144 144 PHE C C 162 173.404 173.404 173.292 0.112 18167 15352 1 16 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.545 -1.325 18167 15353 1 16 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.871 -2.131 18167 15354 1 16 . 1 1 144 144 PHE H H 162 9.219 9.219 9.235 -0.016 18167 15355 1 16 . 1 1 145 145 ASP N N 163 127.154 127.154 128.562 -1.408 18167 15356 1 16 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.114 -0.158 18167 15357 1 16 . 1 1 145 145 ASP C C 163 174.933 174.933 174.501 0.432 18167 15358 1 16 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.029 0.381 18167 15359 1 16 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.983 0.341 18167 15360 1 16 . 1 1 145 145 ASP H H 163 8.862 8.862 8.447 0.415 18167 15361 1 16 . 1 1 146 146 LEU N N 164 131.658 131.658 127.208 4.450 18167 15362 1 16 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.791 -0.196 18167 15363 1 16 . 1 1 146 146 LEU C C 164 174.511 174.511 175.582 -1.071 18167 15364 1 16 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.507 -0.536 18167 15365 1 16 . 1 1 146 146 LEU CB C 164 43.097 43.097 44.708 -1.611 18167 15366 1 16 . 1 1 146 146 LEU H H 164 8.938 8.938 8.850 0.088 18167 15367 1 16 . 1 1 147 147 SER N N 165 114.966 114.966 119.872 -4.906 18167 15368 1 16 . 1 1 147 147 SER HA H 165 5.186 5.186 5.141 0.045 18167 15369 1 16 . 1 1 147 147 SER C C 165 173.417 173.417 173.357 0.060 18167 15370 1 16 . 1 1 147 147 SER CA C 165 56.600 56.600 57.690 -1.089 18167 15371 1 16 . 1 1 147 147 SER CB C 165 67.205 67.205 65.895 1.310 18167 15372 1 16 . 1 1 147 147 SER H H 165 8.995 8.995 8.398 0.597 18167 15373 1 16 . 1 1 148 148 THR N N 166 118.620 118.620 118.858 -0.238 18167 15374 1 16 . 1 1 148 148 THR HA H 166 5.144 5.144 4.725 0.419 18167 15375 1 16 . 1 1 148 148 THR C C 166 173.151 173.151 172.866 0.285 18167 15376 1 16 . 1 1 148 148 THR CA C 166 60.362 60.362 61.760 -1.398 18167 15377 1 16 . 1 1 148 148 THR CB C 166 69.214 69.214 72.758 -3.544 18167 15378 1 16 . 1 1 148 148 THR H H 166 8.614 8.614 8.142 0.472 18167 15379 1 16 . 1 1 149 149 ALA N N 167 124.595 124.595 124.910 -0.315 18167 15380 1 16 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.462 0.143 18167 15381 1 16 . 1 1 149 149 ALA C C 167 179.460 179.460 178.882 0.578 18167 15382 1 16 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.462 -0.905 18167 15383 1 16 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.834 0.424 18167 15384 1 16 . 1 1 149 149 ALA H H 167 8.107 8.107 8.630 -0.523 18167 15385 1 16 . 1 1 150 150 GLU N N 168 123.906 123.906 121.502 2.404 18167 15386 1 16 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.213 0.285 18167 15387 1 16 . 1 1 150 150 GLU C C 168 178.587 178.587 177.843 0.744 18167 15388 1 16 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.983 -0.037 18167 15389 1 16 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.514 -0.807 18167 15390 1 16 . 1 1 150 150 GLU H H 168 8.471 8.471 9.074 -0.603 18167 15391 1 16 . 1 1 151 151 ASP N N 169 114.005 114.005 119.649 -5.644 18167 15392 1 16 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.481 0.002 18167 15393 1 16 . 1 1 151 151 ASP C C 169 177.260 177.260 177.212 0.048 18167 15394 1 16 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.424 -0.506 18167 15395 1 16 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.777 -0.692 18167 15396 1 16 . 1 1 151 151 ASP H H 169 8.575 8.575 8.614 -0.039 18167 15397 1 16 . 1 1 152 152 ARG N N 170 118.283 118.283 116.643 1.640 18167 15398 1 16 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.653 -0.322 18167 15399 1 16 . 1 1 152 152 ARG C C 170 177.094 177.094 177.245 -0.151 18167 15400 1 16 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.679 0.157 18167 15401 1 16 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.731 0.253 18167 15402 1 16 . 1 1 152 152 ARG H H 170 7.663 7.663 7.635 0.028 18167 15403 1 16 . 1 1 153 153 TRP N N 171 122.336 122.336 123.622 -1.286 18167 15404 1 16 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.509 -0.599 18167 15405 1 16 . 1 1 153 153 TRP C C 171 175.820 175.820 176.295 -0.475 18167 15406 1 16 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.791 -0.915 18167 15407 1 16 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.425 -0.017 18167 15408 1 16 . 1 1 153 153 TRP H H 171 7.689 7.689 7.872 -0.183 18167 15409 1 16 . 1 1 154 154 ASP N N 172 114.179 114.179 117.292 -3.113 18167 15410 1 16 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.499 -0.482 18167 15411 1 16 . 1 1 154 154 ASP C C 172 178.442 178.442 179.256 -0.814 18167 15412 1 16 . 1 1 154 154 ASP CA C 172 57.503 57.503 56.905 0.598 18167 15413 1 16 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.671 -0.507 18167 15414 1 16 . 1 1 154 154 ASP H H 172 8.690 8.690 8.439 0.251 18167 15415 1 16 . 1 1 155 155 THR N N 173 114.661 114.661 116.294 -1.633 18167 15416 1 16 . 1 1 155 155 THR HA H 173 3.990 3.990 4.101 -0.111 18167 15417 1 16 . 1 1 155 155 THR C C 173 175.985 175.985 175.841 0.144 18167 15418 1 16 . 1 1 155 155 THR CA C 173 65.585 65.585 65.493 0.091 18167 15419 1 16 . 1 1 155 155 THR CB C 173 69.076 69.076 69.201 -0.125 18167 15420 1 16 . 1 1 155 155 THR H H 173 7.635 7.635 7.779 -0.144 18167 15421 1 16 . 1 1 156 156 VAL N N 174 113.687 113.687 113.523 0.164 18167 15422 1 16 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.293 -0.016 18167 15423 1 16 . 1 1 156 156 VAL C C 174 176.185 176.185 175.152 1.033 18167 15424 1 16 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.312 1.132 18167 15425 1 16 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.692 2.461 18167 15426 1 16 . 1 1 156 156 VAL H H 174 7.447 7.447 7.828 -0.381 18167 15427 1 16 . 1 1 157 157 LYS N N 175 123.084 123.084 120.599 2.485 18167 15428 1 16 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.647 -0.803 18167 15429 1 16 . 1 1 157 157 LYS C C 175 177.321 177.321 177.797 -0.476 18167 15430 1 16 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.375 0.844 18167 15431 1 16 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.718 -1.523 18167 15432 1 16 . 1 1 157 157 LYS H H 175 7.548 7.548 7.137 0.411 18167 15433 1 16 . 1 1 158 158 SER N N 176 114.046 114.046 115.813 -1.767 18167 15434 1 16 . 1 1 158 158 SER HA H 176 3.820 3.820 4.134 -0.314 18167 15435 1 16 . 1 1 158 158 SER C C 176 176.927 176.927 176.182 0.745 18167 15436 1 16 . 1 1 158 158 SER CA C 176 61.600 61.600 60.750 0.850 18167 15437 1 16 . 1 1 158 158 SER CB C 176 62.048 62.048 62.674 -0.626 18167 15438 1 16 . 1 1 158 158 SER H H 176 8.161 8.161 8.186 -0.025 18167 15439 1 16 . 1 1 159 159 LEU N N 177 126.125 126.125 123.311 2.814 18167 15440 1 16 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.765 0.408 18167 15441 1 16 . 1 1 159 159 LEU C C 177 178.403 178.403 177.924 0.479 18167 15442 1 16 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.738 -0.036 18167 15443 1 16 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.271 -0.195 18167 15444 1 16 . 1 1 159 159 LEU H H 177 7.587 7.587 6.884 0.703 18167 15445 1 16 . 1 1 160 160 PHE N N 178 119.582 119.582 117.320 2.262 18167 15446 1 16 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.904 0.378 18167 15447 1 16 . 1 1 160 160 PHE C C 178 177.277 177.277 177.737 -0.460 18167 15448 1 16 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.508 -2.797 18167 15449 1 16 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.399 -1.859 18167 15450 1 16 . 1 1 160 160 PHE H H 178 9.067 9.067 6.772 2.295 18167 15451 1 16 . 1 1 161 161 ASP N N 179 120.599 120.599 119.637 0.962 18167 15452 1 16 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.386 -0.046 18167 15453 1 16 . 1 1 161 161 ASP C C 179 179.216 179.216 179.011 0.205 18167 15454 1 16 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.292 0.610 18167 15455 1 16 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.141 0.816 18167 15456 1 16 . 1 1 161 161 ASP H H 179 8.578 8.578 7.676 0.902 18167 15457 1 16 . 1 1 162 162 THR N N 180 118.300 118.300 117.631 0.669 18167 15458 1 16 . 1 1 162 162 THR HA H 180 3.849 3.849 3.956 -0.107 18167 15459 1 16 . 1 1 162 162 THR C C 180 176.875 176.875 176.962 -0.087 18167 15460 1 16 . 1 1 162 162 THR CA C 180 66.977 66.977 66.707 0.270 18167 15461 1 16 . 1 1 162 162 THR CB C 180 68.886 68.886 68.951 -0.065 18167 15462 1 16 . 1 1 162 162 THR H H 180 7.771 7.771 8.391 -0.620 18167 15463 1 16 . 1 1 163 163 VAL N N 181 123.234 123.234 121.623 1.611 18167 15464 1 16 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.572 0.022 18167 15465 1 16 . 1 1 163 163 VAL C C 181 180.016 180.016 177.698 2.318 18167 15466 1 16 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.633 0.123 18167 15467 1 16 . 1 1 163 163 VAL CB C 181 31.712 31.712 30.885 0.827 18167 15468 1 16 . 1 1 163 163 VAL H H 181 8.831 8.831 8.359 0.472 18167 15469 1 16 . 1 1 164 164 ALA N N 182 124.654 124.654 121.740 2.914 18167 15470 1 16 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.231 1.031 18167 15471 1 16 . 1 1 164 164 ALA C C 182 180.510 180.510 178.802 1.708 18167 15472 1 16 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.224 2.235 18167 15473 1 16 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.276 -0.713 18167 15474 1 16 . 1 1 164 164 ALA H H 182 9.662 9.662 7.996 1.666 18167 15475 1 16 . 1 1 165 165 SER N N 183 112.325 112.325 112.259 0.066 18167 15476 1 16 . 1 1 165 165 SER HA H 183 4.173 4.173 4.422 -0.249 18167 15477 1 16 . 1 1 165 165 SER C C 183 173.817 173.817 175.979 -2.162 18167 15478 1 16 . 1 1 165 165 SER CA C 183 61.155 61.155 60.344 0.811 18167 15479 1 16 . 1 1 165 165 SER CB C 183 63.140 63.140 63.698 -0.558 18167 15480 1 16 . 1 1 165 165 SER H H 183 7.988 7.988 7.820 0.168 18167 15481 1 16 . 1 1 166 166 SER N N 184 117.332 117.332 116.601 0.731 18167 15482 1 16 . 1 1 166 166 SER HA H 184 4.356 4.356 4.430 -0.074 18167 15483 1 16 . 1 1 166 166 SER C C 184 174.163 174.163 175.676 -1.513 18167 15484 1 16 . 1 1 166 166 SER CA C 184 59.502 59.502 60.110 -0.608 18167 15485 1 16 . 1 1 166 166 SER CB C 184 63.416 63.416 63.652 -0.236 18167 15486 1 16 . 1 1 166 166 SER H H 184 7.766 7.766 8.197 -0.431 18167 15487 1 16 . 1 1 167 167 PHE N N 185 124.827 124.827 121.473 3.354 18167 15488 1 16 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.996 0.167 18167 15489 1 16 . 1 1 167 167 PHE C C 185 174.545 174.545 175.219 -0.674 18167 15490 1 16 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.955 -0.453 18167 15491 1 16 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.534 -1.144 18167 15492 1 16 . 1 1 167 167 PHE H H 185 7.101 7.101 7.823 -0.722 18167 15493 1 16 . 1 1 168 168 HIS N N 186 127.050 127.050 120.003 7.047 18167 15494 1 16 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.618 0.535 18167 15495 1 16 . 1 1 168 168 HIS C C 186 172.836 172.836 173.227 -0.391 18167 15496 1 16 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.956 -0.800 18167 15497 1 16 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.119 -2.116 18167 15498 1 16 . 1 1 168 168 HIS H H 186 8.645 8.645 9.086 -0.441 18167 15499 1 16 . 1 1 169 169 VAL N N 187 114.268 114.268 117.479 -3.211 18167 15500 1 16 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.256 -0.096 18167 15501 1 16 . 1 1 169 169 VAL C C 187 174.449 174.449 174.187 0.262 18167 15502 1 16 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.034 -0.681 18167 15503 1 16 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.899 -1.490 18167 15504 1 16 . 1 1 169 169 VAL H H 187 7.466 7.466 7.451 0.015 18167 15505 1 17 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.446 0.026 18167 15506 1 17 . 1 1 2 2 PRO C C 20 177.006 177.006 177.003 0.003 18167 15507 1 17 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.416 -0.376 18167 15508 1 17 . 1 1 2 2 PRO CB C 20 32.064 32.064 31.899 0.165 18167 15509 1 17 . 1 1 3 3 LEU N N 21 122.423 122.423 118.626 3.797 18167 15510 1 17 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.589 -0.248 18167 15511 1 17 . 1 1 3 3 LEU C C 21 177.928 177.928 176.331 1.597 18167 15512 1 17 . 1 1 3 3 LEU CA C 21 55.318 55.318 54.156 1.162 18167 15513 1 17 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.184 0.082 18167 15514 1 17 . 1 1 3 3 LEU H H 21 8.551 8.551 7.484 1.067 18167 15515 1 17 . 1 1 4 4 GLY N N 22 109.759 109.759 106.083 3.676 18167 15516 1 17 . 1 1 4 4 GLY C C 22 174.309 174.309 174.890 -0.581 18167 15517 1 17 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.043 0.187 18167 15518 1 17 . 1 1 4 4 GLY H H 22 8.423 8.423 7.890 0.533 18167 15519 1 17 . 1 1 5 5 SER N N 23 115.538 115.538 114.711 0.827 18167 15520 1 17 . 1 1 5 5 SER HA H 23 4.488 4.488 4.230 0.258 18167 15521 1 17 . 1 1 5 5 SER C C 23 174.841 174.841 175.521 -0.680 18167 15522 1 17 . 1 1 5 5 SER CA C 23 58.329 58.329 59.641 -1.312 18167 15523 1 17 . 1 1 5 5 SER CB C 23 63.957 63.957 63.466 0.491 18167 15524 1 17 . 1 1 5 5 SER H H 23 8.233 8.233 8.598 -0.365 18167 15525 1 17 . 1 1 6 6 CYS N N 24 120.699 120.699 117.490 3.209 18167 15526 1 17 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.166 0.376 18167 15527 1 17 . 1 1 6 6 CYS C C 24 175.079 175.079 175.399 -0.320 18167 15528 1 17 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.930 -1.213 18167 15529 1 17 . 1 1 6 6 CYS CB C 24 27.969 27.969 27.672 0.297 18167 15530 1 17 . 1 1 6 6 CYS H H 24 8.493 8.493 7.937 0.556 18167 15531 1 17 . 1 1 7 7 GLY N N 25 110.895 110.895 106.425 4.470 18167 15532 1 17 . 1 1 7 7 GLY C C 25 174.402 174.402 174.143 0.259 18167 15533 1 17 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.255 1.223 18167 15534 1 17 . 1 1 7 7 GLY H H 25 8.449 8.449 7.610 0.839 18167 15535 1 17 . 1 1 8 8 GLY N N 26 108.733 108.733 106.453 2.280 18167 15536 1 17 . 1 1 8 8 GLY C C 26 174.113 174.113 174.796 -0.683 18167 15537 1 17 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.875 0.305 18167 15538 1 17 . 1 1 8 8 GLY H H 26 8.236 8.236 8.530 -0.294 18167 15539 1 17 . 1 1 9 9 VAL N N 27 118.903 118.903 115.989 2.914 18167 15540 1 17 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.262 -0.138 18167 15541 1 17 . 1 1 9 9 VAL C C 27 176.630 176.630 175.883 0.747 18167 15542 1 17 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.033 0.352 18167 15543 1 17 . 1 1 9 9 VAL CB C 27 32.521 32.521 32.230 0.291 18167 15544 1 17 . 1 1 9 9 VAL H H 27 8.019 8.019 7.671 0.348 18167 15545 1 17 . 1 1 10 10 GLY N N 28 112.317 112.317 114.664 -2.347 18167 15546 1 17 . 1 1 10 10 GLY C C 28 174.378 174.378 173.247 1.131 18167 15547 1 17 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.658 0.688 18167 15548 1 17 . 1 1 10 10 GLY H H 28 8.483 8.483 8.202 0.281 18167 15549 1 17 . 1 1 11 11 ILE N N 29 119.788 119.788 122.359 -2.571 18167 15550 1 17 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.366 -0.285 18167 15551 1 17 . 1 1 11 11 ILE C C 29 176.168 176.168 175.291 0.877 18167 15552 1 17 . 1 1 11 11 ILE CA C 29 61.412 61.412 61.537 -0.125 18167 15553 1 17 . 1 1 11 11 ILE CB C 29 38.557 38.557 37.203 1.354 18167 15554 1 17 . 1 1 11 11 ILE H H 29 7.948 7.948 8.549 -0.601 18167 15555 1 17 . 1 1 12 12 ALA N N 30 126.009 126.009 129.587 -3.578 18167 15556 1 17 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.506 -0.218 18167 15557 1 17 . 1 1 12 12 ALA C C 30 177.504 177.504 175.343 2.161 18167 15558 1 17 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.583 1.282 18167 15559 1 17 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.528 -1.562 18167 15560 1 17 . 1 1 12 12 ALA H H 30 8.247 8.247 8.099 0.148 18167 15561 1 17 . 1 1 13 13 SER N N 31 113.949 113.949 116.486 -2.537 18167 15562 1 17 . 1 1 13 13 SER HA H 31 4.392 4.392 4.445 -0.053 18167 15563 1 17 . 1 1 13 13 SER C C 31 173.644 173.644 173.572 0.072 18167 15564 1 17 . 1 1 13 13 SER CA C 31 58.329 58.329 58.645 -0.317 18167 15565 1 17 . 1 1 13 13 SER CB C 31 63.609 63.609 63.661 -0.052 18167 15566 1 17 . 1 1 13 13 SER H H 31 8.045 8.045 8.369 -0.324 18167 15567 1 17 . 1 1 14 14 LEU N N 32 122.240 122.240 123.166 -0.926 18167 15568 1 17 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.378 0.167 18167 15569 1 17 . 1 1 14 14 LEU C C 32 176.001 176.001 176.323 -0.322 18167 15570 1 17 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.681 0.196 18167 15571 1 17 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.716 0.529 18167 15572 1 17 . 1 1 14 14 LEU H H 32 7.749 7.749 8.396 -0.647 18167 15573 1 17 . 1 1 15 15 GLN N N 33 120.685 120.685 121.869 -1.184 18167 15574 1 17 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.721 -0.339 18167 15575 1 17 . 1 1 15 15 GLN C C 33 172.944 172.944 173.553 -0.609 18167 15576 1 17 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.635 -0.174 18167 15577 1 17 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.959 -1.216 18167 15578 1 17 . 1 1 15 15 GLN H H 33 8.780 8.780 8.184 0.596 18167 15579 1 17 . 1 1 16 16 ARG N N 34 120.341 120.341 118.593 1.748 18167 15580 1 17 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.904 0.000 18167 15581 1 17 . 1 1 16 16 ARG C C 34 175.846 175.846 174.732 1.114 18167 15582 1 17 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.702 0.999 18167 15583 1 17 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.691 0.051 18167 15584 1 17 . 1 1 16 16 ARG H H 34 8.274 8.274 8.423 -0.149 18167 15585 1 17 . 1 1 17 17 TYR N N 35 128.733 128.733 125.154 3.579 18167 15586 1 17 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.677 -0.119 18167 15587 1 17 . 1 1 17 17 TYR C C 35 173.307 173.307 173.232 0.075 18167 15588 1 17 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.790 -0.057 18167 15589 1 17 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.601 -0.018 18167 15590 1 17 . 1 1 17 17 TYR H H 35 9.104 9.104 8.640 0.464 18167 15591 1 17 . 1 1 18 18 SER N N 36 119.150 119.150 121.015 -1.865 18167 15592 1 17 . 1 1 18 18 SER HA H 36 4.786 4.786 4.672 0.114 18167 15593 1 17 . 1 1 18 18 SER C C 36 172.002 172.002 172.794 -0.792 18167 15594 1 17 . 1 1 18 18 SER CA C 36 56.341 56.341 57.012 -0.671 18167 15595 1 17 . 1 1 18 18 SER CB C 36 65.327 65.327 66.236 -0.909 18167 15596 1 17 . 1 1 18 18 SER H H 36 7.398 7.398 8.044 -0.646 18167 15597 1 17 . 1 1 19 19 ASP N N 37 124.935 124.935 124.837 0.098 18167 15598 1 17 . 1 1 19 19 ASP HA H 37 4.671 4.671 5.042 -0.371 18167 15599 1 17 . 1 1 19 19 ASP C C 37 176.089 176.089 176.576 -0.487 18167 15600 1 17 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.791 -0.982 18167 15601 1 17 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.412 -0.947 18167 15602 1 17 . 1 1 19 19 ASP H H 37 8.607 8.607 8.277 0.330 18167 15603 1 17 . 1 1 20 20 THR N N 38 117.032 117.032 112.571 4.461 18167 15604 1 17 . 1 1 20 20 THR HA H 38 4.316 4.316 4.123 0.193 18167 15605 1 17 . 1 1 20 20 THR C C 38 175.794 175.794 175.356 0.438 18167 15606 1 17 . 1 1 20 20 THR CA C 38 63.123 63.123 64.507 -1.384 18167 15607 1 17 . 1 1 20 20 THR CB C 38 68.905 68.905 68.981 -0.076 18167 15608 1 17 . 1 1 20 20 THR H H 38 8.470 8.470 8.592 -0.122 18167 15609 1 17 . 1 1 21 21 LYS N N 39 124.893 124.893 120.069 4.824 18167 15610 1 17 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.162 0.027 18167 15611 1 17 . 1 1 21 21 LYS C C 39 177.678 177.678 176.688 0.990 18167 15612 1 17 . 1 1 21 21 LYS CA C 39 58.795 58.795 58.598 0.197 18167 15613 1 17 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.374 -0.706 18167 15614 1 17 . 1 1 21 21 LYS H H 39 8.201 8.201 8.150 0.051 18167 15615 1 17 . 1 1 22 22 ASP N N 40 118.183 118.183 115.372 2.811 18167 15616 1 17 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.801 0.020 18167 15617 1 17 . 1 1 22 22 ASP C C 40 176.752 176.752 176.588 0.164 18167 15618 1 17 . 1 1 22 22 ASP CA C 40 54.879 54.879 53.568 1.311 18167 15619 1 17 . 1 1 22 22 ASP CB C 40 41.869 41.869 42.981 -1.113 18167 15620 1 17 . 1 1 22 22 ASP H H 40 8.480 8.480 7.767 0.713 18167 15621 1 17 . 1 1 23 23 GLY N N 41 108.978 108.978 108.133 0.845 18167 15622 1 17 . 1 1 23 23 GLY C C 41 172.396 172.396 172.789 -0.393 18167 15623 1 17 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.355 1.761 18167 15624 1 17 . 1 1 23 23 GLY H H 41 7.421 7.421 8.287 -0.866 18167 15625 1 17 . 1 1 24 24 TYR N N 42 112.046 112.046 115.421 -3.375 18167 15626 1 17 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.854 -0.460 18167 15627 1 17 . 1 1 24 24 TYR C C 42 173.028 173.028 173.040 -0.012 18167 15628 1 17 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.800 1.032 18167 15629 1 17 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.386 0.467 18167 15630 1 17 . 1 1 24 24 TYR H H 42 7.506 7.506 7.838 -0.332 18167 15631 1 17 . 1 1 25 25 GLU N N 43 117.470 117.470 120.372 -2.902 18167 15632 1 17 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.307 0.161 18167 15633 1 17 . 1 1 25 25 GLU C C 43 173.311 173.311 174.517 -1.206 18167 15634 1 17 . 1 1 25 25 GLU CA C 43 54.231 54.231 54.697 -0.466 18167 15635 1 17 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.272 -0.647 18167 15636 1 17 . 1 1 25 25 GLU H H 43 8.934 8.934 8.907 0.027 18167 15637 1 17 . 1 1 26 26 PHE N N 44 112.795 112.795 115.684 -2.889 18167 15638 1 17 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.077 -0.235 18167 15639 1 17 . 1 1 26 26 PHE C C 44 172.776 172.776 172.966 -0.190 18167 15640 1 17 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.798 -0.182 18167 15641 1 17 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.600 -1.151 18167 15642 1 17 . 1 1 26 26 PHE H H 44 8.532 8.532 8.205 0.327 18167 15643 1 17 . 1 1 27 27 LEU N N 45 119.784 119.784 122.330 -2.546 18167 15644 1 17 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.232 0.288 18167 15645 1 17 . 1 1 27 27 LEU C C 45 174.965 174.965 176.339 -1.374 18167 15646 1 17 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.136 -1.362 18167 15647 1 17 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.833 0.817 18167 15648 1 17 . 1 1 27 27 LEU H H 45 9.241 9.241 8.791 0.450 18167 15649 1 17 . 1 1 28 28 TYR N N 46 113.008 113.008 119.602 -6.594 18167 15650 1 17 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.770 0.143 18167 15651 1 17 . 1 1 28 28 TYR C C 46 171.354 171.354 171.997 -0.643 18167 15652 1 17 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.319 0.438 18167 15653 1 17 . 1 1 28 28 TYR CB C 46 38.147 38.147 39.328 -1.181 18167 15654 1 17 . 1 1 28 28 TYR H H 46 8.951 8.951 8.432 0.519 18167 15655 1 17 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.321 -0.314 18167 15656 1 17 . 1 1 29 29 PRO C C 47 176.165 176.165 176.227 -0.062 18167 15657 1 17 . 1 1 29 29 PRO CA C 47 63.318 63.318 61.861 1.457 18167 15658 1 17 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.598 -1.258 18167 15659 1 17 . 1 1 30 30 ASN N N 48 119.923 119.923 119.268 0.655 18167 15660 1 17 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.238 0.025 18167 15661 1 17 . 1 1 30 30 ASN C C 48 176.347 176.347 176.366 -0.019 18167 15662 1 17 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.962 1.240 18167 15663 1 17 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.209 0.379 18167 15664 1 17 . 1 1 30 30 ASN H H 48 8.163 8.163 8.014 0.149 18167 15665 1 17 . 1 1 31 31 GLY N N 49 111.442 111.442 106.723 4.719 18167 15666 1 17 . 1 1 31 31 GLY C C 49 174.985 174.985 174.411 0.574 18167 15667 1 17 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.227 0.165 18167 15668 1 17 . 1 1 31 31 GLY H H 49 8.702 8.702 8.638 0.064 18167 15669 1 17 . 1 1 32 32 TRP N N 50 122.100 122.100 120.379 1.721 18167 15670 1 17 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.075 0.267 18167 15671 1 17 . 1 1 32 32 TRP C C 50 176.370 176.370 177.308 -0.938 18167 15672 1 17 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.120 1.173 18167 15673 1 17 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.096 0.008 18167 15674 1 17 . 1 1 32 32 TRP H H 50 8.008 8.008 7.733 0.275 18167 15675 1 17 . 1 1 33 33 ILE N N 51 117.163 117.163 119.505 -2.342 18167 15676 1 17 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.795 0.160 18167 15677 1 17 . 1 1 33 33 ILE C C 51 175.549 175.549 175.122 0.427 18167 15678 1 17 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.962 -0.734 18167 15679 1 17 . 1 1 33 33 ILE CB C 51 42.089 42.089 40.803 1.286 18167 15680 1 17 . 1 1 33 33 ILE H H 51 9.249 9.249 8.494 0.755 18167 15681 1 17 . 1 1 34 34 GLY N N 52 111.812 111.812 111.495 0.317 18167 15682 1 17 . 1 1 34 34 GLY C C 52 173.956 173.956 173.855 0.101 18167 15683 1 17 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.753 1.651 18167 15684 1 17 . 1 1 34 34 GLY H H 52 8.787 8.787 8.338 0.449 18167 15685 1 17 . 1 1 35 35 VAL N N 53 122.174 122.174 123.622 -1.448 18167 15686 1 17 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.136 0.008 18167 15687 1 17 . 1 1 35 35 VAL C C 53 174.921 174.921 175.463 -0.542 18167 15688 1 17 . 1 1 35 35 VAL CA C 53 60.657 60.657 61.163 -0.506 18167 15689 1 17 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.026 0.014 18167 15690 1 17 . 1 1 35 35 VAL H H 53 7.763 7.763 8.582 -0.819 18167 15691 1 17 . 1 1 36 36 ASP N N 54 125.424 125.424 126.442 -1.018 18167 15692 1 17 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.640 -0.051 18167 15693 1 17 . 1 1 36 36 ASP C C 54 176.890 176.890 176.105 0.785 18167 15694 1 17 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.986 -0.536 18167 15695 1 17 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.298 -0.125 18167 15696 1 17 . 1 1 36 36 ASP H H 54 8.425 8.425 8.601 -0.176 18167 15697 1 17 . 1 1 37 37 VAL N N 55 120.335 120.335 118.248 2.087 18167 15698 1 17 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.360 -0.192 18167 15699 1 17 . 1 1 37 37 VAL C C 55 176.785 176.785 175.357 1.428 18167 15700 1 17 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.273 0.646 18167 15701 1 17 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.596 -0.806 18167 15702 1 17 . 1 1 37 37 VAL H H 55 8.215 8.215 8.242 -0.027 18167 15703 1 17 . 1 1 38 38 LYS N N 56 124.881 124.881 123.001 1.880 18167 15704 1 17 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.308 -0.106 18167 15705 1 17 . 1 1 38 38 LYS C C 56 177.828 177.828 177.636 0.192 18167 15706 1 17 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.283 0.720 18167 15707 1 17 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.162 -0.525 18167 15708 1 17 . 1 1 38 38 LYS H H 56 8.331 8.331 8.351 -0.020 18167 15709 1 17 . 1 1 39 39 GLY N N 57 111.152 111.152 112.639 -1.487 18167 15710 1 17 . 1 1 39 39 GLY C C 57 174.253 174.253 174.209 0.044 18167 15711 1 17 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.755 0.605 18167 15712 1 17 . 1 1 39 39 GLY H H 57 8.651 8.651 8.971 -0.320 18167 15713 1 17 . 1 1 40 40 ALA N N 58 123.085 123.085 122.551 0.534 18167 15714 1 17 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.396 -0.013 18167 15715 1 17 . 1 1 40 40 ALA C C 58 177.125 177.125 177.116 0.009 18167 15716 1 17 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.462 0.892 18167 15717 1 17 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.701 -0.084 18167 15718 1 17 . 1 1 40 40 ALA H H 58 7.839 7.839 7.550 0.289 18167 15719 1 17 . 1 1 41 41 SER N N 59 115.088 115.088 115.771 -0.683 18167 15720 1 17 . 1 1 41 41 SER HA H 59 4.688 4.688 4.421 0.267 18167 15721 1 17 . 1 1 41 41 SER C C 59 171.885 171.885 173.320 -1.435 18167 15722 1 17 . 1 1 41 41 SER CA C 59 56.951 56.951 57.653 -0.702 18167 15723 1 17 . 1 1 41 41 SER CB C 59 63.123 63.123 62.940 0.183 18167 15724 1 17 . 1 1 41 41 SER H H 59 8.186 8.186 8.263 -0.077 18167 15725 1 17 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.365 -0.016 18167 15726 1 17 . 1 1 42 42 PRO C C 60 177.660 177.660 177.697 -0.037 18167 15727 1 17 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.699 0.526 18167 15728 1 17 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.540 0.002 18167 15729 1 17 . 1 1 43 43 GLY N N 61 111.997 111.997 111.247 0.750 18167 15730 1 17 . 1 1 43 43 GLY C C 61 174.070 174.070 173.905 0.165 18167 15731 1 17 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.988 0.626 18167 15732 1 17 . 1 1 43 43 GLY H H 61 8.730 8.730 8.680 0.050 18167 15733 1 17 . 1 1 44 44 VAL N N 62 120.539 120.539 121.004 -0.465 18167 15734 1 17 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.867 0.410 18167 15735 1 17 . 1 1 44 44 VAL C C 62 175.277 175.277 175.204 0.073 18167 15736 1 17 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.389 -1.463 18167 15737 1 17 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.710 -0.155 18167 15738 1 17 . 1 1 44 44 VAL H H 62 7.573 7.573 7.427 0.146 18167 15739 1 17 . 1 1 45 45 ASP N N 63 128.619 128.619 126.923 1.696 18167 15740 1 17 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.774 0.133 18167 15741 1 17 . 1 1 45 45 ASP C C 63 176.177 176.177 175.332 0.845 18167 15742 1 17 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.698 1.157 18167 15743 1 17 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.980 0.295 18167 15744 1 17 . 1 1 45 45 ASP H H 63 9.084 9.084 8.499 0.585 18167 15745 1 17 . 1 1 46 46 VAL N N 64 115.687 115.687 117.148 -1.461 18167 15746 1 17 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.290 0.020 18167 15747 1 17 . 1 1 46 46 VAL C C 64 172.853 172.853 173.802 -0.949 18167 15748 1 17 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.490 0.680 18167 15749 1 17 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.816 0.092 18167 15750 1 17 . 1 1 46 46 VAL H H 64 7.314 7.314 7.532 -0.218 18167 15751 1 17 . 1 1 47 47 VAL N N 65 124.933 124.933 123.699 1.234 18167 15752 1 17 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.437 0.619 18167 15753 1 17 . 1 1 47 47 VAL C C 65 175.266 175.266 174.149 1.117 18167 15754 1 17 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.274 -0.192 18167 15755 1 17 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.255 2.412 18167 15756 1 17 . 1 1 47 47 VAL H H 65 8.146 8.146 7.875 0.271 18167 15757 1 17 . 1 1 48 48 PHE N N 66 122.916 122.916 125.795 -2.879 18167 15758 1 17 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.369 0.122 18167 15759 1 17 . 1 1 48 48 PHE C C 66 174.371 174.371 174.682 -0.311 18167 15760 1 17 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.268 0.261 18167 15761 1 17 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.690 1.469 18167 15762 1 17 . 1 1 48 48 PHE H H 66 8.469 8.469 9.444 -0.975 18167 15763 1 17 . 1 1 49 49 ARG N N 67 116.381 116.381 121.614 -5.233 18167 15764 1 17 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.568 -0.063 18167 15765 1 17 . 1 1 49 49 ARG C C 67 173.455 173.455 174.083 -0.628 18167 15766 1 17 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.701 -0.867 18167 15767 1 17 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.280 0.618 18167 15768 1 17 . 1 1 49 49 ARG H H 67 9.271 9.271 8.912 0.359 18167 15769 1 17 . 1 1 50 50 ASP N N 68 121.066 121.066 127.236 -6.170 18167 15770 1 17 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.680 -0.629 18167 15771 1 17 . 1 1 50 50 ASP C C 68 176.670 176.670 176.342 0.328 18167 15772 1 17 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.631 0.985 18167 15773 1 17 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.166 1.735 18167 15774 1 17 . 1 1 50 50 ASP H H 68 7.165 7.165 8.048 -0.883 18167 15775 1 17 . 1 1 51 51 LEU N N 69 124.078 124.078 124.328 -0.250 18167 15776 1 17 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.011 0.014 18167 15777 1 17 . 1 1 51 51 LEU C C 69 177.463 177.463 178.799 -1.336 18167 15778 1 17 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.751 -0.343 18167 15779 1 17 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.056 1.093 18167 15780 1 17 . 1 1 51 51 LEU H H 69 8.314 8.314 8.287 0.027 18167 15781 1 17 . 1 1 52 52 ILE N N 70 118.341 118.341 117.227 1.114 18167 15782 1 17 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.885 0.188 18167 15783 1 17 . 1 1 52 52 ILE C C 70 177.093 177.093 176.479 0.614 18167 15784 1 17 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.722 -1.864 18167 15785 1 17 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.188 0.432 18167 15786 1 17 . 1 1 52 52 ILE H H 70 8.178 8.178 7.995 0.183 18167 15787 1 17 . 1 1 53 53 GLU N N 71 122.254 122.254 116.961 5.293 18167 15788 1 17 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.536 -0.152 18167 15789 1 17 . 1 1 53 53 GLU C C 71 176.084 176.084 176.197 -0.113 18167 15790 1 17 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.180 -0.372 18167 15791 1 17 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.766 -1.008 18167 15792 1 17 . 1 1 53 53 GLU H H 71 8.974 8.974 8.037 0.937 18167 15793 1 17 . 1 1 54 54 ARG N N 72 121.414 121.414 123.307 -1.893 18167 15794 1 17 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.083 -0.101 18167 15795 1 17 . 1 1 54 54 ARG C C 72 176.478 176.478 176.294 0.184 18167 15796 1 17 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.822 -0.582 18167 15797 1 17 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.154 -0.190 18167 15798 1 17 . 1 1 54 54 ARG H H 72 8.052 8.052 8.428 -0.376 18167 15799 1 17 . 1 1 55 55 ASP N N 73 117.425 117.425 116.647 0.778 18167 15800 1 17 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.442 0.009 18167 15801 1 17 . 1 1 55 55 ASP C C 73 173.783 173.783 175.888 -2.105 18167 15802 1 17 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.203 -0.129 18167 15803 1 17 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.365 0.377 18167 15804 1 17 . 1 1 55 55 ASP H H 73 8.455 8.455 8.330 0.125 18167 15805 1 17 . 1 1 56 56 GLU N N 74 124.050 124.050 121.340 2.710 18167 15806 1 17 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.907 0.592 18167 15807 1 17 . 1 1 56 56 GLU C C 74 174.110 174.110 175.040 -0.930 18167 15808 1 17 . 1 1 56 56 GLU CA C 74 56.478 56.478 55.483 0.996 18167 15809 1 17 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.915 1.531 18167 15810 1 17 . 1 1 56 56 GLU H H 74 7.773 7.773 7.569 0.204 18167 15811 1 17 . 1 1 57 57 ASN N N 75 119.794 119.794 123.618 -3.824 18167 15812 1 17 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.834 -0.071 18167 15813 1 17 . 1 1 57 57 ASN C C 75 171.893 171.893 173.021 -1.128 18167 15814 1 17 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.715 0.248 18167 15815 1 17 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.790 -0.421 18167 15816 1 17 . 1 1 57 57 ASN H H 75 8.891 8.891 8.698 0.193 18167 15817 1 17 . 1 1 58 58 LEU N N 76 116.438 116.438 124.363 -7.925 18167 15818 1 17 . 1 1 58 58 LEU HA H 76 5.341 5.341 4.959 0.382 18167 15819 1 17 . 1 1 58 58 LEU C C 76 174.630 174.630 174.484 0.146 18167 15820 1 17 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.571 -0.743 18167 15821 1 17 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.380 0.499 18167 15822 1 17 . 1 1 58 58 LEU H H 76 9.166 9.166 8.038 1.128 18167 15823 1 17 . 1 1 59 59 SER N N 77 114.543 114.543 121.034 -6.491 18167 15824 1 17 . 1 1 59 59 SER HA H 77 5.432 5.432 5.030 0.402 18167 15825 1 17 . 1 1 59 59 SER C C 77 172.602 172.602 172.422 0.180 18167 15826 1 17 . 1 1 59 59 SER CA C 77 56.593 56.593 57.481 -0.888 18167 15827 1 17 . 1 1 59 59 SER CB C 77 66.720 66.720 66.487 0.233 18167 15828 1 17 . 1 1 59 59 SER H H 77 8.352 8.352 8.758 -0.406 18167 15829 1 17 . 1 1 60 60 VAL N N 78 122.017 122.017 118.573 3.444 18167 15830 1 17 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.821 0.148 18167 15831 1 17 . 1 1 60 60 VAL C C 78 174.861 174.861 174.238 0.623 18167 15832 1 17 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.301 0.883 18167 15833 1 17 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.888 -0.576 18167 15834 1 17 . 1 1 60 60 VAL H H 78 8.306 8.306 8.519 -0.213 18167 15835 1 17 . 1 1 61 61 ILE N N 79 128.458 128.458 125.719 2.739 18167 15836 1 17 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.759 -0.038 18167 15837 1 17 . 1 1 61 61 ILE C C 79 175.639 175.639 174.624 1.015 18167 15838 1 17 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.227 0.017 18167 15839 1 17 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.633 0.653 18167 15840 1 17 . 1 1 61 61 ILE H H 79 9.193 9.193 7.871 1.322 18167 15841 1 17 . 1 1 62 62 ILE N N 80 129.957 129.957 127.269 2.688 18167 15842 1 17 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.189 -0.147 18167 15843 1 17 . 1 1 62 62 ILE C C 80 175.727 175.727 174.858 0.869 18167 15844 1 17 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.157 2.001 18167 15845 1 17 . 1 1 62 62 ILE CB C 80 39.777 39.777 39.353 0.424 18167 15846 1 17 . 1 1 62 62 ILE H H 80 9.140 9.140 9.027 0.113 18167 15847 1 17 . 1 1 63 63 SER N N 81 122.084 122.084 119.285 2.799 18167 15848 1 17 . 1 1 63 63 SER HA H 81 4.878 4.878 4.831 0.047 18167 15849 1 17 . 1 1 63 63 SER C C 81 172.933 172.933 172.220 0.713 18167 15850 1 17 . 1 1 63 63 SER CA C 81 56.689 56.689 56.081 0.608 18167 15851 1 17 . 1 1 63 63 SER CB C 81 65.862 65.862 65.851 0.011 18167 15852 1 17 . 1 1 63 63 SER H H 81 9.079 9.079 8.676 0.403 18167 15853 1 17 . 1 1 64 64 GLU N N 82 121.983 121.983 122.973 -0.990 18167 15854 1 17 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.757 -0.165 18167 15855 1 17 . 1 1 64 64 GLU C C 82 176.501 176.501 175.967 0.534 18167 15856 1 17 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.702 2.139 18167 15857 1 17 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.259 -0.749 18167 15858 1 17 . 1 1 64 64 GLU H H 82 8.664 8.664 8.464 0.200 18167 15859 1 17 . 1 1 65 65 ILE N N 83 121.194 121.194 120.265 0.929 18167 15860 1 17 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.645 -0.068 18167 15861 1 17 . 1 1 65 65 ILE C C 83 173.233 173.233 173.992 -0.759 18167 15862 1 17 . 1 1 65 65 ILE CA C 83 58.798 58.798 57.921 0.877 18167 15863 1 17 . 1 1 65 65 ILE CB C 83 39.488 39.488 38.268 1.220 18167 15864 1 17 . 1 1 65 65 ILE H H 83 8.271 8.271 7.872 0.399 18167 15865 1 17 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.524 -0.073 18167 15866 1 17 . 1 1 66 66 PRO C C 84 177.697 177.697 177.663 0.034 18167 15867 1 17 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.696 0.501 18167 15868 1 17 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.438 -0.373 18167 15869 1 17 . 1 1 67 67 SER N N 85 116.018 116.018 118.183 -2.165 18167 15870 1 17 . 1 1 67 67 SER HA H 85 4.149 4.149 4.172 -0.023 18167 15871 1 17 . 1 1 67 67 SER C C 85 174.387 174.387 175.342 -0.955 18167 15872 1 17 . 1 1 67 67 SER CA C 85 60.348 60.348 60.449 -0.101 18167 15873 1 17 . 1 1 67 67 SER CB C 85 63.402 63.402 63.112 0.290 18167 15874 1 17 . 1 1 67 67 SER H H 85 8.465 8.465 8.578 -0.113 18167 15875 1 17 . 1 1 68 68 ASP N N 86 118.568 118.568 119.188 -0.620 18167 15876 1 17 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.544 0.014 18167 15877 1 17 . 1 1 68 68 ASP C C 86 175.732 175.732 175.880 -0.148 18167 15878 1 17 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.181 -1.371 18167 15879 1 17 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.203 -0.985 18167 15880 1 17 . 1 1 68 68 ASP H H 86 8.531 8.531 8.354 0.177 18167 15881 1 17 . 1 1 69 69 LYS N N 87 119.225 119.225 117.231 1.994 18167 15882 1 17 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.746 -0.064 18167 15883 1 17 . 1 1 69 69 LYS C C 87 175.814 175.814 174.826 0.988 18167 15884 1 17 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.268 -0.407 18167 15885 1 17 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.416 -1.710 18167 15886 1 17 . 1 1 69 69 LYS H H 87 7.653 7.653 7.414 0.239 18167 15887 1 17 . 1 1 70 70 THR N N 88 113.175 113.175 113.500 -0.325 18167 15888 1 17 . 1 1 70 70 THR HA H 88 4.529 4.529 4.554 -0.025 18167 15889 1 17 . 1 1 70 70 THR C C 88 175.278 175.278 175.598 -0.320 18167 15890 1 17 . 1 1 70 70 THR CA C 88 60.699 60.699 59.851 0.848 18167 15891 1 17 . 1 1 70 70 THR CB C 88 70.710 70.710 71.317 -0.607 18167 15892 1 17 . 1 1 70 70 THR H H 88 8.608 8.608 7.858 0.750 18167 15893 1 17 . 1 1 71 71 LEU N N 89 121.978 121.978 122.559 -0.581 18167 15894 1 17 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.953 -0.016 18167 15895 1 17 . 1 1 71 71 LEU C C 89 177.698 177.698 177.821 -0.123 18167 15896 1 17 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.344 -0.580 18167 15897 1 17 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.834 0.660 18167 15898 1 17 . 1 1 71 71 LEU H H 89 7.998 7.998 8.887 -0.889 18167 15899 1 17 . 1 1 72 72 THR N N 90 106.680 106.680 108.668 -1.988 18167 15900 1 17 . 1 1 72 72 THR HA H 90 4.221 4.221 4.061 0.160 18167 15901 1 17 . 1 1 72 72 THR C C 90 176.248 176.248 175.209 1.039 18167 15902 1 17 . 1 1 72 72 THR CA C 90 63.648 63.648 64.902 -1.254 18167 15903 1 17 . 1 1 72 72 THR CB C 90 68.620 68.620 68.571 0.049 18167 15904 1 17 . 1 1 72 72 THR H H 90 7.798 7.798 7.923 -0.125 18167 15905 1 17 . 1 1 73 73 ASP N N 91 120.626 120.626 120.410 0.216 18167 15906 1 17 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.547 0.063 18167 15907 1 17 . 1 1 73 73 ASP C C 91 177.133 177.133 178.009 -0.876 18167 15908 1 17 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.840 -0.239 18167 15909 1 17 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.732 0.941 18167 15910 1 17 . 1 1 73 73 ASP H H 91 7.805 7.805 8.158 -0.353 18167 15911 1 17 . 1 1 74 74 LEU N N 92 120.238 120.238 119.831 0.407 18167 15912 1 17 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.006 0.215 18167 15913 1 17 . 1 1 74 74 LEU C C 92 176.907 176.907 176.471 0.436 18167 15914 1 17 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.626 -0.983 18167 15915 1 17 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.794 -1.470 18167 15916 1 17 . 1 1 74 74 LEU H H 92 8.182 8.182 8.158 0.024 18167 15917 1 17 . 1 1 75 75 GLY N N 93 105.772 105.772 100.735 5.037 18167 15918 1 17 . 1 1 75 75 GLY C C 93 173.853 173.853 171.809 2.044 18167 15919 1 17 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.894 -0.866 18167 15920 1 17 . 1 1 75 75 GLY H H 93 7.713 7.713 7.332 0.381 18167 15921 1 17 . 1 1 76 76 THR N N 94 111.354 111.354 109.543 1.811 18167 15922 1 17 . 1 1 76 76 THR HA H 94 4.426 4.426 4.788 -0.362 18167 15923 1 17 . 1 1 76 76 THR C C 94 174.396 174.396 176.010 -1.614 18167 15924 1 17 . 1 1 76 76 THR CA C 94 61.220 61.220 60.147 1.073 18167 15925 1 17 . 1 1 76 76 THR CB C 94 71.400 71.400 71.845 -0.445 18167 15926 1 17 . 1 1 76 76 THR H H 94 8.842 8.842 8.189 0.653 18167 15927 1 17 . 1 1 77 77 ALA N N 95 122.586 122.586 123.494 -0.908 18167 15928 1 17 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.944 -0.618 18167 15929 1 17 . 1 1 77 77 ALA C C 95 179.120 179.120 179.486 -0.366 18167 15930 1 17 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.674 -0.050 18167 15931 1 17 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.628 -0.649 18167 15932 1 17 . 1 1 77 77 ALA H H 95 8.861 8.861 8.927 -0.066 18167 15933 1 17 . 1 1 78 78 THR N N 96 110.298 110.298 114.614 -4.316 18167 15934 1 17 . 1 1 78 78 THR HA H 96 3.479 3.479 3.985 -0.506 18167 15935 1 17 . 1 1 78 78 THR C C 96 175.297 175.297 176.757 -1.460 18167 15936 1 17 . 1 1 78 78 THR CA C 96 66.314 66.314 66.799 -0.485 18167 15937 1 17 . 1 1 78 78 THR CB C 96 68.335 68.335 68.455 -0.120 18167 15938 1 17 . 1 1 78 78 THR H H 96 7.757 7.757 7.732 0.025 18167 15939 1 17 . 1 1 79 79 ASP N N 97 122.829 122.829 122.726 0.103 18167 15940 1 17 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.629 -0.217 18167 15941 1 17 . 1 1 79 79 ASP C C 97 179.693 179.693 178.769 0.924 18167 15942 1 17 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.279 0.715 18167 15943 1 17 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.792 -0.261 18167 15944 1 17 . 1 1 79 79 ASP H H 97 7.448 7.448 8.060 -0.612 18167 15945 1 17 . 1 1 80 80 VAL N N 98 121.175 121.175 119.484 1.691 18167 15946 1 17 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.721 -0.239 18167 15947 1 17 . 1 1 80 80 VAL C C 98 178.667 178.667 178.184 0.483 18167 15948 1 17 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.323 0.234 18167 15949 1 17 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.739 -0.231 18167 15950 1 17 . 1 1 80 80 VAL H H 98 8.390 8.390 8.767 -0.377 18167 15951 1 17 . 1 1 81 81 GLY N N 99 108.920 108.920 107.988 0.932 18167 15952 1 17 . 1 1 81 81 GLY C C 99 175.133 175.133 176.093 -0.960 18167 15953 1 17 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.384 1.666 18167 15954 1 17 . 1 1 81 81 GLY H H 99 8.630 8.630 7.893 0.737 18167 15955 1 17 . 1 1 82 82 TYR N N 100 121.598 121.598 122.174 -0.576 18167 15956 1 17 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.327 0.001 18167 15957 1 17 . 1 1 82 82 TYR C C 100 179.383 179.383 178.567 0.816 18167 15958 1 17 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.496 0.243 18167 15959 1 17 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.221 -1.122 18167 15960 1 17 . 1 1 82 82 TYR H H 100 8.880 8.880 7.914 0.966 18167 15961 1 17 . 1 1 83 83 ARG N N 101 121.436 121.436 118.868 2.568 18167 15962 1 17 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.022 0.065 18167 15963 1 17 . 1 1 83 83 ARG C C 101 178.906 178.906 178.732 0.174 18167 15964 1 17 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.798 0.749 18167 15965 1 17 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.648 -0.025 18167 15966 1 17 . 1 1 83 83 ARG H H 101 8.102 8.102 8.286 -0.184 18167 15967 1 17 . 1 1 84 84 PHE N N 102 121.581 121.581 122.524 -0.943 18167 15968 1 17 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.211 0.176 18167 15969 1 17 . 1 1 84 84 PHE C C 102 177.731 177.731 177.259 0.472 18167 15970 1 17 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.398 -1.393 18167 15971 1 17 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.958 -0.717 18167 15972 1 17 . 1 1 84 84 PHE H H 102 8.511 8.511 8.624 -0.113 18167 15973 1 17 . 1 1 85 85 MET N N 103 117.909 117.909 118.088 -0.179 18167 15974 1 17 . 1 1 85 85 MET HA H 103 3.850 3.850 3.787 0.063 18167 15975 1 17 . 1 1 85 85 MET C C 103 178.063 178.063 178.308 -0.245 18167 15976 1 17 . 1 1 85 85 MET CA C 103 57.352 57.352 57.590 -0.238 18167 15977 1 17 . 1 1 85 85 MET CB C 103 33.654 33.654 31.062 2.592 18167 15978 1 17 . 1 1 85 85 MET H H 103 8.350 8.350 7.772 0.578 18167 15979 1 17 . 1 1 86 86 LYS N N 104 118.874 118.874 120.087 -1.213 18167 15980 1 17 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.928 0.076 18167 15981 1 17 . 1 1 86 86 LYS C C 104 177.910 177.910 178.853 -0.943 18167 15982 1 17 . 1 1 86 86 LYS CA C 104 59.448 59.448 60.027 -0.579 18167 15983 1 17 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.298 -0.613 18167 15984 1 17 . 1 1 86 86 LYS H H 104 7.578 7.578 7.728 -0.150 18167 15985 1 17 . 1 1 87 87 THR N N 105 114.567 114.567 116.470 -1.903 18167 15986 1 17 . 1 1 87 87 THR HA H 105 3.949 3.949 4.114 -0.165 18167 15987 1 17 . 1 1 87 87 THR C C 105 176.912 176.912 176.715 0.197 18167 15988 1 17 . 1 1 87 87 THR CA C 105 66.108 66.108 66.861 -0.753 18167 15989 1 17 . 1 1 87 87 THR CB C 105 68.909 68.909 68.439 0.470 18167 15990 1 17 . 1 1 87 87 THR H H 105 7.667 7.667 7.926 -0.259 18167 15991 1 17 . 1 1 88 88 VAL N N 106 122.160 122.160 119.938 2.222 18167 15992 1 17 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.358 0.133 18167 15993 1 17 . 1 1 88 88 VAL C C 106 178.950 178.950 177.793 1.157 18167 15994 1 17 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.804 0.020 18167 15995 1 17 . 1 1 88 88 VAL CB C 106 31.509 31.509 30.991 0.518 18167 15996 1 17 . 1 1 88 88 VAL H H 106 7.600 7.600 7.965 -0.365 18167 15997 1 17 . 1 1 89 89 ASN N N 107 120.741 120.741 119.028 1.713 18167 15998 1 17 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.332 0.158 18167 15999 1 17 . 1 1 89 89 ASN C C 107 178.483 178.483 177.317 1.166 18167 16000 1 17 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.675 0.268 18167 16001 1 17 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.664 0.226 18167 16002 1 17 . 1 1 89 89 ASN H H 107 8.501 8.501 8.336 0.165 18167 16003 1 17 . 1 1 90 90 ASP N N 108 121.211 121.211 119.745 1.466 18167 16004 1 17 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.312 0.168 18167 16005 1 17 . 1 1 90 90 ASP C C 108 177.598 177.598 177.191 0.407 18167 16006 1 17 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.870 -0.503 18167 16007 1 17 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.078 0.164 18167 16008 1 17 . 1 1 90 90 ASP H H 108 8.824 8.824 8.534 0.290 18167 16009 1 17 . 1 1 91 91 ALA N N 109 121.181 121.181 119.903 1.278 18167 16010 1 17 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.121 0.271 18167 16011 1 17 . 1 1 91 91 ALA C C 109 177.936 177.936 178.320 -0.384 18167 16012 1 17 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.802 -1.110 18167 16013 1 17 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.292 -0.403 18167 16014 1 17 . 1 1 91 91 ALA H H 109 7.507 7.507 7.444 0.063 18167 16015 1 17 . 1 1 92 92 SER N N 110 113.785 113.785 113.056 0.729 18167 16016 1 17 . 1 1 92 92 SER HA H 110 4.537 4.537 4.610 -0.073 18167 16017 1 17 . 1 1 92 92 SER C C 110 174.252 174.252 175.137 -0.885 18167 16018 1 17 . 1 1 92 92 SER CA C 110 58.565 58.565 57.413 1.152 18167 16019 1 17 . 1 1 92 92 SER CB C 110 64.795 64.795 64.121 0.674 18167 16020 1 17 . 1 1 92 92 SER H H 110 7.611 7.611 7.721 -0.110 18167 16021 1 17 . 1 1 93 93 GLN N N 111 119.994 119.994 122.846 -2.852 18167 16022 1 17 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.117 0.306 18167 16023 1 17 . 1 1 93 93 GLN C C 111 176.441 176.441 177.522 -1.081 18167 16024 1 17 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.810 -3.018 18167 16025 1 17 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.601 0.242 18167 16026 1 17 . 1 1 93 93 GLN H H 111 8.414 8.414 8.347 0.067 18167 16027 1 17 . 1 1 94 94 GLY N N 112 107.948 107.948 107.192 0.756 18167 16028 1 17 . 1 1 94 94 GLY C C 112 174.406 174.406 175.249 -0.843 18167 16029 1 17 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.824 -0.881 18167 16030 1 17 . 1 1 94 94 GLY H H 112 8.467 8.467 8.568 -0.101 18167 16031 1 17 . 1 1 95 95 ASP N N 113 119.500 119.500 119.570 -0.070 18167 16032 1 17 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.774 -0.218 18167 16033 1 17 . 1 1 95 95 ASP C C 113 175.438 175.438 175.975 -0.537 18167 16034 1 17 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.531 0.149 18167 16035 1 17 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.581 -2.387 18167 16036 1 17 . 1 1 95 95 ASP H H 113 8.423 8.423 7.862 0.561 18167 16037 1 17 . 1 1 96 96 ARG N N 114 118.992 118.992 120.370 -1.378 18167 16038 1 17 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.295 0.766 18167 16039 1 17 . 1 1 96 96 ARG C C 114 175.699 175.699 174.890 0.809 18167 16040 1 17 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.555 -1.512 18167 16041 1 17 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.062 1.578 18167 16042 1 17 . 1 1 96 96 ARG H H 114 7.507 7.507 7.721 -0.214 18167 16043 1 17 . 1 1 97 97 GLN N N 115 121.149 121.149 120.725 0.424 18167 16044 1 17 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.635 0.034 18167 16045 1 17 . 1 1 97 97 GLN C C 115 173.696 173.696 173.911 -0.215 18167 16046 1 17 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.437 0.120 18167 16047 1 17 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.490 -1.417 18167 16048 1 17 . 1 1 97 97 GLN H H 115 8.814 8.814 8.078 0.736 18167 16049 1 17 . 1 1 98 98 ALA N N 116 129.789 129.789 126.967 2.822 18167 16050 1 17 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.199 0.117 18167 16051 1 17 . 1 1 98 98 ALA C C 116 176.503 176.503 176.385 0.118 18167 16052 1 17 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.307 0.507 18167 16053 1 17 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.444 0.598 18167 16054 1 17 . 1 1 98 98 ALA H H 116 9.836 9.836 8.549 1.287 18167 16055 1 17 . 1 1 99 99 GLU N N 117 122.780 122.780 123.674 -0.894 18167 16056 1 17 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.604 -0.001 18167 16057 1 17 . 1 1 99 99 GLU C C 117 174.361 174.361 175.091 -0.730 18167 16058 1 17 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.619 -0.299 18167 16059 1 17 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.004 0.308 18167 16060 1 17 . 1 1 99 99 GLU H H 117 9.252 9.252 8.339 0.913 18167 16061 1 17 . 1 1 100 100 LEU N N 118 127.043 127.043 128.922 -1.879 18167 16062 1 17 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.399 -0.092 18167 16063 1 17 . 1 1 100 100 LEU C C 118 176.338 176.338 176.554 -0.216 18167 16064 1 17 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.185 0.337 18167 16065 1 17 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.988 0.653 18167 16066 1 17 . 1 1 100 100 LEU H H 118 8.765 8.765 8.811 -0.046 18167 16067 1 17 . 1 1 101 101 ILE N N 119 128.101 128.101 127.979 0.122 18167 16068 1 17 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.859 0.237 18167 16069 1 17 . 1 1 101 101 ILE C C 119 175.634 175.634 176.641 -1.007 18167 16070 1 17 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.271 -0.868 18167 16071 1 17 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.557 0.501 18167 16072 1 17 . 1 1 101 101 ILE H H 119 9.244 9.244 8.683 0.561 18167 16073 1 17 . 1 1 102 102 ASN N N 120 114.715 114.715 114.249 0.466 18167 16074 1 17 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.737 0.218 18167 16075 1 17 . 1 1 102 102 ASN C C 120 172.326 172.326 172.660 -0.334 18167 16076 1 17 . 1 1 102 102 ASN CA C 120 53.373 53.373 53.314 0.059 18167 16077 1 17 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.360 1.527 18167 16078 1 17 . 1 1 102 102 ASN H H 120 7.989 7.989 7.853 0.136 18167 16079 1 17 . 1 1 103 103 ALA N N 121 125.011 125.011 122.331 2.680 18167 16080 1 17 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.271 0.186 18167 16081 1 17 . 1 1 103 103 ALA C C 121 175.068 175.068 175.618 -0.550 18167 16082 1 17 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.389 -0.030 18167 16083 1 17 . 1 1 103 103 ALA CB C 121 22.409 22.409 22.090 0.319 18167 16084 1 17 . 1 1 103 103 ALA H H 121 8.182 8.182 8.394 -0.212 18167 16085 1 17 . 1 1 104 104 GLU N N 122 121.148 121.148 119.748 1.400 18167 16086 1 17 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.539 0.156 18167 16087 1 17 . 1 1 104 104 GLU C C 122 173.666 173.666 174.110 -0.444 18167 16088 1 17 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.777 0.316 18167 16089 1 17 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.582 -0.072 18167 16090 1 17 . 1 1 104 104 GLU H H 122 8.817 8.817 8.638 0.179 18167 16091 1 17 . 1 1 105 105 ALA N N 123 124.441 124.441 123.155 1.286 18167 16092 1 17 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.446 0.081 18167 16093 1 17 . 1 1 105 105 ALA C C 123 176.479 176.479 176.532 -0.053 18167 16094 1 17 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.770 0.360 18167 16095 1 17 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.834 1.017 18167 16096 1 17 . 1 1 105 105 ALA H H 123 8.860 8.860 8.373 0.487 18167 16097 1 17 . 1 1 106 106 ARG N N 124 120.892 120.892 120.537 0.355 18167 16098 1 17 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.731 0.092 18167 16099 1 17 . 1 1 106 106 ARG C C 124 172.820 172.820 174.656 -1.836 18167 16100 1 17 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.877 -0.105 18167 16101 1 17 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.257 -0.987 18167 16102 1 17 . 1 1 106 106 ARG H H 124 9.209 9.209 8.958 0.251 18167 16103 1 17 . 1 1 107 107 ASP N N 125 122.706 122.706 123.039 -0.333 18167 16104 1 17 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.466 -0.227 18167 16105 1 17 . 1 1 107 107 ASP C C 125 176.097 176.097 175.682 0.415 18167 16106 1 17 . 1 1 107 107 ASP CA C 125 52.944 52.944 52.561 0.383 18167 16107 1 17 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.383 1.756 18167 16108 1 17 . 1 1 107 107 ASP H H 125 8.633 8.633 8.635 -0.002 18167 16109 1 17 . 1 1 108 108 GLU N N 126 126.120 126.120 122.883 3.237 18167 16110 1 17 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.638 0.067 18167 16111 1 17 . 1 1 108 108 GLU C C 126 175.768 175.768 176.354 -0.586 18167 16112 1 17 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.408 -0.391 18167 16113 1 17 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.749 -3.325 18167 16114 1 17 . 1 1 108 108 GLU H H 126 9.152 9.152 9.206 -0.054 18167 16115 1 17 . 1 1 109 109 ASP N N 127 126.277 126.277 123.530 2.747 18167 16116 1 17 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.385 -0.031 18167 16117 1 17 . 1 1 109 109 ASP C C 127 175.414 175.414 176.742 -1.328 18167 16118 1 17 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.692 0.698 18167 16119 1 17 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.390 -0.148 18167 16120 1 17 . 1 1 109 109 ASP H H 127 9.067 9.067 9.193 -0.126 18167 16121 1 17 . 1 1 110 110 GLY N N 128 106.859 106.859 103.972 2.887 18167 16122 1 17 . 1 1 110 110 GLY C C 128 173.761 173.761 174.106 -0.345 18167 16123 1 17 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.271 -0.029 18167 16124 1 17 . 1 1 110 110 GLY H H 128 9.008 9.008 8.326 0.682 18167 16125 1 17 . 1 1 111 111 GLN N N 129 123.033 123.033 120.300 2.733 18167 16126 1 17 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.523 -0.140 18167 16127 1 17 . 1 1 111 111 GLN C C 129 173.901 173.901 174.266 -0.365 18167 16128 1 17 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.031 -0.095 18167 16129 1 17 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.800 -1.617 18167 16130 1 17 . 1 1 111 111 GLN H H 129 7.825 7.825 8.280 -0.455 18167 16131 1 17 . 1 1 112 112 VAL N N 130 128.263 128.263 126.041 2.222 18167 16132 1 17 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.785 0.087 18167 16133 1 17 . 1 1 112 112 VAL C C 130 175.591 175.591 174.597 0.994 18167 16134 1 17 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.223 0.880 18167 16135 1 17 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.358 -0.985 18167 16136 1 17 . 1 1 112 112 VAL H H 130 8.330 8.330 8.348 -0.018 18167 16137 1 17 . 1 1 113 113 TYR N N 131 126.702 126.702 124.665 2.037 18167 16138 1 17 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.850 0.200 18167 16139 1 17 . 1 1 113 113 TYR C C 131 175.477 175.477 174.882 0.595 18167 16140 1 17 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.187 0.236 18167 16141 1 17 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.692 0.797 18167 16142 1 17 . 1 1 113 113 TYR H H 131 9.136 9.136 9.145 -0.009 18167 16143 1 17 . 1 1 114 114 TYR N N 132 121.626 121.626 123.521 -1.895 18167 16144 1 17 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.126 0.704 18167 16145 1 17 . 1 1 114 114 TYR C C 132 175.368 175.368 175.673 -0.305 18167 16146 1 17 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.895 -1.827 18167 16147 1 17 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.267 -0.950 18167 16148 1 17 . 1 1 114 114 TYR H H 132 9.577 9.577 9.638 -0.061 18167 16149 1 17 . 1 1 115 115 THR N N 133 120.018 120.018 121.742 -1.724 18167 16150 1 17 . 1 1 115 115 THR HA H 133 5.486 5.486 4.578 0.908 18167 16151 1 17 . 1 1 115 115 THR C C 133 174.327 174.327 172.839 1.488 18167 16152 1 17 . 1 1 115 115 THR CA C 133 61.648 61.648 62.075 -0.427 18167 16153 1 17 . 1 1 115 115 THR CB C 133 69.622 69.622 70.004 -0.382 18167 16154 1 17 . 1 1 115 115 THR H H 133 9.351 9.351 9.365 -0.014 18167 16155 1 17 . 1 1 116 116 LEU N N 134 127.249 127.249 128.341 -1.092 18167 16156 1 17 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.755 0.540 18167 16157 1 17 . 1 1 116 116 LEU C C 134 174.347 174.347 174.426 -0.079 18167 16158 1 17 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.280 -1.652 18167 16159 1 17 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.893 -0.358 18167 16160 1 17 . 1 1 116 116 LEU H H 134 10.010 10.010 9.482 0.528 18167 16161 1 17 . 1 1 117 117 GLU N N 135 124.969 124.969 125.323 -0.354 18167 16162 1 17 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.777 0.801 18167 16163 1 17 . 1 1 117 117 GLU C C 135 175.635 175.635 174.749 0.886 18167 16164 1 17 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.865 -0.726 18167 16165 1 17 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.678 -0.515 18167 16166 1 17 . 1 1 117 117 GLU H H 135 9.109 9.109 8.928 0.181 18167 16167 1 17 . 1 1 118 118 TYR N N 136 125.868 125.868 122.779 3.089 18167 16168 1 17 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.634 -0.359 18167 16169 1 17 . 1 1 118 118 TYR C C 136 170.317 170.317 172.678 -2.361 18167 16170 1 17 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.952 0.059 18167 16171 1 17 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.134 0.382 18167 16172 1 17 . 1 1 118 118 TYR H H 136 8.973 8.973 8.518 0.455 18167 16173 1 17 . 1 1 119 119 ARG N N 137 115.256 115.256 116.812 -1.556 18167 16174 1 17 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.408 0.669 18167 16175 1 17 . 1 1 119 119 ARG C C 137 173.643 173.643 174.076 -0.433 18167 16176 1 17 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.512 -1.389 18167 16177 1 17 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.219 -1.034 18167 16178 1 17 . 1 1 119 119 ARG H H 137 8.920 8.920 8.517 0.403 18167 16179 1 17 . 1 1 120 120 VAL N N 138 119.767 119.767 120.893 -1.126 18167 16180 1 17 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.500 0.286 18167 16181 1 17 . 1 1 120 120 VAL C C 138 174.355 174.355 174.704 -0.349 18167 16182 1 17 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.520 0.263 18167 16183 1 17 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.516 0.646 18167 16184 1 17 . 1 1 120 120 VAL H H 138 8.430 8.430 8.433 -0.003 18167 16185 1 17 . 1 1 121 121 LEU N N 139 129.915 129.915 125.583 4.332 18167 16186 1 17 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.097 -0.012 18167 16187 1 17 . 1 1 121 121 LEU C C 139 176.376 176.376 174.636 1.740 18167 16188 1 17 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.193 0.466 18167 16189 1 17 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.270 -1.148 18167 16190 1 17 . 1 1 121 121 LEU H H 139 9.333 9.333 8.448 0.885 18167 16191 1 17 . 1 1 122 122 VAL N N 140 120.956 120.956 121.955 -0.999 18167 16192 1 17 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.491 -0.116 18167 16193 1 17 . 1 1 122 122 VAL C C 140 177.264 177.264 177.252 0.012 18167 16194 1 17 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.505 0.963 18167 16195 1 17 . 1 1 122 122 VAL CB C 140 32.874 32.874 32.623 0.251 18167 16196 1 17 . 1 1 122 122 VAL H H 140 8.655 8.655 7.985 0.670 18167 16197 1 17 . 1 1 123 123 GLY N N 141 119.059 119.059 118.620 0.439 18167 16198 1 17 . 1 1 123 123 GLY C C 141 174.482 174.482 174.009 0.473 18167 16199 1 17 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.709 0.459 18167 16200 1 17 . 1 1 123 123 GLY H H 141 8.940 8.940 8.662 0.278 18167 16201 1 17 . 1 1 124 124 ASP N N 142 124.652 124.652 123.232 1.420 18167 16202 1 17 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.598 0.036 18167 16203 1 17 . 1 1 124 124 ASP C C 142 175.588 175.588 175.088 0.500 18167 16204 1 17 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.192 1.198 18167 16205 1 17 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.755 0.509 18167 16206 1 17 . 1 1 124 124 ASP H H 142 8.722 8.722 8.439 0.283 18167 16207 1 17 . 1 1 125 125 ASN N N 143 118.203 118.203 118.762 -0.559 18167 16208 1 17 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.867 0.060 18167 16209 1 17 . 1 1 125 125 ASN C C 143 174.095 174.095 173.381 0.714 18167 16210 1 17 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.848 -0.442 18167 16211 1 17 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.880 -0.818 18167 16212 1 17 . 1 1 125 125 ASN H H 143 8.023 8.023 7.962 0.061 18167 16213 1 17 . 1 1 126 126 VAL N N 144 123.424 123.424 121.676 1.748 18167 16214 1 17 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.998 0.082 18167 16215 1 17 . 1 1 126 126 VAL C C 144 175.767 175.767 175.290 0.477 18167 16216 1 17 . 1 1 126 126 VAL CA C 144 63.309 63.309 61.729 1.580 18167 16217 1 17 . 1 1 126 126 VAL H H 144 8.857 8.857 8.483 0.374 18167 16218 1 17 . 1 1 127 127 GLU N N 145 130.709 130.709 129.366 1.343 18167 16219 1 17 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.206 0.199 18167 16220 1 17 . 1 1 127 127 GLU C C 145 176.522 176.522 176.364 0.158 18167 16221 1 17 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.535 -0.571 18167 16222 1 17 . 1 1 127 127 GLU CB C 145 32.355 32.355 30.831 1.524 18167 16223 1 17 . 1 1 127 127 GLU H H 145 9.487 9.487 8.999 0.488 18167 16224 1 17 . 1 1 128 128 ARG N N 146 113.222 113.222 113.458 -0.236 18167 16225 1 17 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.597 0.464 18167 16226 1 17 . 1 1 128 128 ARG C C 146 172.055 172.055 173.650 -1.595 18167 16227 1 17 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.357 -0.976 18167 16228 1 17 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.499 1.492 18167 16229 1 17 . 1 1 128 128 ARG H H 146 7.657 7.657 7.626 0.031 18167 16230 1 17 . 1 1 129 129 HIS N N 147 125.158 125.158 117.297 7.861 18167 16231 1 17 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.459 0.173 18167 16232 1 17 . 1 1 129 129 HIS C C 147 172.407 172.407 173.131 -0.724 18167 16233 1 17 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.830 -1.633 18167 16234 1 17 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.104 0.832 18167 16235 1 17 . 1 1 129 129 HIS H H 147 9.295 9.295 8.522 0.773 18167 16236 1 17 . 1 1 130 130 ASP N N 148 122.383 122.383 121.020 1.363 18167 16237 1 17 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.910 1.216 18167 16238 1 17 . 1 1 130 130 ASP C C 148 174.350 174.350 173.516 0.834 18167 16239 1 17 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.822 -0.875 18167 16240 1 17 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.360 -1.392 18167 16241 1 17 . 1 1 130 130 ASP H H 148 8.879 8.879 8.229 0.650 18167 16242 1 17 . 1 1 131 131 LEU N N 149 121.444 121.444 124.038 -2.594 18167 16243 1 17 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.826 0.463 18167 16244 1 17 . 1 1 131 131 LEU C C 149 174.289 174.289 174.180 0.109 18167 16245 1 17 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.263 0.596 18167 16246 1 17 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.022 1.846 18167 16247 1 17 . 1 1 131 131 LEU H H 149 8.916 8.916 8.119 0.797 18167 16248 1 17 . 1 1 132 132 ALA N N 150 128.498 128.498 128.035 0.463 18167 16249 1 17 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.607 0.423 18167 16250 1 17 . 1 1 132 132 ALA C C 150 176.044 176.044 175.262 0.782 18167 16251 1 17 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.286 -0.885 18167 16252 1 17 . 1 1 132 132 ALA CB C 150 21.823 21.823 23.148 -1.325 18167 16253 1 17 . 1 1 132 132 ALA H H 150 9.920 9.920 9.394 0.526 18167 16254 1 17 . 1 1 133 133 SER N N 151 116.937 116.937 116.151 0.786 18167 16255 1 17 . 1 1 133 133 SER HA H 151 5.812 5.812 5.477 0.335 18167 16256 1 17 . 1 1 133 133 SER C C 151 173.367 173.367 172.855 0.512 18167 16257 1 17 . 1 1 133 133 SER CA C 151 56.394 56.394 56.040 0.354 18167 16258 1 17 . 1 1 133 133 SER CB C 151 65.448 65.448 65.758 -0.310 18167 16259 1 17 . 1 1 133 133 SER H H 151 9.360 9.360 8.853 0.507 18167 16260 1 17 . 1 1 134 134 VAL N N 152 126.011 126.011 127.543 -1.532 18167 16261 1 17 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.731 0.678 18167 16262 1 17 . 1 1 134 134 VAL C C 152 175.735 175.735 174.959 0.776 18167 16263 1 17 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.268 -1.105 18167 16264 1 17 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.548 1.372 18167 16265 1 17 . 1 1 134 134 VAL H H 152 9.558 9.558 9.250 0.308 18167 16266 1 17 . 1 1 135 135 THR N N 153 118.998 118.998 122.234 -3.236 18167 16267 1 17 . 1 1 135 135 THR HA H 153 4.723 4.723 4.815 -0.092 18167 16268 1 17 . 1 1 135 135 THR C C 153 171.746 171.746 173.074 -1.328 18167 16269 1 17 . 1 1 135 135 THR CA C 153 61.221 61.221 61.097 0.124 18167 16270 1 17 . 1 1 135 135 THR CB C 153 69.300 69.300 72.391 -3.091 18167 16271 1 17 . 1 1 135 135 THR H H 153 8.960 8.960 9.157 -0.197 18167 16272 1 17 . 1 1 136 136 THR N N 154 109.883 109.883 115.100 -5.217 18167 16273 1 17 . 1 1 136 136 THR HA H 154 5.636 5.636 5.312 0.324 18167 16274 1 17 . 1 1 136 136 THR C C 154 173.904 173.904 173.408 0.496 18167 16275 1 17 . 1 1 136 136 THR CA C 154 58.391 58.391 59.859 -1.468 18167 16276 1 17 . 1 1 136 136 THR CB C 154 71.387 71.387 70.717 0.670 18167 16277 1 17 . 1 1 136 136 THR H H 154 7.940 7.940 8.538 -0.598 18167 16278 1 17 . 1 1 137 137 ASN N N 155 115.138 115.138 120.159 -5.021 18167 16279 1 17 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.706 0.200 18167 16280 1 17 . 1 1 137 137 ASN C C 155 174.994 174.994 174.871 0.123 18167 16281 1 17 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.245 1.100 18167 16282 1 17 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.904 0.903 18167 16283 1 17 . 1 1 137 137 ASN H H 155 8.938 8.938 8.772 0.166 18167 16284 1 17 . 1 1 138 138 ARG N N 156 125.040 125.040 126.680 -1.640 18167 16285 1 17 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.016 -0.059 18167 16286 1 17 . 1 1 138 138 ARG C C 156 175.870 175.870 175.729 0.141 18167 16287 1 17 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.348 -0.224 18167 16288 1 17 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.779 -1.120 18167 16289 1 17 . 1 1 138 138 ARG H H 156 9.364 9.364 9.013 0.351 18167 16290 1 17 . 1 1 139 139 GLY N N 157 104.408 104.408 102.710 1.698 18167 16291 1 17 . 1 1 139 139 GLY C C 157 173.563 173.563 173.886 -0.323 18167 16292 1 17 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.236 0.585 18167 16293 1 17 . 1 1 139 139 GLY H H 157 8.862 8.862 8.437 0.425 18167 16294 1 17 . 1 1 140 140 LYS N N 158 117.999 117.999 120.074 -2.075 18167 16295 1 17 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.762 0.198 18167 16296 1 17 . 1 1 140 140 LYS C C 158 174.527 174.527 175.032 -0.505 18167 16297 1 17 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.104 -0.382 18167 16298 1 17 . 1 1 140 140 LYS CB C 158 34.864 34.864 34.098 0.766 18167 16299 1 17 . 1 1 140 140 LYS H H 158 7.718 7.718 7.720 -0.002 18167 16300 1 17 . 1 1 141 141 LEU N N 159 124.332 124.332 126.735 -2.403 18167 16301 1 17 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.698 -0.068 18167 16302 1 17 . 1 1 141 141 LEU C C 159 175.337 175.337 175.476 -0.139 18167 16303 1 17 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.214 0.024 18167 16304 1 17 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.247 0.625 18167 16305 1 17 . 1 1 141 141 LEU H H 159 9.006 9.006 9.123 -0.117 18167 16306 1 17 . 1 1 142 142 ILE N N 160 128.619 128.619 127.665 0.954 18167 16307 1 17 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.424 0.305 18167 16308 1 17 . 1 1 142 142 ILE C C 160 173.414 173.414 174.832 -1.418 18167 16309 1 17 . 1 1 142 142 ILE CA C 160 61.233 61.233 58.467 2.766 18167 16310 1 17 . 1 1 142 142 ILE CB C 160 40.184 40.184 37.619 2.565 18167 16311 1 17 . 1 1 142 142 ILE H H 160 9.129 9.129 9.416 -0.287 18167 16312 1 17 . 1 1 143 143 THR N N 161 122.266 122.266 124.172 -1.906 18167 16313 1 17 . 1 1 143 143 THR HA H 161 4.797 4.797 5.134 -0.337 18167 16314 1 17 . 1 1 143 143 THR C C 161 171.903 171.903 173.469 -1.566 18167 16315 1 17 . 1 1 143 143 THR CA C 161 61.666 61.666 61.346 0.320 18167 16316 1 17 . 1 1 143 143 THR CB C 161 70.025 70.025 70.939 -0.913 18167 16317 1 17 . 1 1 143 143 THR H H 161 8.818 8.818 8.326 0.492 18167 16318 1 17 . 1 1 144 144 PHE N N 162 130.742 130.742 127.591 3.151 18167 16319 1 17 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.676 0.114 18167 16320 1 17 . 1 1 144 144 PHE C C 162 173.404 173.404 173.315 0.089 18167 16321 1 17 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.848 -1.628 18167 16322 1 17 . 1 1 144 144 PHE CB C 162 39.740 39.740 42.082 -2.342 18167 16323 1 17 . 1 1 144 144 PHE H H 162 9.219 9.219 9.041 0.178 18167 16324 1 17 . 1 1 145 145 ASP N N 163 127.154 127.154 127.386 -0.232 18167 16325 1 17 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.349 -0.393 18167 16326 1 17 . 1 1 145 145 ASP C C 163 174.933 174.933 174.288 0.645 18167 16327 1 17 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.529 0.881 18167 16328 1 17 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.941 -0.617 18167 16329 1 17 . 1 1 145 145 ASP H H 163 8.862 8.862 8.331 0.531 18167 16330 1 17 . 1 1 146 146 LEU N N 164 131.658 131.658 126.706 4.952 18167 16331 1 17 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.837 -0.242 18167 16332 1 17 . 1 1 146 146 LEU C C 164 174.511 174.511 175.917 -1.406 18167 16333 1 17 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.209 -0.238 18167 16334 1 17 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.184 -2.087 18167 16335 1 17 . 1 1 146 146 LEU H H 164 8.938 8.938 8.874 0.064 18167 16336 1 17 . 1 1 147 147 SER N N 165 114.966 114.966 118.307 -3.341 18167 16337 1 17 . 1 1 147 147 SER HA H 165 5.186 5.186 5.168 0.018 18167 16338 1 17 . 1 1 147 147 SER C C 165 173.417 173.417 173.462 -0.045 18167 16339 1 17 . 1 1 147 147 SER CA C 165 56.600 56.600 58.195 -1.595 18167 16340 1 17 . 1 1 147 147 SER CB C 165 67.205 67.205 66.325 0.880 18167 16341 1 17 . 1 1 147 147 SER H H 165 8.995 8.995 8.759 0.236 18167 16342 1 17 . 1 1 148 148 THR N N 166 118.620 118.620 119.709 -1.089 18167 16343 1 17 . 1 1 148 148 THR HA H 166 5.144 5.144 4.749 0.395 18167 16344 1 17 . 1 1 148 148 THR C C 166 173.151 173.151 174.008 -0.857 18167 16345 1 17 . 1 1 148 148 THR CA C 166 60.362 60.362 61.670 -1.308 18167 16346 1 17 . 1 1 148 148 THR CB C 166 69.214 69.214 72.609 -3.395 18167 16347 1 17 . 1 1 148 148 THR H H 166 8.614 8.614 8.186 0.428 18167 16348 1 17 . 1 1 149 149 ALA N N 167 124.595 124.595 125.892 -1.297 18167 16349 1 17 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.347 0.258 18167 16350 1 17 . 1 1 149 149 ALA C C 167 179.460 179.460 178.263 1.197 18167 16351 1 17 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.543 -0.987 18167 16352 1 17 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.473 0.785 18167 16353 1 17 . 1 1 149 149 ALA H H 167 8.107 8.107 8.655 -0.548 18167 16354 1 17 . 1 1 150 150 GLU N N 168 123.906 123.906 121.588 2.318 18167 16355 1 17 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.051 0.447 18167 16356 1 17 . 1 1 150 150 GLU C C 168 178.587 178.587 177.978 0.609 18167 16357 1 17 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.291 -0.345 18167 16358 1 17 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.178 -0.471 18167 16359 1 17 . 1 1 150 150 GLU H H 168 8.471 8.471 9.146 -0.675 18167 16360 1 17 . 1 1 151 151 ASP N N 169 114.005 114.005 118.928 -4.923 18167 16361 1 17 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.452 0.031 18167 16362 1 17 . 1 1 151 151 ASP C C 169 177.260 177.260 177.456 -0.196 18167 16363 1 17 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.237 -0.319 18167 16364 1 17 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.005 0.080 18167 16365 1 17 . 1 1 151 151 ASP H H 169 8.575 8.575 8.806 -0.231 18167 16366 1 17 . 1 1 152 152 ARG N N 170 118.283 118.283 117.039 1.244 18167 16367 1 17 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.716 -0.385 18167 16368 1 17 . 1 1 152 152 ARG C C 170 177.094 177.094 176.950 0.144 18167 16369 1 17 . 1 1 152 152 ARG CA C 170 55.836 55.836 54.433 1.403 18167 16370 1 17 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.649 1.335 18167 16371 1 17 . 1 1 152 152 ARG H H 170 7.663 7.663 7.590 0.073 18167 16372 1 17 . 1 1 153 153 TRP N N 171 122.336 122.336 123.811 -1.475 18167 16373 1 17 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.508 -0.598 18167 16374 1 17 . 1 1 153 153 TRP C C 171 175.820 175.820 176.290 -0.470 18167 16375 1 17 . 1 1 153 153 TRP CA C 171 60.876 60.876 62.355 -1.479 18167 16376 1 17 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.220 0.188 18167 16377 1 17 . 1 1 153 153 TRP H H 171 7.689 7.689 7.960 -0.271 18167 16378 1 17 . 1 1 154 154 ASP N N 172 114.179 114.179 117.021 -2.842 18167 16379 1 17 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.480 -0.463 18167 16380 1 17 . 1 1 154 154 ASP C C 172 178.442 178.442 179.212 -0.770 18167 16381 1 17 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.334 0.169 18167 16382 1 17 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.916 -0.751 18167 16383 1 17 . 1 1 154 154 ASP H H 172 8.690 8.690 8.502 0.188 18167 16384 1 17 . 1 1 155 155 THR N N 173 114.661 114.661 116.181 -1.520 18167 16385 1 17 . 1 1 155 155 THR HA H 173 3.990 3.990 4.097 -0.107 18167 16386 1 17 . 1 1 155 155 THR C C 173 175.985 175.985 175.799 0.186 18167 16387 1 17 . 1 1 155 155 THR CA C 173 65.585 65.585 65.583 0.002 18167 16388 1 17 . 1 1 155 155 THR CB C 173 69.076 69.076 69.127 -0.051 18167 16389 1 17 . 1 1 155 155 THR H H 173 7.635 7.635 7.549 0.086 18167 16390 1 17 . 1 1 156 156 VAL N N 174 113.687 113.687 113.935 -0.248 18167 16391 1 17 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.311 -0.034 18167 16392 1 17 . 1 1 156 156 VAL C C 174 176.185 176.185 175.240 0.945 18167 16393 1 17 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.309 1.135 18167 16394 1 17 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.891 2.262 18167 16395 1 17 . 1 1 156 156 VAL H H 174 7.447 7.447 7.868 -0.421 18167 16396 1 17 . 1 1 157 157 LYS N N 175 123.084 123.084 120.310 2.774 18167 16397 1 17 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.692 -0.848 18167 16398 1 17 . 1 1 157 157 LYS C C 175 177.321 177.321 178.038 -0.717 18167 16399 1 17 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.316 0.904 18167 16400 1 17 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.640 -1.445 18167 16401 1 17 . 1 1 157 157 LYS H H 175 7.548 7.548 7.214 0.334 18167 16402 1 17 . 1 1 158 158 SER N N 176 114.046 114.046 114.841 -0.795 18167 16403 1 17 . 1 1 158 158 SER HA H 176 3.820 3.820 4.495 -0.674 18167 16404 1 17 . 1 1 158 158 SER C C 176 176.927 176.927 176.263 0.664 18167 16405 1 17 . 1 1 158 158 SER CA C 176 61.600 61.600 60.034 1.566 18167 16406 1 17 . 1 1 158 158 SER CB C 176 62.048 62.048 62.205 -0.156 18167 16407 1 17 . 1 1 158 158 SER H H 176 8.161 8.161 8.073 0.088 18167 16408 1 17 . 1 1 159 159 LEU N N 177 126.125 126.125 122.774 3.351 18167 16409 1 17 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.860 0.313 18167 16410 1 17 . 1 1 159 159 LEU C C 177 178.403 178.403 177.939 0.464 18167 16411 1 17 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.855 -0.153 18167 16412 1 17 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.169 -0.092 18167 16413 1 17 . 1 1 159 159 LEU H H 177 7.587 7.587 7.251 0.336 18167 16414 1 17 . 1 1 160 160 PHE N N 178 119.582 119.582 117.628 1.954 18167 16415 1 17 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.058 0.224 18167 16416 1 17 . 1 1 160 160 PHE C C 178 177.277 177.277 177.763 -0.486 18167 16417 1 17 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.492 -2.782 18167 16418 1 17 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.584 -2.044 18167 16419 1 17 . 1 1 160 160 PHE H H 178 9.067 9.067 6.767 2.300 18167 16420 1 17 . 1 1 161 161 ASP N N 179 120.599 120.599 118.168 2.431 18167 16421 1 17 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.451 -0.111 18167 16422 1 17 . 1 1 161 161 ASP C C 179 179.216 179.216 178.983 0.233 18167 16423 1 17 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.325 0.577 18167 16424 1 17 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.240 0.717 18167 16425 1 17 . 1 1 161 161 ASP H H 179 8.578 8.578 7.814 0.764 18167 16426 1 17 . 1 1 162 162 THR N N 180 118.300 118.300 117.404 0.896 18167 16427 1 17 . 1 1 162 162 THR HA H 180 3.849 3.849 4.043 -0.194 18167 16428 1 17 . 1 1 162 162 THR C C 180 176.875 176.875 176.727 0.148 18167 16429 1 17 . 1 1 162 162 THR CA C 180 66.977 66.977 66.725 0.252 18167 16430 1 17 . 1 1 162 162 THR CB C 180 68.886 68.886 68.856 0.030 18167 16431 1 17 . 1 1 162 162 THR H H 180 7.771 7.771 8.352 -0.581 18167 16432 1 17 . 1 1 163 163 VAL N N 181 123.234 123.234 121.568 1.666 18167 16433 1 17 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.706 -0.112 18167 16434 1 17 . 1 1 163 163 VAL C C 181 180.016 180.016 177.694 2.322 18167 16435 1 17 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.377 0.379 18167 16436 1 17 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.540 0.172 18167 16437 1 17 . 1 1 163 163 VAL H H 181 8.831 8.831 8.493 0.338 18167 16438 1 17 . 1 1 164 164 ALA N N 182 124.654 124.654 121.715 2.939 18167 16439 1 17 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.280 -0.018 18167 16440 1 17 . 1 1 164 164 ALA C C 182 180.510 180.510 179.169 1.341 18167 16441 1 17 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.194 1.265 18167 16442 1 17 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.449 -0.886 18167 16443 1 17 . 1 1 164 164 ALA H H 182 9.662 9.662 8.411 1.251 18167 16444 1 17 . 1 1 165 165 SER N N 183 112.325 112.325 111.895 0.430 18167 16445 1 17 . 1 1 165 165 SER HA H 183 4.173 4.173 4.321 -0.148 18167 16446 1 17 . 1 1 165 165 SER C C 183 173.817 173.817 176.074 -2.257 18167 16447 1 17 . 1 1 165 165 SER CA C 183 61.155 61.155 59.879 1.276 18167 16448 1 17 . 1 1 165 165 SER CB C 183 63.140 63.140 63.784 -0.644 18167 16449 1 17 . 1 1 165 165 SER H H 183 7.988 7.988 8.234 -0.246 18167 16450 1 17 . 1 1 166 166 SER N N 184 117.332 117.332 117.272 0.060 18167 16451 1 17 . 1 1 166 166 SER HA H 184 4.356 4.356 4.373 -0.017 18167 16452 1 17 . 1 1 166 166 SER C C 184 174.163 174.163 175.789 -1.626 18167 16453 1 17 . 1 1 166 166 SER CA C 184 59.502 59.502 60.040 -0.538 18167 16454 1 17 . 1 1 166 166 SER CB C 184 63.416 63.416 63.457 -0.041 18167 16455 1 17 . 1 1 166 166 SER H H 184 7.766 7.766 7.746 0.020 18167 16456 1 17 . 1 1 167 167 PHE N N 185 124.827 124.827 122.709 2.118 18167 16457 1 17 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.641 0.522 18167 16458 1 17 . 1 1 167 167 PHE C C 185 174.545 174.545 174.599 -0.054 18167 16459 1 17 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.107 -0.605 18167 16460 1 17 . 1 1 167 167 PHE CB C 185 38.390 38.390 38.707 -0.317 18167 16461 1 17 . 1 1 167 167 PHE H H 185 7.101 7.101 7.501 -0.400 18167 16462 1 17 . 1 1 168 168 HIS N N 186 127.050 127.050 122.259 4.791 18167 16463 1 17 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.389 0.764 18167 16464 1 17 . 1 1 168 168 HIS C C 186 172.836 172.836 173.460 -0.624 18167 16465 1 17 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.705 -0.549 18167 16466 1 17 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.994 -1.991 18167 16467 1 17 . 1 1 168 168 HIS H H 186 8.645 8.645 8.681 -0.036 18167 16468 1 17 . 1 1 169 169 VAL N N 187 114.268 114.268 118.189 -3.921 18167 16469 1 17 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.282 -0.122 18167 16470 1 17 . 1 1 169 169 VAL C C 187 174.449 174.449 174.403 0.046 18167 16471 1 17 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.826 -0.473 18167 16472 1 17 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.495 -1.086 18167 16473 1 17 . 1 1 169 169 VAL H H 187 7.466 7.466 7.524 -0.058 18167 16474 1 18 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.631 -0.159 18167 16475 1 18 . 1 1 2 2 PRO C C 20 177.006 177.006 177.624 -0.618 18167 16476 1 18 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.597 0.443 18167 16477 1 18 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.524 -0.460 18167 16478 1 18 . 1 1 3 3 LEU N N 21 122.423 122.423 122.278 0.145 18167 16479 1 18 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.119 0.222 18167 16480 1 18 . 1 1 3 3 LEU C C 21 177.928 177.928 178.403 -0.475 18167 16481 1 18 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.844 -0.526 18167 16482 1 18 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.296 0.970 18167 16483 1 18 . 1 1 3 3 LEU H H 21 8.551 8.551 8.467 0.084 18167 16484 1 18 . 1 1 4 4 GLY N N 22 109.759 109.759 106.565 3.194 18167 16485 1 18 . 1 1 4 4 GLY C C 22 174.309 174.309 174.728 -0.419 18167 16486 1 18 . 1 1 4 4 GLY CA C 22 45.230 45.230 45.975 -0.745 18167 16487 1 18 . 1 1 4 4 GLY H H 22 8.423 8.423 8.626 -0.203 18167 16488 1 18 . 1 1 5 5 SER N N 23 115.538 115.538 114.850 0.688 18167 16489 1 18 . 1 1 5 5 SER HA H 23 4.488 4.488 4.672 -0.184 18167 16490 1 18 . 1 1 5 5 SER C C 23 174.841 174.841 173.783 1.058 18167 16491 1 18 . 1 1 5 5 SER CA C 23 58.329 58.329 57.339 0.990 18167 16492 1 18 . 1 1 5 5 SER CB C 23 63.957 63.957 64.942 -0.985 18167 16493 1 18 . 1 1 5 5 SER H H 23 8.233 8.233 7.748 0.485 18167 16494 1 18 . 1 1 6 6 CYS N N 24 120.699 120.699 120.768 -0.069 18167 16495 1 18 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.631 -0.089 18167 16496 1 18 . 1 1 6 6 CYS C C 24 175.079 175.079 175.805 -0.726 18167 16497 1 18 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.525 0.192 18167 16498 1 18 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.259 -0.291 18167 16499 1 18 . 1 1 6 6 CYS H H 24 8.493 8.493 8.304 0.189 18167 16500 1 18 . 1 1 7 7 GLY N N 25 110.895 110.895 109.737 1.158 18167 16501 1 18 . 1 1 7 7 GLY C C 25 174.402 174.402 173.840 0.562 18167 16502 1 18 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.773 0.705 18167 16503 1 18 . 1 1 7 7 GLY H H 25 8.449 8.449 8.206 0.243 18167 16504 1 18 . 1 1 8 8 GLY N N 26 108.733 108.733 107.373 1.360 18167 16505 1 18 . 1 1 8 8 GLY C C 26 174.113 174.113 173.989 0.124 18167 16506 1 18 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.865 0.315 18167 16507 1 18 . 1 1 8 8 GLY H H 26 8.236 8.236 8.710 -0.473 18167 16508 1 18 . 1 1 9 9 VAL N N 27 118.903 118.903 117.492 1.411 18167 16509 1 18 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.392 -0.268 18167 16510 1 18 . 1 1 9 9 VAL C C 27 176.630 176.630 175.685 0.945 18167 16511 1 18 . 1 1 9 9 VAL CA C 27 62.385 62.385 60.685 1.700 18167 16512 1 18 . 1 1 9 9 VAL CB C 27 32.521 32.521 34.762 -2.241 18167 16513 1 18 . 1 1 9 9 VAL H H 27 8.019 8.019 8.226 -0.207 18167 16514 1 18 . 1 1 10 10 GLY N N 28 112.317 112.317 111.748 0.569 18167 16515 1 18 . 1 1 10 10 GLY C C 28 174.378 174.378 174.656 -0.278 18167 16516 1 18 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.659 0.687 18167 16517 1 18 . 1 1 10 10 GLY H H 28 8.483 8.483 8.548 -0.065 18167 16518 1 18 . 1 1 11 11 ILE N N 29 119.788 119.788 120.597 -0.809 18167 16519 1 18 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.122 -0.041 18167 16520 1 18 . 1 1 11 11 ILE C C 29 176.168 176.168 175.876 0.292 18167 16521 1 18 . 1 1 11 11 ILE CA C 29 61.412 61.412 61.886 -0.474 18167 16522 1 18 . 1 1 11 11 ILE CB C 29 38.557 38.557 38.307 0.250 18167 16523 1 18 . 1 1 11 11 ILE H H 29 7.948 7.948 8.360 -0.412 18167 16524 1 18 . 1 1 12 12 ALA N N 30 126.009 126.009 122.624 3.385 18167 16525 1 18 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.368 -0.080 18167 16526 1 18 . 1 1 12 12 ALA C C 30 177.504 177.504 175.606 1.898 18167 16527 1 18 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.035 1.830 18167 16528 1 18 . 1 1 12 12 ALA CB C 30 18.966 18.966 20.574 -1.608 18167 16529 1 18 . 1 1 12 12 ALA H H 30 8.247 8.247 7.231 1.016 18167 16530 1 18 . 1 1 13 13 SER N N 31 113.949 113.949 115.515 -1.566 18167 16531 1 18 . 1 1 13 13 SER HA H 31 4.392 4.392 4.314 0.078 18167 16532 1 18 . 1 1 13 13 SER C C 31 173.644 173.644 173.410 0.234 18167 16533 1 18 . 1 1 13 13 SER CA C 31 58.329 58.329 58.822 -0.492 18167 16534 1 18 . 1 1 13 13 SER CB C 31 63.609 63.609 63.499 0.110 18167 16535 1 18 . 1 1 13 13 SER H H 31 8.045 8.045 8.225 -0.180 18167 16536 1 18 . 1 1 14 14 LEU N N 32 122.240 122.240 123.001 -0.761 18167 16537 1 18 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.153 0.392 18167 16538 1 18 . 1 1 14 14 LEU C C 32 176.001 176.001 176.279 -0.278 18167 16539 1 18 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.678 0.199 18167 16540 1 18 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.158 1.087 18167 16541 1 18 . 1 1 14 14 LEU H H 32 7.749 7.749 8.000 -0.251 18167 16542 1 18 . 1 1 15 15 GLN N N 33 120.685 120.685 121.122 -0.437 18167 16543 1 18 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.463 -0.081 18167 16544 1 18 . 1 1 15 15 GLN C C 33 172.944 172.944 174.077 -1.133 18167 16545 1 18 . 1 1 15 15 GLN CA C 33 53.461 53.461 54.040 -0.579 18167 16546 1 18 . 1 1 15 15 GLN CB C 33 30.743 30.743 30.715 0.028 18167 16547 1 18 . 1 1 15 15 GLN H H 33 8.780 8.780 7.703 1.077 18167 16548 1 18 . 1 1 16 16 ARG N N 34 120.341 120.341 120.505 -0.164 18167 16549 1 18 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.524 0.380 18167 16550 1 18 . 1 1 16 16 ARG C C 34 175.846 175.846 174.713 1.133 18167 16551 1 18 . 1 1 16 16 ARG CA C 34 55.701 55.701 55.098 0.603 18167 16552 1 18 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.295 0.447 18167 16553 1 18 . 1 1 16 16 ARG H H 34 8.274 8.274 8.388 -0.114 18167 16554 1 18 . 1 1 17 17 TYR N N 35 128.733 128.733 125.312 3.421 18167 16555 1 18 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.905 -0.347 18167 16556 1 18 . 1 1 17 17 TYR C C 35 173.307 173.307 173.505 -0.198 18167 16557 1 18 . 1 1 17 17 TYR CA C 35 57.733 57.733 58.224 -0.491 18167 16558 1 18 . 1 1 17 17 TYR CB C 35 41.583 41.583 42.223 -0.640 18167 16559 1 18 . 1 1 17 17 TYR H H 35 9.104 9.104 8.253 0.851 18167 16560 1 18 . 1 1 18 18 SER N N 36 119.150 119.150 120.646 -1.496 18167 16561 1 18 . 1 1 18 18 SER HA H 36 4.786 4.786 5.104 -0.318 18167 16562 1 18 . 1 1 18 18 SER C C 36 172.002 172.002 172.465 -0.463 18167 16563 1 18 . 1 1 18 18 SER CA C 36 56.341 56.341 56.563 -0.222 18167 16564 1 18 . 1 1 18 18 SER CB C 36 65.327 65.327 66.421 -1.094 18167 16565 1 18 . 1 1 18 18 SER H H 36 7.398 7.398 7.809 -0.411 18167 16566 1 18 . 1 1 19 19 ASP N N 37 124.935 124.935 121.148 3.787 18167 16567 1 18 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.979 -0.308 18167 16568 1 18 . 1 1 19 19 ASP C C 37 176.089 176.089 176.983 -0.894 18167 16569 1 18 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.474 -0.665 18167 16570 1 18 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.976 -1.511 18167 16571 1 18 . 1 1 19 19 ASP H H 37 8.607 8.607 8.331 0.276 18167 16572 1 18 . 1 1 20 20 THR N N 38 117.032 117.032 115.379 1.653 18167 16573 1 18 . 1 1 20 20 THR HA H 38 4.316 4.316 4.040 0.276 18167 16574 1 18 . 1 1 20 20 THR C C 38 175.794 175.794 175.766 0.028 18167 16575 1 18 . 1 1 20 20 THR CA C 38 63.123 63.123 64.501 -1.378 18167 16576 1 18 . 1 1 20 20 THR CB C 38 68.905 68.905 69.245 -0.340 18167 16577 1 18 . 1 1 20 20 THR H H 38 8.470 8.470 8.500 -0.030 18167 16578 1 18 . 1 1 21 21 LYS N N 39 124.893 124.893 121.371 3.522 18167 16579 1 18 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.001 0.188 18167 16580 1 18 . 1 1 21 21 LYS C C 39 177.678 177.678 177.406 0.272 18167 16581 1 18 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.507 -0.712 18167 16582 1 18 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.598 -0.930 18167 16583 1 18 . 1 1 21 21 LYS H H 39 8.201 8.201 7.967 0.234 18167 16584 1 18 . 1 1 22 22 ASP N N 40 118.183 118.183 115.495 2.688 18167 16585 1 18 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.548 0.273 18167 16586 1 18 . 1 1 22 22 ASP C C 40 176.752 176.752 177.256 -0.504 18167 16587 1 18 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.513 0.366 18167 16588 1 18 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.864 1.005 18167 16589 1 18 . 1 1 22 22 ASP H H 40 8.480 8.480 8.459 0.021 18167 16590 1 18 . 1 1 23 23 GLY N N 41 108.978 108.978 108.564 0.414 18167 16591 1 18 . 1 1 23 23 GLY C C 41 172.396 172.396 173.131 -0.735 18167 16592 1 18 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.593 1.523 18167 16593 1 18 . 1 1 23 23 GLY H H 41 7.421 7.421 8.375 -0.954 18167 16594 1 18 . 1 1 24 24 TYR N N 42 112.046 112.046 116.165 -4.119 18167 16595 1 18 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.894 -0.500 18167 16596 1 18 . 1 1 24 24 TYR C C 42 173.028 173.028 173.057 -0.029 18167 16597 1 18 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.370 1.462 18167 16598 1 18 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.334 0.520 18167 16599 1 18 . 1 1 24 24 TYR H H 42 7.506 7.506 7.830 -0.324 18167 16600 1 18 . 1 1 25 25 GLU N N 43 117.470 117.470 120.760 -3.290 18167 16601 1 18 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.208 0.260 18167 16602 1 18 . 1 1 25 25 GLU C C 43 173.311 173.311 174.222 -0.911 18167 16603 1 18 . 1 1 25 25 GLU CA C 43 54.231 54.231 54.762 -0.531 18167 16604 1 18 . 1 1 25 25 GLU CB C 43 33.625 33.625 34.364 -0.739 18167 16605 1 18 . 1 1 25 25 GLU H H 43 8.934 8.934 8.915 0.019 18167 16606 1 18 . 1 1 26 26 PHE N N 44 112.795 112.795 119.444 -6.649 18167 16607 1 18 . 1 1 26 26 PHE HA H 44 4.842 4.842 4.807 0.035 18167 16608 1 18 . 1 1 26 26 PHE C C 44 172.776 172.776 172.787 -0.011 18167 16609 1 18 . 1 1 26 26 PHE CA C 44 56.616 56.616 58.441 -1.825 18167 16610 1 18 . 1 1 26 26 PHE CB C 44 40.449 40.449 42.722 -2.273 18167 16611 1 18 . 1 1 26 26 PHE H H 44 8.532 8.532 8.814 -0.282 18167 16612 1 18 . 1 1 27 27 LEU N N 45 119.784 119.784 126.094 -6.310 18167 16613 1 18 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.712 0.808 18167 16614 1 18 . 1 1 27 27 LEU C C 45 174.965 174.965 174.605 0.360 18167 16615 1 18 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.388 -0.614 18167 16616 1 18 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.018 1.632 18167 16617 1 18 . 1 1 27 27 LEU H H 45 9.241 9.241 7.668 1.573 18167 16618 1 18 . 1 1 28 28 TYR N N 46 113.008 113.008 119.674 -6.666 18167 16619 1 18 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.692 0.221 18167 16620 1 18 . 1 1 28 28 TYR C C 46 171.354 171.354 172.250 -0.896 18167 16621 1 18 . 1 1 28 28 TYR CA C 46 54.757 54.757 53.577 1.180 18167 16622 1 18 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.639 -0.492 18167 16623 1 18 . 1 1 28 28 TYR H H 46 8.951 8.951 8.023 0.928 18167 16624 1 18 . 1 1 29 29 PRO HA H 47 4.007 4.007 3.855 0.152 18167 16625 1 18 . 1 1 29 29 PRO C C 47 176.165 176.165 176.040 0.125 18167 16626 1 18 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.876 0.442 18167 16627 1 18 . 1 1 29 29 PRO CB C 47 31.340 31.340 31.787 -0.447 18167 16628 1 18 . 1 1 30 30 ASN N N 48 119.923 119.923 120.620 -0.697 18167 16629 1 18 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.518 -0.255 18167 16630 1 18 . 1 1 30 30 ASN C C 48 176.347 176.347 176.345 0.002 18167 16631 1 18 . 1 1 30 30 ASN CA C 48 55.201 55.201 52.851 2.350 18167 16632 1 18 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.722 -0.134 18167 16633 1 18 . 1 1 30 30 ASN H H 48 8.163 8.163 7.827 0.336 18167 16634 1 18 . 1 1 31 31 GLY N N 49 111.442 111.442 107.623 3.819 18167 16635 1 18 . 1 1 31 31 GLY C C 49 174.985 174.985 174.762 0.223 18167 16636 1 18 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.218 0.174 18167 16637 1 18 . 1 1 31 31 GLY H H 49 8.702 8.702 8.619 0.083 18167 16638 1 18 . 1 1 32 32 TRP N N 50 122.100 122.100 120.140 1.960 18167 16639 1 18 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.049 0.293 18167 16640 1 18 . 1 1 32 32 TRP C C 50 176.370 176.370 177.238 -0.868 18167 16641 1 18 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.349 0.944 18167 16642 1 18 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.175 -0.071 18167 16643 1 18 . 1 1 32 32 TRP H H 50 8.008 8.008 7.667 0.341 18167 16644 1 18 . 1 1 33 33 ILE N N 51 117.163 117.163 119.432 -2.269 18167 16645 1 18 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.791 0.164 18167 16646 1 18 . 1 1 33 33 ILE C C 51 175.549 175.549 175.094 0.455 18167 16647 1 18 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.977 -0.749 18167 16648 1 18 . 1 1 33 33 ILE CB C 51 42.089 42.089 40.549 1.540 18167 16649 1 18 . 1 1 33 33 ILE H H 51 9.249 9.249 8.317 0.932 18167 16650 1 18 . 1 1 34 34 GLY N N 52 111.812 111.812 111.573 0.239 18167 16651 1 18 . 1 1 34 34 GLY C C 52 173.956 173.956 174.004 -0.048 18167 16652 1 18 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.880 1.524 18167 16653 1 18 . 1 1 34 34 GLY H H 52 8.787 8.787 8.357 0.430 18167 16654 1 18 . 1 1 35 35 VAL N N 53 122.174 122.174 124.655 -2.481 18167 16655 1 18 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.151 -0.007 18167 16656 1 18 . 1 1 35 35 VAL C C 53 174.921 174.921 175.245 -0.324 18167 16657 1 18 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.547 0.110 18167 16658 1 18 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.398 0.643 18167 16659 1 18 . 1 1 35 35 VAL H H 53 7.763 7.763 8.768 -1.005 18167 16660 1 18 . 1 1 36 36 ASP N N 54 125.424 125.424 126.136 -0.712 18167 16661 1 18 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.688 -0.099 18167 16662 1 18 . 1 1 36 36 ASP C C 54 176.890 176.890 176.047 0.843 18167 16663 1 18 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.511 -0.061 18167 16664 1 18 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.372 -0.199 18167 16665 1 18 . 1 1 36 36 ASP H H 54 8.425 8.425 8.561 -0.136 18167 16666 1 18 . 1 1 37 37 VAL N N 55 120.335 120.335 117.189 3.146 18167 16667 1 18 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.449 -0.281 18167 16668 1 18 . 1 1 37 37 VAL C C 55 176.785 176.785 175.205 1.580 18167 16669 1 18 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.101 0.818 18167 16670 1 18 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.441 -0.652 18167 16671 1 18 . 1 1 37 37 VAL H H 55 8.215 8.215 8.321 -0.106 18167 16672 1 18 . 1 1 38 38 LYS N N 56 124.881 124.881 121.496 3.385 18167 16673 1 18 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.311 -0.109 18167 16674 1 18 . 1 1 38 38 LYS C C 56 177.828 177.828 177.509 0.319 18167 16675 1 18 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.308 0.695 18167 16676 1 18 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.268 -0.631 18167 16677 1 18 . 1 1 38 38 LYS H H 56 8.331 8.331 8.001 0.330 18167 16678 1 18 . 1 1 39 39 GLY N N 57 111.152 111.152 111.646 -0.494 18167 16679 1 18 . 1 1 39 39 GLY C C 57 174.253 174.253 174.066 0.187 18167 16680 1 18 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.585 0.775 18167 16681 1 18 . 1 1 39 39 GLY H H 57 8.651 8.651 8.902 -0.251 18167 16682 1 18 . 1 1 40 40 ALA N N 58 123.085 123.085 122.660 0.425 18167 16683 1 18 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.455 -0.072 18167 16684 1 18 . 1 1 40 40 ALA C C 58 177.125 177.125 177.094 0.031 18167 16685 1 18 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.439 0.915 18167 16686 1 18 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.549 0.068 18167 16687 1 18 . 1 1 40 40 ALA H H 58 7.839 7.839 7.565 0.274 18167 16688 1 18 . 1 1 41 41 SER N N 59 115.088 115.088 115.461 -0.373 18167 16689 1 18 . 1 1 41 41 SER HA H 59 4.688 4.688 4.383 0.305 18167 16690 1 18 . 1 1 41 41 SER C C 59 171.885 171.885 173.252 -1.367 18167 16691 1 18 . 1 1 41 41 SER CA C 59 56.951 56.951 57.991 -1.040 18167 16692 1 18 . 1 1 41 41 SER CB C 59 63.123 63.123 62.671 0.452 18167 16693 1 18 . 1 1 41 41 SER H H 59 8.186 8.186 8.246 -0.060 18167 16694 1 18 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.406 -0.057 18167 16695 1 18 . 1 1 42 42 PRO C C 60 177.660 177.660 177.582 0.078 18167 16696 1 18 . 1 1 42 42 PRO CA C 60 64.225 64.225 63.640 0.585 18167 16697 1 18 . 1 1 42 42 PRO CB C 60 31.541 31.541 32.201 -0.660 18167 16698 1 18 . 1 1 43 43 GLY N N 61 111.997 111.997 111.546 0.451 18167 16699 1 18 . 1 1 43 43 GLY C C 61 174.070 174.070 174.195 -0.125 18167 16700 1 18 . 1 1 43 43 GLY CA C 61 45.614 45.614 45.218 0.396 18167 16701 1 18 . 1 1 43 43 GLY H H 61 8.730 8.730 8.543 0.187 18167 16702 1 18 . 1 1 44 44 VAL N N 62 120.539 120.539 121.697 -1.158 18167 16703 1 18 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.816 0.461 18167 16704 1 18 . 1 1 44 44 VAL C C 62 175.277 175.277 175.217 0.060 18167 16705 1 18 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.407 -1.480 18167 16706 1 18 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.605 -0.050 18167 16707 1 18 . 1 1 44 44 VAL H H 62 7.573 7.573 7.382 0.191 18167 16708 1 18 . 1 1 45 45 ASP N N 63 128.619 128.619 126.847 1.772 18167 16709 1 18 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.778 0.129 18167 16710 1 18 . 1 1 45 45 ASP C C 63 176.177 176.177 175.383 0.794 18167 16711 1 18 . 1 1 45 45 ASP CA C 63 55.855 55.855 54.791 1.064 18167 16712 1 18 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.716 0.559 18167 16713 1 18 . 1 1 45 45 ASP H H 63 9.084 9.084 8.635 0.449 18167 16714 1 18 . 1 1 46 46 VAL N N 64 115.687 115.687 117.885 -2.198 18167 16715 1 18 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.213 0.097 18167 16716 1 18 . 1 1 46 46 VAL C C 64 172.853 172.853 173.810 -0.957 18167 16717 1 18 . 1 1 46 46 VAL CA C 64 61.171 61.171 61.203 -0.032 18167 16718 1 18 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.806 0.102 18167 16719 1 18 . 1 1 46 46 VAL H H 64 7.314 7.314 7.422 -0.108 18167 16720 1 18 . 1 1 47 47 VAL N N 65 124.933 124.933 122.078 2.855 18167 16721 1 18 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.437 0.619 18167 16722 1 18 . 1 1 47 47 VAL C C 65 175.266 175.266 174.112 1.154 18167 16723 1 18 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.187 -0.105 18167 16724 1 18 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.150 2.517 18167 16725 1 18 . 1 1 47 47 VAL H H 65 8.146 8.146 7.952 0.194 18167 16726 1 18 . 1 1 48 48 PHE N N 66 122.916 122.916 126.052 -3.136 18167 16727 1 18 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.167 0.324 18167 16728 1 18 . 1 1 48 48 PHE C C 66 174.371 174.371 174.865 -0.494 18167 16729 1 18 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.443 0.086 18167 16730 1 18 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.169 1.990 18167 16731 1 18 . 1 1 48 48 PHE H H 66 8.469 8.469 9.464 -0.995 18167 16732 1 18 . 1 1 49 49 ARG N N 67 116.381 116.381 120.782 -4.401 18167 16733 1 18 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.502 0.003 18167 16734 1 18 . 1 1 49 49 ARG C C 67 173.455 173.455 173.636 -0.181 18167 16735 1 18 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.615 -0.781 18167 16736 1 18 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.256 0.642 18167 16737 1 18 . 1 1 49 49 ARG H H 67 9.271 9.271 8.491 0.780 18167 16738 1 18 . 1 1 50 50 ASP N N 68 121.066 121.066 122.768 -1.702 18167 16739 1 18 . 1 1 50 50 ASP HA H 68 4.051 4.051 3.761 0.290 18167 16740 1 18 . 1 1 50 50 ASP C C 68 176.670 176.670 176.329 0.341 18167 16741 1 18 . 1 1 50 50 ASP CA C 68 54.616 54.616 51.860 2.756 18167 16742 1 18 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.343 1.558 18167 16743 1 18 . 1 1 50 50 ASP H H 68 7.165 7.165 8.027 -0.862 18167 16744 1 18 . 1 1 51 51 LEU N N 69 124.078 124.078 124.452 -0.374 18167 16745 1 18 . 1 1 51 51 LEU HA H 69 4.025 4.025 3.990 0.035 18167 16746 1 18 . 1 1 51 51 LEU C C 69 177.463 177.463 177.903 -0.440 18167 16747 1 18 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.025 0.383 18167 16748 1 18 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.183 0.966 18167 16749 1 18 . 1 1 51 51 LEU H H 69 8.314 8.314 8.494 -0.180 18167 16750 1 18 . 1 1 52 52 ILE N N 70 118.341 118.341 116.399 1.942 18167 16751 1 18 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.904 0.169 18167 16752 1 18 . 1 1 52 52 ILE C C 70 177.093 177.093 176.264 0.829 18167 16753 1 18 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.574 -1.716 18167 16754 1 18 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.681 -0.061 18167 16755 1 18 . 1 1 52 52 ILE H H 70 8.178 8.178 7.680 0.498 18167 16756 1 18 . 1 1 53 53 GLU N N 71 122.254 122.254 116.733 5.521 18167 16757 1 18 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.550 -0.166 18167 16758 1 18 . 1 1 53 53 GLU C C 71 176.084 176.084 175.456 0.628 18167 16759 1 18 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.040 -0.232 18167 16760 1 18 . 1 1 53 53 GLU CB C 71 28.758 28.758 31.437 -2.679 18167 16761 1 18 . 1 1 53 53 GLU H H 71 8.974 8.974 8.179 0.795 18167 16762 1 18 . 1 1 54 54 ARG N N 72 121.414 121.414 123.192 -1.778 18167 16763 1 18 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.125 -0.143 18167 16764 1 18 . 1 1 54 54 ARG C C 72 176.478 176.478 176.354 0.124 18167 16765 1 18 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.133 0.107 18167 16766 1 18 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.489 -0.525 18167 16767 1 18 . 1 1 54 54 ARG H H 72 8.052 8.052 8.453 -0.401 18167 16768 1 18 . 1 1 55 55 ASP N N 73 117.425 117.425 119.287 -1.862 18167 16769 1 18 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.545 -0.094 18167 16770 1 18 . 1 1 55 55 ASP C C 73 173.783 173.783 176.094 -2.311 18167 16771 1 18 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.712 -0.638 18167 16772 1 18 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.440 0.302 18167 16773 1 18 . 1 1 55 55 ASP H H 73 8.455 8.455 8.345 0.110 18167 16774 1 18 . 1 1 56 56 GLU N N 74 124.050 124.050 119.626 4.424 18167 16775 1 18 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.665 0.834 18167 16776 1 18 . 1 1 56 56 GLU C C 74 174.110 174.110 174.974 -0.864 18167 16777 1 18 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.224 0.254 18167 16778 1 18 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.871 1.575 18167 16779 1 18 . 1 1 56 56 GLU H H 74 7.773 7.773 8.011 -0.238 18167 16780 1 18 . 1 1 57 57 ASN N N 75 119.794 119.794 122.352 -2.558 18167 16781 1 18 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.885 -0.122 18167 16782 1 18 . 1 1 57 57 ASN C C 75 171.893 171.893 173.167 -1.274 18167 16783 1 18 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.754 0.209 18167 16784 1 18 . 1 1 57 57 ASN CB C 75 42.369 42.369 41.605 0.764 18167 16785 1 18 . 1 1 57 57 ASN H H 75 8.891 8.891 8.474 0.417 18167 16786 1 18 . 1 1 58 58 LEU N N 76 116.438 116.438 123.755 -7.317 18167 16787 1 18 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.154 0.187 18167 16788 1 18 . 1 1 58 58 LEU C C 76 174.630 174.630 174.848 -0.218 18167 16789 1 18 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.599 -0.771 18167 16790 1 18 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.309 0.570 18167 16791 1 18 . 1 1 58 58 LEU H H 76 9.166 9.166 8.098 1.068 18167 16792 1 18 . 1 1 59 59 SER N N 77 114.543 114.543 121.171 -6.628 18167 16793 1 18 . 1 1 59 59 SER HA H 77 5.432 5.432 5.100 0.332 18167 16794 1 18 . 1 1 59 59 SER C C 77 172.602 172.602 172.629 -0.027 18167 16795 1 18 . 1 1 59 59 SER CA C 77 56.593 56.593 57.525 -0.932 18167 16796 1 18 . 1 1 59 59 SER CB C 77 66.720 66.720 66.281 0.439 18167 16797 1 18 . 1 1 59 59 SER H H 77 8.352 8.352 8.458 -0.106 18167 16798 1 18 . 1 1 60 60 VAL N N 78 122.017 122.017 118.704 3.313 18167 16799 1 18 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.901 0.068 18167 16800 1 18 . 1 1 60 60 VAL C C 78 174.861 174.861 174.332 0.529 18167 16801 1 18 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.337 0.847 18167 16802 1 18 . 1 1 60 60 VAL CB C 78 33.312 33.312 34.083 -0.771 18167 16803 1 18 . 1 1 60 60 VAL H H 78 8.306 8.306 8.594 -0.288 18167 16804 1 18 . 1 1 61 61 ILE N N 79 128.458 128.458 125.579 2.879 18167 16805 1 18 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.737 -0.016 18167 16806 1 18 . 1 1 61 61 ILE C C 79 175.639 175.639 174.763 0.876 18167 16807 1 18 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.541 -0.297 18167 16808 1 18 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.164 1.122 18167 16809 1 18 . 1 1 61 61 ILE H H 79 9.193 9.193 7.813 1.380 18167 16810 1 18 . 1 1 62 62 ILE N N 80 129.957 129.957 127.905 2.052 18167 16811 1 18 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.153 -0.111 18167 16812 1 18 . 1 1 62 62 ILE C C 80 175.727 175.727 175.213 0.514 18167 16813 1 18 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.812 0.346 18167 16814 1 18 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.129 -0.352 18167 16815 1 18 . 1 1 62 62 ILE H H 80 9.140 9.140 9.192 -0.052 18167 16816 1 18 . 1 1 63 63 SER N N 81 122.084 122.084 122.382 -0.298 18167 16817 1 18 . 1 1 63 63 SER HA H 81 4.878 4.878 4.725 0.153 18167 16818 1 18 . 1 1 63 63 SER C C 81 172.933 172.933 172.169 0.764 18167 16819 1 18 . 1 1 63 63 SER CA C 81 56.689 56.689 57.572 -0.883 18167 16820 1 18 . 1 1 63 63 SER CB C 81 65.862 65.862 66.741 -0.879 18167 16821 1 18 . 1 1 63 63 SER H H 81 9.079 9.079 8.951 0.128 18167 16822 1 18 . 1 1 64 64 GLU N N 82 121.983 121.983 121.360 0.623 18167 16823 1 18 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.839 -0.247 18167 16824 1 18 . 1 1 64 64 GLU C C 82 176.501 176.501 176.522 -0.021 18167 16825 1 18 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.238 1.603 18167 16826 1 18 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.742 -0.232 18167 16827 1 18 . 1 1 64 64 GLU H H 82 8.664 8.664 8.469 0.195 18167 16828 1 18 . 1 1 65 65 ILE N N 83 121.194 121.194 120.620 0.574 18167 16829 1 18 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.577 -0.000 18167 16830 1 18 . 1 1 65 65 ILE C C 83 173.233 173.233 174.402 -1.169 18167 16831 1 18 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.183 0.615 18167 16832 1 18 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.892 1.596 18167 16833 1 18 . 1 1 65 65 ILE H H 83 8.271 8.271 7.989 0.282 18167 16834 1 18 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.478 -0.027 18167 16835 1 18 . 1 1 66 66 PRO C C 84 177.697 177.697 176.928 0.769 18167 16836 1 18 . 1 1 66 66 PRO CA C 84 63.197 63.197 63.072 0.125 18167 16837 1 18 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.415 -0.350 18167 16838 1 18 . 1 1 67 67 SER N N 85 116.018 116.018 118.094 -2.076 18167 16839 1 18 . 1 1 67 67 SER HA H 85 4.149 4.149 4.199 -0.050 18167 16840 1 18 . 1 1 67 67 SER C C 85 174.387 174.387 174.770 -0.383 18167 16841 1 18 . 1 1 67 67 SER CA C 85 60.348 60.348 60.679 -0.331 18167 16842 1 18 . 1 1 67 67 SER CB C 85 63.402 63.402 63.228 0.174 18167 16843 1 18 . 1 1 67 67 SER H H 85 8.465 8.465 8.595 -0.130 18167 16844 1 18 . 1 1 68 68 ASP N N 86 118.568 118.568 117.359 1.209 18167 16845 1 18 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.656 -0.098 18167 16846 1 18 . 1 1 68 68 ASP C C 86 175.732 175.732 175.794 -0.062 18167 16847 1 18 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.477 -0.667 18167 16848 1 18 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.574 -0.356 18167 16849 1 18 . 1 1 68 68 ASP H H 86 8.531 8.531 8.340 0.191 18167 16850 1 18 . 1 1 69 69 LYS N N 87 119.225 119.225 118.616 0.609 18167 16851 1 18 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.612 0.070 18167 16852 1 18 . 1 1 69 69 LYS C C 87 175.814 175.814 175.229 0.585 18167 16853 1 18 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.336 -0.475 18167 16854 1 18 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.874 -2.168 18167 16855 1 18 . 1 1 69 69 LYS H H 87 7.653 7.653 7.281 0.372 18167 16856 1 18 . 1 1 70 70 THR N N 88 113.175 113.175 113.102 0.073 18167 16857 1 18 . 1 1 70 70 THR HA H 88 4.529 4.529 4.540 -0.011 18167 16858 1 18 . 1 1 70 70 THR C C 88 175.278 175.278 175.493 -0.215 18167 16859 1 18 . 1 1 70 70 THR CA C 88 60.699 60.699 59.786 0.913 18167 16860 1 18 . 1 1 70 70 THR CB C 88 70.710 70.710 71.413 -0.703 18167 16861 1 18 . 1 1 70 70 THR H H 88 8.608 8.608 8.363 0.245 18167 16862 1 18 . 1 1 71 71 LEU N N 89 121.978 121.978 122.616 -0.638 18167 16863 1 18 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.948 -0.011 18167 16864 1 18 . 1 1 71 71 LEU C C 89 177.698 177.698 177.659 0.039 18167 16865 1 18 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.343 -0.579 18167 16866 1 18 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.783 0.712 18167 16867 1 18 . 1 1 71 71 LEU H H 89 7.998 7.998 8.886 -0.888 18167 16868 1 18 . 1 1 72 72 THR N N 90 106.680 106.680 109.244 -2.564 18167 16869 1 18 . 1 1 72 72 THR HA H 90 4.221 4.221 4.078 0.143 18167 16870 1 18 . 1 1 72 72 THR C C 90 176.248 176.248 175.469 0.779 18167 16871 1 18 . 1 1 72 72 THR CA C 90 63.648 63.648 64.810 -1.162 18167 16872 1 18 . 1 1 72 72 THR CB C 90 68.620 68.620 68.407 0.213 18167 16873 1 18 . 1 1 72 72 THR H H 90 7.798 7.798 7.932 -0.134 18167 16874 1 18 . 1 1 73 73 ASP N N 91 120.626 120.626 120.464 0.162 18167 16875 1 18 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.520 0.090 18167 16876 1 18 . 1 1 73 73 ASP C C 91 177.133 177.133 177.795 -0.662 18167 16877 1 18 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.542 0.059 18167 16878 1 18 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.582 1.091 18167 16879 1 18 . 1 1 73 73 ASP H H 91 7.805 7.805 8.124 -0.320 18167 16880 1 18 . 1 1 74 74 LEU N N 92 120.238 120.238 119.865 0.373 18167 16881 1 18 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.049 0.172 18167 16882 1 18 . 1 1 74 74 LEU C C 92 176.907 176.907 177.210 -0.303 18167 16883 1 18 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.852 -1.208 18167 16884 1 18 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.253 -0.929 18167 16885 1 18 . 1 1 74 74 LEU H H 92 8.182 8.182 8.200 -0.018 18167 16886 1 18 . 1 1 75 75 GLY N N 93 105.772 105.772 102.380 3.392 18167 16887 1 18 . 1 1 75 75 GLY C C 93 173.853 173.853 172.123 1.730 18167 16888 1 18 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.787 -0.759 18167 16889 1 18 . 1 1 75 75 GLY H H 93 7.713 7.713 7.465 0.248 18167 16890 1 18 . 1 1 76 76 THR N N 94 111.354 111.354 110.168 1.186 18167 16891 1 18 . 1 1 76 76 THR HA H 94 4.426 4.426 4.722 -0.296 18167 16892 1 18 . 1 1 76 76 THR C C 94 174.396 174.396 176.256 -1.860 18167 16893 1 18 . 1 1 76 76 THR CA C 94 61.220 61.220 60.698 0.522 18167 16894 1 18 . 1 1 76 76 THR CB C 94 71.400 71.400 71.746 -0.346 18167 16895 1 18 . 1 1 76 76 THR H H 94 8.842 8.842 8.134 0.708 18167 16896 1 18 . 1 1 77 77 ALA N N 95 122.586 122.586 123.424 -0.838 18167 16897 1 18 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.921 -0.595 18167 16898 1 18 . 1 1 77 77 ALA C C 95 179.120 179.120 179.593 -0.473 18167 16899 1 18 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.555 0.069 18167 16900 1 18 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.819 -0.840 18167 16901 1 18 . 1 1 77 77 ALA H H 95 8.861 8.861 8.789 0.072 18167 16902 1 18 . 1 1 78 78 THR N N 96 110.298 110.298 114.547 -4.249 18167 16903 1 18 . 1 1 78 78 THR HA H 96 3.479 3.479 3.987 -0.508 18167 16904 1 18 . 1 1 78 78 THR C C 96 175.297 175.297 176.753 -1.456 18167 16905 1 18 . 1 1 78 78 THR CA C 96 66.314 66.314 66.791 -0.477 18167 16906 1 18 . 1 1 78 78 THR CB C 96 68.335 68.335 68.462 -0.127 18167 16907 1 18 . 1 1 78 78 THR H H 96 7.757 7.757 7.685 0.072 18167 16908 1 18 . 1 1 79 79 ASP N N 97 122.829 122.829 122.602 0.227 18167 16909 1 18 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.605 -0.193 18167 16910 1 18 . 1 1 79 79 ASP C C 97 179.693 179.693 178.752 0.941 18167 16911 1 18 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.370 0.624 18167 16912 1 18 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.747 -0.216 18167 16913 1 18 . 1 1 79 79 ASP H H 97 7.448 7.448 8.154 -0.706 18167 16914 1 18 . 1 1 80 80 VAL N N 98 121.175 121.175 119.526 1.649 18167 16915 1 18 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.816 -0.334 18167 16916 1 18 . 1 1 80 80 VAL C C 98 178.667 178.667 178.375 0.292 18167 16917 1 18 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.505 0.051 18167 16918 1 18 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.552 -0.044 18167 16919 1 18 . 1 1 80 80 VAL H H 98 8.390 8.390 8.736 -0.346 18167 16920 1 18 . 1 1 81 81 GLY N N 99 108.920 108.920 108.224 0.696 18167 16921 1 18 . 1 1 81 81 GLY C C 99 175.133 175.133 176.173 -1.040 18167 16922 1 18 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.453 1.597 18167 16923 1 18 . 1 1 81 81 GLY H H 99 8.630 8.630 7.902 0.728 18167 16924 1 18 . 1 1 82 82 TYR N N 100 121.598 121.598 122.170 -0.572 18167 16925 1 18 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.335 -0.007 18167 16926 1 18 . 1 1 82 82 TYR C C 100 179.383 179.383 178.554 0.829 18167 16927 1 18 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.522 0.217 18167 16928 1 18 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.250 -1.151 18167 16929 1 18 . 1 1 82 82 TYR H H 100 8.880 8.880 7.936 0.944 18167 16930 1 18 . 1 1 83 83 ARG N N 101 121.436 121.436 118.875 2.561 18167 16931 1 18 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.027 0.060 18167 16932 1 18 . 1 1 83 83 ARG C C 101 178.906 178.906 178.705 0.201 18167 16933 1 18 . 1 1 83 83 ARG CA C 101 59.547 59.547 58.714 0.833 18167 16934 1 18 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.632 -0.009 18167 16935 1 18 . 1 1 83 83 ARG H H 101 8.102 8.102 8.239 -0.137 18167 16936 1 18 . 1 1 84 84 PHE N N 102 121.581 121.581 122.580 -0.999 18167 16937 1 18 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.200 0.187 18167 16938 1 18 . 1 1 84 84 PHE C C 102 177.731 177.731 177.276 0.455 18167 16939 1 18 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.447 -1.441 18167 16940 1 18 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.924 -0.683 18167 16941 1 18 . 1 1 84 84 PHE H H 102 8.511 8.511 8.675 -0.164 18167 16942 1 18 . 1 1 85 85 MET N N 103 117.909 117.909 118.085 -0.176 18167 16943 1 18 . 1 1 85 85 MET HA H 103 3.850 3.850 3.833 0.017 18167 16944 1 18 . 1 1 85 85 MET C C 103 178.063 178.063 178.342 -0.279 18167 16945 1 18 . 1 1 85 85 MET CA C 103 57.352 57.352 57.587 -0.235 18167 16946 1 18 . 1 1 85 85 MET CB C 103 33.654 33.654 31.103 2.551 18167 16947 1 18 . 1 1 85 85 MET H H 103 8.350 8.350 7.752 0.598 18167 16948 1 18 . 1 1 86 86 LYS N N 104 118.874 118.874 120.333 -1.459 18167 16949 1 18 . 1 1 86 86 LYS HA H 104 4.004 4.004 4.019 -0.015 18167 16950 1 18 . 1 1 86 86 LYS C C 104 177.910 177.910 179.022 -1.112 18167 16951 1 18 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.363 0.085 18167 16952 1 18 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.025 -0.340 18167 16953 1 18 . 1 1 86 86 LYS H H 104 7.578 7.578 7.755 -0.177 18167 16954 1 18 . 1 1 87 87 THR N N 105 114.567 114.567 117.072 -2.505 18167 16955 1 18 . 1 1 87 87 THR HA H 105 3.949 3.949 4.043 -0.094 18167 16956 1 18 . 1 1 87 87 THR C C 105 176.912 176.912 176.608 0.304 18167 16957 1 18 . 1 1 87 87 THR CA C 105 66.108 66.108 66.906 -0.798 18167 16958 1 18 . 1 1 87 87 THR CB C 105 68.909 68.909 68.731 0.177 18167 16959 1 18 . 1 1 87 87 THR H H 105 7.667 7.667 7.948 -0.281 18167 16960 1 18 . 1 1 88 88 VAL N N 106 122.160 122.160 121.041 1.119 18167 16961 1 18 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.301 0.190 18167 16962 1 18 . 1 1 88 88 VAL C C 106 178.950 178.950 177.623 1.327 18167 16963 1 18 . 1 1 88 88 VAL CA C 106 65.824 65.824 66.169 -0.345 18167 16964 1 18 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.330 0.179 18167 16965 1 18 . 1 1 88 88 VAL H H 106 7.600 7.600 7.995 -0.395 18167 16966 1 18 . 1 1 89 89 ASN N N 107 120.741 120.741 118.178 2.563 18167 16967 1 18 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.360 0.130 18167 16968 1 18 . 1 1 89 89 ASN C C 107 178.483 178.483 177.330 1.153 18167 16969 1 18 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.534 0.408 18167 16970 1 18 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.700 0.190 18167 16971 1 18 . 1 1 89 89 ASN H H 107 8.501 8.501 8.184 0.317 18167 16972 1 18 . 1 1 90 90 ASP N N 108 121.211 121.211 119.754 1.457 18167 16973 1 18 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.319 0.161 18167 16974 1 18 . 1 1 90 90 ASP C C 108 177.598 177.598 177.205 0.393 18167 16975 1 18 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.893 -0.526 18167 16976 1 18 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.087 0.155 18167 16977 1 18 . 1 1 90 90 ASP H H 108 8.824 8.824 8.627 0.197 18167 16978 1 18 . 1 1 91 91 ALA N N 109 121.181 121.181 120.102 1.079 18167 16979 1 18 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.222 0.170 18167 16980 1 18 . 1 1 91 91 ALA C C 109 177.936 177.936 178.315 -0.379 18167 16981 1 18 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.954 -1.262 18167 16982 1 18 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.220 -0.331 18167 16983 1 18 . 1 1 91 91 ALA H H 109 7.507 7.507 7.490 0.017 18167 16984 1 18 . 1 1 92 92 SER N N 110 113.785 113.785 113.005 0.780 18167 16985 1 18 . 1 1 92 92 SER HA H 110 4.537 4.537 4.615 -0.078 18167 16986 1 18 . 1 1 92 92 SER C C 110 174.252 174.252 175.121 -0.869 18167 16987 1 18 . 1 1 92 92 SER CA C 110 58.565 58.565 57.454 1.111 18167 16988 1 18 . 1 1 92 92 SER CB C 110 64.795 64.795 64.118 0.677 18167 16989 1 18 . 1 1 92 92 SER H H 110 7.611 7.611 7.654 -0.043 18167 16990 1 18 . 1 1 93 93 GLN N N 111 119.994 119.994 122.765 -2.771 18167 16991 1 18 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.070 0.353 18167 16992 1 18 . 1 1 93 93 GLN C C 111 176.441 176.441 177.463 -1.022 18167 16993 1 18 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.889 -3.097 18167 16994 1 18 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.667 0.176 18167 16995 1 18 . 1 1 93 93 GLN H H 111 8.414 8.414 8.346 0.068 18167 16996 1 18 . 1 1 94 94 GLY N N 112 107.948 107.948 107.113 0.835 18167 16997 1 18 . 1 1 94 94 GLY C C 112 174.406 174.406 175.263 -0.857 18167 16998 1 18 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.788 -0.846 18167 16999 1 18 . 1 1 94 94 GLY H H 112 8.467 8.467 8.535 -0.068 18167 17000 1 18 . 1 1 95 95 ASP N N 113 119.500 119.500 119.209 0.291 18167 17001 1 18 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.744 -0.188 18167 17002 1 18 . 1 1 95 95 ASP C C 113 175.438 175.438 175.805 -0.367 18167 17003 1 18 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.438 0.242 18167 17004 1 18 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.497 -2.303 18167 17005 1 18 . 1 1 95 95 ASP H H 113 8.423 8.423 7.841 0.582 18167 17006 1 18 . 1 1 96 96 ARG N N 114 118.992 118.992 122.147 -3.155 18167 17007 1 18 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.485 0.576 18167 17008 1 18 . 1 1 96 96 ARG C C 114 175.699 175.699 174.306 1.393 18167 17009 1 18 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.257 -1.214 18167 17010 1 18 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.316 1.324 18167 17011 1 18 . 1 1 96 96 ARG H H 114 7.507 7.507 7.756 -0.249 18167 17012 1 18 . 1 1 97 97 GLN N N 115 121.149 121.149 123.907 -2.758 18167 17013 1 18 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.656 0.013 18167 17014 1 18 . 1 1 97 97 GLN C C 115 173.696 173.696 173.761 -0.065 18167 17015 1 18 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.352 0.205 18167 17016 1 18 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.640 -1.567 18167 17017 1 18 . 1 1 97 97 GLN H H 115 8.814 8.814 8.439 0.375 18167 17018 1 18 . 1 1 98 98 ALA N N 116 129.789 129.789 126.620 3.169 18167 17019 1 18 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.268 0.048 18167 17020 1 18 . 1 1 98 98 ALA C C 116 176.503 176.503 176.556 -0.053 18167 17021 1 18 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.319 0.495 18167 17022 1 18 . 1 1 98 98 ALA CB C 116 21.042 21.042 21.021 0.021 18167 17023 1 18 . 1 1 98 98 ALA H H 116 9.836 9.836 8.565 1.271 18167 17024 1 18 . 1 1 99 99 GLU N N 117 122.780 122.780 122.163 0.617 18167 17025 1 18 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.626 -0.023 18167 17026 1 18 . 1 1 99 99 GLU C C 117 174.361 174.361 175.054 -0.693 18167 17027 1 18 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.943 -0.623 18167 17028 1 18 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.182 0.130 18167 17029 1 18 . 1 1 99 99 GLU H H 117 9.252 9.252 8.667 0.585 18167 17030 1 18 . 1 1 100 100 LEU N N 118 127.043 127.043 127.625 -0.582 18167 17031 1 18 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.480 -0.173 18167 17032 1 18 . 1 1 100 100 LEU C C 118 176.338 176.338 176.283 0.055 18167 17033 1 18 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.246 0.276 18167 17034 1 18 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.954 0.687 18167 17035 1 18 . 1 1 100 100 LEU H H 118 8.765 8.765 8.800 -0.035 18167 17036 1 18 . 1 1 101 101 ILE N N 119 128.101 128.101 128.006 0.095 18167 17037 1 18 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.911 0.185 18167 17038 1 18 . 1 1 101 101 ILE C C 119 175.634 175.634 176.672 -1.038 18167 17039 1 18 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.286 -0.883 18167 17040 1 18 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.689 0.369 18167 17041 1 18 . 1 1 101 101 ILE H H 119 9.244 9.244 8.737 0.507 18167 17042 1 18 . 1 1 102 102 ASN N N 120 114.715 114.715 115.337 -0.622 18167 17043 1 18 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.857 0.098 18167 17044 1 18 . 1 1 102 102 ASN C C 120 172.326 172.326 172.858 -0.532 18167 17045 1 18 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.630 0.743 18167 17046 1 18 . 1 1 102 102 ASN CB C 120 42.887 42.887 42.174 0.713 18167 17047 1 18 . 1 1 102 102 ASN H H 120 7.989 7.989 7.909 0.080 18167 17048 1 18 . 1 1 103 103 ALA N N 121 125.011 125.011 123.081 1.930 18167 17049 1 18 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.320 0.137 18167 17050 1 18 . 1 1 103 103 ALA C C 121 175.068 175.068 175.407 -0.339 18167 17051 1 18 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.356 0.003 18167 17052 1 18 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.079 1.329 18167 17053 1 18 . 1 1 103 103 ALA H H 121 8.182 8.182 8.452 -0.270 18167 17054 1 18 . 1 1 104 104 GLU N N 122 121.148 121.148 120.653 0.495 18167 17055 1 18 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.641 0.054 18167 17056 1 18 . 1 1 104 104 GLU C C 122 173.666 173.666 173.954 -0.288 18167 17057 1 18 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.788 0.305 18167 17058 1 18 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.522 -0.012 18167 17059 1 18 . 1 1 104 104 GLU H H 122 8.817 8.817 8.455 0.362 18167 17060 1 18 . 1 1 105 105 ALA N N 123 124.441 124.441 123.567 0.874 18167 17061 1 18 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.426 0.101 18167 17062 1 18 . 1 1 105 105 ALA C C 123 176.479 176.479 176.327 0.152 18167 17063 1 18 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.806 0.325 18167 17064 1 18 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.750 1.101 18167 17065 1 18 . 1 1 105 105 ALA H H 123 8.860 8.860 8.470 0.390 18167 17066 1 18 . 1 1 106 106 ARG N N 124 120.892 120.892 119.563 1.329 18167 17067 1 18 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.774 0.049 18167 17068 1 18 . 1 1 106 106 ARG C C 124 172.820 172.820 174.006 -1.186 18167 17069 1 18 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.504 0.268 18167 17070 1 18 . 1 1 106 106 ARG CB C 124 33.270 33.270 35.016 -1.746 18167 17071 1 18 . 1 1 106 106 ARG H H 124 9.209 9.209 9.186 0.023 18167 17072 1 18 . 1 1 107 107 ASP N N 125 122.706 122.706 121.963 0.743 18167 17073 1 18 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.647 -0.408 18167 17074 1 18 . 1 1 107 107 ASP C C 125 176.097 176.097 175.342 0.755 18167 17075 1 18 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.324 -0.380 18167 17076 1 18 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.706 0.432 18167 17077 1 18 . 1 1 107 107 ASP H H 125 8.633 8.633 8.623 0.010 18167 17078 1 18 . 1 1 108 108 GLU N N 126 126.120 126.120 124.759 1.361 18167 17079 1 18 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.702 0.003 18167 17080 1 18 . 1 1 108 108 GLU C C 126 175.768 175.768 176.032 -0.264 18167 17081 1 18 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.476 -0.459 18167 17082 1 18 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.780 -3.356 18167 17083 1 18 . 1 1 108 108 GLU H H 126 9.152 9.152 9.256 -0.104 18167 17084 1 18 . 1 1 109 109 ASP N N 127 126.277 126.277 123.536 2.741 18167 17085 1 18 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.374 -0.020 18167 17086 1 18 . 1 1 109 109 ASP C C 127 175.414 175.414 176.579 -1.165 18167 17087 1 18 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.675 0.716 18167 17088 1 18 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.442 -0.200 18167 17089 1 18 . 1 1 109 109 ASP H H 127 9.067 9.067 9.012 0.055 18167 17090 1 18 . 1 1 110 110 GLY N N 128 106.859 106.859 103.717 3.142 18167 17091 1 18 . 1 1 110 110 GLY C C 128 173.761 173.761 173.893 -0.132 18167 17092 1 18 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.144 0.098 18167 17093 1 18 . 1 1 110 110 GLY H H 128 9.008 9.008 8.212 0.796 18167 17094 1 18 . 1 1 111 111 GLN N N 129 123.033 123.033 120.480 2.553 18167 17095 1 18 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.528 -0.145 18167 17096 1 18 . 1 1 111 111 GLN C C 129 173.901 173.901 174.256 -0.355 18167 17097 1 18 . 1 1 111 111 GLN CA C 129 53.936 53.936 53.937 -0.000 18167 17098 1 18 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.310 -1.127 18167 17099 1 18 . 1 1 111 111 GLN H H 129 7.825 7.825 8.234 -0.409 18167 17100 1 18 . 1 1 112 112 VAL N N 130 128.263 128.263 125.968 2.295 18167 17101 1 18 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.752 0.120 18167 17102 1 18 . 1 1 112 112 VAL C C 130 175.591 175.591 174.842 0.749 18167 17103 1 18 . 1 1 112 112 VAL CA C 130 62.103 62.103 60.976 1.127 18167 17104 1 18 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.689 -0.316 18167 17105 1 18 . 1 1 112 112 VAL H H 130 8.330 8.330 8.341 -0.011 18167 17106 1 18 . 1 1 113 113 TYR N N 131 126.702 126.702 124.923 1.779 18167 17107 1 18 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.816 0.234 18167 17108 1 18 . 1 1 113 113 TYR C C 131 175.477 175.477 174.825 0.652 18167 17109 1 18 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.356 0.067 18167 17110 1 18 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.806 0.683 18167 17111 1 18 . 1 1 113 113 TYR H H 131 9.136 9.136 9.166 -0.030 18167 17112 1 18 . 1 1 114 114 TYR N N 132 121.626 121.626 124.130 -2.504 18167 17113 1 18 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.116 0.714 18167 17114 1 18 . 1 1 114 114 TYR C C 132 175.368 175.368 175.559 -0.191 18167 17115 1 18 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.974 -1.906 18167 17116 1 18 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.566 -1.248 18167 17117 1 18 . 1 1 114 114 TYR H H 132 9.577 9.577 9.556 0.021 18167 17118 1 18 . 1 1 115 115 THR N N 133 120.018 120.018 121.168 -1.150 18167 17119 1 18 . 1 1 115 115 THR HA H 133 5.486 5.486 4.602 0.884 18167 17120 1 18 . 1 1 115 115 THR C C 133 174.327 174.327 172.772 1.555 18167 17121 1 18 . 1 1 115 115 THR CA C 133 61.648 61.648 62.092 -0.444 18167 17122 1 18 . 1 1 115 115 THR CB C 133 69.622 69.622 69.935 -0.313 18167 17123 1 18 . 1 1 115 115 THR H H 133 9.351 9.351 9.339 0.012 18167 17124 1 18 . 1 1 116 116 LEU N N 134 127.249 127.249 128.382 -1.133 18167 17125 1 18 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.760 0.535 18167 17126 1 18 . 1 1 116 116 LEU C C 134 174.347 174.347 174.418 -0.071 18167 17127 1 18 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.157 -1.528 18167 17128 1 18 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.931 -0.396 18167 17129 1 18 . 1 1 116 116 LEU H H 134 10.010 10.010 9.488 0.522 18167 17130 1 18 . 1 1 117 117 GLU N N 135 124.969 124.969 125.130 -0.161 18167 17131 1 18 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.796 0.782 18167 17132 1 18 . 1 1 117 117 GLU C C 135 175.635 175.635 174.956 0.679 18167 17133 1 18 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.722 -0.583 18167 17134 1 18 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.746 -0.583 18167 17135 1 18 . 1 1 117 117 GLU H H 135 9.109 9.109 9.105 0.004 18167 17136 1 18 . 1 1 118 118 TYR N N 136 125.868 125.868 122.870 2.998 18167 17137 1 18 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.561 -0.286 18167 17138 1 18 . 1 1 118 118 TYR C C 136 170.317 170.317 172.669 -2.352 18167 17139 1 18 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.117 -0.105 18167 17140 1 18 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.071 0.445 18167 17141 1 18 . 1 1 118 118 TYR H H 136 8.973 8.973 8.407 0.566 18167 17142 1 18 . 1 1 119 119 ARG N N 137 115.256 115.256 117.664 -2.408 18167 17143 1 18 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.566 0.511 18167 17144 1 18 . 1 1 119 119 ARG C C 137 173.643 173.643 174.362 -0.719 18167 17145 1 18 . 1 1 119 119 ARG CA C 137 53.123 53.123 53.941 -0.818 18167 17146 1 18 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.115 -0.930 18167 17147 1 18 . 1 1 119 119 ARG H H 137 8.920 8.920 8.991 -0.071 18167 17148 1 18 . 1 1 120 120 VAL N N 138 119.767 119.767 120.887 -1.120 18167 17149 1 18 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.646 0.140 18167 17150 1 18 . 1 1 120 120 VAL C C 138 174.355 174.355 174.358 -0.003 18167 17151 1 18 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.194 0.590 18167 17152 1 18 . 1 1 120 120 VAL CB C 138 34.162 34.162 32.991 1.171 18167 17153 1 18 . 1 1 120 120 VAL H H 138 8.430 8.430 8.488 -0.058 18167 17154 1 18 . 1 1 121 121 LEU N N 139 129.915 129.915 129.167 0.748 18167 17155 1 18 . 1 1 121 121 LEU HA H 139 5.085 5.085 4.774 0.311 18167 17156 1 18 . 1 1 121 121 LEU C C 139 176.376 176.376 175.185 1.191 18167 17157 1 18 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.087 0.572 18167 17158 1 18 . 1 1 121 121 LEU CB C 139 44.122 44.122 44.265 -0.143 18167 17159 1 18 . 1 1 121 121 LEU H H 139 9.333 9.333 9.217 0.116 18167 17160 1 18 . 1 1 122 122 VAL N N 140 120.956 120.956 122.402 -1.446 18167 17161 1 18 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.386 -0.011 18167 17162 1 18 . 1 1 122 122 VAL C C 140 177.264 177.264 176.581 0.683 18167 17163 1 18 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.395 1.073 18167 17164 1 18 . 1 1 122 122 VAL CB C 140 32.874 32.874 33.730 -0.856 18167 17165 1 18 . 1 1 122 122 VAL H H 140 8.655 8.655 8.060 0.595 18167 17166 1 18 . 1 1 123 123 GLY N N 141 119.059 119.059 118.558 0.501 18167 17167 1 18 . 1 1 123 123 GLY C C 141 174.482 174.482 174.336 0.146 18167 17168 1 18 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.555 0.613 18167 17169 1 18 . 1 1 123 123 GLY H H 141 8.940 8.940 8.887 0.053 18167 17170 1 18 . 1 1 124 124 ASP N N 142 124.652 124.652 124.530 0.122 18167 17171 1 18 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.867 -0.233 18167 17172 1 18 . 1 1 124 124 ASP C C 142 175.588 175.588 175.439 0.149 18167 17173 1 18 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.769 0.621 18167 17174 1 18 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.938 0.326 18167 17175 1 18 . 1 1 124 124 ASP H H 142 8.722 8.722 8.561 0.161 18167 17176 1 18 . 1 1 125 125 ASN N N 143 118.203 118.203 117.497 0.706 18167 17177 1 18 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.881 0.046 18167 17178 1 18 . 1 1 125 125 ASN C C 143 174.095 174.095 173.572 0.523 18167 17179 1 18 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.492 -0.086 18167 17180 1 18 . 1 1 125 125 ASN CB C 143 41.063 41.063 42.379 -1.316 18167 17181 1 18 . 1 1 125 125 ASN H H 143 8.023 8.023 7.705 0.318 18167 17182 1 18 . 1 1 126 126 VAL N N 144 123.424 123.424 120.617 2.807 18167 17183 1 18 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.920 0.160 18167 17184 1 18 . 1 1 126 126 VAL C C 144 175.767 175.767 176.113 -0.346 18167 17185 1 18 . 1 1 126 126 VAL CA C 144 63.309 63.309 63.816 -0.507 18167 17186 1 18 . 1 1 126 126 VAL H H 144 8.857 8.857 8.560 0.297 18167 17187 1 18 . 1 1 127 127 GLU N N 145 130.709 130.709 128.697 2.012 18167 17188 1 18 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.054 0.351 18167 17189 1 18 . 1 1 127 127 GLU C C 145 176.522 176.522 175.980 0.542 18167 17190 1 18 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.744 -0.780 18167 17191 1 18 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.021 1.334 18167 17192 1 18 . 1 1 127 127 GLU H H 145 9.487 9.487 9.097 0.390 18167 17193 1 18 . 1 1 128 128 ARG N N 146 113.222 113.222 112.514 0.708 18167 17194 1 18 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.494 0.567 18167 17195 1 18 . 1 1 128 128 ARG C C 146 172.055 172.055 173.629 -1.574 18167 17196 1 18 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.216 -0.835 18167 17197 1 18 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.576 1.415 18167 17198 1 18 . 1 1 128 128 ARG H H 146 7.657 7.657 7.256 0.401 18167 17199 1 18 . 1 1 129 129 HIS N N 147 125.158 125.158 117.760 7.398 18167 17200 1 18 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.438 0.194 18167 17201 1 18 . 1 1 129 129 HIS C C 147 172.407 172.407 172.846 -0.439 18167 17202 1 18 . 1 1 129 129 HIS CA C 147 54.196 54.196 56.081 -1.885 18167 17203 1 18 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.169 0.767 18167 17204 1 18 . 1 1 129 129 HIS H H 147 9.295 9.295 8.338 0.957 18167 17205 1 18 . 1 1 130 130 ASP N N 148 122.383 122.383 120.875 1.508 18167 17206 1 18 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.045 1.082 18167 17207 1 18 . 1 1 130 130 ASP C C 148 174.350 174.350 173.079 1.271 18167 17208 1 18 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.445 -0.498 18167 17209 1 18 . 1 1 130 130 ASP CB C 148 42.968 42.968 45.046 -2.078 18167 17210 1 18 . 1 1 130 130 ASP H H 148 8.879 8.879 7.886 0.993 18167 17211 1 18 . 1 1 131 131 LEU N N 149 121.444 121.444 124.417 -2.973 18167 17212 1 18 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.953 0.336 18167 17213 1 18 . 1 1 131 131 LEU C C 149 174.289 174.289 173.916 0.373 18167 17214 1 18 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.592 0.266 18167 17215 1 18 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.089 1.779 18167 17216 1 18 . 1 1 131 131 LEU H H 149 8.916 8.916 8.406 0.510 18167 17217 1 18 . 1 1 132 132 ALA N N 150 128.498 128.498 129.182 -0.684 18167 17218 1 18 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.543 0.487 18167 17219 1 18 . 1 1 132 132 ALA C C 150 176.044 176.044 175.401 0.643 18167 17220 1 18 . 1 1 132 132 ALA CA C 150 49.401 49.401 49.921 -0.520 18167 17221 1 18 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.736 -0.913 18167 17222 1 18 . 1 1 132 132 ALA H H 150 9.920 9.920 9.334 0.586 18167 17223 1 18 . 1 1 133 133 SER N N 151 116.937 116.937 117.022 -0.085 18167 17224 1 18 . 1 1 133 133 SER HA H 151 5.812 5.812 5.417 0.395 18167 17225 1 18 . 1 1 133 133 SER C C 151 173.367 173.367 173.173 0.194 18167 17226 1 18 . 1 1 133 133 SER CA C 151 56.394 56.394 56.240 0.154 18167 17227 1 18 . 1 1 133 133 SER CB C 151 65.448 65.448 65.268 0.180 18167 17228 1 18 . 1 1 133 133 SER H H 151 9.360 9.360 8.347 1.013 18167 17229 1 18 . 1 1 134 134 VAL N N 152 126.011 126.011 128.789 -2.778 18167 17230 1 18 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.715 0.694 18167 17231 1 18 . 1 1 134 134 VAL C C 152 175.735 175.735 175.059 0.676 18167 17232 1 18 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.279 -1.117 18167 17233 1 18 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.918 2.002 18167 17234 1 18 . 1 1 134 134 VAL H H 152 9.558 9.558 9.224 0.334 18167 17235 1 18 . 1 1 135 135 THR N N 153 118.998 118.998 123.137 -4.139 18167 17236 1 18 . 1 1 135 135 THR HA H 153 4.723 4.723 4.859 -0.136 18167 17237 1 18 . 1 1 135 135 THR C C 153 171.746 171.746 173.283 -1.537 18167 17238 1 18 . 1 1 135 135 THR CA C 153 61.221 61.221 61.194 0.027 18167 17239 1 18 . 1 1 135 135 THR CB C 153 69.300 69.300 72.146 -2.846 18167 17240 1 18 . 1 1 135 135 THR H H 153 8.960 8.960 9.085 -0.125 18167 17241 1 18 . 1 1 136 136 THR N N 154 109.883 109.883 116.907 -7.024 18167 17242 1 18 . 1 1 136 136 THR HA H 154 5.636 5.636 5.323 0.313 18167 17243 1 18 . 1 1 136 136 THR C C 154 173.904 173.904 173.886 0.018 18167 17244 1 18 . 1 1 136 136 THR CA C 154 58.391 58.391 59.783 -1.392 18167 17245 1 18 . 1 1 136 136 THR CB C 154 71.387 71.387 70.287 1.099 18167 17246 1 18 . 1 1 136 136 THR H H 154 7.940 7.940 8.412 -0.472 18167 17247 1 18 . 1 1 137 137 ASN N N 155 115.138 115.138 121.474 -6.336 18167 17248 1 18 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.788 0.118 18167 17249 1 18 . 1 1 137 137 ASN C C 155 174.994 174.994 174.800 0.194 18167 17250 1 18 . 1 1 137 137 ASN CA C 155 54.345 54.345 52.830 1.515 18167 17251 1 18 . 1 1 137 137 ASN CB C 155 41.807 41.807 39.700 2.107 18167 17252 1 18 . 1 1 137 137 ASN H H 155 8.938 8.938 8.527 0.411 18167 17253 1 18 . 1 1 138 138 ARG N N 156 125.040 125.040 125.249 -0.209 18167 17254 1 18 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.021 -0.064 18167 17255 1 18 . 1 1 138 138 ARG C C 156 175.870 175.870 176.366 -0.496 18167 17256 1 18 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.025 0.099 18167 17257 1 18 . 1 1 138 138 ARG CB C 156 27.659 27.659 27.846 -0.187 18167 17258 1 18 . 1 1 138 138 ARG H H 156 9.364 9.364 8.943 0.421 18167 17259 1 18 . 1 1 139 139 GLY N N 157 104.408 104.408 102.574 1.834 18167 17260 1 18 . 1 1 139 139 GLY C C 157 173.563 173.563 173.979 -0.416 18167 17261 1 18 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.014 0.807 18167 17262 1 18 . 1 1 139 139 GLY H H 157 8.862 8.862 8.460 0.402 18167 17263 1 18 . 1 1 140 140 LYS N N 158 117.999 117.999 121.249 -3.250 18167 17264 1 18 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.579 0.381 18167 17265 1 18 . 1 1 140 140 LYS C C 158 174.527 174.527 175.149 -0.622 18167 17266 1 18 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.694 -0.972 18167 17267 1 18 . 1 1 140 140 LYS CB C 158 34.864 34.864 32.935 1.929 18167 17268 1 18 . 1 1 140 140 LYS H H 158 7.718 7.718 7.778 -0.060 18167 17269 1 18 . 1 1 141 141 LEU N N 159 124.332 124.332 127.902 -3.570 18167 17270 1 18 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.483 0.147 18167 17271 1 18 . 1 1 141 141 LEU C C 159 175.337 175.337 174.976 0.361 18167 17272 1 18 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.274 -0.036 18167 17273 1 18 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.058 0.814 18167 17274 1 18 . 1 1 141 141 LEU H H 159 9.006 9.006 9.151 -0.145 18167 17275 1 18 . 1 1 142 142 ILE N N 160 128.619 128.619 127.506 1.113 18167 17276 1 18 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.835 -0.106 18167 17277 1 18 . 1 1 142 142 ILE C C 160 173.414 173.414 174.820 -1.406 18167 17278 1 18 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.155 1.078 18167 17279 1 18 . 1 1 142 142 ILE CB C 160 40.184 40.184 41.114 -0.930 18167 17280 1 18 . 1 1 142 142 ILE H H 160 9.129 9.129 9.017 0.112 18167 17281 1 18 . 1 1 143 143 THR N N 161 122.266 122.266 122.639 -0.373 18167 17282 1 18 . 1 1 143 143 THR HA H 161 4.797 4.797 5.287 -0.490 18167 17283 1 18 . 1 1 143 143 THR C C 161 171.903 171.903 173.372 -1.469 18167 17284 1 18 . 1 1 143 143 THR CA C 161 61.666 61.666 61.198 0.468 18167 17285 1 18 . 1 1 143 143 THR CB C 161 70.025 70.025 71.221 -1.196 18167 17286 1 18 . 1 1 143 143 THR H H 161 8.818 8.818 8.568 0.250 18167 17287 1 18 . 1 1 144 144 PHE N N 162 130.742 130.742 126.819 3.923 18167 17288 1 18 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.698 0.092 18167 17289 1 18 . 1 1 144 144 PHE C C 162 173.404 173.404 173.819 -0.415 18167 17290 1 18 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.779 -1.560 18167 17291 1 18 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.156 -1.416 18167 17292 1 18 . 1 1 144 144 PHE H H 162 9.219 9.219 8.987 0.232 18167 17293 1 18 . 1 1 145 145 ASP N N 163 127.154 127.154 127.871 -0.717 18167 17294 1 18 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.156 -0.200 18167 17295 1 18 . 1 1 145 145 ASP C C 163 174.933 174.933 174.712 0.221 18167 17296 1 18 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.497 -0.087 18167 17297 1 18 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.088 0.236 18167 17298 1 18 . 1 1 145 145 ASP H H 163 8.862 8.862 8.223 0.639 18167 17299 1 18 . 1 1 146 146 LEU N N 164 131.658 131.658 127.080 4.578 18167 17300 1 18 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.726 -0.131 18167 17301 1 18 . 1 1 146 146 LEU C C 164 174.511 174.511 175.264 -0.753 18167 17302 1 18 . 1 1 146 146 LEU CA C 164 53.971 53.971 53.954 0.017 18167 17303 1 18 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.091 -1.994 18167 17304 1 18 . 1 1 146 146 LEU H H 164 8.938 8.938 8.755 0.183 18167 17305 1 18 . 1 1 147 147 SER N N 165 114.966 114.966 117.539 -2.573 18167 17306 1 18 . 1 1 147 147 SER HA H 165 5.186 5.186 4.889 0.297 18167 17307 1 18 . 1 1 147 147 SER C C 165 173.417 173.417 173.064 0.353 18167 17308 1 18 . 1 1 147 147 SER CA C 165 56.600 56.600 57.487 -0.887 18167 17309 1 18 . 1 1 147 147 SER CB C 165 67.205 67.205 64.886 2.319 18167 17310 1 18 . 1 1 147 147 SER H H 165 8.995 8.995 8.438 0.557 18167 17311 1 18 . 1 1 148 148 THR N N 166 118.620 118.620 121.898 -3.278 18167 17312 1 18 . 1 1 148 148 THR HA H 166 5.144 5.144 4.803 0.341 18167 17313 1 18 . 1 1 148 148 THR C C 166 173.151 173.151 172.764 0.387 18167 17314 1 18 . 1 1 148 148 THR CA C 166 60.362 60.362 61.581 -1.219 18167 17315 1 18 . 1 1 148 148 THR CB C 166 69.214 69.214 73.376 -4.162 18167 17316 1 18 . 1 1 148 148 THR H H 166 8.614 8.614 8.010 0.604 18167 17317 1 18 . 1 1 149 149 ALA N N 167 124.595 124.595 125.050 -0.455 18167 17318 1 18 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.302 0.303 18167 17319 1 18 . 1 1 149 149 ALA C C 167 179.460 179.460 178.525 0.935 18167 17320 1 18 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.708 -1.152 18167 17321 1 18 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.460 0.798 18167 17322 1 18 . 1 1 149 149 ALA H H 167 8.107 8.107 8.762 -0.655 18167 17323 1 18 . 1 1 150 150 GLU N N 168 123.906 123.906 121.169 2.737 18167 17324 1 18 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.238 0.260 18167 17325 1 18 . 1 1 150 150 GLU C C 168 178.587 178.587 177.207 1.380 18167 17326 1 18 . 1 1 150 150 GLU CA C 168 58.946 58.946 58.836 0.110 18167 17327 1 18 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.723 -1.016 18167 17328 1 18 . 1 1 150 150 GLU H H 168 8.471 8.471 9.135 -0.664 18167 17329 1 18 . 1 1 151 151 ASP N N 169 114.005 114.005 117.342 -3.337 18167 17330 1 18 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.566 -0.083 18167 17331 1 18 . 1 1 151 151 ASP C C 169 177.260 177.260 176.752 0.508 18167 17332 1 18 . 1 1 151 151 ASP CA C 169 55.918 55.918 55.300 0.618 18167 17333 1 18 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.117 -0.032 18167 17334 1 18 . 1 1 151 151 ASP H H 169 8.575 8.575 8.530 0.045 18167 17335 1 18 . 1 1 152 152 ARG N N 170 118.283 118.283 116.968 1.315 18167 17336 1 18 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.668 -0.337 18167 17337 1 18 . 1 1 152 152 ARG C C 170 177.094 177.094 176.898 0.196 18167 17338 1 18 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.780 0.056 18167 17339 1 18 . 1 1 152 152 ARG CB C 170 31.984 31.984 32.250 -0.266 18167 17340 1 18 . 1 1 152 152 ARG H H 170 7.663 7.663 7.494 0.169 18167 17341 1 18 . 1 1 153 153 TRP N N 171 122.336 122.336 123.448 -1.112 18167 17342 1 18 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.546 -0.636 18167 17343 1 18 . 1 1 153 153 TRP C C 171 175.820 175.820 176.316 -0.496 18167 17344 1 18 . 1 1 153 153 TRP CA C 171 60.876 60.876 62.085 -1.209 18167 17345 1 18 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.428 -0.020 18167 17346 1 18 . 1 1 153 153 TRP H H 171 7.689 7.689 8.019 -0.330 18167 17347 1 18 . 1 1 154 154 ASP N N 172 114.179 114.179 116.888 -2.709 18167 17348 1 18 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.502 -0.485 18167 17349 1 18 . 1 1 154 154 ASP C C 172 178.442 178.442 179.124 -0.682 18167 17350 1 18 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.052 0.451 18167 17351 1 18 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.532 -0.368 18167 17352 1 18 . 1 1 154 154 ASP H H 172 8.690 8.690 8.637 0.053 18167 17353 1 18 . 1 1 155 155 THR N N 173 114.661 114.661 116.551 -1.890 18167 17354 1 18 . 1 1 155 155 THR HA H 173 3.990 3.990 4.152 -0.162 18167 17355 1 18 . 1 1 155 155 THR C C 173 175.985 175.985 176.008 -0.023 18167 17356 1 18 . 1 1 155 155 THR CA C 173 65.585 65.585 65.628 -0.043 18167 17357 1 18 . 1 1 155 155 THR CB C 173 69.076 69.076 69.081 -0.005 18167 17358 1 18 . 1 1 155 155 THR H H 173 7.635 7.635 7.784 -0.149 18167 17359 1 18 . 1 1 156 156 VAL N N 174 113.687 113.687 113.600 0.087 18167 17360 1 18 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.283 -0.006 18167 17361 1 18 . 1 1 156 156 VAL C C 174 176.185 176.185 174.958 1.227 18167 17362 1 18 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.123 1.321 18167 17363 1 18 . 1 1 156 156 VAL CB C 174 33.153 33.153 29.902 3.251 18167 17364 1 18 . 1 1 156 156 VAL H H 174 7.447 7.447 7.892 -0.445 18167 17365 1 18 . 1 1 157 157 LYS N N 175 123.084 123.084 120.066 3.018 18167 17366 1 18 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.714 -0.870 18167 17367 1 18 . 1 1 157 157 LYS C C 175 177.321 177.321 178.096 -0.775 18167 17368 1 18 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.578 0.641 18167 17369 1 18 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.580 -1.385 18167 17370 1 18 . 1 1 157 157 LYS H H 175 7.548 7.548 7.131 0.417 18167 17371 1 18 . 1 1 158 158 SER N N 176 114.046 114.046 114.897 -0.851 18167 17372 1 18 . 1 1 158 158 SER HA H 176 3.820 3.820 4.190 -0.370 18167 17373 1 18 . 1 1 158 158 SER C C 176 176.927 176.927 176.213 0.714 18167 17374 1 18 . 1 1 158 158 SER CA C 176 61.600 61.600 59.896 1.704 18167 17375 1 18 . 1 1 158 158 SER CB C 176 62.048 62.048 62.881 -0.833 18167 17376 1 18 . 1 1 158 158 SER H H 176 8.161 8.161 7.942 0.219 18167 17377 1 18 . 1 1 159 159 LEU N N 177 126.125 126.125 123.659 2.466 18167 17378 1 18 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.803 0.370 18167 17379 1 18 . 1 1 159 159 LEU C C 177 178.403 178.403 177.992 0.411 18167 17380 1 18 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.722 -0.020 18167 17381 1 18 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.279 -0.203 18167 17382 1 18 . 1 1 159 159 LEU H H 177 7.587 7.587 7.250 0.337 18167 17383 1 18 . 1 1 160 160 PHE N N 178 119.582 119.582 117.192 2.390 18167 17384 1 18 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.033 0.249 18167 17385 1 18 . 1 1 160 160 PHE C C 178 177.277 177.277 177.919 -0.642 18167 17386 1 18 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.416 -2.706 18167 17387 1 18 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.541 -2.001 18167 17388 1 18 . 1 1 160 160 PHE H H 178 9.067 9.067 6.750 2.317 18167 17389 1 18 . 1 1 161 161 ASP N N 179 120.599 120.599 118.913 1.686 18167 17390 1 18 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.484 -0.144 18167 17391 1 18 . 1 1 161 161 ASP C C 179 179.216 179.216 178.949 0.267 18167 17392 1 18 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.531 0.371 18167 17393 1 18 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.650 0.307 18167 17394 1 18 . 1 1 161 161 ASP H H 179 8.578 8.578 7.659 0.919 18167 17395 1 18 . 1 1 162 162 THR N N 180 118.300 118.300 117.298 1.002 18167 17396 1 18 . 1 1 162 162 THR HA H 180 3.849 3.849 4.060 -0.211 18167 17397 1 18 . 1 1 162 162 THR C C 180 176.875 176.875 176.780 0.095 18167 17398 1 18 . 1 1 162 162 THR CA C 180 66.977 66.977 66.895 0.082 18167 17399 1 18 . 1 1 162 162 THR CB C 180 68.886 68.886 68.983 -0.097 18167 17400 1 18 . 1 1 162 162 THR H H 180 7.771 7.771 8.379 -0.608 18167 17401 1 18 . 1 1 163 163 VAL N N 181 123.234 123.234 121.590 1.644 18167 17402 1 18 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.951 -0.357 18167 17403 1 18 . 1 1 163 163 VAL C C 181 180.016 180.016 176.930 3.086 18167 17404 1 18 . 1 1 163 163 VAL CA C 181 66.756 66.756 65.343 1.413 18167 17405 1 18 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.788 -0.076 18167 17406 1 18 . 1 1 163 163 VAL H H 181 8.831 8.831 8.462 0.369 18167 17407 1 18 . 1 1 164 164 ALA N N 182 124.654 124.654 121.520 3.134 18167 17408 1 18 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.140 0.122 18167 17409 1 18 . 1 1 164 164 ALA C C 182 180.510 180.510 178.970 1.540 18167 17410 1 18 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.098 1.361 18167 17411 1 18 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.552 -0.989 18167 17412 1 18 . 1 1 164 164 ALA H H 182 9.662 9.662 8.362 1.300 18167 17413 1 18 . 1 1 165 165 SER N N 183 112.325 112.325 112.387 -0.062 18167 17414 1 18 . 1 1 165 165 SER HA H 183 4.173 4.173 4.441 -0.268 18167 17415 1 18 . 1 1 165 165 SER C C 183 173.817 173.817 175.993 -2.176 18167 17416 1 18 . 1 1 165 165 SER CA C 183 61.155 61.155 60.212 0.944 18167 17417 1 18 . 1 1 165 165 SER CB C 183 63.140 63.140 63.932 -0.792 18167 17418 1 18 . 1 1 165 165 SER H H 183 7.988 7.988 7.964 0.024 18167 17419 1 18 . 1 1 166 166 SER N N 184 117.332 117.332 117.868 -0.536 18167 17420 1 18 . 1 1 166 166 SER HA H 184 4.356 4.356 4.368 -0.012 18167 17421 1 18 . 1 1 166 166 SER C C 184 174.163 174.163 175.858 -1.695 18167 17422 1 18 . 1 1 166 166 SER CA C 184 59.502 59.502 59.585 -0.083 18167 17423 1 18 . 1 1 166 166 SER CB C 184 63.416 63.416 63.554 -0.138 18167 17424 1 18 . 1 1 166 166 SER H H 184 7.766 7.766 7.760 0.006 18167 17425 1 18 . 1 1 167 167 PHE N N 185 124.827 124.827 123.002 1.825 18167 17426 1 18 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.527 0.636 18167 17427 1 18 . 1 1 167 167 PHE C C 185 174.545 174.545 174.895 -0.350 18167 17428 1 18 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.146 -0.644 18167 17429 1 18 . 1 1 167 167 PHE CB C 185 38.390 38.390 38.907 -0.517 18167 17430 1 18 . 1 1 167 167 PHE H H 185 7.101 7.101 7.410 -0.309 18167 17431 1 18 . 1 1 168 168 HIS N N 186 127.050 127.050 121.972 5.078 18167 17432 1 18 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.522 0.631 18167 17433 1 18 . 1 1 168 168 HIS C C 186 172.836 172.836 173.532 -0.696 18167 17434 1 18 . 1 1 168 168 HIS CA C 186 54.156 54.156 55.146 -0.990 18167 17435 1 18 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.114 -2.111 18167 17436 1 18 . 1 1 168 168 HIS H H 186 8.645 8.645 8.333 0.312 18167 17437 1 18 . 1 1 169 169 VAL N N 187 114.268 114.268 119.515 -5.247 18167 17438 1 18 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.269 -0.109 18167 17439 1 18 . 1 1 169 169 VAL C C 187 174.449 174.449 174.258 0.191 18167 17440 1 18 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.262 -0.909 18167 17441 1 18 . 1 1 169 169 VAL CB C 187 33.409 33.409 35.113 -1.704 18167 17442 1 18 . 1 1 169 169 VAL H H 187 7.466 7.466 7.505 -0.039 18167 17443 1 19 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.528 -0.056 18167 17444 1 19 . 1 1 2 2 PRO C C 20 177.006 177.006 176.392 0.614 18167 17445 1 19 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.600 0.440 18167 17446 1 19 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.538 -0.474 18167 17447 1 19 . 1 1 3 3 LEU N N 21 122.423 122.423 122.126 0.297 18167 17448 1 19 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.582 -0.241 18167 17449 1 19 . 1 1 3 3 LEU C C 21 177.928 177.928 177.535 0.393 18167 17450 1 19 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.234 0.084 18167 17451 1 19 . 1 1 3 3 LEU CB C 21 42.266 42.266 42.478 -0.213 18167 17452 1 19 . 1 1 3 3 LEU H H 21 8.551 8.551 8.342 0.209 18167 17453 1 19 . 1 1 4 4 GLY N N 22 109.759 109.759 111.072 -1.313 18167 17454 1 19 . 1 1 4 4 GLY C C 22 174.309 174.309 173.674 0.635 18167 17455 1 19 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.723 0.507 18167 17456 1 19 . 1 1 4 4 GLY H H 22 8.423 8.423 8.069 0.354 18167 17457 1 19 . 1 1 5 5 SER N N 23 115.538 115.538 117.661 -2.123 18167 17458 1 19 . 1 1 5 5 SER HA H 23 4.488 4.488 4.543 -0.055 18167 17459 1 19 . 1 1 5 5 SER C C 23 174.841 174.841 174.660 0.181 18167 17460 1 19 . 1 1 5 5 SER CA C 23 58.329 58.329 58.467 -0.138 18167 17461 1 19 . 1 1 5 5 SER CB C 23 63.957 63.957 64.282 -0.325 18167 17462 1 19 . 1 1 5 5 SER H H 23 8.233 8.233 8.439 -0.206 18167 17463 1 19 . 1 1 6 6 CYS N N 24 120.699 120.699 120.753 -0.054 18167 17464 1 19 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.584 -0.042 18167 17465 1 19 . 1 1 6 6 CYS C C 24 175.079 175.079 176.297 -1.218 18167 17466 1 19 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.368 0.349 18167 17467 1 19 . 1 1 6 6 CYS CB C 24 27.969 27.969 29.893 -1.924 18167 17468 1 19 . 1 1 6 6 CYS H H 24 8.493 8.493 8.175 0.318 18167 17469 1 19 . 1 1 7 7 GLY N N 25 110.895 110.895 112.742 -1.847 18167 17470 1 19 . 1 1 7 7 GLY C C 25 174.402 174.402 174.663 -0.261 18167 17471 1 19 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.287 0.191 18167 17472 1 19 . 1 1 7 7 GLY H H 25 8.449 8.449 8.803 -0.354 18167 17473 1 19 . 1 1 8 8 GLY N N 26 108.733 108.733 108.777 -0.044 18167 17474 1 19 . 1 1 8 8 GLY C C 26 174.113 174.113 173.424 0.689 18167 17475 1 19 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.449 0.731 18167 17476 1 19 . 1 1 8 8 GLY H H 26 8.236 8.236 7.746 0.490 18167 17477 1 19 . 1 1 9 9 VAL N N 27 118.903 118.903 121.121 -2.218 18167 17478 1 19 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.309 -0.185 18167 17479 1 19 . 1 1 9 9 VAL C C 27 176.630 176.630 174.707 1.923 18167 17480 1 19 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.302 1.083 18167 17481 1 19 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.120 -0.599 18167 17482 1 19 . 1 1 9 9 VAL H H 27 8.019 8.019 8.156 -0.137 18167 17483 1 19 . 1 1 10 10 GLY N N 28 112.317 112.317 113.369 -1.052 18167 17484 1 19 . 1 1 10 10 GLY C C 28 174.378 174.378 175.377 -0.999 18167 17485 1 19 . 1 1 10 10 GLY CA C 28 45.346 45.346 45.212 0.134 18167 17486 1 19 . 1 1 10 10 GLY H H 28 8.483 8.483 8.335 0.148 18167 17487 1 19 . 1 1 11 11 ILE N N 29 119.788 119.788 117.109 2.679 18167 17488 1 19 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.110 -0.029 18167 17489 1 19 . 1 1 11 11 ILE C C 29 176.168 176.168 175.427 0.741 18167 17490 1 19 . 1 1 11 11 ILE CA C 29 61.412 61.412 62.949 -1.537 18167 17491 1 19 . 1 1 11 11 ILE CB C 29 38.557 38.557 38.141 0.416 18167 17492 1 19 . 1 1 11 11 ILE H H 29 7.948 7.948 7.983 -0.035 18167 17493 1 19 . 1 1 12 12 ALA N N 30 126.009 126.009 124.574 1.435 18167 17494 1 19 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.485 -0.197 18167 17495 1 19 . 1 1 12 12 ALA C C 30 177.504 177.504 176.069 1.435 18167 17496 1 19 . 1 1 12 12 ALA CA C 30 52.865 52.865 51.957 0.908 18167 17497 1 19 . 1 1 12 12 ALA CB C 30 18.966 18.966 18.365 0.601 18167 17498 1 19 . 1 1 12 12 ALA H H 30 8.247 8.247 7.919 0.328 18167 17499 1 19 . 1 1 13 13 SER N N 31 113.949 113.949 113.194 0.755 18167 17500 1 19 . 1 1 13 13 SER HA H 31 4.392 4.392 4.518 -0.126 18167 17501 1 19 . 1 1 13 13 SER C C 31 173.644 173.644 173.066 0.578 18167 17502 1 19 . 1 1 13 13 SER CA C 31 58.329 58.329 58.229 0.100 18167 17503 1 19 . 1 1 13 13 SER CB C 31 63.609 63.609 64.226 -0.617 18167 17504 1 19 . 1 1 13 13 SER H H 31 8.045 8.045 8.469 -0.424 18167 17505 1 19 . 1 1 14 14 LEU N N 32 122.240 122.240 122.057 0.183 18167 17506 1 19 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.469 0.076 18167 17507 1 19 . 1 1 14 14 LEU C C 32 176.001 176.001 176.145 -0.144 18167 17508 1 19 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.920 -0.043 18167 17509 1 19 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.581 0.664 18167 17510 1 19 . 1 1 14 14 LEU H H 32 7.749 7.749 7.755 -0.006 18167 17511 1 19 . 1 1 15 15 GLN N N 33 120.685 120.685 120.516 0.169 18167 17512 1 19 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.535 -0.153 18167 17513 1 19 . 1 1 15 15 GLN C C 33 172.944 172.944 173.470 -0.526 18167 17514 1 19 . 1 1 15 15 GLN CA C 33 53.461 53.461 54.190 -0.729 18167 17515 1 19 . 1 1 15 15 GLN CB C 33 30.743 30.743 33.119 -2.376 18167 17516 1 19 . 1 1 15 15 GLN H H 33 8.780 8.780 7.989 0.791 18167 17517 1 19 . 1 1 16 16 ARG N N 34 120.341 120.341 121.175 -0.834 18167 17518 1 19 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.579 0.325 18167 17519 1 19 . 1 1 16 16 ARG C C 34 175.846 175.846 174.781 1.065 18167 17520 1 19 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.901 0.799 18167 17521 1 19 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.857 -0.115 18167 17522 1 19 . 1 1 16 16 ARG H H 34 8.274 8.274 8.389 -0.115 18167 17523 1 19 . 1 1 17 17 TYR N N 35 128.733 128.733 126.869 1.864 18167 17524 1 19 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.624 -0.066 18167 17525 1 19 . 1 1 17 17 TYR C C 35 173.307 173.307 173.135 0.172 18167 17526 1 19 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.359 0.374 18167 17527 1 19 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.396 0.187 18167 17528 1 19 . 1 1 17 17 TYR H H 35 9.104 9.104 8.343 0.761 18167 17529 1 19 . 1 1 18 18 SER N N 36 119.150 119.150 120.528 -1.378 18167 17530 1 19 . 1 1 18 18 SER HA H 36 4.786 4.786 4.947 -0.161 18167 17531 1 19 . 1 1 18 18 SER C C 36 172.002 172.002 172.506 -0.504 18167 17532 1 19 . 1 1 18 18 SER CA C 36 56.341 56.341 56.322 0.019 18167 17533 1 19 . 1 1 18 18 SER CB C 36 65.327 65.327 66.266 -0.939 18167 17534 1 19 . 1 1 18 18 SER H H 36 7.398 7.398 7.694 -0.296 18167 17535 1 19 . 1 1 19 19 ASP N N 37 124.935 124.935 121.000 3.935 18167 17536 1 19 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.959 -0.288 18167 17537 1 19 . 1 1 19 19 ASP C C 37 176.089 176.089 176.610 -0.521 18167 17538 1 19 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.862 -1.053 18167 17539 1 19 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.663 -1.198 18167 17540 1 19 . 1 1 19 19 ASP H H 37 8.607 8.607 8.589 0.018 18167 17541 1 19 . 1 1 20 20 THR N N 38 117.032 117.032 120.791 -3.759 18167 17542 1 19 . 1 1 20 20 THR HA H 38 4.316 4.316 3.884 0.432 18167 17543 1 19 . 1 1 20 20 THR C C 38 175.794 175.794 175.763 0.031 18167 17544 1 19 . 1 1 20 20 THR CA C 38 63.123 63.123 65.318 -2.195 18167 17545 1 19 . 1 1 20 20 THR CB C 38 68.905 68.905 69.233 -0.328 18167 17546 1 19 . 1 1 20 20 THR H H 38 8.470 8.470 8.406 0.064 18167 17547 1 19 . 1 1 21 21 LYS N N 39 124.893 124.893 120.814 4.079 18167 17548 1 19 . 1 1 21 21 LYS HA H 39 4.189 4.189 3.982 0.207 18167 17549 1 19 . 1 1 21 21 LYS C C 39 177.678 177.678 177.454 0.224 18167 17550 1 19 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.418 -0.623 18167 17551 1 19 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.633 -0.965 18167 17552 1 19 . 1 1 21 21 LYS H H 39 8.201 8.201 7.779 0.422 18167 17553 1 19 . 1 1 22 22 ASP N N 40 118.183 118.183 115.229 2.954 18167 17554 1 19 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.576 0.245 18167 17555 1 19 . 1 1 22 22 ASP C C 40 176.752 176.752 177.217 -0.465 18167 17556 1 19 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.421 0.458 18167 17557 1 19 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.868 1.001 18167 17558 1 19 . 1 1 22 22 ASP H H 40 8.480 8.480 8.473 0.007 18167 17559 1 19 . 1 1 23 23 GLY N N 41 108.978 108.978 107.302 1.676 18167 17560 1 19 . 1 1 23 23 GLY C C 41 172.396 172.396 173.224 -0.828 18167 17561 1 19 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.658 1.458 18167 17562 1 19 . 1 1 23 23 GLY H H 41 7.421 7.421 8.439 -1.018 18167 17563 1 19 . 1 1 24 24 TYR N N 42 112.046 112.046 116.444 -4.398 18167 17564 1 19 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.883 -0.489 18167 17565 1 19 . 1 1 24 24 TYR C C 42 173.028 173.028 173.056 -0.028 18167 17566 1 19 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.492 1.340 18167 17567 1 19 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.929 -0.075 18167 17568 1 19 . 1 1 24 24 TYR H H 42 7.506 7.506 7.828 -0.322 18167 17569 1 19 . 1 1 25 25 GLU N N 43 117.470 117.470 119.218 -1.748 18167 17570 1 19 . 1 1 25 25 GLU HA H 43 5.468 5.468 4.988 0.480 18167 17571 1 19 . 1 1 25 25 GLU C C 43 173.311 173.311 174.336 -1.025 18167 17572 1 19 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.270 -1.039 18167 17573 1 19 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.538 0.087 18167 17574 1 19 . 1 1 25 25 GLU H H 43 8.934 8.934 8.770 0.164 18167 17575 1 19 . 1 1 26 26 PHE N N 44 112.795 112.795 115.753 -2.958 18167 17576 1 19 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.099 -0.257 18167 17577 1 19 . 1 1 26 26 PHE C C 44 172.776 172.776 173.151 -0.375 18167 17578 1 19 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.734 -0.118 18167 17579 1 19 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.674 -1.225 18167 17580 1 19 . 1 1 26 26 PHE H H 44 8.532 8.532 8.247 0.285 18167 17581 1 19 . 1 1 27 27 LEU N N 45 119.784 119.784 121.797 -2.013 18167 17582 1 19 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.016 0.504 18167 17583 1 19 . 1 1 27 27 LEU C C 45 174.965 174.965 176.888 -1.923 18167 17584 1 19 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.995 -1.221 18167 17585 1 19 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.476 1.174 18167 17586 1 19 . 1 1 27 27 LEU H H 45 9.241 9.241 8.834 0.407 18167 17587 1 19 . 1 1 28 28 TYR N N 46 113.008 113.008 117.952 -4.944 18167 17588 1 19 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.589 0.324 18167 17589 1 19 . 1 1 28 28 TYR C C 46 171.354 171.354 172.033 -0.679 18167 17590 1 19 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.981 -0.224 18167 17591 1 19 . 1 1 28 28 TYR CB C 46 38.147 38.147 37.737 0.410 18167 17592 1 19 . 1 1 28 28 TYR H H 46 8.951 8.951 8.368 0.583 18167 17593 1 19 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.321 -0.314 18167 17594 1 19 . 1 1 29 29 PRO C C 47 176.165 176.165 176.280 -0.115 18167 17595 1 19 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.116 1.202 18167 17596 1 19 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.593 -1.253 18167 17597 1 19 . 1 1 30 30 ASN N N 48 119.923 119.923 119.216 0.707 18167 17598 1 19 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.273 -0.010 18167 17599 1 19 . 1 1 30 30 ASN C C 48 176.347 176.347 176.472 -0.125 18167 17600 1 19 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.390 1.811 18167 17601 1 19 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.754 0.834 18167 17602 1 19 . 1 1 30 30 ASN H H 48 8.163 8.163 8.536 -0.373 18167 17603 1 19 . 1 1 31 31 GLY N N 49 111.442 111.442 106.779 4.663 18167 17604 1 19 . 1 1 31 31 GLY C C 49 174.985 174.985 174.434 0.551 18167 17605 1 19 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.282 0.110 18167 17606 1 19 . 1 1 31 31 GLY H H 49 8.702 8.702 8.707 -0.005 18167 17607 1 19 . 1 1 32 32 TRP N N 50 122.100 122.100 120.792 1.308 18167 17608 1 19 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.344 -0.002 18167 17609 1 19 . 1 1 32 32 TRP C C 50 176.370 176.370 177.545 -1.175 18167 17610 1 19 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.351 0.942 18167 17611 1 19 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.097 0.007 18167 17612 1 19 . 1 1 32 32 TRP H H 50 8.008 8.008 7.742 0.266 18167 17613 1 19 . 1 1 33 33 ILE N N 51 117.163 117.163 119.665 -2.502 18167 17614 1 19 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.835 0.120 18167 17615 1 19 . 1 1 33 33 ILE C C 51 175.549 175.549 175.168 0.381 18167 17616 1 19 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.959 -0.731 18167 17617 1 19 . 1 1 33 33 ILE CB C 51 42.089 42.089 40.542 1.547 18167 17618 1 19 . 1 1 33 33 ILE H H 51 9.249 9.249 8.620 0.629 18167 17619 1 19 . 1 1 34 34 GLY N N 52 111.812 111.812 112.317 -0.505 18167 17620 1 19 . 1 1 34 34 GLY C C 52 173.956 173.956 174.038 -0.082 18167 17621 1 19 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.080 1.324 18167 17622 1 19 . 1 1 34 34 GLY H H 52 8.787 8.787 8.494 0.293 18167 17623 1 19 . 1 1 35 35 VAL N N 53 122.174 122.174 125.954 -3.780 18167 17624 1 19 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.283 -0.139 18167 17625 1 19 . 1 1 35 35 VAL C C 53 174.921 174.921 175.198 -0.277 18167 17626 1 19 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.385 0.272 18167 17627 1 19 . 1 1 35 35 VAL CB C 53 34.040 34.040 33.712 0.329 18167 17628 1 19 . 1 1 35 35 VAL H H 53 7.763 7.763 8.421 -0.658 18167 17629 1 19 . 1 1 36 36 ASP N N 54 125.424 125.424 125.373 0.051 18167 17630 1 19 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.591 -0.002 18167 17631 1 19 . 1 1 36 36 ASP C C 54 176.890 176.890 175.815 1.075 18167 17632 1 19 . 1 1 36 36 ASP CA C 54 54.450 54.450 53.434 1.016 18167 17633 1 19 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.462 -0.289 18167 17634 1 19 . 1 1 36 36 ASP H H 54 8.425 8.425 8.528 -0.103 18167 17635 1 19 . 1 1 37 37 VAL N N 55 120.335 120.335 113.848 6.487 18167 17636 1 19 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.348 -0.180 18167 17637 1 19 . 1 1 37 37 VAL C C 55 176.785 176.785 175.014 1.771 18167 17638 1 19 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.428 0.490 18167 17639 1 19 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.422 -0.632 18167 17640 1 19 . 1 1 37 37 VAL H H 55 8.215 8.215 8.312 -0.097 18167 17641 1 19 . 1 1 38 38 LYS N N 56 124.881 124.881 121.445 3.436 18167 17642 1 19 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.313 -0.111 18167 17643 1 19 . 1 1 38 38 LYS C C 56 177.828 177.828 177.776 0.052 18167 17644 1 19 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.510 0.493 18167 17645 1 19 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.321 -0.684 18167 17646 1 19 . 1 1 38 38 LYS H H 56 8.331 8.331 7.883 0.448 18167 17647 1 19 . 1 1 39 39 GLY N N 57 111.152 111.152 112.134 -0.982 18167 17648 1 19 . 1 1 39 39 GLY C C 57 174.253 174.253 174.026 0.227 18167 17649 1 19 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.772 0.588 18167 17650 1 19 . 1 1 39 39 GLY H H 57 8.651 8.651 8.953 -0.302 18167 17651 1 19 . 1 1 40 40 ALA N N 58 123.085 123.085 122.886 0.199 18167 17652 1 19 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.429 -0.046 18167 17653 1 19 . 1 1 40 40 ALA C C 58 177.125 177.125 176.631 0.494 18167 17654 1 19 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.309 1.045 18167 17655 1 19 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.688 -0.071 18167 17656 1 19 . 1 1 40 40 ALA H H 58 7.839 7.839 7.607 0.232 18167 17657 1 19 . 1 1 41 41 SER N N 59 115.088 115.088 116.150 -1.062 18167 17658 1 19 . 1 1 41 41 SER HA H 59 4.688 4.688 4.325 0.363 18167 17659 1 19 . 1 1 41 41 SER C C 59 171.885 171.885 172.915 -1.030 18167 17660 1 19 . 1 1 41 41 SER CA C 59 56.951 56.951 58.162 -1.211 18167 17661 1 19 . 1 1 41 41 SER CB C 59 63.123 63.123 62.205 0.919 18167 17662 1 19 . 1 1 41 41 SER H H 59 8.186 8.186 8.311 -0.125 18167 17663 1 19 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.178 0.171 18167 17664 1 19 . 1 1 42 42 PRO C C 60 177.660 177.660 177.851 -0.191 18167 17665 1 19 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.269 -0.044 18167 17666 1 19 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.880 -0.339 18167 17667 1 19 . 1 1 43 43 GLY N N 61 111.997 111.997 110.044 1.953 18167 17668 1 19 . 1 1 43 43 GLY C C 61 174.070 174.070 174.192 -0.122 18167 17669 1 19 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.875 0.739 18167 17670 1 19 . 1 1 43 43 GLY H H 61 8.730 8.730 8.502 0.228 18167 17671 1 19 . 1 1 44 44 VAL N N 62 120.539 120.539 122.480 -1.941 18167 17672 1 19 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.750 0.527 18167 17673 1 19 . 1 1 44 44 VAL C C 62 175.277 175.277 175.178 0.099 18167 17674 1 19 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.748 -1.821 18167 17675 1 19 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.659 -0.104 18167 17676 1 19 . 1 1 44 44 VAL H H 62 7.573 7.573 7.708 -0.135 18167 17677 1 19 . 1 1 45 45 ASP N N 63 128.619 128.619 127.681 0.938 18167 17678 1 19 . 1 1 45 45 ASP HA H 63 4.907 4.907 5.002 -0.095 18167 17679 1 19 . 1 1 45 45 ASP C C 63 176.177 176.177 175.332 0.845 18167 17680 1 19 . 1 1 45 45 ASP CA C 63 55.855 55.855 56.087 -0.232 18167 17681 1 19 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.335 0.940 18167 17682 1 19 . 1 1 45 45 ASP H H 63 9.084 9.084 8.176 0.908 18167 17683 1 19 . 1 1 46 46 VAL N N 64 115.687 115.687 116.737 -1.050 18167 17684 1 19 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.350 -0.040 18167 17685 1 19 . 1 1 46 46 VAL C C 64 172.853 172.853 173.728 -0.875 18167 17686 1 19 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.529 0.642 18167 17687 1 19 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.572 0.336 18167 17688 1 19 . 1 1 46 46 VAL H H 64 7.314 7.314 7.459 -0.145 18167 17689 1 19 . 1 1 47 47 VAL N N 65 124.933 124.933 119.237 5.696 18167 17690 1 19 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.578 0.478 18167 17691 1 19 . 1 1 47 47 VAL C C 65 175.266 175.266 173.413 1.853 18167 17692 1 19 . 1 1 47 47 VAL CA C 65 61.082 61.082 59.416 1.665 18167 17693 1 19 . 1 1 47 47 VAL CB C 65 36.667 36.667 33.804 2.863 18167 17694 1 19 . 1 1 47 47 VAL H H 65 8.146 8.146 7.898 0.248 18167 17695 1 19 . 1 1 48 48 PHE N N 66 122.916 122.916 125.093 -2.177 18167 17696 1 19 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.418 0.073 18167 17697 1 19 . 1 1 48 48 PHE C C 66 174.371 174.371 174.999 -0.628 18167 17698 1 19 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.330 0.199 18167 17699 1 19 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.294 1.865 18167 17700 1 19 . 1 1 48 48 PHE H H 66 8.469 8.469 8.537 -0.068 18167 17701 1 19 . 1 1 49 49 ARG N N 67 116.381 116.381 120.743 -4.362 18167 17702 1 19 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.460 0.045 18167 17703 1 19 . 1 1 49 49 ARG C C 67 173.455 173.455 174.186 -0.731 18167 17704 1 19 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.498 -0.664 18167 17705 1 19 . 1 1 49 49 ARG CB C 67 34.898 34.898 33.854 1.044 18167 17706 1 19 . 1 1 49 49 ARG H H 67 9.271 9.271 8.684 0.587 18167 17707 1 19 . 1 1 50 50 ASP N N 68 121.066 121.066 122.835 -1.769 18167 17708 1 19 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.480 -0.429 18167 17709 1 19 . 1 1 50 50 ASP C C 68 176.670 176.670 176.550 0.120 18167 17710 1 19 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.238 1.378 18167 17711 1 19 . 1 1 50 50 ASP CB C 68 42.901 42.901 40.856 2.045 18167 17712 1 19 . 1 1 50 50 ASP H H 68 7.165 7.165 8.003 -0.838 18167 17713 1 19 . 1 1 51 51 LEU N N 69 124.078 124.078 124.043 0.035 18167 17714 1 19 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.019 0.006 18167 17715 1 19 . 1 1 51 51 LEU C C 69 177.463 177.463 178.320 -0.857 18167 17716 1 19 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.596 -0.188 18167 17717 1 19 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.019 1.130 18167 17718 1 19 . 1 1 51 51 LEU H H 69 8.314 8.314 7.926 0.388 18167 17719 1 19 . 1 1 52 52 ILE N N 70 118.341 118.341 116.247 2.094 18167 17720 1 19 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.937 0.136 18167 17721 1 19 . 1 1 52 52 ILE C C 70 177.093 177.093 176.759 0.334 18167 17722 1 19 . 1 1 52 52 ILE CA C 70 61.858 61.858 62.773 -0.915 18167 17723 1 19 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.452 1.168 18167 17724 1 19 . 1 1 52 52 ILE H H 70 8.178 8.178 8.020 0.158 18167 17725 1 19 . 1 1 53 53 GLU N N 71 122.254 122.254 117.772 4.482 18167 17726 1 19 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.537 -0.153 18167 17727 1 19 . 1 1 53 53 GLU C C 71 176.084 176.084 176.119 -0.035 18167 17728 1 19 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.262 -0.454 18167 17729 1 19 . 1 1 53 53 GLU CB C 71 28.758 28.758 29.909 -1.151 18167 17730 1 19 . 1 1 53 53 GLU H H 71 8.974 8.974 8.157 0.817 18167 17731 1 19 . 1 1 54 54 ARG N N 72 121.414 121.414 123.211 -1.797 18167 17732 1 19 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.158 -0.176 18167 17733 1 19 . 1 1 54 54 ARG C C 72 176.478 176.478 176.219 0.259 18167 17734 1 19 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.424 -0.184 18167 17735 1 19 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.212 -0.248 18167 17736 1 19 . 1 1 54 54 ARG H H 72 8.052 8.052 8.447 -0.395 18167 17737 1 19 . 1 1 55 55 ASP N N 73 117.425 117.425 119.245 -1.820 18167 17738 1 19 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.542 -0.091 18167 17739 1 19 . 1 1 55 55 ASP C C 73 173.783 173.783 176.188 -2.405 18167 17740 1 19 . 1 1 55 55 ASP CA C 73 55.074 55.074 56.213 -1.139 18167 17741 1 19 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.673 0.069 18167 17742 1 19 . 1 1 55 55 ASP H H 73 8.455 8.455 8.501 -0.046 18167 17743 1 19 . 1 1 56 56 GLU N N 74 124.050 124.050 120.120 3.930 18167 17744 1 19 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.775 0.724 18167 17745 1 19 . 1 1 56 56 GLU C C 74 174.110 174.110 175.014 -0.904 18167 17746 1 19 . 1 1 56 56 GLU CA C 74 56.478 56.478 55.986 0.492 18167 17747 1 19 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.813 1.633 18167 17748 1 19 . 1 1 56 56 GLU H H 74 7.773 7.773 7.418 0.355 18167 17749 1 19 . 1 1 57 57 ASN N N 75 119.794 119.794 123.783 -3.989 18167 17750 1 19 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.860 -0.097 18167 17751 1 19 . 1 1 57 57 ASN C C 75 171.893 171.893 173.002 -1.109 18167 17752 1 19 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.529 0.434 18167 17753 1 19 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.633 -0.264 18167 17754 1 19 . 1 1 57 57 ASN H H 75 8.891 8.891 8.843 0.048 18167 17755 1 19 . 1 1 58 58 LEU N N 76 116.438 116.438 124.687 -8.249 18167 17756 1 19 . 1 1 58 58 LEU HA H 76 5.341 5.341 4.710 0.631 18167 17757 1 19 . 1 1 58 58 LEU C C 76 174.630 174.630 174.873 -0.243 18167 17758 1 19 . 1 1 58 58 LEU CA C 76 52.828 52.828 52.864 -0.036 18167 17759 1 19 . 1 1 58 58 LEU CB C 76 45.879 45.879 44.535 1.344 18167 17760 1 19 . 1 1 58 58 LEU H H 76 9.166 9.166 8.418 0.748 18167 17761 1 19 . 1 1 59 59 SER N N 77 114.543 114.543 121.112 -6.569 18167 17762 1 19 . 1 1 59 59 SER HA H 77 5.432 5.432 4.756 0.676 18167 17763 1 19 . 1 1 59 59 SER C C 77 172.602 172.602 172.640 -0.038 18167 17764 1 19 . 1 1 59 59 SER CA C 77 56.593 56.593 56.824 -0.231 18167 17765 1 19 . 1 1 59 59 SER CB C 77 66.720 66.720 65.398 1.322 18167 17766 1 19 . 1 1 59 59 SER H H 77 8.352 8.352 9.099 -0.747 18167 17767 1 19 . 1 1 60 60 VAL N N 78 122.017 122.017 123.144 -1.127 18167 17768 1 19 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.440 0.529 18167 17769 1 19 . 1 1 60 60 VAL C C 78 174.861 174.861 174.419 0.442 18167 17770 1 19 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.743 0.441 18167 17771 1 19 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.562 -0.249 18167 17772 1 19 . 1 1 60 60 VAL H H 78 8.306 8.306 7.943 0.363 18167 17773 1 19 . 1 1 61 61 ILE N N 79 128.458 128.458 127.631 0.827 18167 17774 1 19 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.554 0.167 18167 17775 1 19 . 1 1 61 61 ILE C C 79 175.639 175.639 174.249 1.390 18167 17776 1 19 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.446 -0.202 18167 17777 1 19 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.034 1.252 18167 17778 1 19 . 1 1 61 61 ILE H H 79 9.193 9.193 8.019 1.174 18167 17779 1 19 . 1 1 62 62 ILE N N 80 129.957 129.957 127.494 2.463 18167 17780 1 19 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.099 -0.057 18167 17781 1 19 . 1 1 62 62 ILE C C 80 175.727 175.727 175.186 0.541 18167 17782 1 19 . 1 1 62 62 ILE CA C 80 60.158 60.158 58.197 1.961 18167 17783 1 19 . 1 1 62 62 ILE CB C 80 39.777 39.777 39.037 0.740 18167 17784 1 19 . 1 1 62 62 ILE H H 80 9.140 9.140 9.574 -0.434 18167 17785 1 19 . 1 1 63 63 SER N N 81 122.084 122.084 120.203 1.881 18167 17786 1 19 . 1 1 63 63 SER HA H 81 4.878 4.878 4.801 0.077 18167 17787 1 19 . 1 1 63 63 SER C C 81 172.933 172.933 172.418 0.515 18167 17788 1 19 . 1 1 63 63 SER CA C 81 56.689 56.689 57.520 -0.831 18167 17789 1 19 . 1 1 63 63 SER CB C 81 65.862 65.862 66.395 -0.533 18167 17790 1 19 . 1 1 63 63 SER H H 81 9.079 9.079 9.095 -0.016 18167 17791 1 19 . 1 1 64 64 GLU N N 82 121.983 121.983 121.513 0.470 18167 17792 1 19 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.581 0.011 18167 17793 1 19 . 1 1 64 64 GLU C C 82 176.501 176.501 176.137 0.364 18167 17794 1 19 . 1 1 64 64 GLU CA C 82 56.841 56.841 55.395 1.446 18167 17795 1 19 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.393 -0.883 18167 17796 1 19 . 1 1 64 64 GLU H H 82 8.664 8.664 8.533 0.131 18167 17797 1 19 . 1 1 65 65 ILE N N 83 121.194 121.194 120.104 1.090 18167 17798 1 19 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.629 -0.052 18167 17799 1 19 . 1 1 65 65 ILE C C 83 173.233 173.233 174.125 -0.892 18167 17800 1 19 . 1 1 65 65 ILE CA C 83 58.798 58.798 57.769 1.029 18167 17801 1 19 . 1 1 65 65 ILE CB C 83 39.488 39.488 38.060 1.428 18167 17802 1 19 . 1 1 65 65 ILE H H 83 8.271 8.271 8.029 0.242 18167 17803 1 19 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.578 -0.127 18167 17804 1 19 . 1 1 66 66 PRO C C 84 177.697 177.697 177.683 0.014 18167 17805 1 19 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.606 0.591 18167 17806 1 19 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.431 -0.366 18167 17807 1 19 . 1 1 67 67 SER N N 85 116.018 116.018 118.173 -2.155 18167 17808 1 19 . 1 1 67 67 SER HA H 85 4.149 4.149 4.173 -0.024 18167 17809 1 19 . 1 1 67 67 SER C C 85 174.387 174.387 174.915 -0.528 18167 17810 1 19 . 1 1 67 67 SER CA C 85 60.348 60.348 60.346 0.002 18167 17811 1 19 . 1 1 67 67 SER CB C 85 63.402 63.402 63.114 0.289 18167 17812 1 19 . 1 1 67 67 SER H H 85 8.465 8.465 8.509 -0.044 18167 17813 1 19 . 1 1 68 68 ASP N N 86 118.568 118.568 120.333 -1.765 18167 17814 1 19 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.599 -0.041 18167 17815 1 19 . 1 1 68 68 ASP C C 86 175.732 175.732 176.050 -0.318 18167 17816 1 19 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.257 -1.447 18167 17817 1 19 . 1 1 68 68 ASP CB C 86 40.218 40.218 40.872 -0.654 18167 17818 1 19 . 1 1 68 68 ASP H H 86 8.531 8.531 8.519 0.012 18167 17819 1 19 . 1 1 69 69 LYS N N 87 119.225 119.225 117.013 2.212 18167 17820 1 19 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.585 0.097 18167 17821 1 19 . 1 1 69 69 LYS C C 87 175.814 175.814 174.848 0.966 18167 17822 1 19 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.181 -0.320 18167 17823 1 19 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.849 -2.143 18167 17824 1 19 . 1 1 69 69 LYS H H 87 7.653 7.653 7.503 0.150 18167 17825 1 19 . 1 1 70 70 THR N N 88 113.175 113.175 113.352 -0.177 18167 17826 1 19 . 1 1 70 70 THR HA H 88 4.529 4.529 4.534 -0.005 18167 17827 1 19 . 1 1 70 70 THR C C 88 175.278 175.278 175.639 -0.361 18167 17828 1 19 . 1 1 70 70 THR CA C 88 60.699 60.699 59.797 0.902 18167 17829 1 19 . 1 1 70 70 THR CB C 88 70.710 70.710 71.041 -0.331 18167 17830 1 19 . 1 1 70 70 THR H H 88 8.608 8.608 8.138 0.470 18167 17831 1 19 . 1 1 71 71 LEU N N 89 121.978 121.978 123.016 -1.038 18167 17832 1 19 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.972 -0.035 18167 17833 1 19 . 1 1 71 71 LEU C C 89 177.698 177.698 177.813 -0.115 18167 17834 1 19 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.493 -0.729 18167 17835 1 19 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.869 0.626 18167 17836 1 19 . 1 1 71 71 LEU H H 89 7.998 7.998 8.865 -0.867 18167 17837 1 19 . 1 1 72 72 THR N N 90 106.680 106.680 108.255 -1.575 18167 17838 1 19 . 1 1 72 72 THR HA H 90 4.221 4.221 4.070 0.151 18167 17839 1 19 . 1 1 72 72 THR C C 90 176.248 176.248 175.490 0.758 18167 17840 1 19 . 1 1 72 72 THR CA C 90 63.648 63.648 64.740 -1.093 18167 17841 1 19 . 1 1 72 72 THR CB C 90 68.620 68.620 68.489 0.131 18167 17842 1 19 . 1 1 72 72 THR H H 90 7.798 7.798 7.941 -0.143 18167 17843 1 19 . 1 1 73 73 ASP N N 91 120.626 120.626 120.937 -0.311 18167 17844 1 19 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.538 0.072 18167 17845 1 19 . 1 1 73 73 ASP C C 91 177.133 177.133 177.849 -0.716 18167 17846 1 19 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.662 -0.061 18167 17847 1 19 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.582 1.091 18167 17848 1 19 . 1 1 73 73 ASP H H 91 7.805 7.805 8.255 -0.450 18167 17849 1 19 . 1 1 74 74 LEU N N 92 120.238 120.238 119.917 0.321 18167 17850 1 19 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.007 0.214 18167 17851 1 19 . 1 1 74 74 LEU C C 92 176.907 176.907 176.218 0.689 18167 17852 1 19 . 1 1 74 74 LEU CA C 92 55.643 55.643 57.044 -1.401 18167 17853 1 19 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.769 -1.445 18167 17854 1 19 . 1 1 74 74 LEU H H 92 8.182 8.182 8.251 -0.069 18167 17855 1 19 . 1 1 75 75 GLY N N 93 105.772 105.772 100.786 4.986 18167 17856 1 19 . 1 1 75 75 GLY C C 93 173.853 173.853 172.139 1.714 18167 17857 1 19 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.739 -0.711 18167 17858 1 19 . 1 1 75 75 GLY H H 93 7.713 7.713 7.416 0.297 18167 17859 1 19 . 1 1 76 76 THR N N 94 111.354 111.354 109.731 1.623 18167 17860 1 19 . 1 1 76 76 THR HA H 94 4.426 4.426 4.752 -0.326 18167 17861 1 19 . 1 1 76 76 THR C C 94 174.396 174.396 175.880 -1.484 18167 17862 1 19 . 1 1 76 76 THR CA C 94 61.220 61.220 59.724 1.496 18167 17863 1 19 . 1 1 76 76 THR CB C 94 71.400 71.400 72.012 -0.612 18167 17864 1 19 . 1 1 76 76 THR H H 94 8.842 8.842 8.265 0.577 18167 17865 1 19 . 1 1 77 77 ALA N N 95 122.586 122.586 123.793 -1.207 18167 17866 1 19 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.882 -0.556 18167 17867 1 19 . 1 1 77 77 ALA C C 95 179.120 179.120 179.380 -0.260 18167 17868 1 19 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.490 0.134 18167 17869 1 19 . 1 1 77 77 ALA CB C 95 16.979 16.979 18.159 -1.180 18167 17870 1 19 . 1 1 77 77 ALA H H 95 8.861 8.861 8.892 -0.031 18167 17871 1 19 . 1 1 78 78 THR N N 96 110.298 110.298 114.915 -4.617 18167 17872 1 19 . 1 1 78 78 THR HA H 96 3.479 3.479 3.928 -0.449 18167 17873 1 19 . 1 1 78 78 THR C C 96 175.297 175.297 176.567 -1.270 18167 17874 1 19 . 1 1 78 78 THR CA C 96 66.314 66.314 66.184 0.130 18167 17875 1 19 . 1 1 78 78 THR CB C 96 68.335 68.335 68.572 -0.237 18167 17876 1 19 . 1 1 78 78 THR H H 96 7.757 7.757 7.767 -0.010 18167 17877 1 19 . 1 1 79 79 ASP N N 97 122.829 122.829 122.449 0.380 18167 17878 1 19 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.609 -0.197 18167 17879 1 19 . 1 1 79 79 ASP C C 97 179.693 179.693 178.631 1.062 18167 17880 1 19 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.263 0.731 18167 17881 1 19 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.854 -0.323 18167 17882 1 19 . 1 1 79 79 ASP H H 97 7.448 7.448 8.139 -0.691 18167 17883 1 19 . 1 1 80 80 VAL N N 98 121.175 121.175 119.083 2.092 18167 17884 1 19 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.684 -0.202 18167 17885 1 19 . 1 1 80 80 VAL C C 98 178.667 178.667 178.079 0.588 18167 17886 1 19 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.517 0.039 18167 17887 1 19 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.709 -0.202 18167 17888 1 19 . 1 1 80 80 VAL H H 98 8.390 8.390 8.762 -0.372 18167 17889 1 19 . 1 1 81 81 GLY N N 99 108.920 108.920 108.074 0.846 18167 17890 1 19 . 1 1 81 81 GLY C C 99 175.133 175.133 176.062 -0.929 18167 17891 1 19 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.366 1.684 18167 17892 1 19 . 1 1 81 81 GLY H H 99 8.630 8.630 7.911 0.719 18167 17893 1 19 . 1 1 82 82 TYR N N 100 121.598 121.598 122.069 -0.471 18167 17894 1 19 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.271 0.057 18167 17895 1 19 . 1 1 82 82 TYR C C 100 179.383 179.383 178.494 0.889 18167 17896 1 19 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.552 0.187 18167 17897 1 19 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.157 -1.058 18167 17898 1 19 . 1 1 82 82 TYR H H 100 8.880 8.880 7.998 0.882 18167 17899 1 19 . 1 1 83 83 ARG N N 101 121.436 121.436 119.322 2.114 18167 17900 1 19 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.988 0.099 18167 17901 1 19 . 1 1 83 83 ARG C C 101 178.906 178.906 178.741 0.165 18167 17902 1 19 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.751 -0.204 18167 17903 1 19 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.063 -0.440 18167 17904 1 19 . 1 1 83 83 ARG H H 101 8.102 8.102 8.249 -0.147 18167 17905 1 19 . 1 1 84 84 PHE N N 102 121.581 121.581 122.229 -0.648 18167 17906 1 19 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.216 0.171 18167 17907 1 19 . 1 1 84 84 PHE C C 102 177.731 177.731 176.996 0.735 18167 17908 1 19 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.248 -1.242 18167 17909 1 19 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.059 -0.818 18167 17910 1 19 . 1 1 84 84 PHE H H 102 8.511 8.511 8.720 -0.209 18167 17911 1 19 . 1 1 85 85 MET N N 103 117.909 117.909 118.047 -0.138 18167 17912 1 19 . 1 1 85 85 MET HA H 103 3.850 3.850 3.793 0.057 18167 17913 1 19 . 1 1 85 85 MET C C 103 178.063 178.063 178.316 -0.253 18167 17914 1 19 . 1 1 85 85 MET CA C 103 57.352 57.352 57.447 -0.095 18167 17915 1 19 . 1 1 85 85 MET CB C 103 33.654 33.654 31.109 2.545 18167 17916 1 19 . 1 1 85 85 MET H H 103 8.350 8.350 7.881 0.469 18167 17917 1 19 . 1 1 86 86 LYS N N 104 118.874 118.874 120.408 -1.534 18167 17918 1 19 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.934 0.070 18167 17919 1 19 . 1 1 86 86 LYS C C 104 177.910 177.910 178.852 -0.942 18167 17920 1 19 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.882 -0.434 18167 17921 1 19 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.378 -0.693 18167 17922 1 19 . 1 1 86 86 LYS H H 104 7.578 7.578 7.808 -0.230 18167 17923 1 19 . 1 1 87 87 THR N N 105 114.567 114.567 116.299 -1.732 18167 17924 1 19 . 1 1 87 87 THR HA H 105 3.949 3.949 3.895 0.054 18167 17925 1 19 . 1 1 87 87 THR C C 105 176.912 176.912 176.519 0.393 18167 17926 1 19 . 1 1 87 87 THR CA C 105 66.108 66.108 66.822 -0.714 18167 17927 1 19 . 1 1 87 87 THR CB C 105 68.909 68.909 68.671 0.238 18167 17928 1 19 . 1 1 87 87 THR H H 105 7.667 7.667 7.903 -0.236 18167 17929 1 19 . 1 1 88 88 VAL N N 106 122.160 122.160 119.596 2.564 18167 17930 1 19 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.456 0.035 18167 17931 1 19 . 1 1 88 88 VAL C C 106 178.950 178.950 178.132 0.818 18167 17932 1 19 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.542 0.282 18167 17933 1 19 . 1 1 88 88 VAL CB C 106 31.509 31.509 30.857 0.652 18167 17934 1 19 . 1 1 88 88 VAL H H 106 7.600 7.600 7.858 -0.258 18167 17935 1 19 . 1 1 89 89 ASN N N 107 120.741 120.741 119.105 1.636 18167 17936 1 19 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.360 0.130 18167 17937 1 19 . 1 1 89 89 ASN C C 107 178.483 178.483 176.968 1.515 18167 17938 1 19 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.636 0.306 18167 17939 1 19 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.640 0.250 18167 17940 1 19 . 1 1 89 89 ASN H H 107 8.501 8.501 8.424 0.077 18167 17941 1 19 . 1 1 90 90 ASP N N 108 121.211 121.211 119.940 1.271 18167 17942 1 19 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.317 0.163 18167 17943 1 19 . 1 1 90 90 ASP C C 108 177.598 177.598 177.019 0.579 18167 17944 1 19 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.876 -0.509 18167 17945 1 19 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.587 -0.345 18167 17946 1 19 . 1 1 90 90 ASP H H 108 8.824 8.824 8.377 0.447 18167 17947 1 19 . 1 1 91 91 ALA N N 109 121.181 121.181 120.353 0.828 18167 17948 1 19 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.254 0.138 18167 17949 1 19 . 1 1 91 91 ALA C C 109 177.936 177.936 178.411 -0.475 18167 17950 1 19 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.917 -1.225 18167 17951 1 19 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.214 -0.325 18167 17952 1 19 . 1 1 91 91 ALA H H 109 7.507 7.507 7.443 0.064 18167 17953 1 19 . 1 1 92 92 SER N N 110 113.785 113.785 112.978 0.807 18167 17954 1 19 . 1 1 92 92 SER HA H 110 4.537 4.537 4.677 -0.140 18167 17955 1 19 . 1 1 92 92 SER C C 110 174.252 174.252 175.399 -1.147 18167 17956 1 19 . 1 1 92 92 SER CA C 110 58.565 58.565 57.557 1.008 18167 17957 1 19 . 1 1 92 92 SER CB C 110 64.795 64.795 64.234 0.561 18167 17958 1 19 . 1 1 92 92 SER H H 110 7.611 7.611 7.732 -0.121 18167 17959 1 19 . 1 1 93 93 GLN N N 111 119.994 119.994 121.641 -1.647 18167 17960 1 19 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.231 0.192 18167 17961 1 19 . 1 1 93 93 GLN C C 111 176.441 176.441 177.335 -0.894 18167 17962 1 19 . 1 1 93 93 GLN CA C 111 55.792 55.792 57.605 -1.813 18167 17963 1 19 . 1 1 93 93 GLN CB C 111 28.843 28.843 27.855 0.988 18167 17964 1 19 . 1 1 93 93 GLN H H 111 8.414 8.414 8.264 0.150 18167 17965 1 19 . 1 1 94 94 GLY N N 112 107.948 107.948 108.674 -0.726 18167 17966 1 19 . 1 1 94 94 GLY C C 112 174.406 174.406 174.853 -0.447 18167 17967 1 19 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.428 -0.486 18167 17968 1 19 . 1 1 94 94 GLY H H 112 8.467 8.467 8.385 0.082 18167 17969 1 19 . 1 1 95 95 ASP N N 113 119.500 119.500 119.277 0.223 18167 17970 1 19 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.741 -0.185 18167 17971 1 19 . 1 1 95 95 ASP C C 113 175.438 175.438 175.587 -0.149 18167 17972 1 19 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.700 -0.020 18167 17973 1 19 . 1 1 95 95 ASP CB C 113 40.194 40.194 42.438 -2.244 18167 17974 1 19 . 1 1 95 95 ASP H H 113 8.423 8.423 7.887 0.536 18167 17975 1 19 . 1 1 96 96 ARG N N 114 118.992 118.992 122.029 -3.037 18167 17976 1 19 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.489 0.572 18167 17977 1 19 . 1 1 96 96 ARG C C 114 175.699 175.699 174.241 1.458 18167 17978 1 19 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.073 -1.030 18167 17979 1 19 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.492 1.148 18167 17980 1 19 . 1 1 96 96 ARG H H 114 7.507 7.507 7.567 -0.060 18167 17981 1 19 . 1 1 97 97 GLN N N 115 121.149 121.149 123.223 -2.074 18167 17982 1 19 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.655 0.014 18167 17983 1 19 . 1 1 97 97 GLN C C 115 173.696 173.696 173.681 0.015 18167 17984 1 19 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.276 0.281 18167 17985 1 19 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.879 -1.806 18167 17986 1 19 . 1 1 97 97 GLN H H 115 8.814 8.814 8.424 0.390 18167 17987 1 19 . 1 1 98 98 ALA N N 116 129.789 129.789 124.417 5.372 18167 17988 1 19 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.149 0.167 18167 17989 1 19 . 1 1 98 98 ALA C C 116 176.503 176.503 176.113 0.390 18167 17990 1 19 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.302 0.512 18167 17991 1 19 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.768 0.274 18167 17992 1 19 . 1 1 98 98 ALA H H 116 9.836 9.836 8.564 1.272 18167 17993 1 19 . 1 1 99 99 GLU N N 117 122.780 122.780 123.067 -0.287 18167 17994 1 19 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.652 -0.049 18167 17995 1 19 . 1 1 99 99 GLU C C 117 174.361 174.361 175.086 -0.725 18167 17996 1 19 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.629 -0.309 18167 17997 1 19 . 1 1 99 99 GLU CB C 117 33.312 33.312 33.052 0.260 18167 17998 1 19 . 1 1 99 99 GLU H H 117 9.252 9.252 8.969 0.283 18167 17999 1 19 . 1 1 100 100 LEU N N 118 127.043 127.043 128.238 -1.195 18167 18000 1 19 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.446 -0.139 18167 18001 1 19 . 1 1 100 100 LEU C C 118 176.338 176.338 176.238 0.100 18167 18002 1 19 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.454 0.068 18167 18003 1 19 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.388 0.253 18167 18004 1 19 . 1 1 100 100 LEU H H 118 8.765 8.765 8.828 -0.063 18167 18005 1 19 . 1 1 101 101 ILE N N 119 128.101 128.101 128.380 -0.279 18167 18006 1 19 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.946 0.150 18167 18007 1 19 . 1 1 101 101 ILE C C 119 175.634 175.634 176.352 -0.718 18167 18008 1 19 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.117 -0.714 18167 18009 1 19 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.626 0.432 18167 18010 1 19 . 1 1 101 101 ILE H H 119 9.244 9.244 8.674 0.570 18167 18011 1 19 . 1 1 102 102 ASN N N 120 114.715 114.715 116.474 -1.759 18167 18012 1 19 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.830 0.125 18167 18013 1 19 . 1 1 102 102 ASN C C 120 172.326 172.326 172.545 -0.219 18167 18014 1 19 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.427 0.946 18167 18015 1 19 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.953 1.934 18167 18016 1 19 . 1 1 102 102 ASN H H 120 7.989 7.989 7.923 0.066 18167 18017 1 19 . 1 1 103 103 ALA N N 121 125.011 125.011 121.781 3.230 18167 18018 1 19 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.008 0.449 18167 18019 1 19 . 1 1 103 103 ALA C C 121 175.068 175.068 175.471 -0.403 18167 18020 1 19 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.584 -0.225 18167 18021 1 19 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.687 0.722 18167 18022 1 19 . 1 1 103 103 ALA H H 121 8.182 8.182 8.341 -0.159 18167 18023 1 19 . 1 1 104 104 GLU N N 122 121.148 121.148 119.596 1.552 18167 18024 1 19 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.553 0.142 18167 18025 1 19 . 1 1 104 104 GLU C C 122 173.666 173.666 174.116 -0.450 18167 18026 1 19 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.908 0.185 18167 18027 1 19 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.614 -0.104 18167 18028 1 19 . 1 1 104 104 GLU H H 122 8.817 8.817 8.541 0.276 18167 18029 1 19 . 1 1 105 105 ALA N N 123 124.441 124.441 123.700 0.741 18167 18030 1 19 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.470 0.057 18167 18031 1 19 . 1 1 105 105 ALA C C 123 176.479 176.479 176.577 -0.098 18167 18032 1 19 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.801 0.330 18167 18033 1 19 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.782 1.069 18167 18034 1 19 . 1 1 105 105 ALA H H 123 8.860 8.860 8.420 0.440 18167 18035 1 19 . 1 1 106 106 ARG N N 124 120.892 120.892 120.600 0.292 18167 18036 1 19 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.696 0.127 18167 18037 1 19 . 1 1 106 106 ARG C C 124 172.820 172.820 174.340 -1.520 18167 18038 1 19 . 1 1 106 106 ARG CA C 124 54.772 54.772 55.286 -0.514 18167 18039 1 19 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.697 -1.427 18167 18040 1 19 . 1 1 106 106 ARG H H 124 9.209 9.209 9.021 0.188 18167 18041 1 19 . 1 1 107 107 ASP N N 125 122.706 122.706 122.887 -0.181 18167 18042 1 19 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.555 -0.316 18167 18043 1 19 . 1 1 107 107 ASP C C 125 176.097 176.097 175.543 0.554 18167 18044 1 19 . 1 1 107 107 ASP CA C 125 52.944 52.944 52.936 0.008 18167 18045 1 19 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.155 0.983 18167 18046 1 19 . 1 1 107 107 ASP H H 125 8.633 8.633 8.659 -0.026 18167 18047 1 19 . 1 1 108 108 GLU N N 126 126.120 126.120 125.448 0.672 18167 18048 1 19 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.702 0.003 18167 18049 1 19 . 1 1 108 108 GLU C C 126 175.768 175.768 176.329 -0.561 18167 18050 1 19 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.174 -0.157 18167 18051 1 19 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.760 -3.336 18167 18052 1 19 . 1 1 108 108 GLU H H 126 9.152 9.152 9.242 -0.090 18167 18053 1 19 . 1 1 109 109 ASP N N 127 126.277 126.277 122.641 3.636 18167 18054 1 19 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.379 -0.025 18167 18055 1 19 . 1 1 109 109 ASP C C 127 175.414 175.414 176.604 -1.190 18167 18056 1 19 . 1 1 109 109 ASP CA C 127 55.390 55.390 55.036 0.354 18167 18057 1 19 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.392 0.850 18167 18058 1 19 . 1 1 109 109 ASP H H 127 9.067 9.067 9.067 0.000 18167 18059 1 19 . 1 1 110 110 GLY N N 128 106.859 106.859 102.826 4.033 18167 18060 1 19 . 1 1 110 110 GLY C C 128 173.761 173.761 173.919 -0.158 18167 18061 1 19 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.321 -0.079 18167 18062 1 19 . 1 1 110 110 GLY H H 128 9.008 9.008 8.327 0.681 18167 18063 1 19 . 1 1 111 111 GLN N N 129 123.033 123.033 120.351 2.682 18167 18064 1 19 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.521 -0.138 18167 18065 1 19 . 1 1 111 111 GLN C C 129 173.901 173.901 174.284 -0.383 18167 18066 1 19 . 1 1 111 111 GLN CA C 129 53.936 53.936 53.881 0.055 18167 18067 1 19 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.354 -1.171 18167 18068 1 19 . 1 1 111 111 GLN H H 129 7.825 7.825 8.156 -0.331 18167 18069 1 19 . 1 1 112 112 VAL N N 130 128.263 128.263 125.959 2.304 18167 18070 1 19 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.819 0.053 18167 18071 1 19 . 1 1 112 112 VAL C C 130 175.591 175.591 175.173 0.418 18167 18072 1 19 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.038 1.065 18167 18073 1 19 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.694 -0.321 18167 18074 1 19 . 1 1 112 112 VAL H H 130 8.330 8.330 8.345 -0.015 18167 18075 1 19 . 1 1 113 113 TYR N N 131 126.702 126.702 126.203 0.499 18167 18076 1 19 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.974 0.076 18167 18077 1 19 . 1 1 113 113 TYR C C 131 175.477 175.477 174.956 0.521 18167 18078 1 19 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.485 -0.062 18167 18079 1 19 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.719 0.770 18167 18080 1 19 . 1 1 113 113 TYR H H 131 9.136 9.136 9.380 -0.244 18167 18081 1 19 . 1 1 114 114 TYR N N 132 121.626 121.626 124.933 -3.307 18167 18082 1 19 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.213 0.617 18167 18083 1 19 . 1 1 114 114 TYR C C 132 175.368 175.368 175.604 -0.236 18167 18084 1 19 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.683 -1.615 18167 18085 1 19 . 1 1 114 114 TYR CB C 132 39.317 39.317 39.643 -0.326 18167 18086 1 19 . 1 1 114 114 TYR H H 132 9.577 9.577 9.713 -0.136 18167 18087 1 19 . 1 1 115 115 THR N N 133 120.018 120.018 121.591 -1.573 18167 18088 1 19 . 1 1 115 115 THR HA H 133 5.486 5.486 4.595 0.891 18167 18089 1 19 . 1 1 115 115 THR C C 133 174.327 174.327 172.982 1.345 18167 18090 1 19 . 1 1 115 115 THR CA C 133 61.648 61.648 62.946 -1.298 18167 18091 1 19 . 1 1 115 115 THR CB C 133 69.622 69.622 69.805 -0.183 18167 18092 1 19 . 1 1 115 115 THR H H 133 9.351 9.351 9.342 0.009 18167 18093 1 19 . 1 1 116 116 LEU N N 134 127.249 127.249 128.295 -1.046 18167 18094 1 19 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.799 0.496 18167 18095 1 19 . 1 1 116 116 LEU C C 134 174.347 174.347 174.277 0.070 18167 18096 1 19 . 1 1 116 116 LEU CA C 134 52.628 52.628 53.742 -1.114 18167 18097 1 19 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.795 -0.260 18167 18098 1 19 . 1 1 116 116 LEU H H 134 10.010 10.010 9.241 0.769 18167 18099 1 19 . 1 1 117 117 GLU N N 135 124.969 124.969 127.811 -2.842 18167 18100 1 19 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.719 0.859 18167 18101 1 19 . 1 1 117 117 GLU C C 135 175.635 175.635 174.949 0.686 18167 18102 1 19 . 1 1 117 117 GLU CA C 135 54.139 54.139 55.005 -0.866 18167 18103 1 19 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.350 -0.187 18167 18104 1 19 . 1 1 117 117 GLU H H 135 9.109 9.109 8.488 0.621 18167 18105 1 19 . 1 1 118 118 TYR N N 136 125.868 125.868 123.120 2.748 18167 18106 1 19 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.407 -0.132 18167 18107 1 19 . 1 1 118 118 TYR C C 136 170.317 170.317 172.594 -2.277 18167 18108 1 19 . 1 1 118 118 TYR CA C 136 56.011 56.011 56.229 -0.218 18167 18109 1 19 . 1 1 118 118 TYR CB C 136 42.516 42.516 41.983 0.533 18167 18110 1 19 . 1 1 118 118 TYR H H 136 8.973 8.973 8.580 0.393 18167 18111 1 19 . 1 1 119 119 ARG N N 137 115.256 115.256 116.957 -1.701 18167 18112 1 19 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.284 0.793 18167 18113 1 19 . 1 1 119 119 ARG C C 137 173.643 173.643 173.944 -0.301 18167 18114 1 19 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.372 -1.249 18167 18115 1 19 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.273 -1.088 18167 18116 1 19 . 1 1 119 119 ARG H H 137 8.920 8.920 8.860 0.060 18167 18117 1 19 . 1 1 120 120 VAL N N 138 119.767 119.767 116.846 2.921 18167 18118 1 19 . 1 1 120 120 VAL HA H 138 4.786 4.786 5.127 -0.341 18167 18119 1 19 . 1 1 120 120 VAL C C 138 174.355 174.355 174.387 -0.032 18167 18120 1 19 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.401 1.382 18167 18121 1 19 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.630 0.532 18167 18122 1 19 . 1 1 120 120 VAL H H 138 8.430 8.430 8.335 0.095 18167 18123 1 19 . 1 1 121 121 LEU N N 139 129.915 129.915 120.892 9.023 18167 18124 1 19 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.136 -0.051 18167 18125 1 19 . 1 1 121 121 LEU C C 139 176.376 176.376 174.089 2.287 18167 18126 1 19 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.068 0.591 18167 18127 1 19 . 1 1 121 121 LEU CB C 139 44.122 44.122 46.163 -2.041 18167 18128 1 19 . 1 1 121 121 LEU H H 139 9.333 9.333 8.780 0.553 18167 18129 1 19 . 1 1 122 122 VAL N N 140 120.956 120.956 121.041 -0.085 18167 18130 1 19 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.586 -0.211 18167 18131 1 19 . 1 1 122 122 VAL C C 140 177.264 177.264 176.809 0.455 18167 18132 1 19 . 1 1 122 122 VAL CA C 140 61.468 61.468 59.209 2.259 18167 18133 1 19 . 1 1 122 122 VAL CB C 140 32.874 32.874 34.822 -1.948 18167 18134 1 19 . 1 1 122 122 VAL H H 140 8.655 8.655 8.621 0.034 18167 18135 1 19 . 1 1 123 123 GLY N N 141 119.059 119.059 118.621 0.438 18167 18136 1 19 . 1 1 123 123 GLY C C 141 174.482 174.482 174.219 0.263 18167 18137 1 19 . 1 1 123 123 GLY CA C 141 47.168 47.168 47.102 0.066 18167 18138 1 19 . 1 1 123 123 GLY H H 141 8.940 8.940 8.472 0.468 18167 18139 1 19 . 1 1 124 124 ASP N N 142 124.652 124.652 124.876 -0.224 18167 18140 1 19 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.809 -0.175 18167 18141 1 19 . 1 1 124 124 ASP C C 142 175.588 175.588 175.025 0.563 18167 18142 1 19 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.435 0.955 18167 18143 1 19 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.576 -0.312 18167 18144 1 19 . 1 1 124 124 ASP H H 142 8.722 8.722 8.616 0.106 18167 18145 1 19 . 1 1 125 125 ASN N N 143 118.203 118.203 118.335 -0.132 18167 18146 1 19 . 1 1 125 125 ASN HA H 143 4.927 4.927 5.037 -0.110 18167 18147 1 19 . 1 1 125 125 ASN C C 143 174.095 174.095 173.805 0.290 18167 18148 1 19 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.490 -0.084 18167 18149 1 19 . 1 1 125 125 ASN CB C 143 41.063 41.063 42.082 -1.019 18167 18150 1 19 . 1 1 125 125 ASN H H 143 8.023 8.023 8.538 -0.515 18167 18151 1 19 . 1 1 126 126 VAL N N 144 123.424 123.424 122.059 1.365 18167 18152 1 19 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.886 0.194 18167 18153 1 19 . 1 1 126 126 VAL C C 144 175.767 175.767 175.482 0.285 18167 18154 1 19 . 1 1 126 126 VAL CA C 144 63.309 63.309 63.026 0.283 18167 18155 1 19 . 1 1 126 126 VAL H H 144 8.857 8.857 8.564 0.293 18167 18156 1 19 . 1 1 127 127 GLU N N 145 130.709 130.709 128.312 2.397 18167 18157 1 19 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.185 0.220 18167 18158 1 19 . 1 1 127 127 GLU C C 145 176.522 176.522 176.169 0.353 18167 18159 1 19 . 1 1 127 127 GLU CA C 145 57.964 57.964 57.876 0.088 18167 18160 1 19 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.439 0.916 18167 18161 1 19 . 1 1 127 127 GLU H H 145 9.487 9.487 8.648 0.839 18167 18162 1 19 . 1 1 128 128 ARG N N 146 113.222 113.222 112.898 0.324 18167 18163 1 19 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.540 0.521 18167 18164 1 19 . 1 1 128 128 ARG C C 146 172.055 172.055 173.677 -1.622 18167 18165 1 19 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.295 -0.914 18167 18166 1 19 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.346 1.645 18167 18167 1 19 . 1 1 128 128 ARG H H 146 7.657 7.657 7.485 0.172 18167 18168 1 19 . 1 1 129 129 HIS N N 147 125.158 125.158 117.223 7.935 18167 18169 1 19 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.472 0.160 18167 18170 1 19 . 1 1 129 129 HIS C C 147 172.407 172.407 173.217 -0.810 18167 18171 1 19 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.889 -1.693 18167 18172 1 19 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.290 0.646 18167 18173 1 19 . 1 1 129 129 HIS H H 147 9.295 9.295 8.431 0.864 18167 18174 1 19 . 1 1 130 130 ASP N N 148 122.383 122.383 120.286 2.097 18167 18175 1 19 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.018 1.109 18167 18176 1 19 . 1 1 130 130 ASP C C 148 174.350 174.350 173.561 0.789 18167 18177 1 19 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.633 -0.687 18167 18178 1 19 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.541 -1.573 18167 18179 1 19 . 1 1 130 130 ASP H H 148 8.879 8.879 8.118 0.761 18167 18180 1 19 . 1 1 131 131 LEU N N 149 121.444 121.444 123.198 -1.754 18167 18181 1 19 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.828 0.461 18167 18182 1 19 . 1 1 131 131 LEU C C 149 174.289 174.289 174.238 0.051 18167 18183 1 19 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.192 0.666 18167 18184 1 19 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.244 1.624 18167 18185 1 19 . 1 1 131 131 LEU H H 149 8.916 8.916 8.187 0.729 18167 18186 1 19 . 1 1 132 132 ALA N N 150 128.498 128.498 128.653 -0.155 18167 18187 1 19 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.538 0.492 18167 18188 1 19 . 1 1 132 132 ALA C C 150 176.044 176.044 175.349 0.695 18167 18189 1 19 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.394 -0.993 18167 18190 1 19 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.538 -0.715 18167 18191 1 19 . 1 1 132 132 ALA H H 150 9.920 9.920 9.292 0.628 18167 18192 1 19 . 1 1 133 133 SER N N 151 116.937 116.937 118.247 -1.310 18167 18193 1 19 . 1 1 133 133 SER HA H 151 5.812 5.812 5.507 0.305 18167 18194 1 19 . 1 1 133 133 SER C C 151 173.367 173.367 173.254 0.113 18167 18195 1 19 . 1 1 133 133 SER CA C 151 56.394 56.394 56.222 0.172 18167 18196 1 19 . 1 1 133 133 SER CB C 151 65.448 65.448 65.021 0.427 18167 18197 1 19 . 1 1 133 133 SER H H 151 9.360 9.360 8.622 0.738 18167 18198 1 19 . 1 1 134 134 VAL N N 152 126.011 126.011 129.080 -3.069 18167 18199 1 19 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.793 0.616 18167 18200 1 19 . 1 1 134 134 VAL C C 152 175.735 175.735 174.822 0.913 18167 18201 1 19 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.396 -1.233 18167 18202 1 19 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.313 1.607 18167 18203 1 19 . 1 1 134 134 VAL H H 152 9.558 9.558 9.402 0.156 18167 18204 1 19 . 1 1 135 135 THR N N 153 118.998 118.998 121.060 -2.062 18167 18205 1 19 . 1 1 135 135 THR HA H 153 4.723 4.723 5.087 -0.364 18167 18206 1 19 . 1 1 135 135 THR C C 153 171.746 171.746 172.909 -1.163 18167 18207 1 19 . 1 1 135 135 THR CA C 153 61.221 61.221 60.067 1.154 18167 18208 1 19 . 1 1 135 135 THR CB C 153 69.300 69.300 71.642 -2.342 18167 18209 1 19 . 1 1 135 135 THR H H 153 8.960 8.960 9.020 -0.060 18167 18210 1 19 . 1 1 136 136 THR N N 154 109.883 109.883 116.197 -6.314 18167 18211 1 19 . 1 1 136 136 THR HA H 154 5.636 5.636 5.422 0.214 18167 18212 1 19 . 1 1 136 136 THR C C 154 173.904 173.904 173.423 0.481 18167 18213 1 19 . 1 1 136 136 THR CA C 154 58.391 58.391 59.656 -1.265 18167 18214 1 19 . 1 1 136 136 THR CB C 154 71.387 71.387 71.235 0.152 18167 18215 1 19 . 1 1 136 136 THR H H 154 7.940 7.940 8.080 -0.140 18167 18216 1 19 . 1 1 137 137 ASN N N 155 115.138 115.138 118.690 -3.552 18167 18217 1 19 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.767 0.139 18167 18218 1 19 . 1 1 137 137 ASN C C 155 174.994 174.994 175.156 -0.162 18167 18219 1 19 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.635 0.710 18167 18220 1 19 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.624 1.183 18167 18221 1 19 . 1 1 137 137 ASN H H 155 8.938 8.938 8.496 0.442 18167 18222 1 19 . 1 1 138 138 ARG N N 156 125.040 125.040 125.337 -0.297 18167 18223 1 19 . 1 1 138 138 ARG HA H 156 3.957 3.957 4.030 -0.073 18167 18224 1 19 . 1 1 138 138 ARG C C 156 175.870 175.870 176.013 -0.143 18167 18225 1 19 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.224 -0.100 18167 18226 1 19 . 1 1 138 138 ARG CB C 156 27.659 27.659 27.753 -0.094 18167 18227 1 19 . 1 1 138 138 ARG H H 156 9.364 9.364 9.033 0.331 18167 18228 1 19 . 1 1 139 139 GLY N N 157 104.408 104.408 102.477 1.931 18167 18229 1 19 . 1 1 139 139 GLY C C 157 173.563 173.563 173.753 -0.190 18167 18230 1 19 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.141 0.680 18167 18231 1 19 . 1 1 139 139 GLY H H 157 8.862 8.862 8.433 0.429 18167 18232 1 19 . 1 1 140 140 LYS N N 158 117.999 117.999 120.611 -2.612 18167 18233 1 19 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.711 0.249 18167 18234 1 19 . 1 1 140 140 LYS C C 158 174.527 174.527 174.965 -0.438 18167 18235 1 19 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.781 -1.059 18167 18236 1 19 . 1 1 140 140 LYS CB C 158 34.864 34.864 34.377 0.487 18167 18237 1 19 . 1 1 140 140 LYS H H 158 7.718 7.718 7.775 -0.057 18167 18238 1 19 . 1 1 141 141 LEU N N 159 124.332 124.332 125.174 -0.842 18167 18239 1 19 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.753 -0.123 18167 18240 1 19 . 1 1 141 141 LEU C C 159 175.337 175.337 175.405 -0.068 18167 18241 1 19 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.050 0.188 18167 18242 1 19 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.596 0.276 18167 18243 1 19 . 1 1 141 141 LEU H H 159 9.006 9.006 9.092 -0.086 18167 18244 1 19 . 1 1 142 142 ILE N N 160 128.619 128.619 127.463 1.156 18167 18245 1 19 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.496 0.233 18167 18246 1 19 . 1 1 142 142 ILE C C 160 173.414 173.414 174.703 -1.289 18167 18247 1 19 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.559 0.674 18167 18248 1 19 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.448 -0.264 18167 18249 1 19 . 1 1 142 142 ILE H H 160 9.129 9.129 9.159 -0.030 18167 18250 1 19 . 1 1 143 143 THR N N 161 122.266 122.266 123.311 -1.045 18167 18251 1 19 . 1 1 143 143 THR HA H 161 4.797 4.797 5.355 -0.558 18167 18252 1 19 . 1 1 143 143 THR C C 161 171.903 171.903 173.305 -1.402 18167 18253 1 19 . 1 1 143 143 THR CA C 161 61.666 61.666 61.264 0.402 18167 18254 1 19 . 1 1 143 143 THR CB C 161 70.025 70.025 71.000 -0.975 18167 18255 1 19 . 1 1 143 143 THR H H 161 8.818 8.818 8.493 0.325 18167 18256 1 19 . 1 1 144 144 PHE N N 162 130.742 130.742 127.943 2.799 18167 18257 1 19 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.747 0.043 18167 18258 1 19 . 1 1 144 144 PHE C C 162 173.404 173.404 173.461 -0.057 18167 18259 1 19 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.597 -1.377 18167 18260 1 19 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.330 -1.590 18167 18261 1 19 . 1 1 144 144 PHE H H 162 9.219 9.219 9.057 0.162 18167 18262 1 19 . 1 1 145 145 ASP N N 163 127.154 127.154 127.634 -0.480 18167 18263 1 19 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.653 -0.697 18167 18264 1 19 . 1 1 145 145 ASP C C 163 174.933 174.933 174.887 0.046 18167 18265 1 19 . 1 1 145 145 ASP CA C 163 53.410 53.410 52.993 0.417 18167 18266 1 19 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.493 -0.169 18167 18267 1 19 . 1 1 145 145 ASP H H 163 8.862 8.862 8.255 0.607 18167 18268 1 19 . 1 1 146 146 LEU N N 164 131.658 131.658 124.724 6.934 18167 18269 1 19 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.818 -0.223 18167 18270 1 19 . 1 1 146 146 LEU C C 164 174.511 174.511 175.598 -1.087 18167 18271 1 19 . 1 1 146 146 LEU CA C 164 53.971 53.971 53.876 0.095 18167 18272 1 19 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.297 -2.200 18167 18273 1 19 . 1 1 146 146 LEU H H 164 8.938 8.938 9.009 -0.071 18167 18274 1 19 . 1 1 147 147 SER N N 165 114.966 114.966 116.703 -1.737 18167 18275 1 19 . 1 1 147 147 SER HA H 165 5.186 5.186 5.154 0.032 18167 18276 1 19 . 1 1 147 147 SER C C 165 173.417 173.417 173.274 0.143 18167 18277 1 19 . 1 1 147 147 SER CA C 165 56.600 56.600 57.175 -0.575 18167 18278 1 19 . 1 1 147 147 SER CB C 165 67.205 67.205 64.773 2.432 18167 18279 1 19 . 1 1 147 147 SER H H 165 8.995 8.995 8.758 0.237 18167 18280 1 19 . 1 1 148 148 THR N N 166 118.620 118.620 122.053 -3.433 18167 18281 1 19 . 1 1 148 148 THR HA H 166 5.144 5.144 4.789 0.355 18167 18282 1 19 . 1 1 148 148 THR C C 166 173.151 173.151 172.852 0.299 18167 18283 1 19 . 1 1 148 148 THR CA C 166 60.362 60.362 61.443 -1.081 18167 18284 1 19 . 1 1 148 148 THR CB C 166 69.214 69.214 72.664 -3.450 18167 18285 1 19 . 1 1 148 148 THR H H 166 8.614 8.614 8.088 0.526 18167 18286 1 19 . 1 1 149 149 ALA N N 167 124.595 124.595 124.633 -0.038 18167 18287 1 19 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.357 0.248 18167 18288 1 19 . 1 1 149 149 ALA C C 167 179.460 179.460 178.811 0.649 18167 18289 1 19 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.774 -1.218 18167 18290 1 19 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.681 0.577 18167 18291 1 19 . 1 1 149 149 ALA H H 167 8.107 8.107 8.708 -0.601 18167 18292 1 19 . 1 1 150 150 GLU N N 168 123.906 123.906 122.300 1.606 18167 18293 1 19 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.020 0.478 18167 18294 1 19 . 1 1 150 150 GLU C C 168 178.587 178.587 177.988 0.599 18167 18295 1 19 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.229 -0.283 18167 18296 1 19 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.610 -0.903 18167 18297 1 19 . 1 1 150 150 GLU H H 168 8.471 8.471 9.051 -0.580 18167 18298 1 19 . 1 1 151 151 ASP N N 169 114.005 114.005 120.102 -6.097 18167 18299 1 19 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.435 0.048 18167 18300 1 19 . 1 1 151 151 ASP C C 169 177.260 177.260 177.744 -0.484 18167 18301 1 19 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.897 -0.979 18167 18302 1 19 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.912 -0.827 18167 18303 1 19 . 1 1 151 151 ASP H H 169 8.575 8.575 8.796 -0.221 18167 18304 1 19 . 1 1 152 152 ARG N N 170 118.283 118.283 117.779 0.504 18167 18305 1 19 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.433 -0.102 18167 18306 1 19 . 1 1 152 152 ARG C C 170 177.094 177.094 177.828 -0.734 18167 18307 1 19 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.547 -0.711 18167 18308 1 19 . 1 1 152 152 ARG CB C 170 31.984 31.984 30.758 1.226 18167 18309 1 19 . 1 1 152 152 ARG H H 170 7.663 7.663 7.648 0.015 18167 18310 1 19 . 1 1 153 153 TRP N N 171 122.336 122.336 123.447 -1.111 18167 18311 1 19 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.520 -0.610 18167 18312 1 19 . 1 1 153 153 TRP C C 171 175.820 175.820 176.660 -0.840 18167 18313 1 19 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.388 -0.512 18167 18314 1 19 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.357 0.051 18167 18315 1 19 . 1 1 153 153 TRP H H 171 7.689 7.689 8.126 -0.437 18167 18316 1 19 . 1 1 154 154 ASP N N 172 114.179 114.179 117.225 -3.046 18167 18317 1 19 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.459 -0.442 18167 18318 1 19 . 1 1 154 154 ASP C C 172 178.442 178.442 178.336 0.106 18167 18319 1 19 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.275 0.228 18167 18320 1 19 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.335 -0.171 18167 18321 1 19 . 1 1 154 154 ASP H H 172 8.690 8.690 8.124 0.566 18167 18322 1 19 . 1 1 155 155 THR N N 173 114.661 114.661 114.786 -0.125 18167 18323 1 19 . 1 1 155 155 THR HA H 173 3.990 3.990 4.102 -0.112 18167 18324 1 19 . 1 1 155 155 THR C C 173 175.985 175.985 175.655 0.330 18167 18325 1 19 . 1 1 155 155 THR CA C 173 65.585 65.585 65.932 -0.347 18167 18326 1 19 . 1 1 155 155 THR CB C 173 69.076 69.076 69.103 -0.027 18167 18327 1 19 . 1 1 155 155 THR H H 173 7.635 7.635 7.519 0.116 18167 18328 1 19 . 1 1 156 156 VAL N N 174 113.687 113.687 113.313 0.374 18167 18329 1 19 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.256 0.021 18167 18330 1 19 . 1 1 156 156 VAL C C 174 176.185 176.185 175.268 0.917 18167 18331 1 19 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.897 1.547 18167 18332 1 19 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.177 2.976 18167 18333 1 19 . 1 1 156 156 VAL H H 174 7.447 7.447 8.018 -0.571 18167 18334 1 19 . 1 1 157 157 LYS N N 175 123.084 123.084 119.956 3.128 18167 18335 1 19 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.662 -0.818 18167 18336 1 19 . 1 1 157 157 LYS C C 175 177.321 177.321 178.128 -0.807 18167 18337 1 19 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.507 0.713 18167 18338 1 19 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.587 -1.392 18167 18339 1 19 . 1 1 157 157 LYS H H 175 7.548 7.548 7.101 0.447 18167 18340 1 19 . 1 1 158 158 SER N N 176 114.046 114.046 115.128 -1.082 18167 18341 1 19 . 1 1 158 158 SER HA H 176 3.820 3.820 4.191 -0.371 18167 18342 1 19 . 1 1 158 158 SER C C 176 176.927 176.927 176.115 0.812 18167 18343 1 19 . 1 1 158 158 SER CA C 176 61.600 61.600 60.164 1.436 18167 18344 1 19 . 1 1 158 158 SER CB C 176 62.048 62.048 62.920 -0.872 18167 18345 1 19 . 1 1 158 158 SER H H 176 8.161 8.161 7.971 0.190 18167 18346 1 19 . 1 1 159 159 LEU N N 177 126.125 126.125 123.674 2.451 18167 18347 1 19 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.804 0.369 18167 18348 1 19 . 1 1 159 159 LEU C C 177 178.403 178.403 178.077 0.326 18167 18349 1 19 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.770 -0.068 18167 18350 1 19 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.270 -0.194 18167 18351 1 19 . 1 1 159 159 LEU H H 177 7.587 7.587 7.270 0.317 18167 18352 1 19 . 1 1 160 160 PHE N N 178 119.582 119.582 117.064 2.518 18167 18353 1 19 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.039 0.243 18167 18354 1 19 . 1 1 160 160 PHE C C 178 177.277 177.277 178.010 -0.733 18167 18355 1 19 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.314 -2.604 18167 18356 1 19 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.480 -1.940 18167 18357 1 19 . 1 1 160 160 PHE H H 178 9.067 9.067 6.739 2.328 18167 18358 1 19 . 1 1 161 161 ASP N N 179 120.599 120.599 119.380 1.219 18167 18359 1 19 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.484 -0.144 18167 18360 1 19 . 1 1 161 161 ASP C C 179 179.216 179.216 178.779 0.437 18167 18361 1 19 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.559 0.343 18167 18362 1 19 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.546 0.411 18167 18363 1 19 . 1 1 161 161 ASP H H 179 8.578 8.578 7.651 0.927 18167 18364 1 19 . 1 1 162 162 THR N N 180 118.300 118.300 117.467 0.833 18167 18365 1 19 . 1 1 162 162 THR HA H 180 3.849 3.849 4.106 -0.257 18167 18366 1 19 . 1 1 162 162 THR C C 180 176.875 176.875 176.820 0.055 18167 18367 1 19 . 1 1 162 162 THR CA C 180 66.977 66.977 66.748 0.229 18167 18368 1 19 . 1 1 162 162 THR CB C 180 68.886 68.886 68.921 -0.035 18167 18369 1 19 . 1 1 162 162 THR H H 180 7.771 7.771 8.337 -0.566 18167 18370 1 19 . 1 1 163 163 VAL N N 181 123.234 123.234 121.156 2.078 18167 18371 1 19 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.739 -0.145 18167 18372 1 19 . 1 1 163 163 VAL C C 181 180.016 180.016 177.415 2.601 18167 18373 1 19 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.503 0.253 18167 18374 1 19 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.617 0.095 18167 18375 1 19 . 1 1 163 163 VAL H H 181 8.831 8.831 8.496 0.335 18167 18376 1 19 . 1 1 164 164 ALA N N 182 124.654 124.654 121.536 3.118 18167 18377 1 19 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.255 0.008 18167 18378 1 19 . 1 1 164 164 ALA C C 182 180.510 180.510 179.059 1.451 18167 18379 1 19 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.209 1.250 18167 18380 1 19 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.453 -0.890 18167 18381 1 19 . 1 1 164 164 ALA H H 182 9.662 9.662 8.693 0.969 18167 18382 1 19 . 1 1 165 165 SER N N 183 112.325 112.325 111.886 0.439 18167 18383 1 19 . 1 1 165 165 SER HA H 183 4.173 4.173 4.460 -0.287 18167 18384 1 19 . 1 1 165 165 SER C C 183 173.817 173.817 176.038 -2.221 18167 18385 1 19 . 1 1 165 165 SER CA C 183 61.155 61.155 60.042 1.113 18167 18386 1 19 . 1 1 165 165 SER CB C 183 63.140 63.140 64.001 -0.861 18167 18387 1 19 . 1 1 165 165 SER H H 183 7.988 7.988 8.109 -0.121 18167 18388 1 19 . 1 1 166 166 SER N N 184 117.332 117.332 117.474 -0.142 18167 18389 1 19 . 1 1 166 166 SER HA H 184 4.356 4.356 4.399 -0.043 18167 18390 1 19 . 1 1 166 166 SER C C 184 174.163 174.163 175.769 -1.606 18167 18391 1 19 . 1 1 166 166 SER CA C 184 59.502 59.502 60.239 -0.737 18167 18392 1 19 . 1 1 166 166 SER CB C 184 63.416 63.416 63.546 -0.130 18167 18393 1 19 . 1 1 166 166 SER H H 184 7.766 7.766 7.786 -0.020 18167 18394 1 19 . 1 1 167 167 PHE N N 185 124.827 124.827 121.214 3.613 18167 18395 1 19 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.756 0.407 18167 18396 1 19 . 1 1 167 167 PHE C C 185 174.545 174.545 174.865 -0.320 18167 18397 1 19 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.493 0.009 18167 18398 1 19 . 1 1 167 167 PHE CB C 185 38.390 38.390 38.727 -0.337 18167 18399 1 19 . 1 1 167 167 PHE H H 185 7.101 7.101 7.565 -0.464 18167 18400 1 19 . 1 1 168 168 HIS N N 186 127.050 127.050 119.818 7.232 18167 18401 1 19 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.502 0.651 18167 18402 1 19 . 1 1 168 168 HIS C C 186 172.836 172.836 173.249 -0.413 18167 18403 1 19 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.965 -0.809 18167 18404 1 19 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.248 -2.245 18167 18405 1 19 . 1 1 168 168 HIS H H 186 8.645 8.645 8.880 -0.235 18167 18406 1 19 . 1 1 169 169 VAL N N 187 114.268 114.268 117.454 -3.186 18167 18407 1 19 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.207 -0.047 18167 18408 1 19 . 1 1 169 169 VAL C C 187 174.449 174.449 174.289 0.160 18167 18409 1 19 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.253 -0.900 18167 18410 1 19 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.803 -1.394 18167 18411 1 19 . 1 1 169 169 VAL H H 187 7.466 7.466 7.459 0.007 18167 18412 1 20 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.411 0.061 18167 18413 1 20 . 1 1 2 2 PRO C C 20 177.006 177.006 177.169 -0.163 18167 18414 1 20 . 1 1 2 2 PRO CA C 20 63.040 63.040 62.272 0.768 18167 18415 1 20 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.670 -0.606 18167 18416 1 20 . 1 1 3 3 LEU N N 21 122.423 122.423 122.458 -0.035 18167 18417 1 20 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.190 0.151 18167 18418 1 20 . 1 1 3 3 LEU C C 21 177.928 177.928 177.824 0.104 18167 18419 1 20 . 1 1 3 3 LEU CA C 21 55.318 55.318 56.635 -1.317 18167 18420 1 20 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.992 0.274 18167 18421 1 20 . 1 1 3 3 LEU H H 21 8.551 8.551 8.277 0.274 18167 18422 1 20 . 1 1 4 4 GLY N N 22 109.759 109.759 106.302 3.457 18167 18423 1 20 . 1 1 4 4 GLY C C 22 174.309 174.309 173.137 1.172 18167 18424 1 20 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.916 0.314 18167 18425 1 20 . 1 1 4 4 GLY H H 22 8.423 8.423 8.368 0.055 18167 18426 1 20 . 1 1 5 5 SER N N 23 115.538 115.538 113.813 1.725 18167 18427 1 20 . 1 1 5 5 SER HA H 23 4.488 4.488 4.720 -0.232 18167 18428 1 20 . 1 1 5 5 SER C C 23 174.841 174.841 174.060 0.781 18167 18429 1 20 . 1 1 5 5 SER CA C 23 58.329 58.329 57.697 0.632 18167 18430 1 20 . 1 1 5 5 SER CB C 23 63.957 63.957 65.442 -1.484 18167 18431 1 20 . 1 1 5 5 SER H H 23 8.233 8.233 8.077 0.156 18167 18432 1 20 . 1 1 6 6 CYS N N 24 120.699 120.699 121.206 -0.507 18167 18433 1 20 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.542 -0.000 18167 18434 1 20 . 1 1 6 6 CYS C C 24 175.079 175.079 176.346 -1.267 18167 18435 1 20 . 1 1 6 6 CYS CA C 24 58.717 58.717 59.065 -0.348 18167 18436 1 20 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.065 -0.096 18167 18437 1 20 . 1 1 6 6 CYS H H 24 8.493 8.493 8.739 -0.246 18167 18438 1 20 . 1 1 7 7 GLY N N 25 110.895 110.895 110.221 0.674 18167 18439 1 20 . 1 1 7 7 GLY C C 25 174.402 174.402 174.748 -0.346 18167 18440 1 20 . 1 1 7 7 GLY CA C 25 45.478 45.478 44.907 0.571 18167 18441 1 20 . 1 1 7 7 GLY H H 25 8.449 8.449 7.988 0.461 18167 18442 1 20 . 1 1 8 8 GLY N N 26 108.733 108.733 110.241 -1.508 18167 18443 1 20 . 1 1 8 8 GLY C C 26 174.113 174.113 173.628 0.485 18167 18444 1 20 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.597 0.583 18167 18445 1 20 . 1 1 8 8 GLY H H 26 8.236 8.236 8.048 0.188 18167 18446 1 20 . 1 1 9 9 VAL N N 27 118.903 118.903 121.956 -3.053 18167 18447 1 20 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.367 -0.243 18167 18448 1 20 . 1 1 9 9 VAL C C 27 176.630 176.630 176.248 0.382 18167 18449 1 20 . 1 1 9 9 VAL CA C 27 62.385 62.385 62.545 -0.160 18167 18450 1 20 . 1 1 9 9 VAL CB C 27 32.521 32.521 32.761 -0.240 18167 18451 1 20 . 1 1 9 9 VAL H H 27 8.019 8.019 8.230 -0.211 18167 18452 1 20 . 1 1 10 10 GLY N N 28 112.317 112.317 115.580 -3.263 18167 18453 1 20 . 1 1 10 10 GLY C C 28 174.378 174.378 173.638 0.740 18167 18454 1 20 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.969 0.377 18167 18455 1 20 . 1 1 10 10 GLY H H 28 8.483 8.483 8.364 0.119 18167 18456 1 20 . 1 1 11 11 ILE N N 29 119.788 119.788 119.689 0.099 18167 18457 1 20 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.550 -0.469 18167 18458 1 20 . 1 1 11 11 ILE C C 29 176.168 176.168 174.994 1.174 18167 18459 1 20 . 1 1 11 11 ILE CA C 29 61.412 61.412 60.340 1.072 18167 18460 1 20 . 1 1 11 11 ILE CB C 29 38.557 38.557 40.549 -1.992 18167 18461 1 20 . 1 1 11 11 ILE H H 29 7.948 7.948 7.969 -0.021 18167 18462 1 20 . 1 1 12 12 ALA N N 30 126.009 126.009 126.520 -0.511 18167 18463 1 20 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.497 -0.209 18167 18464 1 20 . 1 1 12 12 ALA C C 30 177.504 177.504 177.164 0.340 18167 18465 1 20 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.282 0.584 18167 18466 1 20 . 1 1 12 12 ALA CB C 30 18.966 18.966 19.220 -0.254 18167 18467 1 20 . 1 1 12 12 ALA H H 30 8.247 8.247 8.346 -0.099 18167 18468 1 20 . 1 1 13 13 SER N N 31 113.949 113.949 115.917 -1.968 18167 18469 1 20 . 1 1 13 13 SER HA H 31 4.392 4.392 4.343 0.049 18167 18470 1 20 . 1 1 13 13 SER C C 31 173.644 173.644 172.283 1.361 18167 18471 1 20 . 1 1 13 13 SER CA C 31 58.329 58.329 58.430 -0.101 18167 18472 1 20 . 1 1 13 13 SER CB C 31 63.609 63.609 63.560 0.049 18167 18473 1 20 . 1 1 13 13 SER H H 31 8.045 8.045 8.425 -0.380 18167 18474 1 20 . 1 1 14 14 LEU N N 32 122.240 122.240 121.570 0.670 18167 18475 1 20 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.270 0.275 18167 18476 1 20 . 1 1 14 14 LEU C C 32 176.001 176.001 175.495 0.506 18167 18477 1 20 . 1 1 14 14 LEU CA C 32 53.877 53.877 53.889 -0.012 18167 18478 1 20 . 1 1 14 14 LEU CB C 32 44.245 44.245 42.969 1.276 18167 18479 1 20 . 1 1 14 14 LEU H H 32 7.749 7.749 7.585 0.164 18167 18480 1 20 . 1 1 15 15 GLN N N 33 120.685 120.685 120.637 0.048 18167 18481 1 20 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.577 -0.195 18167 18482 1 20 . 1 1 15 15 GLN C C 33 172.944 172.944 174.080 -1.136 18167 18483 1 20 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.577 -0.116 18167 18484 1 20 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.430 -0.687 18167 18485 1 20 . 1 1 15 15 GLN H H 33 8.780 8.780 8.144 0.636 18167 18486 1 20 . 1 1 16 16 ARG N N 34 120.341 120.341 120.473 -0.132 18167 18487 1 20 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.649 0.255 18167 18488 1 20 . 1 1 16 16 ARG C C 34 175.846 175.846 174.612 1.234 18167 18489 1 20 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.949 0.752 18167 18490 1 20 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.026 0.716 18167 18491 1 20 . 1 1 16 16 ARG H H 34 8.274 8.274 8.435 -0.161 18167 18492 1 20 . 1 1 17 17 TYR N N 35 128.733 128.733 124.763 3.970 18167 18493 1 20 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.689 -0.131 18167 18494 1 20 . 1 1 17 17 TYR C C 35 173.307 173.307 173.098 0.209 18167 18495 1 20 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.998 -0.265 18167 18496 1 20 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.524 0.059 18167 18497 1 20 . 1 1 17 17 TYR H H 35 9.104 9.104 8.205 0.899 18167 18498 1 20 . 1 1 18 18 SER N N 36 119.150 119.150 121.256 -2.106 18167 18499 1 20 . 1 1 18 18 SER HA H 36 4.786 4.786 4.958 -0.172 18167 18500 1 20 . 1 1 18 18 SER C C 36 172.002 172.002 172.265 -0.263 18167 18501 1 20 . 1 1 18 18 SER CA C 36 56.341 56.341 56.695 -0.354 18167 18502 1 20 . 1 1 18 18 SER CB C 36 65.327 65.327 66.489 -1.161 18167 18503 1 20 . 1 1 18 18 SER H H 36 7.398 7.398 7.927 -0.529 18167 18504 1 20 . 1 1 19 19 ASP N N 37 124.935 124.935 122.566 2.369 18167 18505 1 20 . 1 1 19 19 ASP HA H 37 4.671 4.671 5.002 -0.331 18167 18506 1 20 . 1 1 19 19 ASP C C 37 176.089 176.089 176.659 -0.570 18167 18507 1 20 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.213 -0.404 18167 18508 1 20 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.815 -1.350 18167 18509 1 20 . 1 1 19 19 ASP H H 37 8.607 8.607 8.452 0.155 18167 18510 1 20 . 1 1 20 20 THR N N 38 117.032 117.032 116.943 0.089 18167 18511 1 20 . 1 1 20 20 THR HA H 38 4.316 4.316 4.058 0.258 18167 18512 1 20 . 1 1 20 20 THR C C 38 175.794 175.794 175.767 0.027 18167 18513 1 20 . 1 1 20 20 THR CA C 38 63.123 63.123 63.894 -0.771 18167 18514 1 20 . 1 1 20 20 THR CB C 38 68.905 68.905 69.180 -0.275 18167 18515 1 20 . 1 1 20 20 THR H H 38 8.470 8.470 8.546 -0.076 18167 18516 1 20 . 1 1 21 21 LYS N N 39 124.893 124.893 121.100 3.793 18167 18517 1 20 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.027 0.162 18167 18518 1 20 . 1 1 21 21 LYS C C 39 177.678 177.678 176.991 0.687 18167 18519 1 20 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.242 -0.447 18167 18520 1 20 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.461 -0.793 18167 18521 1 20 . 1 1 21 21 LYS H H 39 8.201 8.201 7.869 0.332 18167 18522 1 20 . 1 1 22 22 ASP N N 40 118.183 118.183 114.981 3.202 18167 18523 1 20 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.557 0.264 18167 18524 1 20 . 1 1 22 22 ASP C C 40 176.752 176.752 177.322 -0.570 18167 18525 1 20 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.331 0.548 18167 18526 1 20 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.963 0.906 18167 18527 1 20 . 1 1 22 22 ASP H H 40 8.480 8.480 8.099 0.381 18167 18528 1 20 . 1 1 23 23 GLY N N 41 108.978 108.978 108.409 0.569 18167 18529 1 20 . 1 1 23 23 GLY C C 41 172.396 172.396 173.342 -0.946 18167 18530 1 20 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.446 1.670 18167 18531 1 20 . 1 1 23 23 GLY H H 41 7.421 7.421 8.154 -0.733 18167 18532 1 20 . 1 1 24 24 TYR N N 42 112.046 112.046 116.211 -4.165 18167 18533 1 20 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.905 -0.511 18167 18534 1 20 . 1 1 24 24 TYR C C 42 173.028 173.028 172.989 0.039 18167 18535 1 20 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.490 1.342 18167 18536 1 20 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.557 0.297 18167 18537 1 20 . 1 1 24 24 TYR H H 42 7.506 7.506 7.855 -0.349 18167 18538 1 20 . 1 1 25 25 GLU N N 43 117.470 117.470 120.517 -3.047 18167 18539 1 20 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.157 0.311 18167 18540 1 20 . 1 1 25 25 GLU C C 43 173.311 173.311 174.372 -1.061 18167 18541 1 20 . 1 1 25 25 GLU CA C 43 54.231 54.231 54.962 -0.731 18167 18542 1 20 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.996 -0.371 18167 18543 1 20 . 1 1 25 25 GLU H H 43 8.934 8.934 9.027 -0.093 18167 18544 1 20 . 1 1 26 26 PHE N N 44 112.795 112.795 116.425 -3.630 18167 18545 1 20 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.082 -0.240 18167 18546 1 20 . 1 1 26 26 PHE C C 44 172.776 172.776 173.063 -0.287 18167 18547 1 20 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.721 -0.105 18167 18548 1 20 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.708 -1.259 18167 18549 1 20 . 1 1 26 26 PHE H H 44 8.532 8.532 8.462 0.070 18167 18550 1 20 . 1 1 27 27 LEU N N 45 119.784 119.784 121.862 -2.078 18167 18551 1 20 . 1 1 27 27 LEU HA H 45 5.520 5.520 5.175 0.345 18167 18552 1 20 . 1 1 27 27 LEU C C 45 174.965 174.965 176.825 -1.860 18167 18553 1 20 . 1 1 27 27 LEU CA C 45 52.774 52.774 53.836 -1.062 18167 18554 1 20 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.385 1.265 18167 18555 1 20 . 1 1 27 27 LEU H H 45 9.241 9.241 8.823 0.418 18167 18556 1 20 . 1 1 28 28 TYR N N 46 113.008 113.008 119.373 -6.365 18167 18557 1 20 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.781 0.132 18167 18558 1 20 . 1 1 28 28 TYR C C 46 171.354 171.354 172.209 -0.855 18167 18559 1 20 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.659 0.098 18167 18560 1 20 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.365 -0.218 18167 18561 1 20 . 1 1 28 28 TYR H H 46 8.951 8.951 8.704 0.247 18167 18562 1 20 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.103 -0.096 18167 18563 1 20 . 1 1 29 29 PRO C C 47 176.165 176.165 176.254 -0.089 18167 18564 1 20 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.121 1.197 18167 18565 1 20 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.489 -1.149 18167 18566 1 20 . 1 1 30 30 ASN N N 48 119.923 119.923 119.359 0.564 18167 18567 1 20 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.269 -0.006 18167 18568 1 20 . 1 1 30 30 ASN C C 48 176.347 176.347 176.384 -0.037 18167 18569 1 20 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.444 1.757 18167 18570 1 20 . 1 1 30 30 ASN CB C 48 38.588 38.588 37.844 0.744 18167 18571 1 20 . 1 1 30 30 ASN H H 48 8.163 8.163 7.909 0.254 18167 18572 1 20 . 1 1 31 31 GLY N N 49 111.442 111.442 106.045 5.397 18167 18573 1 20 . 1 1 31 31 GLY C C 49 174.985 174.985 174.464 0.521 18167 18574 1 20 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.251 0.141 18167 18575 1 20 . 1 1 31 31 GLY H H 49 8.702 8.702 8.665 0.037 18167 18576 1 20 . 1 1 32 32 TRP N N 50 122.100 122.100 120.840 1.260 18167 18577 1 20 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.237 0.105 18167 18578 1 20 . 1 1 32 32 TRP C C 50 176.370 176.370 177.396 -1.026 18167 18579 1 20 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.522 0.771 18167 18580 1 20 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.156 -0.052 18167 18581 1 20 . 1 1 32 32 TRP H H 50 8.008 8.008 7.683 0.325 18167 18582 1 20 . 1 1 33 33 ILE N N 51 117.163 117.163 119.590 -2.427 18167 18583 1 20 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.839 0.116 18167 18584 1 20 . 1 1 33 33 ILE C C 51 175.549 175.549 174.878 0.671 18167 18585 1 20 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.819 -0.591 18167 18586 1 20 . 1 1 33 33 ILE CB C 51 42.089 42.089 41.251 0.838 18167 18587 1 20 . 1 1 33 33 ILE H H 51 9.249 9.249 8.612 0.637 18167 18588 1 20 . 1 1 34 34 GLY N N 52 111.812 111.812 110.843 0.969 18167 18589 1 20 . 1 1 34 34 GLY C C 52 173.956 173.956 173.895 0.061 18167 18590 1 20 . 1 1 34 34 GLY CA C 52 45.404 45.404 44.138 1.266 18167 18591 1 20 . 1 1 34 34 GLY H H 52 8.787 8.787 8.347 0.440 18167 18592 1 20 . 1 1 35 35 VAL N N 53 122.174 122.174 120.064 2.110 18167 18593 1 20 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.499 -0.355 18167 18594 1 20 . 1 1 35 35 VAL C C 53 174.921 174.921 174.801 0.120 18167 18595 1 20 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.117 0.540 18167 18596 1 20 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.970 -0.930 18167 18597 1 20 . 1 1 35 35 VAL H H 53 7.763 7.763 8.226 -0.463 18167 18598 1 20 . 1 1 36 36 ASP N N 54 125.424 125.424 124.935 0.489 18167 18599 1 20 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.738 -0.149 18167 18600 1 20 . 1 1 36 36 ASP C C 54 176.890 176.890 176.121 0.769 18167 18601 1 20 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.540 -0.090 18167 18602 1 20 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.913 -0.740 18167 18603 1 20 . 1 1 36 36 ASP H H 54 8.425 8.425 8.464 -0.039 18167 18604 1 20 . 1 1 37 37 VAL N N 55 120.335 120.335 117.904 2.431 18167 18605 1 20 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.378 -0.209 18167 18606 1 20 . 1 1 37 37 VAL C C 55 176.785 176.785 174.945 1.840 18167 18607 1 20 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.476 0.443 18167 18608 1 20 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.646 -0.856 18167 18609 1 20 . 1 1 37 37 VAL H H 55 8.215 8.215 8.270 -0.055 18167 18610 1 20 . 1 1 38 38 LYS N N 56 124.881 124.881 121.843 3.038 18167 18611 1 20 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.284 -0.082 18167 18612 1 20 . 1 1 38 38 LYS C C 56 177.828 177.828 177.815 0.013 18167 18613 1 20 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.087 0.916 18167 18614 1 20 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.221 -0.584 18167 18615 1 20 . 1 1 38 38 LYS H H 56 8.331 8.331 7.829 0.502 18167 18616 1 20 . 1 1 39 39 GLY N N 57 111.152 111.152 111.951 -0.799 18167 18617 1 20 . 1 1 39 39 GLY C C 57 174.253 174.253 174.031 0.222 18167 18618 1 20 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.768 0.592 18167 18619 1 20 . 1 1 39 39 GLY H H 57 8.651 8.651 9.016 -0.365 18167 18620 1 20 . 1 1 40 40 ALA N N 58 123.085 123.085 122.891 0.194 18167 18621 1 20 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.430 -0.047 18167 18622 1 20 . 1 1 40 40 ALA C C 58 177.125 177.125 176.629 0.496 18167 18623 1 20 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.291 1.063 18167 18624 1 20 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.802 -0.185 18167 18625 1 20 . 1 1 40 40 ALA H H 58 7.839 7.839 7.584 0.255 18167 18626 1 20 . 1 1 41 41 SER N N 59 115.088 115.088 116.107 -1.019 18167 18627 1 20 . 1 1 41 41 SER HA H 59 4.688 4.688 4.309 0.379 18167 18628 1 20 . 1 1 41 41 SER C C 59 171.885 171.885 172.956 -1.071 18167 18629 1 20 . 1 1 41 41 SER CA C 59 56.951 56.951 58.547 -1.596 18167 18630 1 20 . 1 1 41 41 SER CB C 59 63.123 63.123 62.625 0.498 18167 18631 1 20 . 1 1 41 41 SER H H 59 8.186 8.186 8.322 -0.136 18167 18632 1 20 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.136 0.213 18167 18633 1 20 . 1 1 42 42 PRO C C 60 177.660 177.660 177.891 -0.231 18167 18634 1 20 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.270 -0.045 18167 18635 1 20 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.757 -0.216 18167 18636 1 20 . 1 1 43 43 GLY N N 61 111.997 111.997 110.973 1.024 18167 18637 1 20 . 1 1 43 43 GLY C C 61 174.070 174.070 174.189 -0.119 18167 18638 1 20 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.936 0.678 18167 18639 1 20 . 1 1 43 43 GLY H H 61 8.730 8.730 8.614 0.116 18167 18640 1 20 . 1 1 44 44 VAL N N 62 120.539 120.539 123.226 -2.687 18167 18641 1 20 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.783 0.494 18167 18642 1 20 . 1 1 44 44 VAL C C 62 175.277 175.277 174.849 0.428 18167 18643 1 20 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.244 -1.317 18167 18644 1 20 . 1 1 44 44 VAL CB C 62 31.555 31.555 30.848 0.707 18167 18645 1 20 . 1 1 44 44 VAL H H 62 7.573 7.573 7.886 -0.313 18167 18646 1 20 . 1 1 45 45 ASP N N 63 128.619 128.619 128.214 0.405 18167 18647 1 20 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.957 -0.050 18167 18648 1 20 . 1 1 45 45 ASP C C 63 176.177 176.177 175.727 0.450 18167 18649 1 20 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.502 0.353 18167 18650 1 20 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.087 1.188 18167 18651 1 20 . 1 1 45 45 ASP H H 63 9.084 9.084 8.104 0.980 18167 18652 1 20 . 1 1 46 46 VAL N N 64 115.687 115.687 118.562 -2.875 18167 18653 1 20 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.290 0.020 18167 18654 1 20 . 1 1 46 46 VAL C C 64 172.853 172.853 173.796 -0.943 18167 18655 1 20 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.555 0.616 18167 18656 1 20 . 1 1 46 46 VAL CB C 64 35.908 35.908 34.718 1.190 18167 18657 1 20 . 1 1 46 46 VAL H H 64 7.314 7.314 7.503 -0.189 18167 18658 1 20 . 1 1 47 47 VAL N N 65 124.933 124.933 123.868 1.065 18167 18659 1 20 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.365 0.691 18167 18660 1 20 . 1 1 47 47 VAL C C 65 175.266 175.266 173.827 1.439 18167 18661 1 20 . 1 1 47 47 VAL CA C 65 61.082 61.082 61.055 0.027 18167 18662 1 20 . 1 1 47 47 VAL CB C 65 36.667 36.667 35.051 1.616 18167 18663 1 20 . 1 1 47 47 VAL H H 65 8.146 8.146 7.857 0.289 18167 18664 1 20 . 1 1 48 48 PHE N N 66 122.916 122.916 125.283 -2.367 18167 18665 1 20 . 1 1 48 48 PHE HA H 66 5.491 5.491 4.847 0.644 18167 18666 1 20 . 1 1 48 48 PHE C C 66 174.371 174.371 174.222 0.149 18167 18667 1 20 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.902 -0.373 18167 18668 1 20 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.100 2.059 18167 18669 1 20 . 1 1 48 48 PHE H H 66 8.469 8.469 9.267 -0.798 18167 18670 1 20 . 1 1 49 49 ARG N N 67 116.381 116.381 121.859 -5.478 18167 18671 1 20 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.517 -0.012 18167 18672 1 20 . 1 1 49 49 ARG C C 67 173.455 173.455 174.100 -0.645 18167 18673 1 20 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.197 -0.363 18167 18674 1 20 . 1 1 49 49 ARG CB C 67 34.898 34.898 33.788 1.110 18167 18675 1 20 . 1 1 49 49 ARG H H 67 9.271 9.271 8.796 0.475 18167 18676 1 20 . 1 1 50 50 ASP N N 68 121.066 121.066 126.145 -5.079 18167 18677 1 20 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.096 -0.045 18167 18678 1 20 . 1 1 50 50 ASP C C 68 176.670 176.670 175.552 1.118 18167 18679 1 20 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.714 0.902 18167 18680 1 20 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.291 1.610 18167 18681 1 20 . 1 1 50 50 ASP H H 68 7.165 7.165 8.034 -0.870 18167 18682 1 20 . 1 1 51 51 LEU N N 69 124.078 124.078 126.014 -1.936 18167 18683 1 20 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.096 -0.071 18167 18684 1 20 . 1 1 51 51 LEU C C 69 177.463 177.463 177.595 -0.132 18167 18685 1 20 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.343 0.065 18167 18686 1 20 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.438 0.711 18167 18687 1 20 . 1 1 51 51 LEU H H 69 8.314 8.314 7.961 0.353 18167 18688 1 20 . 1 1 52 52 ILE N N 70 118.341 118.341 116.547 1.794 18167 18689 1 20 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.937 0.136 18167 18690 1 20 . 1 1 52 52 ILE C C 70 177.093 177.093 176.229 0.864 18167 18691 1 20 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.592 -1.734 18167 18692 1 20 . 1 1 52 52 ILE CB C 70 38.620 38.620 38.176 0.444 18167 18693 1 20 . 1 1 52 52 ILE H H 70 8.178 8.178 7.899 0.279 18167 18694 1 20 . 1 1 53 53 GLU N N 71 122.254 122.254 117.803 4.451 18167 18695 1 20 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.518 -0.134 18167 18696 1 20 . 1 1 53 53 GLU C C 71 176.084 176.084 175.596 0.488 18167 18697 1 20 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.543 -0.735 18167 18698 1 20 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.684 -1.926 18167 18699 1 20 . 1 1 53 53 GLU H H 71 8.974 8.974 8.076 0.898 18167 18700 1 20 . 1 1 54 54 ARG N N 72 121.414 121.414 123.600 -2.186 18167 18701 1 20 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.000 -0.018 18167 18702 1 20 . 1 1 54 54 ARG C C 72 176.478 176.478 177.012 -0.534 18167 18703 1 20 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.926 -0.686 18167 18704 1 20 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.501 -0.537 18167 18705 1 20 . 1 1 54 54 ARG H H 72 8.052 8.052 8.490 -0.438 18167 18706 1 20 . 1 1 55 55 ASP N N 73 117.425 117.425 117.831 -0.406 18167 18707 1 20 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.343 0.108 18167 18708 1 20 . 1 1 55 55 ASP C C 73 173.783 173.783 175.678 -1.895 18167 18709 1 20 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.977 -0.903 18167 18710 1 20 . 1 1 55 55 ASP CB C 73 40.742 40.742 39.794 0.948 18167 18711 1 20 . 1 1 55 55 ASP H H 73 8.455 8.455 8.383 0.072 18167 18712 1 20 . 1 1 56 56 GLU N N 74 124.050 124.050 119.558 4.492 18167 18713 1 20 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.641 0.858 18167 18714 1 20 . 1 1 56 56 GLU C C 74 174.110 174.110 175.061 -0.951 18167 18715 1 20 . 1 1 56 56 GLU CA C 74 56.478 56.478 55.804 0.674 18167 18716 1 20 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.790 1.656 18167 18717 1 20 . 1 1 56 56 GLU H H 74 7.773 7.773 7.986 -0.213 18167 18718 1 20 . 1 1 57 57 ASN N N 75 119.794 119.794 122.061 -2.267 18167 18719 1 20 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.776 -0.013 18167 18720 1 20 . 1 1 57 57 ASN C C 75 171.893 171.893 173.054 -1.161 18167 18721 1 20 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.709 0.254 18167 18722 1 20 . 1 1 57 57 ASN CB C 75 42.369 42.369 41.538 0.831 18167 18723 1 20 . 1 1 57 57 ASN H H 75 8.891 8.891 8.347 0.544 18167 18724 1 20 . 1 1 58 58 LEU N N 76 116.438 116.438 123.073 -6.635 18167 18725 1 20 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.040 0.301 18167 18726 1 20 . 1 1 58 58 LEU C C 76 174.630 174.630 174.711 -0.081 18167 18727 1 20 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.492 -0.664 18167 18728 1 20 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.551 0.328 18167 18729 1 20 . 1 1 58 58 LEU H H 76 9.166 9.166 8.267 0.899 18167 18730 1 20 . 1 1 59 59 SER N N 77 114.543 114.543 120.905 -6.362 18167 18731 1 20 . 1 1 59 59 SER HA H 77 5.432 5.432 4.798 0.634 18167 18732 1 20 . 1 1 59 59 SER C C 77 172.602 172.602 172.700 -0.098 18167 18733 1 20 . 1 1 59 59 SER CA C 77 56.593 56.593 57.655 -1.062 18167 18734 1 20 . 1 1 59 59 SER CB C 77 66.720 66.720 65.701 1.018 18167 18735 1 20 . 1 1 59 59 SER H H 77 8.352 8.352 8.693 -0.341 18167 18736 1 20 . 1 1 60 60 VAL N N 78 122.017 122.017 123.031 -1.014 18167 18737 1 20 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.403 0.566 18167 18738 1 20 . 1 1 60 60 VAL C C 78 174.861 174.861 174.489 0.372 18167 18739 1 20 . 1 1 60 60 VAL CA C 78 61.184 61.184 61.099 0.084 18167 18740 1 20 . 1 1 60 60 VAL CB C 78 33.312 33.312 34.266 -0.954 18167 18741 1 20 . 1 1 60 60 VAL H H 78 8.306 8.306 8.594 -0.288 18167 18742 1 20 . 1 1 61 61 ILE N N 79 128.458 128.458 127.371 1.087 18167 18743 1 20 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.627 0.094 18167 18744 1 20 . 1 1 61 61 ILE C C 79 175.639 175.639 174.715 0.924 18167 18745 1 20 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.478 -0.234 18167 18746 1 20 . 1 1 61 61 ILE CB C 79 41.286 41.286 39.534 1.752 18167 18747 1 20 . 1 1 61 61 ILE H H 79 9.193 9.193 7.880 1.313 18167 18748 1 20 . 1 1 62 62 ILE N N 80 129.957 129.957 127.327 2.630 18167 18749 1 20 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.155 -0.113 18167 18750 1 20 . 1 1 62 62 ILE C C 80 175.727 175.727 174.919 0.808 18167 18751 1 20 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.822 0.336 18167 18752 1 20 . 1 1 62 62 ILE CB C 80 39.777 39.777 40.529 -0.752 18167 18753 1 20 . 1 1 62 62 ILE H H 80 9.140 9.140 8.174 0.966 18167 18754 1 20 . 1 1 63 63 SER N N 81 122.084 122.084 120.253 1.831 18167 18755 1 20 . 1 1 63 63 SER HA H 81 4.878 4.878 4.728 0.150 18167 18756 1 20 . 1 1 63 63 SER C C 81 172.933 172.933 172.416 0.517 18167 18757 1 20 . 1 1 63 63 SER CA C 81 56.689 56.689 56.953 -0.264 18167 18758 1 20 . 1 1 63 63 SER CB C 81 65.862 65.862 65.763 0.099 18167 18759 1 20 . 1 1 63 63 SER H H 81 9.079 9.079 9.029 0.050 18167 18760 1 20 . 1 1 64 64 GLU N N 82 121.983 121.983 122.804 -0.821 18167 18761 1 20 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.841 -0.249 18167 18762 1 20 . 1 1 64 64 GLU C C 82 176.501 176.501 176.570 -0.069 18167 18763 1 20 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.627 2.213 18167 18764 1 20 . 1 1 64 64 GLU CB C 82 30.510 30.510 30.836 -0.326 18167 18765 1 20 . 1 1 64 64 GLU H H 82 8.664 8.664 8.448 0.216 18167 18766 1 20 . 1 1 65 65 ILE N N 83 121.194 121.194 122.059 -0.865 18167 18767 1 20 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.628 -0.051 18167 18768 1 20 . 1 1 65 65 ILE C C 83 173.233 173.233 174.124 -0.891 18167 18769 1 20 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.034 0.764 18167 18770 1 20 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.887 1.601 18167 18771 1 20 . 1 1 65 65 ILE H H 83 8.271 8.271 7.903 0.368 18167 18772 1 20 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.487 -0.036 18167 18773 1 20 . 1 1 66 66 PRO C C 84 177.697 177.697 176.939 0.758 18167 18774 1 20 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.527 0.670 18167 18775 1 20 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.536 -0.471 18167 18776 1 20 . 1 1 67 67 SER N N 85 116.018 116.018 117.280 -1.262 18167 18777 1 20 . 1 1 67 67 SER HA H 85 4.149 4.149 4.187 -0.038 18167 18778 1 20 . 1 1 67 67 SER C C 85 174.387 174.387 175.339 -0.952 18167 18779 1 20 . 1 1 67 67 SER CA C 85 60.348 60.348 60.445 -0.097 18167 18780 1 20 . 1 1 67 67 SER CB C 85 63.402 63.402 63.185 0.217 18167 18781 1 20 . 1 1 67 67 SER H H 85 8.465 8.465 8.552 -0.087 18167 18782 1 20 . 1 1 68 68 ASP N N 86 118.568 118.568 118.639 -0.071 18167 18783 1 20 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.572 -0.014 18167 18784 1 20 . 1 1 68 68 ASP C C 86 175.732 175.732 175.941 -0.209 18167 18785 1 20 . 1 1 68 68 ASP CA C 86 53.810 53.810 55.107 -1.297 18167 18786 1 20 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.164 -0.946 18167 18787 1 20 . 1 1 68 68 ASP H H 86 8.531 8.531 8.359 0.172 18167 18788 1 20 . 1 1 69 69 LYS N N 87 119.225 119.225 117.544 1.681 18167 18789 1 20 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.625 0.057 18167 18790 1 20 . 1 1 69 69 LYS C C 87 175.814 175.814 175.002 0.812 18167 18791 1 20 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.260 -0.399 18167 18792 1 20 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.584 -1.878 18167 18793 1 20 . 1 1 69 69 LYS H H 87 7.653 7.653 7.478 0.175 18167 18794 1 20 . 1 1 70 70 THR N N 88 113.175 113.175 114.237 -1.062 18167 18795 1 20 . 1 1 70 70 THR HA H 88 4.529 4.529 4.528 0.001 18167 18796 1 20 . 1 1 70 70 THR C C 88 175.278 175.278 175.784 -0.506 18167 18797 1 20 . 1 1 70 70 THR CA C 88 60.699 60.699 59.363 1.336 18167 18798 1 20 . 1 1 70 70 THR CB C 88 70.710 70.710 70.960 -0.250 18167 18799 1 20 . 1 1 70 70 THR H H 88 8.608 8.608 8.212 0.396 18167 18800 1 20 . 1 1 71 71 LEU N N 89 121.978 121.978 122.014 -0.036 18167 18801 1 20 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.953 -0.016 18167 18802 1 20 . 1 1 71 71 LEU C C 89 177.698 177.698 178.007 -0.309 18167 18803 1 20 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.400 -0.636 18167 18804 1 20 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.715 0.779 18167 18805 1 20 . 1 1 71 71 LEU H H 89 7.998 7.998 8.920 -0.922 18167 18806 1 20 . 1 1 72 72 THR N N 90 106.680 106.680 110.634 -3.954 18167 18807 1 20 . 1 1 72 72 THR HA H 90 4.221 4.221 4.064 0.157 18167 18808 1 20 . 1 1 72 72 THR C C 90 176.248 176.248 175.343 0.905 18167 18809 1 20 . 1 1 72 72 THR CA C 90 63.648 63.648 65.148 -1.500 18167 18810 1 20 . 1 1 72 72 THR CB C 90 68.620 68.620 68.243 0.377 18167 18811 1 20 . 1 1 72 72 THR H H 90 7.798 7.798 7.940 -0.142 18167 18812 1 20 . 1 1 73 73 ASP N N 91 120.626 120.626 120.492 0.134 18167 18813 1 20 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.539 0.071 18167 18814 1 20 . 1 1 73 73 ASP C C 91 177.133 177.133 178.099 -0.966 18167 18815 1 20 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.697 -0.096 18167 18816 1 20 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.656 1.017 18167 18817 1 20 . 1 1 73 73 ASP H H 91 7.805 7.805 8.144 -0.339 18167 18818 1 20 . 1 1 74 74 LEU N N 92 120.238 120.238 119.892 0.346 18167 18819 1 20 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.055 0.166 18167 18820 1 20 . 1 1 74 74 LEU C C 92 176.907 176.907 177.275 -0.368 18167 18821 1 20 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.748 -1.105 18167 18822 1 20 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.795 -1.471 18167 18823 1 20 . 1 1 74 74 LEU H H 92 8.182 8.182 8.243 -0.061 18167 18824 1 20 . 1 1 75 75 GLY N N 93 105.772 105.772 102.409 3.363 18167 18825 1 20 . 1 1 75 75 GLY C C 93 173.853 173.853 172.047 1.806 18167 18826 1 20 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.703 -0.675 18167 18827 1 20 . 1 1 75 75 GLY H H 93 7.713 7.713 7.356 0.357 18167 18828 1 20 . 1 1 76 76 THR N N 94 111.354 111.354 109.434 1.920 18167 18829 1 20 . 1 1 76 76 THR HA H 94 4.426 4.426 4.784 -0.358 18167 18830 1 20 . 1 1 76 76 THR C C 94 174.396 174.396 175.981 -1.585 18167 18831 1 20 . 1 1 76 76 THR CA C 94 61.220 61.220 59.615 1.605 18167 18832 1 20 . 1 1 76 76 THR CB C 94 71.400 71.400 72.134 -0.734 18167 18833 1 20 . 1 1 76 76 THR H H 94 8.842 8.842 8.196 0.646 18167 18834 1 20 . 1 1 77 77 ALA N N 95 122.586 122.586 123.258 -0.672 18167 18835 1 20 . 1 1 77 77 ALA HA H 95 3.326 3.326 4.003 -0.677 18167 18836 1 20 . 1 1 77 77 ALA C C 95 179.120 179.120 179.573 -0.453 18167 18837 1 20 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.374 0.250 18167 18838 1 20 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.970 -0.991 18167 18839 1 20 . 1 1 77 77 ALA H H 95 8.861 8.861 8.964 -0.103 18167 18840 1 20 . 1 1 78 78 THR N N 96 110.298 110.298 115.192 -4.894 18167 18841 1 20 . 1 1 78 78 THR HA H 96 3.479 3.479 3.949 -0.470 18167 18842 1 20 . 1 1 78 78 THR C C 96 175.297 175.297 176.605 -1.308 18167 18843 1 20 . 1 1 78 78 THR CA C 96 66.314 66.314 66.301 0.013 18167 18844 1 20 . 1 1 78 78 THR CB C 96 68.335 68.335 68.546 -0.211 18167 18845 1 20 . 1 1 78 78 THR H H 96 7.757 7.757 7.728 0.029 18167 18846 1 20 . 1 1 79 79 ASP N N 97 122.829 122.829 122.436 0.393 18167 18847 1 20 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.620 -0.208 18167 18848 1 20 . 1 1 79 79 ASP C C 97 179.693 179.693 178.642 1.051 18167 18849 1 20 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.262 0.732 18167 18850 1 20 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.866 -0.335 18167 18851 1 20 . 1 1 79 79 ASP H H 97 7.448 7.448 8.082 -0.634 18167 18852 1 20 . 1 1 80 80 VAL N N 98 121.175 121.175 119.005 2.170 18167 18853 1 20 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.699 -0.217 18167 18854 1 20 . 1 1 80 80 VAL C C 98 178.667 178.667 178.050 0.617 18167 18855 1 20 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.523 0.034 18167 18856 1 20 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.704 -0.196 18167 18857 1 20 . 1 1 80 80 VAL H H 98 8.390 8.390 8.786 -0.396 18167 18858 1 20 . 1 1 81 81 GLY N N 99 108.920 108.920 108.222 0.698 18167 18859 1 20 . 1 1 81 81 GLY C C 99 175.133 175.133 176.043 -0.910 18167 18860 1 20 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.399 1.651 18167 18861 1 20 . 1 1 81 81 GLY H H 99 8.630 8.630 7.890 0.740 18167 18862 1 20 . 1 1 82 82 TYR N N 100 121.598 121.598 121.884 -0.286 18167 18863 1 20 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.193 0.135 18167 18864 1 20 . 1 1 82 82 TYR C C 100 179.383 179.383 178.626 0.757 18167 18865 1 20 . 1 1 82 82 TYR CA C 100 61.739 61.739 62.066 -0.327 18167 18866 1 20 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.189 -1.090 18167 18867 1 20 . 1 1 82 82 TYR H H 100 8.880 8.880 8.205 0.675 18167 18868 1 20 . 1 1 83 83 ARG N N 101 121.436 121.436 119.208 2.228 18167 18869 1 20 . 1 1 83 83 ARG HA H 101 4.087 4.087 3.979 0.108 18167 18870 1 20 . 1 1 83 83 ARG C C 101 178.906 178.906 178.687 0.219 18167 18871 1 20 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.736 -0.189 18167 18872 1 20 . 1 1 83 83 ARG CB C 101 29.623 29.623 30.133 -0.510 18167 18873 1 20 . 1 1 83 83 ARG H H 101 8.102 8.102 8.032 0.070 18167 18874 1 20 . 1 1 84 84 PHE N N 102 121.581 121.581 122.317 -0.736 18167 18875 1 20 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.217 0.170 18167 18876 1 20 . 1 1 84 84 PHE C C 102 177.731 177.731 177.307 0.424 18167 18877 1 20 . 1 1 84 84 PHE CA C 102 60.006 60.006 60.923 -0.917 18167 18878 1 20 . 1 1 84 84 PHE CB C 102 38.241 38.241 39.064 -0.823 18167 18879 1 20 . 1 1 84 84 PHE H H 102 8.511 8.511 8.749 -0.238 18167 18880 1 20 . 1 1 85 85 MET N N 103 117.909 117.909 117.547 0.362 18167 18881 1 20 . 1 1 85 85 MET HA H 103 3.850 3.850 3.709 0.141 18167 18882 1 20 . 1 1 85 85 MET C C 103 178.063 178.063 178.303 -0.240 18167 18883 1 20 . 1 1 85 85 MET CA C 103 57.352 57.352 57.448 -0.096 18167 18884 1 20 . 1 1 85 85 MET CB C 103 33.654 33.654 31.232 2.422 18167 18885 1 20 . 1 1 85 85 MET H H 103 8.350 8.350 7.972 0.378 18167 18886 1 20 . 1 1 86 86 LYS N N 104 118.874 118.874 120.500 -1.626 18167 18887 1 20 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.914 0.090 18167 18888 1 20 . 1 1 86 86 LYS C C 104 177.910 177.910 178.907 -0.997 18167 18889 1 20 . 1 1 86 86 LYS CA C 104 59.448 59.448 60.124 -0.676 18167 18890 1 20 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.345 -0.660 18167 18891 1 20 . 1 1 86 86 LYS H H 104 7.578 7.578 7.680 -0.102 18167 18892 1 20 . 1 1 87 87 THR N N 105 114.567 114.567 116.733 -2.166 18167 18893 1 20 . 1 1 87 87 THR HA H 105 3.949 3.949 3.894 0.055 18167 18894 1 20 . 1 1 87 87 THR C C 105 176.912 176.912 176.756 0.156 18167 18895 1 20 . 1 1 87 87 THR CA C 105 66.108 66.108 66.597 -0.490 18167 18896 1 20 . 1 1 87 87 THR CB C 105 68.909 68.909 68.693 0.216 18167 18897 1 20 . 1 1 87 87 THR H H 105 7.667 7.667 8.017 -0.350 18167 18898 1 20 . 1 1 88 88 VAL N N 106 122.160 122.160 119.999 2.161 18167 18899 1 20 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.516 -0.025 18167 18900 1 20 . 1 1 88 88 VAL C C 106 178.950 178.950 177.787 1.163 18167 18901 1 20 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.655 0.169 18167 18902 1 20 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.281 0.228 18167 18903 1 20 . 1 1 88 88 VAL H H 106 7.600 7.600 7.415 0.185 18167 18904 1 20 . 1 1 89 89 ASN N N 107 120.741 120.741 119.103 1.638 18167 18905 1 20 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.249 0.241 18167 18906 1 20 . 1 1 89 89 ASN C C 107 178.483 178.483 176.687 1.796 18167 18907 1 20 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.946 -0.004 18167 18908 1 20 . 1 1 89 89 ASN CB C 107 37.890 37.890 38.303 -0.413 18167 18909 1 20 . 1 1 89 89 ASN H H 107 8.501 8.501 8.255 0.246 18167 18910 1 20 . 1 1 90 90 ASP N N 108 121.211 121.211 119.914 1.297 18167 18911 1 20 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.276 0.204 18167 18912 1 20 . 1 1 90 90 ASP C C 108 177.598 177.598 177.158 0.440 18167 18913 1 20 . 1 1 90 90 ASP CA C 108 56.367 56.367 57.094 -0.727 18167 18914 1 20 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.864 -0.622 18167 18915 1 20 . 1 1 90 90 ASP H H 108 8.824 8.824 8.450 0.374 18167 18916 1 20 . 1 1 91 91 ALA N N 109 121.181 121.181 120.210 0.971 18167 18917 1 20 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.269 0.123 18167 18918 1 20 . 1 1 91 91 ALA C C 109 177.936 177.936 178.465 -0.529 18167 18919 1 20 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.991 -1.299 18167 18920 1 20 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.148 -0.260 18167 18921 1 20 . 1 1 91 91 ALA H H 109 7.507 7.507 7.445 0.062 18167 18922 1 20 . 1 1 92 92 SER N N 110 113.785 113.785 113.276 0.509 18167 18923 1 20 . 1 1 92 92 SER HA H 110 4.537 4.537 4.613 -0.076 18167 18924 1 20 . 1 1 92 92 SER C C 110 174.252 174.252 175.161 -0.909 18167 18925 1 20 . 1 1 92 92 SER CA C 110 58.565 58.565 57.725 0.840 18167 18926 1 20 . 1 1 92 92 SER CB C 110 64.795 64.795 64.156 0.639 18167 18927 1 20 . 1 1 92 92 SER H H 110 7.611 7.611 7.698 -0.087 18167 18928 1 20 . 1 1 93 93 GLN N N 111 119.994 119.994 122.793 -2.799 18167 18929 1 20 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.080 0.343 18167 18930 1 20 . 1 1 93 93 GLN C C 111 176.441 176.441 177.522 -1.081 18167 18931 1 20 . 1 1 93 93 GLN CA C 111 55.792 55.792 58.867 -3.075 18167 18932 1 20 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.574 0.269 18167 18933 1 20 . 1 1 93 93 GLN H H 111 8.414 8.414 8.377 0.037 18167 18934 1 20 . 1 1 94 94 GLY N N 112 107.948 107.948 106.700 1.248 18167 18935 1 20 . 1 1 94 94 GLY C C 112 174.406 174.406 175.243 -0.837 18167 18936 1 20 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.769 -0.827 18167 18937 1 20 . 1 1 94 94 GLY H H 112 8.467 8.467 8.503 -0.036 18167 18938 1 20 . 1 1 95 95 ASP N N 113 119.500 119.500 119.434 0.066 18167 18939 1 20 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.615 -0.059 18167 18940 1 20 . 1 1 95 95 ASP C C 113 175.438 175.438 175.848 -0.410 18167 18941 1 20 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.537 0.143 18167 18942 1 20 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.791 -1.597 18167 18943 1 20 . 1 1 95 95 ASP H H 113 8.423 8.423 7.869 0.554 18167 18944 1 20 . 1 1 96 96 ARG N N 114 118.992 118.992 122.043 -3.051 18167 18945 1 20 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.320 0.741 18167 18946 1 20 . 1 1 96 96 ARG C C 114 175.699 175.699 174.172 1.527 18167 18947 1 20 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.203 -1.161 18167 18948 1 20 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.682 0.958 18167 18949 1 20 . 1 1 96 96 ARG H H 114 7.507 7.507 7.829 -0.322 18167 18950 1 20 . 1 1 97 97 GLN N N 115 121.149 121.149 120.644 0.505 18167 18951 1 20 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.741 -0.072 18167 18952 1 20 . 1 1 97 97 GLN C C 115 173.696 173.696 172.993 0.703 18167 18953 1 20 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.331 0.226 18167 18954 1 20 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.373 -1.300 18167 18955 1 20 . 1 1 97 97 GLN H H 115 8.814 8.814 8.165 0.649 18167 18956 1 20 . 1 1 98 98 ALA N N 116 129.789 129.789 123.681 6.108 18167 18957 1 20 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.292 0.024 18167 18958 1 20 . 1 1 98 98 ALA C C 116 176.503 176.503 176.373 0.130 18167 18959 1 20 . 1 1 98 98 ALA CA C 116 50.814 50.814 49.934 0.880 18167 18960 1 20 . 1 1 98 98 ALA CB C 116 21.042 21.042 21.508 -0.466 18167 18961 1 20 . 1 1 98 98 ALA H H 116 9.836 9.836 9.233 0.603 18167 18962 1 20 . 1 1 99 99 GLU N N 117 122.780 122.780 123.054 -0.274 18167 18963 1 20 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.676 -0.073 18167 18964 1 20 . 1 1 99 99 GLU C C 117 174.361 174.361 175.315 -0.954 18167 18965 1 20 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.570 -0.250 18167 18966 1 20 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.563 0.749 18167 18967 1 20 . 1 1 99 99 GLU H H 117 9.252 9.252 8.580 0.672 18167 18968 1 20 . 1 1 100 100 LEU N N 118 127.043 127.043 128.676 -1.633 18167 18969 1 20 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.341 -0.034 18167 18970 1 20 . 1 1 100 100 LEU C C 118 176.338 176.338 176.549 -0.211 18167 18971 1 20 . 1 1 100 100 LEU CA C 118 55.522 55.522 54.915 0.607 18167 18972 1 20 . 1 1 100 100 LEU CB C 118 42.641 42.641 41.882 0.759 18167 18973 1 20 . 1 1 100 100 LEU H H 118 8.765 8.765 8.819 -0.054 18167 18974 1 20 . 1 1 101 101 ILE N N 119 128.101 128.101 127.338 0.763 18167 18975 1 20 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.856 0.240 18167 18976 1 20 . 1 1 101 101 ILE C C 119 175.634 175.634 176.313 -0.679 18167 18977 1 20 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.338 -0.935 18167 18978 1 20 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.630 0.428 18167 18979 1 20 . 1 1 101 101 ILE H H 119 9.244 9.244 8.646 0.598 18167 18980 1 20 . 1 1 102 102 ASN N N 120 114.715 114.715 114.654 0.061 18167 18981 1 20 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.846 0.109 18167 18982 1 20 . 1 1 102 102 ASN C C 120 172.326 172.326 172.634 -0.308 18167 18983 1 20 . 1 1 102 102 ASN CA C 120 53.373 53.373 51.982 1.391 18167 18984 1 20 . 1 1 102 102 ASN CB C 120 42.887 42.887 40.698 2.189 18167 18985 1 20 . 1 1 102 102 ASN H H 120 7.989 7.989 7.903 0.086 18167 18986 1 20 . 1 1 103 103 ALA N N 121 125.011 125.011 122.341 2.670 18167 18987 1 20 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.187 0.270 18167 18988 1 20 . 1 1 103 103 ALA C C 121 175.068 175.068 175.610 -0.542 18167 18989 1 20 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.620 -0.261 18167 18990 1 20 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.154 1.255 18167 18991 1 20 . 1 1 103 103 ALA H H 121 8.182 8.182 8.414 -0.232 18167 18992 1 20 . 1 1 104 104 GLU N N 122 121.148 121.148 120.539 0.609 18167 18993 1 20 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.624 0.071 18167 18994 1 20 . 1 1 104 104 GLU C C 122 173.666 173.666 173.918 -0.252 18167 18995 1 20 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.946 0.147 18167 18996 1 20 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.515 -0.005 18167 18997 1 20 . 1 1 104 104 GLU H H 122 8.817 8.817 8.285 0.532 18167 18998 1 20 . 1 1 105 105 ALA N N 123 124.441 124.441 123.129 1.312 18167 18999 1 20 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.410 0.117 18167 19000 1 20 . 1 1 105 105 ALA C C 123 176.479 176.479 176.538 -0.059 18167 19001 1 20 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.771 0.360 18167 19002 1 20 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.888 0.963 18167 19003 1 20 . 1 1 105 105 ALA H H 123 8.860 8.860 8.383 0.477 18167 19004 1 20 . 1 1 106 106 ARG N N 124 120.892 120.892 119.893 0.999 18167 19005 1 20 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.747 0.076 18167 19006 1 20 . 1 1 106 106 ARG C C 124 172.820 172.820 174.656 -1.836 18167 19007 1 20 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.295 0.477 18167 19008 1 20 . 1 1 106 106 ARG CB C 124 33.270 33.270 33.931 -0.661 18167 19009 1 20 . 1 1 106 106 ARG H H 124 9.209 9.209 8.870 0.339 18167 19010 1 20 . 1 1 107 107 ASP N N 125 122.706 122.706 123.835 -1.129 18167 19011 1 20 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.446 -0.207 18167 19012 1 20 . 1 1 107 107 ASP C C 125 176.097 176.097 175.568 0.529 18167 19013 1 20 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.463 -0.519 18167 19014 1 20 . 1 1 107 107 ASP CB C 125 43.138 43.138 41.851 1.287 18167 19015 1 20 . 1 1 107 107 ASP H H 125 8.633 8.633 8.660 -0.027 18167 19016 1 20 . 1 1 108 108 GLU N N 126 126.120 126.120 123.309 2.811 18167 19017 1 20 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.682 0.023 18167 19018 1 20 . 1 1 108 108 GLU C C 126 175.768 175.768 176.013 -0.245 18167 19019 1 20 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.404 -0.387 18167 19020 1 20 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.908 -3.484 18167 19021 1 20 . 1 1 108 108 GLU H H 126 9.152 9.152 9.223 -0.071 18167 19022 1 20 . 1 1 109 109 ASP N N 127 126.277 126.277 123.629 2.648 18167 19023 1 20 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.378 -0.024 18167 19024 1 20 . 1 1 109 109 ASP C C 127 175.414 175.414 176.665 -1.251 18167 19025 1 20 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.666 0.724 18167 19026 1 20 . 1 1 109 109 ASP CB C 127 40.242 40.242 40.445 -0.203 18167 19027 1 20 . 1 1 109 109 ASP H H 127 9.067 9.067 9.019 0.048 18167 19028 1 20 . 1 1 110 110 GLY N N 128 106.859 106.859 103.880 2.979 18167 19029 1 20 . 1 1 110 110 GLY C C 128 173.761 173.761 173.908 -0.147 18167 19030 1 20 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.194 0.048 18167 19031 1 20 . 1 1 110 110 GLY H H 128 9.008 9.008 8.230 0.778 18167 19032 1 20 . 1 1 111 111 GLN N N 129 123.033 123.033 120.524 2.509 18167 19033 1 20 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.542 -0.159 18167 19034 1 20 . 1 1 111 111 GLN C C 129 173.901 173.901 174.278 -0.377 18167 19035 1 20 . 1 1 111 111 GLN CA C 129 53.936 53.936 53.914 0.022 18167 19036 1 20 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.299 -1.116 18167 19037 1 20 . 1 1 111 111 GLN H H 129 7.825 7.825 8.250 -0.425 18167 19038 1 20 . 1 1 112 112 VAL N N 130 128.263 128.263 126.134 2.129 18167 19039 1 20 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.758 0.114 18167 19040 1 20 . 1 1 112 112 VAL C C 130 175.591 175.591 174.822 0.769 18167 19041 1 20 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.159 0.944 18167 19042 1 20 . 1 1 112 112 VAL CB C 130 32.373 32.373 32.722 -0.349 18167 19043 1 20 . 1 1 112 112 VAL H H 130 8.330 8.330 8.378 -0.048 18167 19044 1 20 . 1 1 113 113 TYR N N 131 126.702 126.702 124.752 1.950 18167 19045 1 20 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.825 0.225 18167 19046 1 20 . 1 1 113 113 TYR C C 131 175.477 175.477 174.862 0.615 18167 19047 1 20 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.297 0.126 18167 19048 1 20 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.822 0.667 18167 19049 1 20 . 1 1 113 113 TYR H H 131 9.136 9.136 9.163 -0.027 18167 19050 1 20 . 1 1 114 114 TYR N N 132 121.626 121.626 123.973 -2.347 18167 19051 1 20 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.116 0.714 18167 19052 1 20 . 1 1 114 114 TYR C C 132 175.368 175.368 175.632 -0.264 18167 19053 1 20 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.993 -1.925 18167 19054 1 20 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.232 -0.915 18167 19055 1 20 . 1 1 114 114 TYR H H 132 9.577 9.577 9.575 0.002 18167 19056 1 20 . 1 1 115 115 THR N N 133 120.018 120.018 121.114 -1.096 18167 19057 1 20 . 1 1 115 115 THR HA H 133 5.486 5.486 4.644 0.842 18167 19058 1 20 . 1 1 115 115 THR C C 133 174.327 174.327 172.773 1.554 18167 19059 1 20 . 1 1 115 115 THR CA C 133 61.648 61.648 62.375 -0.727 18167 19060 1 20 . 1 1 115 115 THR CB C 133 69.622 69.622 70.049 -0.427 18167 19061 1 20 . 1 1 115 115 THR H H 133 9.351 9.351 9.341 0.010 18167 19062 1 20 . 1 1 116 116 LEU N N 134 127.249 127.249 128.340 -1.091 18167 19063 1 20 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.851 0.444 18167 19064 1 20 . 1 1 116 116 LEU C C 134 174.347 174.347 174.342 0.005 18167 19065 1 20 . 1 1 116 116 LEU CA C 134 52.628 52.628 53.590 -0.963 18167 19066 1 20 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.708 -0.173 18167 19067 1 20 . 1 1 116 116 LEU H H 134 10.010 10.010 9.320 0.690 18167 19068 1 20 . 1 1 117 117 GLU N N 135 124.969 124.969 127.741 -2.772 18167 19069 1 20 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.687 0.891 18167 19070 1 20 . 1 1 117 117 GLU C C 135 175.635 175.635 174.990 0.645 18167 19071 1 20 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.976 -0.837 18167 19072 1 20 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.336 -0.173 18167 19073 1 20 . 1 1 117 117 GLU H H 135 9.109 9.109 8.502 0.607 18167 19074 1 20 . 1 1 118 118 TYR N N 136 125.868 125.868 122.798 3.070 18167 19075 1 20 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.540 -0.265 18167 19076 1 20 . 1 1 118 118 TYR C C 136 170.317 170.317 172.686 -2.369 18167 19077 1 20 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.959 0.053 18167 19078 1 20 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.093 0.423 18167 19079 1 20 . 1 1 118 118 TYR H H 136 8.973 8.973 8.475 0.498 18167 19080 1 20 . 1 1 119 119 ARG N N 137 115.256 115.256 116.601 -1.345 18167 19081 1 20 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.317 0.760 18167 19082 1 20 . 1 1 119 119 ARG C C 137 173.643 173.643 174.055 -0.412 18167 19083 1 20 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.336 -1.213 18167 19084 1 20 . 1 1 119 119 ARG CB C 137 33.185 33.185 33.957 -0.772 18167 19085 1 20 . 1 1 119 119 ARG H H 137 8.920 8.920 8.681 0.239 18167 19086 1 20 . 1 1 120 120 VAL N N 138 119.767 119.767 120.732 -0.965 18167 19087 1 20 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.486 0.300 18167 19088 1 20 . 1 1 120 120 VAL C C 138 174.355 174.355 174.853 -0.498 18167 19089 1 20 . 1 1 120 120 VAL CA C 138 61.783 61.783 61.717 0.066 18167 19090 1 20 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.246 0.916 18167 19091 1 20 . 1 1 120 120 VAL H H 138 8.430 8.430 8.542 -0.112 18167 19092 1 20 . 1 1 121 121 LEU N N 139 129.915 129.915 124.967 4.948 18167 19093 1 20 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.112 -0.027 18167 19094 1 20 . 1 1 121 121 LEU C C 139 176.376 176.376 174.670 1.706 18167 19095 1 20 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.492 0.167 18167 19096 1 20 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.830 -1.708 18167 19097 1 20 . 1 1 121 121 LEU H H 139 9.333 9.333 8.638 0.695 18167 19098 1 20 . 1 1 122 122 VAL N N 140 120.956 120.956 121.669 -0.713 18167 19099 1 20 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.454 -0.079 18167 19100 1 20 . 1 1 122 122 VAL C C 140 177.264 177.264 177.367 -0.103 18167 19101 1 20 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.446 1.022 18167 19102 1 20 . 1 1 122 122 VAL CB C 140 32.874 32.874 32.962 -0.088 18167 19103 1 20 . 1 1 122 122 VAL H H 140 8.655 8.655 7.997 0.658 18167 19104 1 20 . 1 1 123 123 GLY N N 141 119.059 119.059 118.621 0.438 18167 19105 1 20 . 1 1 123 123 GLY C C 141 174.482 174.482 174.198 0.284 18167 19106 1 20 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.505 0.663 18167 19107 1 20 . 1 1 123 123 GLY H H 141 8.940 8.940 8.317 0.623 18167 19108 1 20 . 1 1 124 124 ASP N N 142 124.652 124.652 124.790 -0.138 18167 19109 1 20 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.847 -0.213 18167 19110 1 20 . 1 1 124 124 ASP C C 142 175.588 175.588 175.260 0.328 18167 19111 1 20 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.776 0.614 18167 19112 1 20 . 1 1 124 124 ASP CB C 142 41.264 41.264 40.982 0.282 18167 19113 1 20 . 1 1 124 124 ASP H H 142 8.722 8.722 8.701 0.021 18167 19114 1 20 . 1 1 125 125 ASN N N 143 118.203 118.203 119.072 -0.869 18167 19115 1 20 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.985 -0.058 18167 19116 1 20 . 1 1 125 125 ASN C C 143 174.095 174.095 173.544 0.551 18167 19117 1 20 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.275 0.131 18167 19118 1 20 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.513 -0.450 18167 19119 1 20 . 1 1 125 125 ASN H H 143 8.023 8.023 8.063 -0.040 18167 19120 1 20 . 1 1 126 126 VAL N N 144 123.424 123.424 120.885 2.539 18167 19121 1 20 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.942 0.138 18167 19122 1 20 . 1 1 126 126 VAL C C 144 175.767 175.767 175.770 -0.003 18167 19123 1 20 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.397 0.912 18167 19124 1 20 . 1 1 126 126 VAL H H 144 8.857 8.857 8.453 0.404 18167 19125 1 20 . 1 1 127 127 GLU N N 145 130.709 130.709 128.849 1.860 18167 19126 1 20 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.258 0.147 18167 19127 1 20 . 1 1 127 127 GLU C C 145 176.522 176.522 176.214 0.308 18167 19128 1 20 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.314 -0.350 18167 19129 1 20 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.297 1.058 18167 19130 1 20 . 1 1 127 127 GLU H H 145 9.487 9.487 9.025 0.462 18167 19131 1 20 . 1 1 128 128 ARG N N 146 113.222 113.222 112.849 0.373 18167 19132 1 20 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.556 0.505 18167 19133 1 20 . 1 1 128 128 ARG C C 146 172.055 172.055 173.785 -1.730 18167 19134 1 20 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.496 -1.115 18167 19135 1 20 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.234 1.757 18167 19136 1 20 . 1 1 128 128 ARG H H 146 7.657 7.657 7.592 0.065 18167 19137 1 20 . 1 1 129 129 HIS N N 147 125.158 125.158 117.628 7.530 18167 19138 1 20 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.478 0.154 18167 19139 1 20 . 1 1 129 129 HIS C C 147 172.407 172.407 172.885 -0.478 18167 19140 1 20 . 1 1 129 129 HIS CA C 147 54.196 54.196 56.178 -1.982 18167 19141 1 20 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.283 0.653 18167 19142 1 20 . 1 1 129 129 HIS H H 147 9.295 9.295 8.537 0.758 18167 19143 1 20 . 1 1 130 130 ASP N N 148 122.383 122.383 120.069 2.314 18167 19144 1 20 . 1 1 130 130 ASP HA H 148 6.127 6.127 4.788 1.339 18167 19145 1 20 . 1 1 130 130 ASP C C 148 174.350 174.350 172.925 1.425 18167 19146 1 20 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.587 -0.640 18167 19147 1 20 . 1 1 130 130 ASP CB C 148 42.968 42.968 45.033 -2.065 18167 19148 1 20 . 1 1 130 130 ASP H H 148 8.879 8.879 7.999 0.880 18167 19149 1 20 . 1 1 131 131 LEU N N 149 121.444 121.444 123.440 -1.996 18167 19150 1 20 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.786 0.503 18167 19151 1 20 . 1 1 131 131 LEU C C 149 174.289 174.289 173.856 0.433 18167 19152 1 20 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.301 0.557 18167 19153 1 20 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.507 1.361 18167 19154 1 20 . 1 1 131 131 LEU H H 149 8.916 8.916 8.171 0.745 18167 19155 1 20 . 1 1 132 132 ALA N N 150 128.498 128.498 128.526 -0.028 18167 19156 1 20 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.599 0.431 18167 19157 1 20 . 1 1 132 132 ALA C C 150 176.044 176.044 175.820 0.224 18167 19158 1 20 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.393 -0.992 18167 19159 1 20 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.602 -0.778 18167 19160 1 20 . 1 1 132 132 ALA H H 150 9.920 9.920 9.256 0.664 18167 19161 1 20 . 1 1 133 133 SER N N 151 116.937 116.937 118.596 -1.659 18167 19162 1 20 . 1 1 133 133 SER HA H 151 5.812 5.812 5.510 0.302 18167 19163 1 20 . 1 1 133 133 SER C C 151 173.367 173.367 173.377 -0.010 18167 19164 1 20 . 1 1 133 133 SER CA C 151 56.394 56.394 56.940 -0.546 18167 19165 1 20 . 1 1 133 133 SER CB C 151 65.448 65.448 65.727 -0.279 18167 19166 1 20 . 1 1 133 133 SER H H 151 9.360 9.360 8.852 0.508 18167 19167 1 20 . 1 1 134 134 VAL N N 152 126.011 126.011 124.942 1.069 18167 19168 1 20 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.609 0.800 18167 19169 1 20 . 1 1 134 134 VAL C C 152 175.735 175.735 174.856 0.879 18167 19170 1 20 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.089 -0.926 18167 19171 1 20 . 1 1 134 134 VAL CB C 152 35.920 35.920 33.650 2.270 18167 19172 1 20 . 1 1 134 134 VAL H H 152 9.558 9.558 9.163 0.395 18167 19173 1 20 . 1 1 135 135 THR N N 153 118.998 118.998 123.424 -4.426 18167 19174 1 20 . 1 1 135 135 THR HA H 153 4.723 4.723 4.794 -0.071 18167 19175 1 20 . 1 1 135 135 THR C C 153 171.746 171.746 173.319 -1.573 18167 19176 1 20 . 1 1 135 135 THR CA C 153 61.221 61.221 61.375 -0.154 18167 19177 1 20 . 1 1 135 135 THR CB C 153 69.300 69.300 72.427 -3.127 18167 19178 1 20 . 1 1 135 135 THR H H 153 8.960 8.960 9.194 -0.234 18167 19179 1 20 . 1 1 136 136 THR N N 154 109.883 109.883 116.557 -6.674 18167 19180 1 20 . 1 1 136 136 THR HA H 154 5.636 5.636 5.362 0.274 18167 19181 1 20 . 1 1 136 136 THR C C 154 173.904 173.904 173.909 -0.005 18167 19182 1 20 . 1 1 136 136 THR CA C 154 58.391 58.391 59.312 -0.921 18167 19183 1 20 . 1 1 136 136 THR CB C 154 71.387 71.387 70.346 1.041 18167 19184 1 20 . 1 1 136 136 THR H H 154 7.940 7.940 8.522 -0.582 18167 19185 1 20 . 1 1 137 137 ASN N N 155 115.138 115.138 121.461 -6.323 18167 19186 1 20 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.755 0.151 18167 19187 1 20 . 1 1 137 137 ASN C C 155 174.994 174.994 174.654 0.340 18167 19188 1 20 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.282 1.063 18167 19189 1 20 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.195 1.612 18167 19190 1 20 . 1 1 137 137 ASN H H 155 8.938 8.938 8.559 0.379 18167 19191 1 20 . 1 1 138 138 ARG N N 156 125.040 125.040 126.886 -1.846 18167 19192 1 20 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.988 -0.031 18167 19193 1 20 . 1 1 138 138 ARG C C 156 175.870 175.870 175.676 0.194 18167 19194 1 20 . 1 1 138 138 ARG CA C 156 57.124 57.124 56.923 0.201 18167 19195 1 20 . 1 1 138 138 ARG CB C 156 27.659 27.659 29.296 -1.637 18167 19196 1 20 . 1 1 138 138 ARG H H 156 9.364 9.364 8.885 0.479 18167 19197 1 20 . 1 1 139 139 GLY N N 157 104.408 104.408 103.162 1.246 18167 19198 1 20 . 1 1 139 139 GLY C C 157 173.563 173.563 173.967 -0.404 18167 19199 1 20 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.121 0.700 18167 19200 1 20 . 1 1 139 139 GLY H H 157 8.862 8.862 8.589 0.273 18167 19201 1 20 . 1 1 140 140 LYS N N 158 117.999 117.999 121.019 -3.020 18167 19202 1 20 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.823 0.137 18167 19203 1 20 . 1 1 140 140 LYS C C 158 174.527 174.527 175.503 -0.976 18167 19204 1 20 . 1 1 140 140 LYS CA C 158 53.722 53.722 55.062 -1.340 18167 19205 1 20 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.914 0.950 18167 19206 1 20 . 1 1 140 140 LYS H H 158 7.718 7.718 7.553 0.165 18167 19207 1 20 . 1 1 141 141 LEU N N 159 124.332 124.332 127.313 -2.981 18167 19208 1 20 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.456 0.174 18167 19209 1 20 . 1 1 141 141 LEU C C 159 175.337 175.337 174.863 0.474 18167 19210 1 20 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.305 -0.067 18167 19211 1 20 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.159 0.713 18167 19212 1 20 . 1 1 141 141 LEU H H 159 9.006 9.006 9.142 -0.136 18167 19213 1 20 . 1 1 142 142 ILE N N 160 128.619 128.619 128.011 0.608 18167 19214 1 20 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.866 -0.137 18167 19215 1 20 . 1 1 142 142 ILE C C 160 173.414 173.414 174.821 -1.407 18167 19216 1 20 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.325 0.908 18167 19217 1 20 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.987 -0.803 18167 19218 1 20 . 1 1 142 142 ILE H H 160 9.129 9.129 8.958 0.171 18167 19219 1 20 . 1 1 143 143 THR N N 161 122.266 122.266 123.031 -0.765 18167 19220 1 20 . 1 1 143 143 THR HA H 161 4.797 4.797 5.264 -0.467 18167 19221 1 20 . 1 1 143 143 THR C C 161 171.903 171.903 173.244 -1.341 18167 19222 1 20 . 1 1 143 143 THR CA C 161 61.666 61.666 61.002 0.664 18167 19223 1 20 . 1 1 143 143 THR CB C 161 70.025 70.025 71.210 -1.185 18167 19224 1 20 . 1 1 143 143 THR H H 161 8.818 8.818 8.413 0.405 18167 19225 1 20 . 1 1 144 144 PHE N N 162 130.742 130.742 126.504 4.238 18167 19226 1 20 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.653 0.137 18167 19227 1 20 . 1 1 144 144 PHE C C 162 173.404 173.404 173.571 -0.167 18167 19228 1 20 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.688 -1.468 18167 19229 1 20 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.191 -1.451 18167 19230 1 20 . 1 1 144 144 PHE H H 162 9.219 9.219 9.167 0.052 18167 19231 1 20 . 1 1 145 145 ASP N N 163 127.154 127.154 127.887 -0.733 18167 19232 1 20 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.415 -0.459 18167 19233 1 20 . 1 1 145 145 ASP C C 163 174.933 174.933 174.641 0.292 18167 19234 1 20 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.024 0.386 18167 19235 1 20 . 1 1 145 145 ASP CB C 163 43.324 43.324 43.803 -0.479 18167 19236 1 20 . 1 1 145 145 ASP H H 163 8.862 8.862 8.191 0.671 18167 19237 1 20 . 1 1 146 146 LEU N N 164 131.658 131.658 126.781 4.877 18167 19238 1 20 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.713 -0.118 18167 19239 1 20 . 1 1 146 146 LEU C C 164 174.511 174.511 175.412 -0.901 18167 19240 1 20 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.050 -0.079 18167 19241 1 20 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.015 -1.918 18167 19242 1 20 . 1 1 146 146 LEU H H 164 8.938 8.938 8.888 0.050 18167 19243 1 20 . 1 1 147 147 SER N N 165 114.966 114.966 116.157 -1.191 18167 19244 1 20 . 1 1 147 147 SER HA H 165 5.186 5.186 5.100 0.086 18167 19245 1 20 . 1 1 147 147 SER C C 165 173.417 173.417 173.720 -0.303 18167 19246 1 20 . 1 1 147 147 SER CA C 165 56.600 56.600 57.271 -0.671 18167 19247 1 20 . 1 1 147 147 SER CB C 165 67.205 67.205 65.777 1.428 18167 19248 1 20 . 1 1 147 147 SER H H 165 8.995 8.995 8.514 0.481 18167 19249 1 20 . 1 1 148 148 THR N N 166 118.620 118.620 120.146 -1.526 18167 19250 1 20 . 1 1 148 148 THR HA H 166 5.144 5.144 4.744 0.400 18167 19251 1 20 . 1 1 148 148 THR C C 166 173.151 173.151 172.939 0.212 18167 19252 1 20 . 1 1 148 148 THR CA C 166 60.362 60.362 62.061 -1.699 18167 19253 1 20 . 1 1 148 148 THR CB C 166 69.214 69.214 73.216 -4.002 18167 19254 1 20 . 1 1 148 148 THR H H 166 8.614 8.614 7.977 0.637 18167 19255 1 20 . 1 1 149 149 ALA N N 167 124.595 124.595 124.791 -0.196 18167 19256 1 20 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.367 0.238 18167 19257 1 20 . 1 1 149 149 ALA C C 167 179.460 179.460 178.363 1.097 18167 19258 1 20 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.357 -0.801 18167 19259 1 20 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.783 0.475 18167 19260 1 20 . 1 1 149 149 ALA H H 167 8.107 8.107 8.856 -0.749 18167 19261 1 20 . 1 1 150 150 GLU N N 168 123.906 123.906 121.922 1.984 18167 19262 1 20 . 1 1 150 150 GLU HA H 168 4.498 4.498 4.067 0.431 18167 19263 1 20 . 1 1 150 150 GLU C C 168 178.587 178.587 178.077 0.510 18167 19264 1 20 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.337 -0.391 18167 19265 1 20 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.335 -0.628 18167 19266 1 20 . 1 1 150 150 GLU H H 168 8.471 8.471 9.098 -0.627 18167 19267 1 20 . 1 1 151 151 ASP N N 169 114.005 114.005 119.023 -5.018 18167 19268 1 20 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.478 0.005 18167 19269 1 20 . 1 1 151 151 ASP C C 169 177.260 177.260 177.614 -0.354 18167 19270 1 20 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.536 -0.618 18167 19271 1 20 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.217 -0.132 18167 19272 1 20 . 1 1 151 151 ASP H H 169 8.575 8.575 8.815 -0.240 18167 19273 1 20 . 1 1 152 152 ARG N N 170 118.283 118.283 116.762 1.521 18167 19274 1 20 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.712 -0.381 18167 19275 1 20 . 1 1 152 152 ARG C C 170 177.094 177.094 177.197 -0.103 18167 19276 1 20 . 1 1 152 152 ARG CA C 170 55.836 55.836 55.472 0.364 18167 19277 1 20 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.602 0.382 18167 19278 1 20 . 1 1 152 152 ARG H H 170 7.663 7.663 7.592 0.071 18167 19279 1 20 . 1 1 153 153 TRP N N 171 122.336 122.336 123.556 -1.220 18167 19280 1 20 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.476 -0.566 18167 19281 1 20 . 1 1 153 153 TRP C C 171 175.820 175.820 176.402 -0.582 18167 19282 1 20 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.908 -1.032 18167 19283 1 20 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.317 0.091 18167 19284 1 20 . 1 1 153 153 TRP H H 171 7.689 7.689 7.934 -0.245 18167 19285 1 20 . 1 1 154 154 ASP N N 172 114.179 114.179 117.073 -2.894 18167 19286 1 20 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.475 -0.458 18167 19287 1 20 . 1 1 154 154 ASP C C 172 178.442 178.442 179.221 -0.779 18167 19288 1 20 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.295 0.207 18167 19289 1 20 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.954 -0.790 18167 19290 1 20 . 1 1 154 154 ASP H H 172 8.690 8.690 8.470 0.220 18167 19291 1 20 . 1 1 155 155 THR N N 173 114.661 114.661 116.434 -1.773 18167 19292 1 20 . 1 1 155 155 THR HA H 173 3.990 3.990 4.094 -0.104 18167 19293 1 20 . 1 1 155 155 THR C C 173 175.985 175.985 175.791 0.194 18167 19294 1 20 . 1 1 155 155 THR CA C 173 65.585 65.585 65.506 0.079 18167 19295 1 20 . 1 1 155 155 THR CB C 173 69.076 69.076 69.223 -0.147 18167 19296 1 20 . 1 1 155 155 THR H H 173 7.635 7.635 7.722 -0.087 18167 19297 1 20 . 1 1 156 156 VAL N N 174 113.687 113.687 113.342 0.345 18167 19298 1 20 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.319 -0.042 18167 19299 1 20 . 1 1 156 156 VAL C C 174 176.185 176.185 174.854 1.331 18167 19300 1 20 . 1 1 156 156 VAL CA C 174 61.444 61.444 59.849 1.595 18167 19301 1 20 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.040 3.113 18167 19302 1 20 . 1 1 156 156 VAL H H 174 7.447 7.447 7.830 -0.383 18167 19303 1 20 . 1 1 157 157 LYS N N 175 123.084 123.084 120.433 2.651 18167 19304 1 20 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.693 -0.849 18167 19305 1 20 . 1 1 157 157 LYS C C 175 177.321 177.321 177.905 -0.584 18167 19306 1 20 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.663 0.555 18167 19307 1 20 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.538 -1.343 18167 19308 1 20 . 1 1 157 157 LYS H H 175 7.548 7.548 7.251 0.297 18167 19309 1 20 . 1 1 158 158 SER N N 176 114.046 114.046 114.557 -0.511 18167 19310 1 20 . 1 1 158 158 SER HA H 176 3.820 3.820 4.178 -0.358 18167 19311 1 20 . 1 1 158 158 SER C C 176 176.927 176.927 176.173 0.754 18167 19312 1 20 . 1 1 158 158 SER CA C 176 61.600 61.600 60.387 1.213 18167 19313 1 20 . 1 1 158 158 SER CB C 176 62.048 62.048 62.611 -0.563 18167 19314 1 20 . 1 1 158 158 SER H H 176 8.161 8.161 7.929 0.232 18167 19315 1 20 . 1 1 159 159 LEU N N 177 126.125 126.125 123.301 2.824 18167 19316 1 20 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.803 0.370 18167 19317 1 20 . 1 1 159 159 LEU C C 177 178.403 178.403 177.761 0.642 18167 19318 1 20 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.776 -0.074 18167 19319 1 20 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.261 -0.185 18167 19320 1 20 . 1 1 159 159 LEU H H 177 7.587 7.587 7.244 0.343 18167 19321 1 20 . 1 1 160 160 PHE N N 178 119.582 119.582 117.259 2.323 18167 19322 1 20 . 1 1 160 160 PHE HA H 178 4.282 4.282 4.051 0.231 18167 19323 1 20 . 1 1 160 160 PHE C C 178 177.277 177.277 177.911 -0.634 18167 19324 1 20 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.481 -2.771 18167 19325 1 20 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.521 -1.981 18167 19326 1 20 . 1 1 160 160 PHE H H 178 9.067 9.067 6.729 2.338 18167 19327 1 20 . 1 1 161 161 ASP N N 179 120.599 120.599 119.401 1.198 18167 19328 1 20 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.467 -0.127 18167 19329 1 20 . 1 1 161 161 ASP C C 179 179.216 179.216 178.776 0.440 18167 19330 1 20 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.279 0.623 18167 19331 1 20 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.482 0.475 18167 19332 1 20 . 1 1 161 161 ASP H H 179 8.578 8.578 7.697 0.881 18167 19333 1 20 . 1 1 162 162 THR N N 180 118.300 118.300 116.916 1.384 18167 19334 1 20 . 1 1 162 162 THR HA H 180 3.849 3.849 4.094 -0.245 18167 19335 1 20 . 1 1 162 162 THR C C 180 176.875 176.875 177.107 -0.232 18167 19336 1 20 . 1 1 162 162 THR CA C 180 66.977 66.977 66.699 0.278 18167 19337 1 20 . 1 1 162 162 THR CB C 180 68.886 68.886 68.851 0.035 18167 19338 1 20 . 1 1 162 162 THR H H 180 7.771 7.771 8.514 -0.743 18167 19339 1 20 . 1 1 163 163 VAL N N 181 123.234 123.234 120.893 2.341 18167 19340 1 20 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.823 -0.229 18167 19341 1 20 . 1 1 163 163 VAL C C 181 180.016 180.016 177.780 2.236 18167 19342 1 20 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.098 0.658 18167 19343 1 20 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.176 0.536 18167 19344 1 20 . 1 1 163 163 VAL H H 181 8.831 8.831 8.496 0.335 18167 19345 1 20 . 1 1 164 164 ALA N N 182 124.654 124.654 122.245 2.409 18167 19346 1 20 . 1 1 164 164 ALA HA H 182 4.262 4.262 4.301 -0.039 18167 19347 1 20 . 1 1 164 164 ALA C C 182 180.510 180.510 179.861 0.649 18167 19348 1 20 . 1 1 164 164 ALA CA C 182 56.459 56.459 55.312 1.147 18167 19349 1 20 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.501 -0.938 18167 19350 1 20 . 1 1 164 164 ALA H H 182 9.662 9.662 8.816 0.846 18167 19351 1 20 . 1 1 165 165 SER N N 183 112.325 112.325 112.147 0.178 18167 19352 1 20 . 1 1 165 165 SER HA H 183 4.173 4.173 4.456 -0.283 18167 19353 1 20 . 1 1 165 165 SER C C 183 173.817 173.817 175.622 -1.805 18167 19354 1 20 . 1 1 165 165 SER CA C 183 61.155 61.155 60.456 0.699 18167 19355 1 20 . 1 1 165 165 SER CB C 183 63.140 63.140 63.133 0.007 18167 19356 1 20 . 1 1 165 165 SER H H 183 7.988 7.988 7.985 0.003 18167 19357 1 20 . 1 1 166 166 SER N N 184 117.332 117.332 116.068 1.264 18167 19358 1 20 . 1 1 166 166 SER HA H 184 4.356 4.356 4.370 -0.014 18167 19359 1 20 . 1 1 166 166 SER C C 184 174.163 174.163 175.619 -1.456 18167 19360 1 20 . 1 1 166 166 SER CA C 184 59.502 59.502 59.915 -0.413 18167 19361 1 20 . 1 1 166 166 SER CB C 184 63.416 63.416 63.579 -0.163 18167 19362 1 20 . 1 1 166 166 SER H H 184 7.766 7.766 7.781 -0.015 18167 19363 1 20 . 1 1 167 167 PHE N N 185 124.827 124.827 122.379 2.448 18167 19364 1 20 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.632 0.531 18167 19365 1 20 . 1 1 167 167 PHE C C 185 174.545 174.545 174.565 -0.020 18167 19366 1 20 . 1 1 167 167 PHE CA C 185 57.502 57.502 57.805 -0.303 18167 19367 1 20 . 1 1 167 167 PHE CB C 185 38.390 38.390 38.625 -0.235 18167 19368 1 20 . 1 1 167 167 PHE H H 185 7.101 7.101 7.488 -0.387 18167 19369 1 20 . 1 1 168 168 HIS N N 186 127.050 127.050 122.118 4.932 18167 19370 1 20 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.415 0.738 18167 19371 1 20 . 1 1 168 168 HIS C C 186 172.836 172.836 173.277 -0.441 18167 19372 1 20 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.758 -0.602 18167 19373 1 20 . 1 1 168 168 HIS CB C 186 32.003 32.003 33.950 -1.947 18167 19374 1 20 . 1 1 168 168 HIS H H 186 8.645 8.645 8.904 -0.259 18167 19375 1 20 . 1 1 169 169 VAL N N 187 114.268 114.268 118.462 -4.194 18167 19376 1 20 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.204 -0.044 18167 19377 1 20 . 1 1 169 169 VAL C C 187 174.449 174.449 174.314 0.135 18167 19378 1 20 . 1 1 169 169 VAL CA C 187 58.353 58.353 58.641 -0.288 18167 19379 1 20 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.597 -1.188 18167 19380 1 20 . 1 1 169 169 VAL H H 187 7.466 7.466 7.481 -0.015 18167 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 164 2.585 0.018 2.593 18167 2 1 1 "Average Difference" HA 183 0.331 -0.086 0.320 18167 3 1 1 "Average Difference" C 168 0.847 0.004 0.850 18167 4 1 1 "Average Difference" CA 168 0.888 0.008 0.891 18167 5 1 1 "Average Difference" CB 152 1.143 0.083 1.143 18167 6 1 1 "Average Difference" HN 164 0.517 -0.153 0.496 18167 7 1 2 "Average Difference" N 164 2.668 -0.022 2.676 18167 8 1 2 "Average Difference" HA 183 0.339 -0.081 0.330 18167 9 1 2 "Average Difference" C 168 0.874 0.061 0.875 18167 10 1 2 "Average Difference" CA 168 0.879 0.034 0.881 18167 11 1 2 "Average Difference" CB 152 1.174 0.061 1.176 18167 12 1 2 "Average Difference" HN 164 0.510 -0.164 0.484 18167 13 1 3 "Average Difference" N 164 2.778 -0.031 2.786 18167 14 1 3 "Average Difference" HA 183 0.351 -0.085 0.341 18167 15 1 3 "Average Difference" C 168 0.824 0.018 0.827 18167 16 1 3 "Average Difference" CA 168 0.862 0.013 0.864 18167 17 1 3 "Average Difference" CB 152 1.143 0.149 1.137 18167 18 1 3 "Average Difference" HN 164 0.529 -0.173 0.501 18167 19 1 4 "Average Difference" N 164 2.576 -0.187 2.577 18167 20 1 4 "Average Difference" HA 183 0.335 -0.084 0.325 18167 21 1 4 "Average Difference" C 168 0.897 0.048 0.898 18167 22 1 4 "Average Difference" CA 168 0.896 0.032 0.898 18167 23 1 4 "Average Difference" CB 152 1.130 0.104 1.129 18167 24 1 4 "Average Difference" HN 164 0.528 -0.189 0.494 18167 25 1 5 "Average Difference" N 164 2.615 -0.099 2.621 18167 26 1 5 "Average Difference" HA 183 0.343 -0.071 0.336 18167 27 1 5 "Average Difference" C 168 0.843 0.093 0.840 18167 28 1 5 "Average Difference" CA 168 0.920 0.022 0.923 18167 29 1 5 "Average Difference" CB 152 1.123 0.116 1.121 18167 30 1 5 "Average Difference" HN 164 0.473 -0.133 0.455 18167 31 1 6 "Average Difference" N 164 2.635 -0.076 2.642 18167 32 1 6 "Average Difference" HA 183 0.326 -0.073 0.319 18167 33 1 6 "Average Difference" C 168 0.861 0.101 0.858 18167 34 1 6 "Average Difference" CA 168 0.869 0.022 0.871 18167 35 1 6 "Average Difference" CB 152 1.143 0.038 1.146 18167 36 1 6 "Average Difference" HN 164 0.509 -0.138 0.491 18167 37 1 7 "Average Difference" N 164 2.648 0.041 2.656 18167 38 1 7 "Average Difference" HA 183 0.334 -0.084 0.325 18167 39 1 7 "Average Difference" C 168 0.851 0.051 0.852 18167 40 1 7 "Average Difference" CA 168 0.851 0.044 0.853 18167 41 1 7 "Average Difference" CB 152 1.144 0.058 1.146 18167 42 1 7 "Average Difference" HN 164 0.523 -0.179 0.493 18167 43 1 8 "Average Difference" N 164 2.691 -0.075 2.698 18167 44 1 8 "Average Difference" HA 183 0.342 -0.060 0.337 18167 45 1 8 "Average Difference" C 168 0.857 0.014 0.860 18167 46 1 8 "Average Difference" CA 168 0.878 0.012 0.880 18167 47 1 8 "Average Difference" CB 152 1.222 0.072 1.224 18167 48 1 8 "Average Difference" HN 164 0.507 -0.164 0.481 18167 49 1 9 "Average Difference" N 164 2.618 -0.238 2.615 18167 50 1 9 "Average Difference" HA 183 0.334 -0.082 0.325 18167 51 1 9 "Average Difference" C 168 0.859 0.083 0.858 18167 52 1 9 "Average Difference" CA 168 0.916 0.063 0.916 18167 53 1 9 "Average Difference" CB 152 1.143 0.073 1.145 18167 54 1 9 "Average Difference" HN 164 0.507 -0.158 0.483 18167 55 1 10 "Average Difference" N 164 2.638 -0.110 2.644 18167 56 1 10 "Average Difference" HA 183 0.321 -0.071 0.314 18167 57 1 10 "Average Difference" C 168 0.863 0.098 0.860 18167 58 1 10 "Average Difference" CA 168 0.876 -0.011 0.879 18167 59 1 10 "Average Difference" CB 152 1.145 0.026 1.149 18167 60 1 10 "Average Difference" HN 164 0.486 -0.132 0.469 18167 61 1 11 "Average Difference" N 164 2.701 0.015 2.710 18167 62 1 11 "Average Difference" HA 183 0.331 -0.083 0.321 18167 63 1 11 "Average Difference" C 168 0.847 0.048 0.848 18167 64 1 11 "Average Difference" CA 168 0.871 -0.040 0.873 18167 65 1 11 "Average Difference" CB 152 1.163 0.045 1.166 18167 66 1 11 "Average Difference" HN 164 0.532 -0.158 0.510 18167 67 1 12 "Average Difference" N 164 2.454 -0.289 2.445 18167 68 1 12 "Average Difference" HA 183 0.329 -0.067 0.323 18167 69 1 12 "Average Difference" C 168 0.827 0.069 0.827 18167 70 1 12 "Average Difference" CA 168 0.862 0.032 0.864 18167 71 1 12 "Average Difference" CB 152 1.106 0.109 1.104 18167 72 1 12 "Average Difference" HN 164 0.511 -0.141 0.493 18167 73 1 13 "Average Difference" N 164 2.765 0.230 2.764 18167 74 1 13 "Average Difference" HA 183 0.356 -0.106 0.341 18167 75 1 13 "Average Difference" C 168 0.872 0.071 0.872 18167 76 1 13 "Average Difference" CA 168 0.890 0.034 0.892 18167 77 1 13 "Average Difference" CB 152 1.171 0.028 1.174 18167 78 1 13 "Average Difference" HN 164 0.513 -0.162 0.488 18167 79 1 14 "Average Difference" N 164 2.890 -0.109 2.896 18167 80 1 14 "Average Difference" HA 183 0.342 -0.093 0.330 18167 81 1 14 "Average Difference" C 168 0.866 0.087 0.864 18167 82 1 14 "Average Difference" CA 168 0.983 0.038 0.985 18167 83 1 14 "Average Difference" CB 152 1.175 0.015 1.178 18167 84 1 14 "Average Difference" HN 164 0.528 -0.155 0.506 18167 85 1 15 "Average Difference" N 164 2.718 -0.039 2.726 18167 86 1 15 "Average Difference" HA 183 0.334 -0.077 0.326 18167 87 1 15 "Average Difference" C 168 0.828 0.084 0.827 18167 88 1 15 "Average Difference" CA 168 0.893 0.030 0.896 18167 89 1 15 "Average Difference" CB 152 1.113 -0.011 1.117 18167 90 1 15 "Average Difference" HN 164 0.516 -0.146 0.497 18167 91 1 16 "Average Difference" N 164 2.802 -0.205 2.803 18167 92 1 16 "Average Difference" HA 183 0.340 -0.077 0.332 18167 93 1 16 "Average Difference" C 168 0.858 -0.003 0.861 18167 94 1 16 "Average Difference" CA 168 0.878 0.011 0.880 18167 95 1 16 "Average Difference" CB 152 1.135 0.108 1.133 18167 96 1 16 "Average Difference" HN 164 0.506 -0.166 0.480 18167 97 1 17 "Average Difference" N 164 2.623 -0.175 2.625 18167 98 1 17 "Average Difference" HA 183 0.324 -0.069 0.317 18167 99 1 17 "Average Difference" C 168 0.857 0.041 0.859 18167 100 1 17 "Average Difference" CA 168 0.954 0.002 0.957 18167 101 1 17 "Average Difference" CB 152 1.075 0.077 1.075 18167 102 1 17 "Average Difference" HN 164 0.501 -0.153 0.479 18167 103 1 18 "Average Difference" N 164 2.609 -0.028 2.617 18167 104 1 18 "Average Difference" HA 183 0.328 -0.074 0.321 18167 105 1 18 "Average Difference" C 168 0.840 0.032 0.842 18167 106 1 18 "Average Difference" CA 168 0.920 0.022 0.923 18167 107 1 18 "Average Difference" CB 152 1.179 0.108 1.177 18167 108 1 18 "Average Difference" HN 164 0.520 -0.162 0.495 18167 109 1 19 "Average Difference" N 164 2.735 -0.143 2.739 18167 110 1 19 "Average Difference" HA 183 0.335 -0.074 0.327 18167 111 1 19 "Average Difference" C 168 0.852 0.027 0.854 18167 112 1 19 "Average Difference" CA 168 0.887 0.012 0.890 18167 113 1 19 "Average Difference" CB 152 1.141 0.075 1.142 18167 114 1 19 "Average Difference" HN 164 0.471 -0.141 0.451 18167 115 1 20 "Average Difference" N 164 2.599 -0.027 2.607 18167 116 1 20 "Average Difference" HA 183 0.347 -0.082 0.338 18167 117 1 20 "Average Difference" C 168 0.849 0.025 0.851 18167 118 1 20 "Average Difference" CA 168 0.868 0.041 0.870 18167 119 1 20 "Average Difference" CB 152 1.131 0.085 1.132 18167 120 1 20 "Average Difference" HN 164 0.479 -0.158 0.453 18167 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18167 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 20 4.472 4.472 4.488 -0.016 18167 2 1 . 1 1 2 2 PRO C C 20 177.006 177.006 177.079 -0.073 18167 3 1 . 1 1 2 2 PRO CA C 20 63.040 63.040 63.023 0.017 18167 4 1 . 1 1 2 2 PRO CB C 20 32.064 32.064 32.322 -0.258 18167 5 1 . 1 1 3 3 LEU N N 21 122.423 122.423 120.663 1.760 18167 6 1 . 1 1 3 3 LEU HA H 21 4.341 4.341 4.342 -0.001 18167 7 1 . 1 1 3 3 LEU C C 21 177.928 177.928 177.756 0.172 18167 8 1 . 1 1 3 3 LEU CA C 21 55.318 55.318 55.270 0.048 18167 9 1 . 1 1 3 3 LEU CB C 21 42.266 42.266 41.943 0.323 18167 10 1 . 1 1 3 3 LEU H H 21 8.551 8.551 7.992 0.559 18167 11 1 . 1 1 4 4 GLY N N 22 109.759 109.759 108.869 0.890 18167 12 1 . 1 1 4 4 GLY C C 22 174.309 174.309 173.910 0.399 18167 13 1 . 1 1 4 4 GLY CA C 22 45.230 45.230 44.870 0.359 18167 14 1 . 1 1 4 4 GLY H H 22 8.423 8.423 8.222 0.201 18167 15 1 . 1 1 5 5 SER N N 23 115.538 115.538 115.241 0.297 18167 16 1 . 1 1 5 5 SER HA H 23 4.488 4.488 4.573 -0.085 18167 17 1 . 1 1 5 5 SER C C 23 174.841 174.841 174.377 0.463 18167 18 1 . 1 1 5 5 SER CA C 23 58.329 58.329 58.115 0.214 18167 19 1 . 1 1 5 5 SER CB C 23 63.957 63.957 64.474 -0.517 18167 20 1 . 1 1 5 5 SER H H 23 8.233 8.233 8.219 0.014 18167 21 1 . 1 1 6 6 CYS N N 24 120.699 120.699 121.789 -1.090 18167 22 1 . 1 1 6 6 CYS HA H 24 4.542 4.542 4.589 -0.046 18167 23 1 . 1 1 6 6 CYS C C 24 175.079 175.079 175.549 -0.470 18167 24 1 . 1 1 6 6 CYS CA C 24 58.717 58.717 58.904 -0.187 18167 25 1 . 1 1 6 6 CYS CB C 24 27.969 27.969 28.079 -0.110 18167 26 1 . 1 1 6 6 CYS H H 24 8.493 8.493 8.441 0.052 18167 27 1 . 1 1 7 7 GLY N N 25 110.895 110.895 111.797 -0.902 18167 28 1 . 1 1 7 7 GLY C C 25 174.402 174.402 174.337 0.065 18167 29 1 . 1 1 7 7 GLY CA C 25 45.478 45.478 45.089 0.389 18167 30 1 . 1 1 7 7 GLY H H 25 8.449 8.449 8.303 0.146 18167 31 1 . 1 1 8 8 GLY N N 26 108.733 108.733 108.046 0.687 18167 32 1 . 1 1 8 8 GLY C C 26 174.113 174.113 174.213 -0.100 18167 33 1 . 1 1 8 8 GLY CA C 26 45.180 45.180 44.836 0.344 18167 34 1 . 1 1 8 8 GLY H H 26 8.236 8.236 8.244 -0.008 18167 35 1 . 1 1 9 9 VAL N N 27 118.903 118.903 119.285 -0.382 18167 36 1 . 1 1 9 9 VAL HA H 27 4.124 4.124 4.250 -0.126 18167 37 1 . 1 1 9 9 VAL C C 27 176.630 176.630 175.990 0.640 18167 38 1 . 1 1 9 9 VAL CA C 27 62.385 62.385 61.944 0.441 18167 39 1 . 1 1 9 9 VAL CB C 27 32.521 32.521 33.085 -0.564 18167 40 1 . 1 1 9 9 VAL H H 27 8.019 8.019 7.939 0.080 18167 41 1 . 1 1 10 10 GLY N N 28 112.317 112.317 112.695 -0.378 18167 42 1 . 1 1 10 10 GLY C C 28 174.378 174.378 174.516 -0.138 18167 43 1 . 1 1 10 10 GLY CA C 28 45.346 45.346 44.681 0.665 18167 44 1 . 1 1 10 10 GLY H H 28 8.483 8.483 8.293 0.190 18167 45 1 . 1 1 11 11 ILE N N 29 119.788 119.788 119.893 -0.105 18167 46 1 . 1 1 11 11 ILE HA H 29 4.081 4.081 4.219 -0.138 18167 47 1 . 1 1 11 11 ILE C C 29 176.168 176.168 175.665 0.503 18167 48 1 . 1 1 11 11 ILE CA C 29 61.412 61.412 61.177 0.235 18167 49 1 . 1 1 11 11 ILE CB C 29 38.557 38.557 37.899 0.658 18167 50 1 . 1 1 11 11 ILE H H 29 7.948 7.948 8.156 -0.208 18167 51 1 . 1 1 12 12 ALA N N 30 126.009 126.009 125.364 0.645 18167 52 1 . 1 1 12 12 ALA HA H 30 4.288 4.288 4.450 -0.162 18167 53 1 . 1 1 12 12 ALA C C 30 177.504 177.504 176.265 1.239 18167 54 1 . 1 1 12 12 ALA CA C 30 52.865 52.865 52.005 0.860 18167 55 1 . 1 1 12 12 ALA CB C 30 18.966 18.966 19.864 -0.898 18167 56 1 . 1 1 12 12 ALA H H 30 8.247 8.247 7.954 0.293 18167 57 1 . 1 1 13 13 SER N N 31 113.949 113.949 115.257 -1.308 18167 58 1 . 1 1 13 13 SER HA H 31 4.392 4.392 4.489 -0.098 18167 59 1 . 1 1 13 13 SER C C 31 173.644 173.644 172.994 0.650 18167 60 1 . 1 1 13 13 SER CA C 31 58.329 58.329 58.230 0.099 18167 61 1 . 1 1 13 13 SER CB C 31 63.609 63.609 64.043 -0.434 18167 62 1 . 1 1 13 13 SER H H 31 8.045 8.045 8.316 -0.271 18167 63 1 . 1 1 14 14 LEU N N 32 122.240 122.240 122.551 -0.311 18167 64 1 . 1 1 14 14 LEU HA H 32 4.545 4.545 4.290 0.255 18167 65 1 . 1 1 14 14 LEU C C 32 176.001 176.001 176.069 -0.068 18167 66 1 . 1 1 14 14 LEU CA C 32 53.877 53.877 54.026 -0.149 18167 67 1 . 1 1 14 14 LEU CB C 32 44.245 44.245 43.592 0.653 18167 68 1 . 1 1 14 14 LEU H H 32 7.749 7.749 8.120 -0.371 18167 69 1 . 1 1 15 15 GLN N N 33 120.685 120.685 120.755 -0.070 18167 70 1 . 1 1 15 15 GLN HA H 33 4.382 4.382 4.567 -0.185 18167 71 1 . 1 1 15 15 GLN C C 33 172.944 172.944 173.681 -0.737 18167 72 1 . 1 1 15 15 GLN CA C 33 53.461 53.461 53.868 -0.407 18167 73 1 . 1 1 15 15 GLN CB C 33 30.743 30.743 31.851 -1.108 18167 74 1 . 1 1 15 15 GLN H H 33 8.780 8.780 8.093 0.687 18167 75 1 . 1 1 16 16 ARG N N 34 120.341 120.341 120.148 0.193 18167 76 1 . 1 1 16 16 ARG HA H 34 4.904 4.904 4.716 0.188 18167 77 1 . 1 1 16 16 ARG C C 34 175.846 175.846 174.778 1.068 18167 78 1 . 1 1 16 16 ARG CA C 34 55.701 55.701 54.975 0.726 18167 79 1 . 1 1 16 16 ARG CB C 34 32.742 32.742 32.741 0.001 18167 80 1 . 1 1 16 16 ARG H H 34 8.274 8.274 8.399 -0.125 18167 81 1 . 1 1 17 17 TYR N N 35 128.733 128.733 125.319 3.414 18167 82 1 . 1 1 17 17 TYR HA H 35 4.558 4.558 4.734 -0.176 18167 83 1 . 1 1 17 17 TYR C C 35 173.307 173.307 173.212 0.095 18167 84 1 . 1 1 17 17 TYR CA C 35 57.733 57.733 57.586 0.147 18167 85 1 . 1 1 17 17 TYR CB C 35 41.583 41.583 41.593 -0.010 18167 86 1 . 1 1 17 17 TYR H H 35 9.104 9.104 8.354 0.750 18167 87 1 . 1 1 18 18 SER N N 36 119.150 119.150 120.182 -1.032 18167 88 1 . 1 1 18 18 SER HA H 36 4.786 4.786 4.937 -0.151 18167 89 1 . 1 1 18 18 SER C C 36 172.002 172.002 172.477 -0.475 18167 90 1 . 1 1 18 18 SER CA C 36 56.341 56.341 56.632 -0.291 18167 91 1 . 1 1 18 18 SER CB C 36 65.327 65.327 66.368 -1.041 18167 92 1 . 1 1 18 18 SER H H 36 7.398 7.398 7.847 -0.449 18167 93 1 . 1 1 19 19 ASP N N 37 124.935 124.935 122.486 2.449 18167 94 1 . 1 1 19 19 ASP HA H 37 4.671 4.671 4.987 -0.316 18167 95 1 . 1 1 19 19 ASP C C 37 176.089 176.089 176.681 -0.592 18167 96 1 . 1 1 19 19 ASP CA C 37 52.809 52.809 53.532 -0.723 18167 97 1 . 1 1 19 19 ASP CB C 37 42.465 42.465 43.863 -1.398 18167 98 1 . 1 1 19 19 ASP H H 37 8.607 8.607 8.430 0.177 18167 99 1 . 1 1 20 20 THR N N 38 117.032 117.032 116.919 0.113 18167 100 1 . 1 1 20 20 THR HA H 38 4.316 4.316 3.988 0.328 18167 101 1 . 1 1 20 20 THR C C 38 175.794 175.794 175.720 0.074 18167 102 1 . 1 1 20 20 THR CA C 38 63.123 63.123 64.693 -1.570 18167 103 1 . 1 1 20 20 THR CB C 38 68.905 68.905 69.122 -0.217 18167 104 1 . 1 1 20 20 THR H H 38 8.470 8.470 8.546 -0.076 18167 105 1 . 1 1 21 21 LYS N N 39 124.893 124.893 120.866 4.027 18167 106 1 . 1 1 21 21 LYS HA H 39 4.189 4.189 4.043 0.146 18167 107 1 . 1 1 21 21 LYS C C 39 177.678 177.678 177.542 0.136 18167 108 1 . 1 1 21 21 LYS CA C 39 58.795 58.795 59.149 -0.354 18167 109 1 . 1 1 21 21 LYS CB C 39 31.668 31.668 32.300 -0.632 18167 110 1 . 1 1 21 21 LYS H H 39 8.201 8.201 7.927 0.274 18167 111 1 . 1 1 22 22 ASP N N 40 118.183 118.183 115.692 2.491 18167 112 1 . 1 1 22 22 ASP HA H 40 4.821 4.821 4.562 0.259 18167 113 1 . 1 1 22 22 ASP C C 40 176.752 176.752 177.109 -0.357 18167 114 1 . 1 1 22 22 ASP CA C 40 54.879 54.879 54.143 0.736 18167 115 1 . 1 1 22 22 ASP CB C 40 41.869 41.869 40.968 0.901 18167 116 1 . 1 1 22 22 ASP H H 40 8.480 8.480 8.254 0.226 18167 117 1 . 1 1 23 23 GLY N N 41 108.978 108.978 108.137 0.841 18167 118 1 . 1 1 23 23 GLY C C 41 172.396 172.396 173.221 -0.825 18167 119 1 . 1 1 23 23 GLY CA C 41 47.116 47.116 45.576 1.540 18167 120 1 . 1 1 23 23 GLY H H 41 7.421 7.421 8.289 -0.868 18167 121 1 . 1 1 24 24 TYR N N 42 112.046 112.046 116.176 -4.130 18167 122 1 . 1 1 24 24 TYR HA H 42 5.394 5.394 5.868 -0.474 18167 123 1 . 1 1 24 24 TYR C C 42 173.028 173.028 173.012 0.016 18167 124 1 . 1 1 24 24 TYR CA C 42 55.832 55.832 54.431 1.401 18167 125 1 . 1 1 24 24 TYR CB C 42 41.854 41.854 41.575 0.279 18167 126 1 . 1 1 24 24 TYR H H 42 7.506 7.506 7.815 -0.309 18167 127 1 . 1 1 25 25 GLU N N 43 117.470 117.470 120.302 -2.832 18167 128 1 . 1 1 25 25 GLU HA H 43 5.468 5.468 5.123 0.345 18167 129 1 . 1 1 25 25 GLU C C 43 173.311 173.311 174.399 -1.088 18167 130 1 . 1 1 25 25 GLU CA C 43 54.231 54.231 55.064 -0.833 18167 131 1 . 1 1 25 25 GLU CB C 43 33.625 33.625 33.948 -0.323 18167 132 1 . 1 1 25 25 GLU H H 43 8.934 8.934 8.873 0.060 18167 133 1 . 1 1 26 26 PHE N N 44 112.795 112.795 117.187 -4.391 18167 134 1 . 1 1 26 26 PHE HA H 44 4.842 4.842 5.149 -0.307 18167 135 1 . 1 1 26 26 PHE C C 44 172.776 172.776 173.084 -0.308 18167 136 1 . 1 1 26 26 PHE CA C 44 56.616 56.616 56.924 -0.308 18167 137 1 . 1 1 26 26 PHE CB C 44 40.449 40.449 41.835 -1.386 18167 138 1 . 1 1 26 26 PHE H H 44 8.532 8.532 8.425 0.107 18167 139 1 . 1 1 27 27 LEU N N 45 119.784 119.784 122.523 -2.739 18167 140 1 . 1 1 27 27 LEU HA H 45 5.520 5.520 4.973 0.548 18167 141 1 . 1 1 27 27 LEU C C 45 174.965 174.965 176.251 -1.286 18167 142 1 . 1 1 27 27 LEU CA C 45 52.774 52.774 54.034 -1.260 18167 143 1 . 1 1 27 27 LEU CB C 45 44.650 44.650 43.340 1.310 18167 144 1 . 1 1 27 27 LEU H H 45 9.241 9.241 8.715 0.526 18167 145 1 . 1 1 28 28 TYR N N 46 113.008 113.008 119.428 -6.420 18167 146 1 . 1 1 28 28 TYR HA H 46 4.913 4.913 4.759 0.154 18167 147 1 . 1 1 28 28 TYR C C 46 171.354 171.354 172.108 -0.754 18167 148 1 . 1 1 28 28 TYR CA C 46 54.757 54.757 54.419 0.338 18167 149 1 . 1 1 28 28 TYR CB C 46 38.147 38.147 38.633 -0.486 18167 150 1 . 1 1 28 28 TYR H H 46 8.951 8.951 8.416 0.535 18167 151 1 . 1 1 29 29 PRO HA H 47 4.007 4.007 4.073 -0.066 18167 152 1 . 1 1 29 29 PRO C C 47 176.165 176.165 176.143 0.022 18167 153 1 . 1 1 29 29 PRO CA C 47 63.318 63.318 62.287 1.031 18167 154 1 . 1 1 29 29 PRO CB C 47 31.340 31.340 32.397 -1.057 18167 155 1 . 1 1 30 30 ASN N N 48 119.923 119.923 119.349 0.574 18167 156 1 . 1 1 30 30 ASN HA H 48 4.263 4.263 4.350 -0.087 18167 157 1 . 1 1 30 30 ASN C C 48 176.347 176.347 176.387 -0.041 18167 158 1 . 1 1 30 30 ASN CA C 48 55.201 55.201 53.501 1.700 18167 159 1 . 1 1 30 30 ASN CB C 48 38.588 38.588 38.369 0.219 18167 160 1 . 1 1 30 30 ASN H H 48 8.163 8.163 7.955 0.208 18167 161 1 . 1 1 31 31 GLY N N 49 111.442 111.442 107.322 4.120 18167 162 1 . 1 1 31 31 GLY C C 49 174.985 174.985 174.525 0.460 18167 163 1 . 1 1 31 31 GLY CA C 49 45.392 45.392 45.230 0.162 18167 164 1 . 1 1 31 31 GLY H H 49 8.702 8.702 8.696 0.006 18167 165 1 . 1 1 32 32 TRP N N 50 122.100 122.100 120.747 1.353 18167 166 1 . 1 1 32 32 TRP HA H 50 5.342 5.342 5.228 0.114 18167 167 1 . 1 1 32 32 TRP C C 50 176.370 176.370 177.440 -1.070 18167 168 1 . 1 1 32 32 TRP CA C 50 57.293 57.293 56.402 0.891 18167 169 1 . 1 1 32 32 TRP CB C 50 30.104 30.104 30.119 -0.015 18167 170 1 . 1 1 32 32 TRP H H 50 8.008 8.008 7.690 0.318 18167 171 1 . 1 1 33 33 ILE N N 51 117.163 117.163 119.533 -2.370 18167 172 1 . 1 1 33 33 ILE HA H 51 4.955 4.955 4.829 0.126 18167 173 1 . 1 1 33 33 ILE C C 51 175.549 175.549 174.934 0.615 18167 174 1 . 1 1 33 33 ILE CA C 51 59.228 59.228 59.837 -0.609 18167 175 1 . 1 1 33 33 ILE CB C 51 42.089 42.089 40.846 1.243 18167 176 1 . 1 1 33 33 ILE H H 51 9.249 9.249 8.625 0.624 18167 177 1 . 1 1 34 34 GLY N N 52 111.812 111.812 111.345 0.467 18167 178 1 . 1 1 34 34 GLY C C 52 173.956 173.956 173.852 0.104 18167 179 1 . 1 1 34 34 GLY CA C 52 45.404 45.404 43.941 1.464 18167 180 1 . 1 1 34 34 GLY H H 52 8.787 8.787 8.369 0.418 18167 181 1 . 1 1 35 35 VAL N N 53 122.174 122.174 123.588 -1.414 18167 182 1 . 1 1 35 35 VAL HA H 53 4.144 4.144 4.256 -0.112 18167 183 1 . 1 1 35 35 VAL C C 53 174.921 174.921 175.160 -0.239 18167 184 1 . 1 1 35 35 VAL CA C 53 60.657 60.657 60.729 -0.072 18167 185 1 . 1 1 35 35 VAL CB C 53 34.040 34.040 34.174 -0.134 18167 186 1 . 1 1 35 35 VAL H H 53 7.763 7.763 8.470 -0.707 18167 187 1 . 1 1 36 36 ASP N N 54 125.424 125.424 126.009 -0.585 18167 188 1 . 1 1 36 36 ASP HA H 54 4.589 4.589 4.644 -0.055 18167 189 1 . 1 1 36 36 ASP C C 54 176.890 176.890 176.007 0.883 18167 190 1 . 1 1 36 36 ASP CA C 54 54.450 54.450 54.382 0.067 18167 191 1 . 1 1 36 36 ASP CB C 54 41.173 41.173 41.337 -0.163 18167 192 1 . 1 1 36 36 ASP H H 54 8.425 8.425 8.546 -0.121 18167 193 1 . 1 1 37 37 VAL N N 55 120.335 120.335 118.107 2.228 18167 194 1 . 1 1 37 37 VAL HA H 55 4.168 4.168 4.377 -0.209 18167 195 1 . 1 1 37 37 VAL C C 55 176.785 176.785 175.269 1.516 18167 196 1 . 1 1 37 37 VAL CA C 55 61.919 61.919 61.227 0.692 18167 197 1 . 1 1 37 37 VAL CB C 55 31.790 31.790 32.318 -0.528 18167 198 1 . 1 1 37 37 VAL H H 55 8.215 8.215 8.294 -0.079 18167 199 1 . 1 1 38 38 LYS N N 56 124.881 124.881 122.605 2.276 18167 200 1 . 1 1 38 38 LYS HA H 56 4.202 4.202 4.272 -0.070 18167 201 1 . 1 1 38 38 LYS C C 56 177.828 177.828 177.804 0.024 18167 202 1 . 1 1 38 38 LYS CA C 56 58.003 58.003 57.413 0.590 18167 203 1 . 1 1 38 38 LYS CB C 56 31.637 31.637 32.204 -0.567 18167 204 1 . 1 1 38 38 LYS H H 56 8.331 8.331 8.048 0.283 18167 205 1 . 1 1 39 39 GLY N N 57 111.152 111.152 112.020 -0.868 18167 206 1 . 1 1 39 39 GLY C C 57 174.253 174.253 174.085 0.168 18167 207 1 . 1 1 39 39 GLY CA C 57 45.360 45.360 44.759 0.601 18167 208 1 . 1 1 39 39 GLY H H 57 8.651 8.651 8.941 -0.290 18167 209 1 . 1 1 40 40 ALA N N 58 123.085 123.085 122.643 0.442 18167 210 1 . 1 1 40 40 ALA HA H 58 4.383 4.383 4.432 -0.049 18167 211 1 . 1 1 40 40 ALA C C 58 177.125 177.125 176.939 0.186 18167 212 1 . 1 1 40 40 ALA CA C 58 52.354 52.354 51.321 1.033 18167 213 1 . 1 1 40 40 ALA CB C 58 19.617 19.617 19.692 -0.075 18167 214 1 . 1 1 40 40 ALA H H 58 7.839 7.839 7.593 0.247 18167 215 1 . 1 1 41 41 SER N N 59 115.088 115.088 115.723 -0.635 18167 216 1 . 1 1 41 41 SER HA H 59 4.688 4.688 4.381 0.307 18167 217 1 . 1 1 41 41 SER C C 59 171.885 171.885 173.189 -1.304 18167 218 1 . 1 1 41 41 SER CA C 59 56.951 56.951 57.872 -0.921 18167 219 1 . 1 1 41 41 SER CB C 59 63.123 63.123 62.677 0.447 18167 220 1 . 1 1 41 41 SER H H 59 8.186 8.186 8.276 -0.090 18167 221 1 . 1 1 42 42 PRO HA H 60 4.349 4.349 4.287 0.062 18167 222 1 . 1 1 42 42 PRO C C 60 177.660 177.660 177.548 0.112 18167 223 1 . 1 1 42 42 PRO CA C 60 64.225 64.225 64.062 0.163 18167 224 1 . 1 1 42 42 PRO CB C 60 31.541 31.541 31.823 -0.282 18167 225 1 . 1 1 43 43 GLY N N 61 111.997 111.997 111.008 0.989 18167 226 1 . 1 1 43 43 GLY C C 61 174.070 174.070 174.117 -0.047 18167 227 1 . 1 1 43 43 GLY CA C 61 45.614 45.614 44.950 0.664 18167 228 1 . 1 1 43 43 GLY H H 61 8.730 8.730 8.536 0.194 18167 229 1 . 1 1 44 44 VAL N N 62 120.539 120.539 122.140 -1.601 18167 230 1 . 1 1 44 44 VAL HA H 62 4.277 4.277 3.787 0.490 18167 231 1 . 1 1 44 44 VAL C C 62 175.277 175.277 175.026 0.251 18167 232 1 . 1 1 44 44 VAL CA C 62 62.927 62.927 64.331 -1.404 18167 233 1 . 1 1 44 44 VAL CB C 62 31.555 31.555 31.270 0.284 18167 234 1 . 1 1 44 44 VAL H H 62 7.573 7.573 7.610 -0.037 18167 235 1 . 1 1 45 45 ASP N N 63 128.619 128.619 127.443 1.176 18167 236 1 . 1 1 45 45 ASP HA H 63 4.907 4.907 4.820 0.087 18167 237 1 . 1 1 45 45 ASP C C 63 176.177 176.177 175.410 0.767 18167 238 1 . 1 1 45 45 ASP CA C 63 55.855 55.855 55.120 0.735 18167 239 1 . 1 1 45 45 ASP CB C 63 44.275 44.275 43.553 0.722 18167 240 1 . 1 1 45 45 ASP H H 63 9.084 9.084 8.280 0.804 18167 241 1 . 1 1 46 46 VAL N N 64 115.687 115.687 116.917 -1.230 18167 242 1 . 1 1 46 46 VAL HA H 64 4.310 4.310 4.304 0.006 18167 243 1 . 1 1 46 46 VAL C C 64 172.853 172.853 173.727 -0.874 18167 244 1 . 1 1 46 46 VAL CA C 64 61.171 61.171 60.655 0.516 18167 245 1 . 1 1 46 46 VAL CB C 64 35.908 35.908 35.516 0.392 18167 246 1 . 1 1 46 46 VAL H H 64 7.314 7.314 7.421 -0.107 18167 247 1 . 1 1 47 47 VAL N N 65 124.933 124.933 122.417 2.516 18167 248 1 . 1 1 47 47 VAL HA H 65 5.056 5.056 4.404 0.652 18167 249 1 . 1 1 47 47 VAL C C 65 175.266 175.266 173.965 1.301 18167 250 1 . 1 1 47 47 VAL CA C 65 61.082 61.082 60.940 0.142 18167 251 1 . 1 1 47 47 VAL CB C 65 36.667 36.667 34.360 2.307 18167 252 1 . 1 1 47 47 VAL H H 65 8.146 8.146 7.885 0.261 18167 253 1 . 1 1 48 48 PHE N N 66 122.916 122.916 126.150 -3.234 18167 254 1 . 1 1 48 48 PHE HA H 66 5.491 5.491 5.311 0.180 18167 255 1 . 1 1 48 48 PHE C C 66 174.371 174.371 174.584 -0.213 18167 256 1 . 1 1 48 48 PHE CA C 66 56.529 56.529 56.414 0.115 18167 257 1 . 1 1 48 48 PHE CB C 66 44.159 44.159 42.284 1.875 18167 258 1 . 1 1 48 48 PHE H H 66 8.469 8.469 8.990 -0.521 18167 259 1 . 1 1 49 49 ARG N N 67 116.381 116.381 121.247 -4.867 18167 260 1 . 1 1 49 49 ARG HA H 67 4.505 4.505 4.537 -0.032 18167 261 1 . 1 1 49 49 ARG C C 67 173.455 173.455 173.934 -0.479 18167 262 1 . 1 1 49 49 ARG CA C 67 53.834 53.834 54.534 -0.700 18167 263 1 . 1 1 49 49 ARG CB C 67 34.898 34.898 34.284 0.614 18167 264 1 . 1 1 49 49 ARG H H 67 9.271 9.271 8.710 0.561 18167 265 1 . 1 1 50 50 ASP N N 68 121.066 121.066 124.367 -3.300 18167 266 1 . 1 1 50 50 ASP HA H 68 4.051 4.051 4.427 -0.376 18167 267 1 . 1 1 50 50 ASP C C 68 176.670 176.670 176.121 0.549 18167 268 1 . 1 1 50 50 ASP CA C 68 54.616 54.616 53.182 1.434 18167 269 1 . 1 1 50 50 ASP CB C 68 42.901 42.901 41.437 1.464 18167 270 1 . 1 1 50 50 ASP H H 68 7.165 7.165 8.113 -0.948 18167 271 1 . 1 1 51 51 LEU N N 69 124.078 124.078 125.344 -1.266 18167 272 1 . 1 1 51 51 LEU HA H 69 4.025 4.025 4.079 -0.054 18167 273 1 . 1 1 51 51 LEU C C 69 177.463 177.463 178.110 -0.647 18167 274 1 . 1 1 51 51 LEU CA C 69 57.408 57.408 57.416 -0.008 18167 275 1 . 1 1 51 51 LEU CB C 69 43.149 43.149 42.260 0.889 18167 276 1 . 1 1 51 51 LEU H H 69 8.314 8.314 8.195 0.119 18167 277 1 . 1 1 52 52 ILE N N 70 118.341 118.341 116.736 1.605 18167 278 1 . 1 1 52 52 ILE HA H 70 4.073 4.073 3.918 0.155 18167 279 1 . 1 1 52 52 ILE C C 70 177.093 177.093 176.422 0.671 18167 280 1 . 1 1 52 52 ILE CA C 70 61.858 61.858 63.420 -1.562 18167 281 1 . 1 1 52 52 ILE CB C 70 38.620 38.620 37.913 0.707 18167 282 1 . 1 1 52 52 ILE H H 70 8.178 8.178 7.895 0.283 18167 283 1 . 1 1 53 53 GLU N N 71 122.254 122.254 117.493 4.761 18167 284 1 . 1 1 53 53 GLU HA H 71 4.384 4.384 4.531 -0.147 18167 285 1 . 1 1 53 53 GLU C C 71 176.084 176.084 175.895 0.189 18167 286 1 . 1 1 53 53 GLU CA C 71 54.808 54.808 55.199 -0.391 18167 287 1 . 1 1 53 53 GLU CB C 71 28.758 28.758 30.280 -1.522 18167 288 1 . 1 1 53 53 GLU H H 71 8.974 8.974 8.211 0.763 18167 289 1 . 1 1 54 54 ARG N N 72 121.414 121.414 123.462 -2.048 18167 290 1 . 1 1 54 54 ARG HA H 72 3.982 3.982 4.108 -0.126 18167 291 1 . 1 1 54 54 ARG C C 72 176.478 176.478 176.726 -0.248 18167 292 1 . 1 1 54 54 ARG CA C 72 58.240 58.240 58.624 -0.384 18167 293 1 . 1 1 54 54 ARG CB C 72 29.964 29.964 30.332 -0.368 18167 294 1 . 1 1 54 54 ARG H H 72 8.052 8.052 8.541 -0.489 18167 295 1 . 1 1 55 55 ASP N N 73 117.425 117.425 118.108 -0.683 18167 296 1 . 1 1 55 55 ASP HA H 73 4.451 4.451 4.475 -0.024 18167 297 1 . 1 1 55 55 ASP C C 73 173.783 173.783 176.106 -2.323 18167 298 1 . 1 1 55 55 ASP CA C 73 55.074 55.074 55.916 -0.842 18167 299 1 . 1 1 55 55 ASP CB C 73 40.742 40.742 40.426 0.316 18167 300 1 . 1 1 55 55 ASP H H 73 8.455 8.455 8.421 0.034 18167 301 1 . 1 1 56 56 GLU N N 74 124.050 124.050 119.846 4.204 18167 302 1 . 1 1 56 56 GLU HA H 74 5.499 5.499 4.603 0.896 18167 303 1 . 1 1 56 56 GLU C C 74 174.110 174.110 175.139 -1.029 18167 304 1 . 1 1 56 56 GLU CA C 74 56.478 56.478 56.196 0.282 18167 305 1 . 1 1 56 56 GLU CB C 74 32.446 32.446 30.590 1.856 18167 306 1 . 1 1 56 56 GLU H H 74 7.773 7.773 7.823 -0.050 18167 307 1 . 1 1 57 57 ASN N N 75 119.794 119.794 122.557 -2.763 18167 308 1 . 1 1 57 57 ASN HA H 75 4.763 4.763 4.888 -0.125 18167 309 1 . 1 1 57 57 ASN C C 75 171.893 171.893 173.045 -1.152 18167 310 1 . 1 1 57 57 ASN CA C 75 52.963 52.963 52.724 0.239 18167 311 1 . 1 1 57 57 ASN CB C 75 42.369 42.369 42.294 0.075 18167 312 1 . 1 1 57 57 ASN H H 75 8.891 8.891 8.573 0.318 18167 313 1 . 1 1 58 58 LEU N N 76 116.438 116.438 121.722 -5.284 18167 314 1 . 1 1 58 58 LEU HA H 76 5.341 5.341 5.083 0.258 18167 315 1 . 1 1 58 58 LEU C C 76 174.630 174.630 174.514 0.116 18167 316 1 . 1 1 58 58 LEU CA C 76 52.828 52.828 53.793 -0.965 18167 317 1 . 1 1 58 58 LEU CB C 76 45.879 45.879 45.757 0.122 18167 318 1 . 1 1 58 58 LEU H H 76 9.166 9.166 8.457 0.709 18167 319 1 . 1 1 59 59 SER N N 77 114.543 114.543 118.940 -4.397 18167 320 1 . 1 1 59 59 SER HA H 77 5.432 5.432 4.910 0.522 18167 321 1 . 1 1 59 59 SER C C 77 172.602 172.602 172.600 0.002 18167 322 1 . 1 1 59 59 SER CA C 77 56.593 56.593 57.106 -0.513 18167 323 1 . 1 1 59 59 SER CB C 77 66.720 66.720 65.719 1.001 18167 324 1 . 1 1 59 59 SER H H 77 8.352 8.352 8.835 -0.483 18167 325 1 . 1 1 60 60 VAL N N 78 122.017 122.017 123.726 -1.709 18167 326 1 . 1 1 60 60 VAL HA H 78 4.969 4.969 4.488 0.481 18167 327 1 . 1 1 60 60 VAL C C 78 174.861 174.861 174.418 0.443 18167 328 1 . 1 1 60 60 VAL CA C 78 61.184 61.184 60.738 0.446 18167 329 1 . 1 1 60 60 VAL CB C 78 33.312 33.312 33.572 -0.260 18167 330 1 . 1 1 60 60 VAL H H 78 8.306 8.306 8.401 -0.095 18167 331 1 . 1 1 61 61 ILE N N 79 128.458 128.458 127.283 1.175 18167 332 1 . 1 1 61 61 ILE HA H 79 4.721 4.721 4.637 0.084 18167 333 1 . 1 1 61 61 ILE C C 79 175.639 175.639 174.492 1.147 18167 334 1 . 1 1 61 61 ILE CA C 79 60.244 60.244 60.436 -0.192 18167 335 1 . 1 1 61 61 ILE CB C 79 41.286 41.286 40.158 1.128 18167 336 1 . 1 1 61 61 ILE H H 79 9.193 9.193 7.849 1.344 18167 337 1 . 1 1 62 62 ILE N N 80 129.957 129.957 127.516 2.441 18167 338 1 . 1 1 62 62 ILE HA H 80 5.042 5.042 5.036 0.006 18167 339 1 . 1 1 62 62 ILE C C 80 175.727 175.727 175.049 0.678 18167 340 1 . 1 1 62 62 ILE CA C 80 60.158 60.158 59.208 0.950 18167 341 1 . 1 1 62 62 ILE CB C 80 39.777 39.777 39.912 -0.135 18167 342 1 . 1 1 62 62 ILE H H 80 9.140 9.140 8.886 0.254 18167 343 1 . 1 1 63 63 SER N N 81 122.084 122.084 120.803 1.281 18167 344 1 . 1 1 63 63 SER HA H 81 4.878 4.878 4.771 0.107 18167 345 1 . 1 1 63 63 SER C C 81 172.933 172.933 172.274 0.659 18167 346 1 . 1 1 63 63 SER CA C 81 56.689 56.689 56.977 -0.288 18167 347 1 . 1 1 63 63 SER CB C 81 65.862 65.862 66.460 -0.599 18167 348 1 . 1 1 63 63 SER H H 81 9.079 9.079 8.871 0.208 18167 349 1 . 1 1 64 64 GLU N N 82 121.983 121.983 121.804 0.179 18167 350 1 . 1 1 64 64 GLU HA H 82 4.592 4.592 4.759 -0.167 18167 351 1 . 1 1 64 64 GLU C C 82 176.501 176.501 176.198 0.303 18167 352 1 . 1 1 64 64 GLU CA C 82 56.841 56.841 54.940 1.901 18167 353 1 . 1 1 64 64 GLU CB C 82 30.510 30.510 31.090 -0.580 18167 354 1 . 1 1 64 64 GLU H H 82 8.664 8.664 8.479 0.185 18167 355 1 . 1 1 65 65 ILE N N 83 121.194 121.194 120.469 0.725 18167 356 1 . 1 1 65 65 ILE HA H 83 4.577 4.577 4.592 -0.015 18167 357 1 . 1 1 65 65 ILE C C 83 173.233 173.233 174.230 -0.997 18167 358 1 . 1 1 65 65 ILE CA C 83 58.798 58.798 58.112 0.686 18167 359 1 . 1 1 65 65 ILE CB C 83 39.488 39.488 37.901 1.587 18167 360 1 . 1 1 65 65 ILE H H 83 8.271 8.271 8.025 0.246 18167 361 1 . 1 1 66 66 PRO HA H 84 4.451 4.451 4.534 -0.083 18167 362 1 . 1 1 66 66 PRO C C 84 177.697 177.697 177.273 0.424 18167 363 1 . 1 1 66 66 PRO CA C 84 63.197 63.197 62.769 0.428 18167 364 1 . 1 1 66 66 PRO CB C 84 32.065 32.065 32.551 -0.486 18167 365 1 . 1 1 67 67 SER N N 85 116.018 116.018 117.700 -1.682 18167 366 1 . 1 1 67 67 SER HA H 85 4.149 4.149 4.189 -0.040 18167 367 1 . 1 1 67 67 SER C C 85 174.387 174.387 175.057 -0.670 18167 368 1 . 1 1 67 67 SER CA C 85 60.348 60.348 60.421 -0.073 18167 369 1 . 1 1 67 67 SER CB C 85 63.402 63.402 63.211 0.191 18167 370 1 . 1 1 67 67 SER H H 85 8.465 8.465 8.554 -0.089 18167 371 1 . 1 1 68 68 ASP N N 86 118.568 118.568 119.176 -0.608 18167 372 1 . 1 1 68 68 ASP HA H 86 4.558 4.558 4.601 -0.043 18167 373 1 . 1 1 68 68 ASP C C 86 175.732 175.732 175.855 -0.123 18167 374 1 . 1 1 68 68 ASP CA C 86 53.810 53.810 54.977 -1.167 18167 375 1 . 1 1 68 68 ASP CB C 86 40.218 40.218 41.010 -0.792 18167 376 1 . 1 1 68 68 ASP H H 86 8.531 8.531 8.374 0.157 18167 377 1 . 1 1 69 69 LYS N N 87 119.225 119.225 117.729 1.496 18167 378 1 . 1 1 69 69 LYS HA H 87 4.682 4.682 4.650 0.032 18167 379 1 . 1 1 69 69 LYS C C 87 175.814 175.814 175.009 0.805 18167 380 1 . 1 1 69 69 LYS CA C 87 54.861 54.861 55.242 -0.381 18167 381 1 . 1 1 69 69 LYS CB C 87 33.706 33.706 35.704 -1.998 18167 382 1 . 1 1 69 69 LYS H H 87 7.653 7.653 7.440 0.213 18167 383 1 . 1 1 70 70 THR N N 88 113.175 113.175 113.371 -0.196 18167 384 1 . 1 1 70 70 THR HA H 88 4.529 4.529 4.539 -0.010 18167 385 1 . 1 1 70 70 THR C C 88 175.278 175.278 175.580 -0.302 18167 386 1 . 1 1 70 70 THR CA C 88 60.699 60.699 59.635 1.064 18167 387 1 . 1 1 70 70 THR CB C 88 70.710 70.710 71.230 -0.520 18167 388 1 . 1 1 70 70 THR H H 88 8.608 8.608 8.094 0.514 18167 389 1 . 1 1 71 71 LEU N N 89 121.978 121.978 122.427 -0.449 18167 390 1 . 1 1 71 71 LEU HA H 89 3.937 3.937 3.956 -0.019 18167 391 1 . 1 1 71 71 LEU C C 89 177.698 177.698 177.786 -0.088 18167 392 1 . 1 1 71 71 LEU CA C 89 57.764 57.764 58.368 -0.604 18167 393 1 . 1 1 71 71 LEU CB C 89 42.495 42.495 41.773 0.722 18167 394 1 . 1 1 71 71 LEU H H 89 7.998 7.998 8.849 -0.851 18167 395 1 . 1 1 72 72 THR N N 90 106.680 106.680 109.480 -2.800 18167 396 1 . 1 1 72 72 THR HA H 90 4.221 4.221 4.060 0.161 18167 397 1 . 1 1 72 72 THR C C 90 176.248 176.248 175.440 0.808 18167 398 1 . 1 1 72 72 THR CA C 90 63.648 63.648 64.944 -1.296 18167 399 1 . 1 1 72 72 THR CB C 90 68.620 68.620 68.485 0.135 18167 400 1 . 1 1 72 72 THR H H 90 7.798 7.798 7.779 0.019 18167 401 1 . 1 1 73 73 ASP N N 91 120.626 120.626 120.325 0.301 18167 402 1 . 1 1 73 73 ASP HA H 91 4.610 4.610 4.524 0.086 18167 403 1 . 1 1 73 73 ASP C C 91 177.133 177.133 178.089 -0.956 18167 404 1 . 1 1 73 73 ASP CA C 91 55.601 55.601 55.839 -0.238 18167 405 1 . 1 1 73 73 ASP CB C 91 41.673 41.673 40.771 0.902 18167 406 1 . 1 1 73 73 ASP H H 91 7.805 7.805 8.068 -0.263 18167 407 1 . 1 1 74 74 LEU N N 92 120.238 120.238 119.650 0.588 18167 408 1 . 1 1 74 74 LEU HA H 92 4.221 4.221 4.041 0.180 18167 409 1 . 1 1 74 74 LEU C C 92 176.907 176.907 176.783 0.124 18167 410 1 . 1 1 74 74 LEU CA C 92 55.643 55.643 56.723 -1.080 18167 411 1 . 1 1 74 74 LEU CB C 92 41.324 41.324 42.697 -1.373 18167 412 1 . 1 1 74 74 LEU H H 92 8.182 8.182 8.164 0.018 18167 413 1 . 1 1 75 75 GLY N N 93 105.772 105.772 101.657 4.115 18167 414 1 . 1 1 75 75 GLY C C 93 173.853 173.853 171.982 1.871 18167 415 1 . 1 1 75 75 GLY CA C 93 44.028 44.028 44.705 -0.677 18167 416 1 . 1 1 75 75 GLY H H 93 7.713 7.713 7.383 0.330 18167 417 1 . 1 1 76 76 THR N N 94 111.354 111.354 109.703 1.651 18167 418 1 . 1 1 76 76 THR HA H 94 4.426 4.426 4.788 -0.362 18167 419 1 . 1 1 76 76 THR C C 94 174.396 174.396 176.003 -1.607 18167 420 1 . 1 1 76 76 THR CA C 94 61.220 61.220 60.071 1.149 18167 421 1 . 1 1 76 76 THR CB C 94 71.400 71.400 71.948 -0.548 18167 422 1 . 1 1 76 76 THR H H 94 8.842 8.842 8.211 0.631 18167 423 1 . 1 1 77 77 ALA N N 95 122.586 122.586 123.559 -0.973 18167 424 1 . 1 1 77 77 ALA HA H 95 3.326 3.326 3.907 -0.581 18167 425 1 . 1 1 77 77 ALA C C 95 179.120 179.120 179.453 -0.333 18167 426 1 . 1 1 77 77 ALA CA C 95 55.624 55.624 55.544 0.080 18167 427 1 . 1 1 77 77 ALA CB C 95 16.979 16.979 17.857 -0.878 18167 428 1 . 1 1 77 77 ALA H H 95 8.861 8.861 8.905 -0.044 18167 429 1 . 1 1 78 78 THR N N 96 110.298 110.298 114.752 -4.454 18167 430 1 . 1 1 78 78 THR HA H 96 3.479 3.479 3.968 -0.489 18167 431 1 . 1 1 78 78 THR C C 96 175.297 175.297 176.641 -1.344 18167 432 1 . 1 1 78 78 THR CA C 96 66.314 66.314 66.574 -0.260 18167 433 1 . 1 1 78 78 THR CB C 96 68.335 68.335 68.514 -0.179 18167 434 1 . 1 1 78 78 THR H H 96 7.757 7.757 7.730 0.027 18167 435 1 . 1 1 79 79 ASP N N 97 122.829 122.829 122.477 0.352 18167 436 1 . 1 1 79 79 ASP HA H 97 4.412 4.412 4.608 -0.196 18167 437 1 . 1 1 79 79 ASP C C 97 179.693 179.693 178.704 0.989 18167 438 1 . 1 1 79 79 ASP CA C 97 57.994 57.994 57.392 0.602 18167 439 1 . 1 1 79 79 ASP CB C 97 40.531 40.531 40.826 -0.296 18167 440 1 . 1 1 79 79 ASP H H 97 7.448 7.448 8.083 -0.635 18167 441 1 . 1 1 80 80 VAL N N 98 121.175 121.175 119.377 1.798 18167 442 1 . 1 1 80 80 VAL HA H 98 3.482 3.482 3.752 -0.270 18167 443 1 . 1 1 80 80 VAL C C 98 178.667 178.667 178.208 0.459 18167 444 1 . 1 1 80 80 VAL CA C 98 66.557 66.557 66.504 0.053 18167 445 1 . 1 1 80 80 VAL CB C 98 31.508 31.508 31.637 -0.129 18167 446 1 . 1 1 80 80 VAL H H 98 8.390 8.390 8.755 -0.365 18167 447 1 . 1 1 81 81 GLY N N 99 108.920 108.920 108.133 0.787 18167 448 1 . 1 1 81 81 GLY C C 99 175.133 175.133 176.128 -0.995 18167 449 1 . 1 1 81 81 GLY CA C 99 49.050 49.050 47.384 1.666 18167 450 1 . 1 1 81 81 GLY H H 99 8.630 8.630 7.881 0.749 18167 451 1 . 1 1 82 82 TYR N N 100 121.598 121.598 122.092 -0.494 18167 452 1 . 1 1 82 82 TYR HA H 100 4.328 4.328 4.292 0.036 18167 453 1 . 1 1 82 82 TYR C C 100 179.383 179.383 178.510 0.873 18167 454 1 . 1 1 82 82 TYR CA C 100 61.739 61.739 61.532 0.207 18167 455 1 . 1 1 82 82 TYR CB C 100 37.099 37.099 38.170 -1.071 18167 456 1 . 1 1 82 82 TYR H H 100 8.880 8.880 7.980 0.900 18167 457 1 . 1 1 83 83 ARG N N 101 121.436 121.436 119.046 2.390 18167 458 1 . 1 1 83 83 ARG HA H 101 4.087 4.087 4.001 0.086 18167 459 1 . 1 1 83 83 ARG C C 101 178.906 178.906 178.739 0.167 18167 460 1 . 1 1 83 83 ARG CA C 101 59.547 59.547 59.278 0.269 18167 461 1 . 1 1 83 83 ARG CB C 101 29.623 29.623 29.816 -0.193 18167 462 1 . 1 1 83 83 ARG H H 101 8.102 8.102 8.223 -0.121 18167 463 1 . 1 1 84 84 PHE N N 102 121.581 121.581 122.177 -0.596 18167 464 1 . 1 1 84 84 PHE HA H 102 4.387 4.387 4.218 0.169 18167 465 1 . 1 1 84 84 PHE C C 102 177.731 177.731 177.129 0.602 18167 466 1 . 1 1 84 84 PHE CA C 102 60.006 60.006 61.307 -1.301 18167 467 1 . 1 1 84 84 PHE CB C 102 38.241 38.241 38.974 -0.733 18167 468 1 . 1 1 84 84 PHE H H 102 8.511 8.511 8.512 -0.001 18167 469 1 . 1 1 85 85 MET N N 103 117.909 117.909 118.184 -0.275 18167 470 1 . 1 1 85 85 MET HA H 103 3.850 3.850 3.818 0.032 18167 471 1 . 1 1 85 85 MET C C 103 178.063 178.063 178.281 -0.218 18167 472 1 . 1 1 85 85 MET CA C 103 57.352 57.352 57.594 -0.242 18167 473 1 . 1 1 85 85 MET CB C 103 33.654 33.654 31.181 2.473 18167 474 1 . 1 1 85 85 MET H H 103 8.350 8.350 7.794 0.556 18167 475 1 . 1 1 86 86 LYS N N 104 118.874 118.874 120.081 -1.207 18167 476 1 . 1 1 86 86 LYS HA H 104 4.004 4.004 3.950 0.054 18167 477 1 . 1 1 86 86 LYS C C 104 177.910 177.910 178.965 -1.055 18167 478 1 . 1 1 86 86 LYS CA C 104 59.448 59.448 59.764 -0.315 18167 479 1 . 1 1 86 86 LYS CB C 104 31.685 31.685 32.240 -0.555 18167 480 1 . 1 1 86 86 LYS H H 104 7.578 7.578 7.765 -0.187 18167 481 1 . 1 1 87 87 THR N N 105 114.567 114.567 116.397 -1.830 18167 482 1 . 1 1 87 87 THR HA H 105 3.949 3.949 3.962 -0.013 18167 483 1 . 1 1 87 87 THR C C 105 176.912 176.912 176.558 0.354 18167 484 1 . 1 1 87 87 THR CA C 105 66.108 66.108 66.709 -0.601 18167 485 1 . 1 1 87 87 THR CB C 105 68.909 68.909 68.550 0.359 18167 486 1 . 1 1 87 87 THR H H 105 7.667 7.667 7.854 -0.187 18167 487 1 . 1 1 88 88 VAL N N 106 122.160 122.160 120.205 1.955 18167 488 1 . 1 1 88 88 VAL HA H 106 3.491 3.491 3.439 0.052 18167 489 1 . 1 1 88 88 VAL C C 106 178.950 178.950 178.003 0.947 18167 490 1 . 1 1 88 88 VAL CA C 106 65.824 65.824 65.787 0.037 18167 491 1 . 1 1 88 88 VAL CB C 106 31.509 31.509 31.182 0.327 18167 492 1 . 1 1 88 88 VAL H H 106 7.600 7.600 7.906 -0.306 18167 493 1 . 1 1 89 89 ASN N N 107 120.741 120.741 118.981 1.760 18167 494 1 . 1 1 89 89 ASN HA H 107 4.490 4.490 4.362 0.128 18167 495 1 . 1 1 89 89 ASN C C 107 178.483 178.483 177.043 1.440 18167 496 1 . 1 1 89 89 ASN CA C 107 55.942 55.942 55.552 0.390 18167 497 1 . 1 1 89 89 ASN CB C 107 37.890 37.890 37.745 0.145 18167 498 1 . 1 1 89 89 ASN H H 107 8.501 8.501 8.352 0.149 18167 499 1 . 1 1 90 90 ASP N N 108 121.211 121.211 120.031 1.180 18167 500 1 . 1 1 90 90 ASP HA H 108 4.480 4.480 4.328 0.152 18167 501 1 . 1 1 90 90 ASP C C 108 177.598 177.598 177.123 0.475 18167 502 1 . 1 1 90 90 ASP CA C 108 56.367 56.367 56.902 -0.535 18167 503 1 . 1 1 90 90 ASP CB C 108 40.242 40.242 40.553 -0.311 18167 504 1 . 1 1 90 90 ASP H H 108 8.824 8.824 8.387 0.437 18167 505 1 . 1 1 91 91 ALA N N 109 121.181 121.181 119.383 1.798 18167 506 1 . 1 1 91 91 ALA HA H 109 4.392 4.392 4.301 0.091 18167 507 1 . 1 1 91 91 ALA C C 109 177.936 177.936 178.123 -0.187 18167 508 1 . 1 1 91 91 ALA CA C 109 52.692 52.692 53.463 -0.771 18167 509 1 . 1 1 91 91 ALA CB C 109 18.889 18.889 19.625 -0.736 18167 510 1 . 1 1 91 91 ALA H H 109 7.507 7.507 7.435 0.072 18167 511 1 . 1 1 92 92 SER N N 110 113.785 113.785 113.101 0.684 18167 512 1 . 1 1 92 92 SER HA H 110 4.537 4.537 4.582 -0.045 18167 513 1 . 1 1 92 92 SER C C 110 174.252 174.252 175.233 -0.981 18167 514 1 . 1 1 92 92 SER CA C 110 58.565 58.565 57.946 0.619 18167 515 1 . 1 1 92 92 SER CB C 110 64.795 64.795 64.049 0.746 18167 516 1 . 1 1 92 92 SER H H 110 7.611 7.611 7.645 -0.034 18167 517 1 . 1 1 93 93 GLN N N 111 119.994 119.994 121.458 -1.464 18167 518 1 . 1 1 93 93 GLN HA H 111 4.423 4.423 4.171 0.252 18167 519 1 . 1 1 93 93 GLN C C 111 176.441 176.441 177.341 -0.900 18167 520 1 . 1 1 93 93 GLN CA C 111 55.792 55.792 57.939 -2.147 18167 521 1 . 1 1 93 93 GLN CB C 111 28.843 28.843 28.409 0.434 18167 522 1 . 1 1 93 93 GLN H H 111 8.414 8.414 8.263 0.151 18167 523 1 . 1 1 94 94 GLY N N 112 107.948 107.948 108.471 -0.523 18167 524 1 . 1 1 94 94 GLY C C 112 174.406 174.406 175.002 -0.596 18167 525 1 . 1 1 94 94 GLY CA C 112 45.942 45.942 46.547 -0.605 18167 526 1 . 1 1 94 94 GLY H H 112 8.467 8.467 8.495 -0.028 18167 527 1 . 1 1 95 95 ASP N N 113 119.500 119.500 119.364 0.136 18167 528 1 . 1 1 95 95 ASP HA H 113 4.556 4.556 4.718 -0.162 18167 529 1 . 1 1 95 95 ASP C C 113 175.438 175.438 175.936 -0.498 18167 530 1 . 1 1 95 95 ASP CA C 113 54.680 54.680 54.500 0.180 18167 531 1 . 1 1 95 95 ASP CB C 113 40.194 40.194 41.951 -1.757 18167 532 1 . 1 1 95 95 ASP H H 113 8.423 8.423 8.050 0.373 18167 533 1 . 1 1 96 96 ARG N N 114 118.992 118.992 121.213 -2.221 18167 534 1 . 1 1 96 96 ARG HA H 114 5.061 5.061 4.525 0.536 18167 535 1 . 1 1 96 96 ARG C C 114 175.699 175.699 174.630 1.069 18167 536 1 . 1 1 96 96 ARG CA C 114 55.043 55.043 56.127 -1.084 18167 537 1 . 1 1 96 96 ARG CB C 114 32.640 32.640 31.381 1.259 18167 538 1 . 1 1 96 96 ARG H H 114 7.507 7.507 7.776 -0.269 18167 539 1 . 1 1 97 97 GLN N N 115 121.149 121.149 121.902 -0.753 18167 540 1 . 1 1 97 97 GLN HA H 115 4.669 4.669 4.674 -0.005 18167 541 1 . 1 1 97 97 GLN C C 115 173.696 173.696 173.915 -0.219 18167 542 1 . 1 1 97 97 GLN CA C 115 54.557 54.557 54.360 0.197 18167 543 1 . 1 1 97 97 GLN CB C 115 32.073 32.073 33.561 -1.488 18167 544 1 . 1 1 97 97 GLN H H 115 8.814 8.814 8.320 0.494 18167 545 1 . 1 1 98 98 ALA N N 116 129.789 129.789 125.846 3.943 18167 546 1 . 1 1 98 98 ALA HA H 116 5.316 5.316 5.211 0.105 18167 547 1 . 1 1 98 98 ALA C C 116 176.503 176.503 176.456 0.047 18167 548 1 . 1 1 98 98 ALA CA C 116 50.814 50.814 50.362 0.452 18167 549 1 . 1 1 98 98 ALA CB C 116 21.042 21.042 20.687 0.355 18167 550 1 . 1 1 98 98 ALA H H 116 9.836 9.836 8.587 1.249 18167 551 1 . 1 1 99 99 GLU N N 117 122.780 122.780 123.251 -0.471 18167 552 1 . 1 1 99 99 GLU HA H 117 4.603 4.603 4.649 -0.046 18167 553 1 . 1 1 99 99 GLU C C 117 174.361 174.361 175.051 -0.690 18167 554 1 . 1 1 99 99 GLU CA C 117 54.320 54.320 54.586 -0.267 18167 555 1 . 1 1 99 99 GLU CB C 117 33.312 33.312 32.983 0.329 18167 556 1 . 1 1 99 99 GLU H H 117 9.252 9.252 8.629 0.623 18167 557 1 . 1 1 100 100 LEU N N 118 127.043 127.043 128.372 -1.329 18167 558 1 . 1 1 100 100 LEU HA H 118 4.307 4.307 4.413 -0.106 18167 559 1 . 1 1 100 100 LEU C C 118 176.338 176.338 176.458 -0.120 18167 560 1 . 1 1 100 100 LEU CA C 118 55.522 55.522 55.008 0.514 18167 561 1 . 1 1 100 100 LEU CB C 118 42.641 42.641 42.006 0.635 18167 562 1 . 1 1 100 100 LEU H H 118 8.765 8.765 8.808 -0.043 18167 563 1 . 1 1 101 101 ILE N N 119 128.101 128.101 127.812 0.289 18167 564 1 . 1 1 101 101 ILE HA H 119 4.096 4.096 3.855 0.241 18167 565 1 . 1 1 101 101 ILE C C 119 175.634 175.634 176.470 -0.836 18167 566 1 . 1 1 101 101 ILE CA C 119 62.403 62.403 63.339 -0.936 18167 567 1 . 1 1 101 101 ILE CB C 119 39.058 39.058 38.588 0.470 18167 568 1 . 1 1 101 101 ILE H H 119 9.244 9.244 8.643 0.601 18167 569 1 . 1 1 102 102 ASN N N 120 114.715 114.715 114.690 0.025 18167 570 1 . 1 1 102 102 ASN HA H 120 4.955 4.955 4.805 0.150 18167 571 1 . 1 1 102 102 ASN C C 120 172.326 172.326 172.781 -0.455 18167 572 1 . 1 1 102 102 ASN CA C 120 53.373 53.373 52.675 0.698 18167 573 1 . 1 1 102 102 ASN CB C 120 42.887 42.887 41.403 1.484 18167 574 1 . 1 1 102 102 ASN H H 120 7.989 7.989 7.921 0.068 18167 575 1 . 1 1 103 103 ALA N N 121 125.011 125.011 122.377 2.634 18167 576 1 . 1 1 103 103 ALA HA H 121 5.457 5.457 5.184 0.273 18167 577 1 . 1 1 103 103 ALA C C 121 175.068 175.068 175.521 -0.453 18167 578 1 . 1 1 103 103 ALA CA C 121 51.359 51.359 51.496 -0.137 18167 579 1 . 1 1 103 103 ALA CB C 121 22.409 22.409 21.316 1.093 18167 580 1 . 1 1 103 103 ALA H H 121 8.182 8.182 8.398 -0.216 18167 581 1 . 1 1 104 104 GLU N N 122 121.148 121.148 120.384 0.764 18167 582 1 . 1 1 104 104 GLU HA H 122 4.695 4.695 4.597 0.098 18167 583 1 . 1 1 104 104 GLU C C 122 173.666 173.666 174.052 -0.386 18167 584 1 . 1 1 104 104 GLU CA C 122 55.093 55.093 54.823 0.270 18167 585 1 . 1 1 104 104 GLU CB C 122 34.510 34.510 34.511 -0.001 18167 586 1 . 1 1 104 104 GLU H H 122 8.817 8.817 8.481 0.336 18167 587 1 . 1 1 105 105 ALA N N 123 124.441 124.441 123.213 1.228 18167 588 1 . 1 1 105 105 ALA HA H 123 5.527 5.527 5.401 0.126 18167 589 1 . 1 1 105 105 ALA C C 123 176.479 176.479 176.560 -0.081 18167 590 1 . 1 1 105 105 ALA CA C 123 51.131 51.131 50.765 0.366 18167 591 1 . 1 1 105 105 ALA CB C 123 22.851 22.851 21.784 1.067 18167 592 1 . 1 1 105 105 ALA H H 123 8.860 8.860 8.374 0.486 18167 593 1 . 1 1 106 106 ARG N N 124 120.892 120.892 120.259 0.633 18167 594 1 . 1 1 106 106 ARG HA H 124 4.823 4.823 4.734 0.089 18167 595 1 . 1 1 106 106 ARG C C 124 172.820 172.820 174.486 -1.666 18167 596 1 . 1 1 106 106 ARG CA C 124 54.772 54.772 54.816 -0.043 18167 597 1 . 1 1 106 106 ARG CB C 124 33.270 33.270 34.203 -0.933 18167 598 1 . 1 1 106 106 ARG H H 124 9.209 9.209 9.000 0.209 18167 599 1 . 1 1 107 107 ASP N N 125 122.706 122.706 123.390 -0.684 18167 600 1 . 1 1 107 107 ASP HA H 125 5.239 5.239 5.591 -0.352 18167 601 1 . 1 1 107 107 ASP C C 125 176.097 176.097 175.593 0.504 18167 602 1 . 1 1 107 107 ASP CA C 125 52.944 52.944 53.138 -0.194 18167 603 1 . 1 1 107 107 ASP CB C 125 43.138 43.138 42.001 1.137 18167 604 1 . 1 1 107 107 ASP H H 125 8.633 8.633 8.672 -0.039 18167 605 1 . 1 1 108 108 GLU N N 126 126.120 126.120 124.802 1.318 18167 606 1 . 1 1 108 108 GLU HA H 126 4.705 4.705 4.684 0.021 18167 607 1 . 1 1 108 108 GLU C C 126 175.768 175.768 176.238 -0.470 18167 608 1 . 1 1 108 108 GLU CA C 126 55.017 55.017 55.362 -0.345 18167 609 1 . 1 1 108 108 GLU CB C 126 30.424 30.424 33.699 -3.274 18167 610 1 . 1 1 108 108 GLU H H 126 9.152 9.152 9.272 -0.120 18167 611 1 . 1 1 109 109 ASP N N 127 126.277 126.277 123.183 3.094 18167 612 1 . 1 1 109 109 ASP HA H 127 4.354 4.354 4.380 -0.026 18167 613 1 . 1 1 109 109 ASP C C 127 175.414 175.414 176.576 -1.162 18167 614 1 . 1 1 109 109 ASP CA C 127 55.390 55.390 54.963 0.427 18167 615 1 . 1 1 109 109 ASP CB C 127 40.242 40.242 39.815 0.427 18167 616 1 . 1 1 109 109 ASP H H 127 9.067 9.067 9.146 -0.079 18167 617 1 . 1 1 110 110 GLY N N 128 106.859 106.859 103.418 3.441 18167 618 1 . 1 1 110 110 GLY C C 128 173.761 173.761 174.140 -0.379 18167 619 1 . 1 1 110 110 GLY CA C 128 45.242 45.242 45.274 -0.032 18167 620 1 . 1 1 110 110 GLY H H 128 9.008 9.008 8.524 0.484 18167 621 1 . 1 1 111 111 GLN N N 129 123.033 123.033 120.079 2.954 18167 622 1 . 1 1 111 111 GLN HA H 129 4.383 4.383 4.541 -0.158 18167 623 1 . 1 1 111 111 GLN C C 129 173.901 173.901 174.355 -0.454 18167 624 1 . 1 1 111 111 GLN CA C 129 53.936 53.936 54.294 -0.358 18167 625 1 . 1 1 111 111 GLN CB C 129 29.183 29.183 30.825 -1.642 18167 626 1 . 1 1 111 111 GLN H H 129 7.825 7.825 8.224 -0.399 18167 627 1 . 1 1 112 112 VAL N N 130 128.263 128.263 123.563 4.700 18167 628 1 . 1 1 112 112 VAL HA H 130 4.872 4.872 4.833 0.039 18167 629 1 . 1 1 112 112 VAL C C 130 175.591 175.591 174.827 0.764 18167 630 1 . 1 1 112 112 VAL CA C 130 62.103 62.103 61.178 0.925 18167 631 1 . 1 1 112 112 VAL CB C 130 32.373 32.373 33.067 -0.694 18167 632 1 . 1 1 112 112 VAL H H 130 8.330 8.330 8.369 -0.039 18167 633 1 . 1 1 113 113 TYR N N 131 126.702 126.702 125.014 1.688 18167 634 1 . 1 1 113 113 TYR HA H 131 5.050 5.050 4.908 0.142 18167 635 1 . 1 1 113 113 TYR C C 131 175.477 175.477 174.930 0.547 18167 636 1 . 1 1 113 113 TYR CA C 131 56.423 56.423 56.183 0.240 18167 637 1 . 1 1 113 113 TYR CB C 131 41.489 41.489 40.620 0.869 18167 638 1 . 1 1 113 113 TYR H H 131 9.136 9.136 9.304 -0.168 18167 639 1 . 1 1 114 114 TYR N N 132 121.626 121.626 124.138 -2.512 18167 640 1 . 1 1 114 114 TYR HA H 132 5.830 5.830 5.121 0.709 18167 641 1 . 1 1 114 114 TYR C C 132 175.368 175.368 175.585 -0.217 18167 642 1 . 1 1 114 114 TYR CA C 132 54.068 54.068 55.940 -1.872 18167 643 1 . 1 1 114 114 TYR CB C 132 39.317 39.317 40.127 -0.810 18167 644 1 . 1 1 114 114 TYR H H 132 9.577 9.577 9.572 0.005 18167 645 1 . 1 1 115 115 THR N N 133 120.018 120.018 121.485 -1.467 18167 646 1 . 1 1 115 115 THR HA H 133 5.486 5.486 4.596 0.890 18167 647 1 . 1 1 115 115 THR C C 133 174.327 174.327 172.897 1.430 18167 648 1 . 1 1 115 115 THR CA C 133 61.648 61.648 62.287 -0.639 18167 649 1 . 1 1 115 115 THR CB C 133 69.622 69.622 69.873 -0.251 18167 650 1 . 1 1 115 115 THR H H 133 9.351 9.351 9.323 0.028 18167 651 1 . 1 1 116 116 LEU N N 134 127.249 127.249 128.426 -1.177 18167 652 1 . 1 1 116 116 LEU HA H 134 5.295 5.295 4.778 0.517 18167 653 1 . 1 1 116 116 LEU C C 134 174.347 174.347 174.402 -0.055 18167 654 1 . 1 1 116 116 LEU CA C 134 52.628 52.628 54.141 -1.513 18167 655 1 . 1 1 116 116 LEU CB C 134 44.535 44.535 44.927 -0.392 18167 656 1 . 1 1 116 116 LEU H H 134 10.010 10.010 9.348 0.662 18167 657 1 . 1 1 117 117 GLU N N 135 124.969 124.969 126.139 -1.170 18167 658 1 . 1 1 117 117 GLU HA H 135 5.578 5.578 4.742 0.836 18167 659 1 . 1 1 117 117 GLU C C 135 175.635 175.635 174.845 0.790 18167 660 1 . 1 1 117 117 GLU CA C 135 54.139 54.139 54.876 -0.737 18167 661 1 . 1 1 117 117 GLU CB C 135 32.163 32.163 32.534 -0.371 18167 662 1 . 1 1 117 117 GLU H H 135 9.109 9.109 8.751 0.358 18167 663 1 . 1 1 118 118 TYR N N 136 125.868 125.868 122.955 2.913 18167 664 1 . 1 1 118 118 TYR HA H 136 5.275 5.275 5.541 -0.266 18167 665 1 . 1 1 118 118 TYR C C 136 170.317 170.317 172.653 -2.336 18167 666 1 . 1 1 118 118 TYR CA C 136 56.011 56.011 55.982 0.029 18167 667 1 . 1 1 118 118 TYR CB C 136 42.516 42.516 42.124 0.392 18167 668 1 . 1 1 118 118 TYR H H 136 8.973 8.973 8.496 0.477 18167 669 1 . 1 1 119 119 ARG N N 137 115.256 115.256 117.187 -1.931 18167 670 1 . 1 1 119 119 ARG HA H 137 5.077 5.077 4.481 0.596 18167 671 1 . 1 1 119 119 ARG C C 137 173.643 173.643 174.206 -0.563 18167 672 1 . 1 1 119 119 ARG CA C 137 53.123 53.123 54.311 -1.188 18167 673 1 . 1 1 119 119 ARG CB C 137 33.185 33.185 34.254 -1.069 18167 674 1 . 1 1 119 119 ARG H H 137 8.920 8.920 8.791 0.129 18167 675 1 . 1 1 120 120 VAL N N 138 119.767 119.767 119.606 0.160 18167 676 1 . 1 1 120 120 VAL HA H 138 4.786 4.786 4.862 -0.076 18167 677 1 . 1 1 120 120 VAL C C 138 174.355 174.355 174.600 -0.245 18167 678 1 . 1 1 120 120 VAL CA C 138 61.783 61.783 60.881 0.903 18167 679 1 . 1 1 120 120 VAL CB C 138 34.162 34.162 33.344 0.818 18167 680 1 . 1 1 120 120 VAL H H 138 8.430 8.430 8.479 -0.049 18167 681 1 . 1 1 121 121 LEU N N 139 129.915 129.915 125.291 4.624 18167 682 1 . 1 1 121 121 LEU HA H 139 5.085 5.085 5.073 0.012 18167 683 1 . 1 1 121 121 LEU C C 139 176.376 176.376 174.868 1.508 18167 684 1 . 1 1 121 121 LEU CA C 139 54.659 54.659 54.123 0.536 18167 685 1 . 1 1 121 121 LEU CB C 139 44.122 44.122 45.210 -1.088 18167 686 1 . 1 1 121 121 LEU H H 139 9.333 9.333 8.736 0.597 18167 687 1 . 1 1 122 122 VAL N N 140 120.956 120.956 121.365 -0.409 18167 688 1 . 1 1 122 122 VAL HA H 140 4.375 4.375 4.463 -0.088 18167 689 1 . 1 1 122 122 VAL C C 140 177.264 177.264 176.955 0.309 18167 690 1 . 1 1 122 122 VAL CA C 140 61.468 61.468 60.251 1.217 18167 691 1 . 1 1 122 122 VAL CB C 140 32.874 32.874 32.993 -0.119 18167 692 1 . 1 1 122 122 VAL H H 140 8.655 8.655 8.231 0.424 18167 693 1 . 1 1 123 123 GLY N N 141 119.059 119.059 118.374 0.685 18167 694 1 . 1 1 123 123 GLY C C 141 174.482 174.482 174.166 0.316 18167 695 1 . 1 1 123 123 GLY CA C 141 47.168 47.168 46.682 0.486 18167 696 1 . 1 1 123 123 GLY H H 141 8.940 8.940 8.534 0.406 18167 697 1 . 1 1 124 124 ASP N N 142 124.652 124.652 124.571 0.081 18167 698 1 . 1 1 124 124 ASP HA H 142 4.634 4.634 4.784 -0.150 18167 699 1 . 1 1 124 124 ASP C C 142 175.588 175.588 175.179 0.409 18167 700 1 . 1 1 124 124 ASP CA C 142 54.390 54.390 53.543 0.847 18167 701 1 . 1 1 124 124 ASP CB C 142 41.264 41.264 41.051 0.213 18167 702 1 . 1 1 124 124 ASP H H 142 8.722 8.722 8.520 0.202 18167 703 1 . 1 1 125 125 ASN N N 143 118.203 118.203 118.331 -0.128 18167 704 1 . 1 1 125 125 ASN HA H 143 4.927 4.927 4.957 -0.030 18167 705 1 . 1 1 125 125 ASN C C 143 174.095 174.095 173.536 0.559 18167 706 1 . 1 1 125 125 ASN CA C 143 52.406 52.406 52.340 0.066 18167 707 1 . 1 1 125 125 ASN CB C 143 41.063 41.063 41.675 -0.612 18167 708 1 . 1 1 125 125 ASN H H 143 8.023 8.023 8.066 -0.043 18167 709 1 . 1 1 126 126 VAL N N 144 123.424 123.424 121.280 2.144 18167 710 1 . 1 1 126 126 VAL HA H 144 4.080 4.080 3.968 0.112 18167 711 1 . 1 1 126 126 VAL C C 144 175.767 175.767 175.463 0.304 18167 712 1 . 1 1 126 126 VAL CA C 144 63.309 63.309 62.607 0.702 18167 713 1 . 1 1 126 126 VAL H H 144 8.857 8.857 8.515 0.342 18167 714 1 . 1 1 127 127 GLU N N 145 130.709 130.709 129.045 1.664 18167 715 1 . 1 1 127 127 GLU HA H 145 4.405 4.405 4.193 0.212 18167 716 1 . 1 1 127 127 GLU C C 145 176.522 176.522 176.164 0.358 18167 717 1 . 1 1 127 127 GLU CA C 145 57.964 57.964 58.410 -0.446 18167 718 1 . 1 1 127 127 GLU CB C 145 32.355 32.355 31.079 1.276 18167 719 1 . 1 1 127 127 GLU H H 145 9.487 9.487 9.005 0.482 18167 720 1 . 1 1 128 128 ARG N N 146 113.222 113.222 112.737 0.485 18167 721 1 . 1 1 128 128 ARG HA H 146 5.061 5.061 4.518 0.543 18167 722 1 . 1 1 128 128 ARG C C 146 172.055 172.055 173.766 -1.711 18167 723 1 . 1 1 128 128 ARG CA C 146 54.381 54.381 55.298 -0.917 18167 724 1 . 1 1 128 128 ARG CB C 146 32.991 32.991 31.528 1.463 18167 725 1 . 1 1 128 128 ARG H H 146 7.657 7.657 7.556 0.101 18167 726 1 . 1 1 129 129 HIS N N 147 125.158 125.158 117.459 7.699 18167 727 1 . 1 1 129 129 HIS HA H 147 4.632 4.632 4.446 0.186 18167 728 1 . 1 1 129 129 HIS C C 147 172.407 172.407 173.014 -0.607 18167 729 1 . 1 1 129 129 HIS CA C 147 54.196 54.196 55.422 -1.226 18167 730 1 . 1 1 129 129 HIS CB C 147 31.936 31.936 31.456 0.480 18167 731 1 . 1 1 129 129 HIS H H 147 9.295 9.295 8.330 0.965 18167 732 1 . 1 1 130 130 ASP N N 148 122.383 122.383 121.055 1.328 18167 733 1 . 1 1 130 130 ASP HA H 148 6.127 6.127 5.014 1.113 18167 734 1 . 1 1 130 130 ASP C C 148 174.350 174.350 173.506 0.844 18167 735 1 . 1 1 130 130 ASP CA C 148 51.947 51.947 52.662 -0.715 18167 736 1 . 1 1 130 130 ASP CB C 148 42.968 42.968 44.330 -1.362 18167 737 1 . 1 1 130 130 ASP H H 148 8.879 8.879 8.120 0.759 18167 738 1 . 1 1 131 131 LEU N N 149 121.444 121.444 123.914 -2.470 18167 739 1 . 1 1 131 131 LEU HA H 149 5.289 5.289 4.917 0.372 18167 740 1 . 1 1 131 131 LEU C C 149 174.289 174.289 174.150 0.139 18167 741 1 . 1 1 131 131 LEU CA C 149 53.858 53.858 53.228 0.630 18167 742 1 . 1 1 131 131 LEU CB C 149 47.868 47.868 46.125 1.743 18167 743 1 . 1 1 131 131 LEU H H 149 8.916 8.916 8.239 0.677 18167 744 1 . 1 1 132 132 ALA N N 150 128.498 128.498 128.559 -0.061 18167 745 1 . 1 1 132 132 ALA HA H 150 6.030 6.030 5.535 0.495 18167 746 1 . 1 1 132 132 ALA C C 150 176.044 176.044 175.519 0.525 18167 747 1 . 1 1 132 132 ALA CA C 150 49.401 49.401 50.177 -0.775 18167 748 1 . 1 1 132 132 ALA CB C 150 21.823 21.823 22.551 -0.728 18167 749 1 . 1 1 132 132 ALA H H 150 9.920 9.920 9.258 0.662 18167 750 1 . 1 1 133 133 SER N N 151 116.937 116.937 118.058 -1.121 18167 751 1 . 1 1 133 133 SER HA H 151 5.812 5.812 5.491 0.321 18167 752 1 . 1 1 133 133 SER C C 151 173.367 173.367 173.380 -0.013 18167 753 1 . 1 1 133 133 SER CA C 151 56.394 56.394 56.511 -0.117 18167 754 1 . 1 1 133 133 SER CB C 151 65.448 65.448 65.294 0.154 18167 755 1 . 1 1 133 133 SER H H 151 9.360 9.360 8.424 0.936 18167 756 1 . 1 1 134 134 VAL N N 152 126.011 126.011 127.740 -1.729 18167 757 1 . 1 1 134 134 VAL HA H 152 5.409 5.409 4.858 0.551 18167 758 1 . 1 1 134 134 VAL C C 152 175.735 175.735 174.955 0.780 18167 759 1 . 1 1 134 134 VAL CA C 152 60.163 60.163 61.141 -0.979 18167 760 1 . 1 1 134 134 VAL CB C 152 35.920 35.920 34.041 1.879 18167 761 1 . 1 1 134 134 VAL H H 152 9.558 9.558 9.224 0.334 18167 762 1 . 1 1 135 135 THR N N 153 118.998 118.998 123.204 -4.206 18167 763 1 . 1 1 135 135 THR HA H 153 4.723 4.723 4.886 -0.163 18167 764 1 . 1 1 135 135 THR C C 153 171.746 171.746 173.389 -1.643 18167 765 1 . 1 1 135 135 THR CA C 153 61.221 61.221 61.195 0.027 18167 766 1 . 1 1 135 135 THR CB C 153 69.300 69.300 72.482 -3.182 18167 767 1 . 1 1 135 135 THR H H 153 8.960 8.960 9.126 -0.166 18167 768 1 . 1 1 136 136 THR N N 154 109.883 109.883 116.632 -6.749 18167 769 1 . 1 1 136 136 THR HA H 154 5.636 5.636 5.301 0.335 18167 770 1 . 1 1 136 136 THR C C 154 173.904 173.904 173.914 -0.010 18167 771 1 . 1 1 136 136 THR CA C 154 58.391 58.391 59.655 -1.264 18167 772 1 . 1 1 136 136 THR CB C 154 71.387 71.387 70.417 0.970 18167 773 1 . 1 1 136 136 THR H H 154 7.940 7.940 8.422 -0.482 18167 774 1 . 1 1 137 137 ASN N N 155 115.138 115.138 120.860 -5.722 18167 775 1 . 1 1 137 137 ASN HA H 155 4.906 4.906 4.770 0.136 18167 776 1 . 1 1 137 137 ASN C C 155 174.994 174.994 174.976 0.018 18167 777 1 . 1 1 137 137 ASN CA C 155 54.345 54.345 53.213 1.132 18167 778 1 . 1 1 137 137 ASN CB C 155 41.807 41.807 40.305 1.502 18167 779 1 . 1 1 137 137 ASN H H 155 8.938 8.938 8.544 0.394 18167 780 1 . 1 1 138 138 ARG N N 156 125.040 125.040 125.592 -0.552 18167 781 1 . 1 1 138 138 ARG HA H 156 3.957 3.957 3.996 -0.039 18167 782 1 . 1 1 138 138 ARG C C 156 175.870 175.870 175.954 -0.084 18167 783 1 . 1 1 138 138 ARG CA C 156 57.124 57.124 57.045 0.079 18167 784 1 . 1 1 138 138 ARG CB C 156 27.659 27.659 28.539 -0.880 18167 785 1 . 1 1 138 138 ARG H H 156 9.364 9.364 8.937 0.427 18167 786 1 . 1 1 139 139 GLY N N 157 104.408 104.408 102.381 2.027 18167 787 1 . 1 1 139 139 GLY C C 157 173.563 173.563 173.870 -0.307 18167 788 1 . 1 1 139 139 GLY CA C 157 45.821 45.821 45.060 0.761 18167 789 1 . 1 1 139 139 GLY H H 157 8.862 8.862 8.454 0.408 18167 790 1 . 1 1 140 140 LYS N N 158 117.999 117.999 120.856 -2.857 18167 791 1 . 1 1 140 140 LYS HA H 158 4.960 4.960 4.652 0.309 18167 792 1 . 1 1 140 140 LYS C C 158 174.527 174.527 175.150 -0.623 18167 793 1 . 1 1 140 140 LYS CA C 158 53.722 53.722 54.829 -1.107 18167 794 1 . 1 1 140 140 LYS CB C 158 34.864 34.864 33.857 1.007 18167 795 1 . 1 1 140 140 LYS H H 158 7.718 7.718 7.716 0.002 18167 796 1 . 1 1 141 141 LEU N N 159 124.332 124.332 126.807 -2.475 18167 797 1 . 1 1 141 141 LEU HA H 159 4.630 4.630 4.497 0.133 18167 798 1 . 1 1 141 141 LEU C C 159 175.337 175.337 175.127 0.210 18167 799 1 . 1 1 141 141 LEU CA C 159 54.238 54.238 54.285 -0.047 18167 800 1 . 1 1 141 141 LEU CB C 159 43.872 43.872 43.322 0.550 18167 801 1 . 1 1 141 141 LEU H H 159 9.006 9.006 9.123 -0.117 18167 802 1 . 1 1 142 142 ILE N N 160 128.619 128.619 127.445 1.174 18167 803 1 . 1 1 142 142 ILE HA H 160 4.729 4.729 4.568 0.161 18167 804 1 . 1 1 142 142 ILE C C 160 173.414 173.414 174.757 -1.343 18167 805 1 . 1 1 142 142 ILE CA C 160 61.233 61.233 60.052 1.181 18167 806 1 . 1 1 142 142 ILE CB C 160 40.184 40.184 40.296 -0.112 18167 807 1 . 1 1 142 142 ILE H H 160 9.129 9.129 9.096 0.033 18167 808 1 . 1 1 143 143 THR N N 161 122.266 122.266 123.074 -0.808 18167 809 1 . 1 1 143 143 THR HA H 161 4.797 4.797 5.291 -0.494 18167 810 1 . 1 1 143 143 THR C C 161 171.903 171.903 173.255 -1.352 18167 811 1 . 1 1 143 143 THR CA C 161 61.666 61.666 61.003 0.663 18167 812 1 . 1 1 143 143 THR CB C 161 70.025 70.025 71.344 -1.319 18167 813 1 . 1 1 143 143 THR H H 161 8.818 8.818 8.398 0.420 18167 814 1 . 1 1 144 144 PHE N N 162 130.742 130.742 126.789 3.953 18167 815 1 . 1 1 144 144 PHE HA H 162 4.790 4.790 4.717 0.073 18167 816 1 . 1 1 144 144 PHE C C 162 173.404 173.404 173.533 -0.129 18167 817 1 . 1 1 144 144 PHE CA C 162 55.220 55.220 56.339 -1.119 18167 818 1 . 1 1 144 144 PHE CB C 162 39.740 39.740 41.221 -1.481 18167 819 1 . 1 1 144 144 PHE H H 162 9.219 9.219 8.914 0.305 18167 820 1 . 1 1 145 145 ASP N N 163 127.154 127.154 127.765 -0.611 18167 821 1 . 1 1 145 145 ASP HA H 163 4.956 4.956 5.317 -0.361 18167 822 1 . 1 1 145 145 ASP C C 163 174.933 174.933 174.715 0.218 18167 823 1 . 1 1 145 145 ASP CA C 163 53.410 53.410 53.056 0.354 18167 824 1 . 1 1 145 145 ASP CB C 163 43.324 43.324 42.934 0.389 18167 825 1 . 1 1 145 145 ASP H H 163 8.862 8.862 8.414 0.448 18167 826 1 . 1 1 146 146 LEU N N 164 131.658 131.658 127.064 4.594 18167 827 1 . 1 1 146 146 LEU HA H 164 4.595 4.595 4.805 -0.210 18167 828 1 . 1 1 146 146 LEU C C 164 174.511 174.511 175.529 -1.018 18167 829 1 . 1 1 146 146 LEU CA C 164 53.971 53.971 54.246 -0.275 18167 830 1 . 1 1 146 146 LEU CB C 164 43.097 43.097 45.195 -2.098 18167 831 1 . 1 1 146 146 LEU H H 164 8.938 8.938 8.806 0.132 18167 832 1 . 1 1 147 147 SER N N 165 114.966 114.966 117.798 -2.832 18167 833 1 . 1 1 147 147 SER HA H 165 5.186 5.186 5.192 -0.006 18167 834 1 . 1 1 147 147 SER C C 165 173.417 173.417 173.433 -0.016 18167 835 1 . 1 1 147 147 SER CA C 165 56.600 56.600 57.365 -0.765 18167 836 1 . 1 1 147 147 SER CB C 165 67.205 67.205 65.761 1.444 18167 837 1 . 1 1 147 147 SER H H 165 8.995 8.995 8.795 0.200 18167 838 1 . 1 1 148 148 THR N N 166 118.620 118.620 120.052 -1.432 18167 839 1 . 1 1 148 148 THR HA H 166 5.144 5.144 4.738 0.406 18167 840 1 . 1 1 148 148 THR C C 166 173.151 173.151 172.914 0.237 18167 841 1 . 1 1 148 148 THR CA C 166 60.362 60.362 61.677 -1.315 18167 842 1 . 1 1 148 148 THR CB C 166 69.214 69.214 73.005 -3.792 18167 843 1 . 1 1 148 148 THR H H 166 8.614 8.614 8.033 0.581 18167 844 1 . 1 1 149 149 ALA N N 167 124.595 124.595 124.782 -0.187 18167 845 1 . 1 1 149 149 ALA HA H 167 4.605 4.605 4.287 0.318 18167 846 1 . 1 1 149 149 ALA C C 167 179.460 179.460 178.450 1.010 18167 847 1 . 1 1 149 149 ALA CA C 167 51.556 51.556 52.697 -1.141 18167 848 1 . 1 1 149 149 ALA CB C 167 20.258 20.258 19.574 0.683 18167 849 1 . 1 1 149 149 ALA H H 167 8.107 8.107 8.686 -0.579 18167 850 1 . 1 1 150 150 GLU N N 168 123.906 123.906 122.402 1.504 18167 851 1 . 1 1 150 150 GLU HA H 168 4.498 4.498 3.932 0.566 18167 852 1 . 1 1 150 150 GLU C C 168 178.587 178.587 177.754 0.833 18167 853 1 . 1 1 150 150 GLU CA C 168 58.946 58.946 59.226 -0.280 18167 854 1 . 1 1 150 150 GLU CB C 168 28.707 28.707 29.329 -0.621 18167 855 1 . 1 1 150 150 GLU H H 168 8.471 8.471 9.011 -0.540 18167 856 1 . 1 1 151 151 ASP N N 169 114.005 114.005 119.411 -5.406 18167 857 1 . 1 1 151 151 ASP HA H 169 4.483 4.483 4.456 0.027 18167 858 1 . 1 1 151 151 ASP C C 169 177.260 177.260 177.616 -0.356 18167 859 1 . 1 1 151 151 ASP CA C 169 55.918 55.918 56.546 -0.628 18167 860 1 . 1 1 151 151 ASP CB C 169 40.085 40.085 40.372 -0.287 18167 861 1 . 1 1 151 151 ASP H H 169 8.575 8.575 8.747 -0.172 18167 862 1 . 1 1 152 152 ARG N N 170 118.283 118.283 117.672 0.611 18167 863 1 . 1 1 152 152 ARG HA H 170 4.331 4.331 4.552 -0.221 18167 864 1 . 1 1 152 152 ARG C C 170 177.094 177.094 177.494 -0.400 18167 865 1 . 1 1 152 152 ARG CA C 170 55.836 55.836 56.150 -0.314 18167 866 1 . 1 1 152 152 ARG CB C 170 31.984 31.984 31.034 0.950 18167 867 1 . 1 1 152 152 ARG H H 170 7.663 7.663 7.760 -0.097 18167 868 1 . 1 1 153 153 TRP N N 171 122.336 122.336 123.268 -0.932 18167 869 1 . 1 1 153 153 TRP HA H 171 3.910 3.910 4.514 -0.604 18167 870 1 . 1 1 153 153 TRP C C 171 175.820 175.820 176.439 -0.619 18167 871 1 . 1 1 153 153 TRP CA C 171 60.876 60.876 61.624 -0.748 18167 872 1 . 1 1 153 153 TRP CB C 171 29.408 29.408 29.344 0.064 18167 873 1 . 1 1 153 153 TRP H H 171 7.689 7.689 8.077 -0.388 18167 874 1 . 1 1 154 154 ASP N N 172 114.179 114.179 116.855 -2.676 18167 875 1 . 1 1 154 154 ASP HA H 172 4.017 4.017 4.511 -0.494 18167 876 1 . 1 1 154 154 ASP C C 172 178.442 178.442 179.123 -0.681 18167 877 1 . 1 1 154 154 ASP CA C 172 57.503 57.503 57.149 0.354 18167 878 1 . 1 1 154 154 ASP CB C 172 40.164 40.164 40.815 -0.651 18167 879 1 . 1 1 154 154 ASP H H 172 8.690 8.690 8.297 0.393 18167 880 1 . 1 1 155 155 THR N N 173 114.661 114.661 116.008 -1.347 18167 881 1 . 1 1 155 155 THR HA H 173 3.990 3.990 4.125 -0.135 18167 882 1 . 1 1 155 155 THR C C 173 175.985 175.985 175.872 0.113 18167 883 1 . 1 1 155 155 THR CA C 173 65.585 65.585 65.546 0.039 18167 884 1 . 1 1 155 155 THR CB C 173 69.076 69.076 69.178 -0.102 18167 885 1 . 1 1 155 155 THR H H 173 7.635 7.635 7.730 -0.095 18167 886 1 . 1 1 156 156 VAL N N 174 113.687 113.687 113.760 -0.073 18167 887 1 . 1 1 156 156 VAL HA H 174 4.277 4.277 4.315 -0.038 18167 888 1 . 1 1 156 156 VAL C C 174 176.185 176.185 175.079 1.106 18167 889 1 . 1 1 156 156 VAL CA C 174 61.444 61.444 60.093 1.351 18167 890 1 . 1 1 156 156 VAL CB C 174 33.153 33.153 30.480 2.673 18167 891 1 . 1 1 156 156 VAL H H 174 7.447 7.447 7.879 -0.432 18167 892 1 . 1 1 157 157 LYS N N 175 123.084 123.084 120.573 2.511 18167 893 1 . 1 1 157 157 LYS HA H 175 2.844 2.844 3.579 -0.734 18167 894 1 . 1 1 157 157 LYS C C 175 177.321 177.321 177.983 -0.662 18167 895 1 . 1 1 157 157 LYS CA C 175 60.219 60.219 59.637 0.582 18167 896 1 . 1 1 157 157 LYS CB C 175 30.195 30.195 31.607 -1.412 18167 897 1 . 1 1 157 157 LYS H H 175 7.548 7.548 7.113 0.435 18167 898 1 . 1 1 158 158 SER N N 176 114.046 114.046 114.970 -0.924 18167 899 1 . 1 1 158 158 SER HA H 176 3.820 3.820 4.192 -0.372 18167 900 1 . 1 1 158 158 SER C C 176 176.927 176.927 176.174 0.753 18167 901 1 . 1 1 158 158 SER CA C 176 61.600 61.600 60.339 1.261 18167 902 1 . 1 1 158 158 SER CB C 176 62.048 62.048 62.552 -0.504 18167 903 1 . 1 1 158 158 SER H H 176 8.161 8.161 8.079 0.082 18167 904 1 . 1 1 159 159 LEU N N 177 126.125 126.125 123.036 3.089 18167 905 1 . 1 1 159 159 LEU HA H 177 4.173 4.173 3.781 0.392 18167 906 1 . 1 1 159 159 LEU C C 177 178.403 178.403 177.864 0.539 18167 907 1 . 1 1 159 159 LEU CA C 177 57.702 57.702 57.767 -0.065 18167 908 1 . 1 1 159 159 LEU CB C 177 41.076 41.076 41.266 -0.190 18167 909 1 . 1 1 159 159 LEU H H 177 7.587 7.587 7.059 0.528 18167 910 1 . 1 1 160 160 PHE N N 178 119.582 119.582 117.259 2.323 18167 911 1 . 1 1 160 160 PHE HA H 178 4.282 4.282 3.964 0.318 18167 912 1 . 1 1 160 160 PHE C C 178 177.277 177.277 177.800 -0.523 18167 913 1 . 1 1 160 160 PHE CA C 178 58.710 58.710 61.559 -2.849 18167 914 1 . 1 1 160 160 PHE CB C 178 35.540 35.540 37.504 -1.964 18167 915 1 . 1 1 160 160 PHE H H 178 9.067 9.067 6.729 2.338 18167 916 1 . 1 1 161 161 ASP N N 179 120.599 120.599 119.441 1.158 18167 917 1 . 1 1 161 161 ASP HA H 179 4.340 4.340 4.434 -0.094 18167 918 1 . 1 1 161 161 ASP C C 179 179.216 179.216 178.858 0.358 18167 919 1 . 1 1 161 161 ASP CA C 179 57.902 57.902 57.388 0.514 18167 920 1 . 1 1 161 161 ASP CB C 179 40.957 40.957 40.367 0.590 18167 921 1 . 1 1 161 161 ASP H H 179 8.578 8.578 7.680 0.898 18167 922 1 . 1 1 162 162 THR N N 180 118.300 118.300 117.573 0.727 18167 923 1 . 1 1 162 162 THR HA H 180 3.849 3.849 4.031 -0.182 18167 924 1 . 1 1 162 162 THR C C 180 176.875 176.875 176.810 0.065 18167 925 1 . 1 1 162 162 THR CA C 180 66.977 66.977 66.811 0.166 18167 926 1 . 1 1 162 162 THR CB C 180 68.886 68.886 68.824 0.062 18167 927 1 . 1 1 162 162 THR H H 180 7.771 7.771 8.408 -0.637 18167 928 1 . 1 1 163 163 VAL N N 181 123.234 123.234 121.665 1.569 18167 929 1 . 1 1 163 163 VAL HA H 181 3.594 3.594 3.648 -0.054 18167 930 1 . 1 1 163 163 VAL C C 181 180.016 180.016 177.583 2.433 18167 931 1 . 1 1 163 163 VAL CA C 181 66.756 66.756 66.470 0.286 18167 932 1 . 1 1 163 163 VAL CB C 181 31.712 31.712 31.258 0.454 18167 933 1 . 1 1 163 163 VAL H H 181 8.831 8.831 8.366 0.465 18167 934 1 . 1 1 164 164 ALA N N 182 124.654 124.654 121.322 3.332 18167 935 1 . 1 1 164 164 ALA HA H 182 4.262 4.262 3.732 0.530 18167 936 1 . 1 1 164 164 ALA C C 182 180.510 180.510 179.214 1.296 18167 937 1 . 1 1 164 164 ALA CA C 182 56.459 56.459 54.854 1.605 18167 938 1 . 1 1 164 164 ALA CB C 182 17.563 17.563 18.320 -0.757 18167 939 1 . 1 1 164 164 ALA H H 182 9.662 9.662 8.135 1.527 18167 940 1 . 1 1 165 165 SER N N 183 112.325 112.325 112.542 -0.217 18167 941 1 . 1 1 165 165 SER HA H 183 4.173 4.173 4.413 -0.240 18167 942 1 . 1 1 165 165 SER C C 183 173.817 173.817 176.161 -2.344 18167 943 1 . 1 1 165 165 SER CA C 183 61.155 61.155 60.261 0.894 18167 944 1 . 1 1 165 165 SER CB C 183 63.140 63.140 63.575 -0.435 18167 945 1 . 1 1 165 165 SER H H 183 7.988 7.988 8.054 -0.066 18167 946 1 . 1 1 166 166 SER N N 184 117.332 117.332 116.703 0.629 18167 947 1 . 1 1 166 166 SER HA H 184 4.356 4.356 4.407 -0.051 18167 948 1 . 1 1 166 166 SER C C 184 174.163 174.163 175.716 -1.553 18167 949 1 . 1 1 166 166 SER CA C 184 59.502 59.502 60.034 -0.532 18167 950 1 . 1 1 166 166 SER CB C 184 63.416 63.416 63.559 -0.143 18167 951 1 . 1 1 166 166 SER H H 184 7.766 7.766 8.054 -0.288 18167 952 1 . 1 1 167 167 PHE N N 185 124.827 124.827 121.650 3.177 18167 953 1 . 1 1 167 167 PHE HA H 185 5.163 5.163 4.774 0.389 18167 954 1 . 1 1 167 167 PHE C C 185 174.545 174.545 175.015 -0.470 18167 955 1 . 1 1 167 167 PHE CA C 185 57.502 57.502 58.031 -0.529 18167 956 1 . 1 1 167 167 PHE CB C 185 38.390 38.390 39.378 -0.988 18167 957 1 . 1 1 167 167 PHE H H 185 7.101 7.101 7.670 -0.569 18167 958 1 . 1 1 168 168 HIS N N 186 127.050 127.050 120.875 6.175 18167 959 1 . 1 1 168 168 HIS HA H 186 5.153 5.153 4.544 0.609 18167 960 1 . 1 1 168 168 HIS C C 186 172.836 172.836 173.273 -0.437 18167 961 1 . 1 1 168 168 HIS CA C 186 54.156 54.156 54.868 -0.712 18167 962 1 . 1 1 168 168 HIS CB C 186 32.003 32.003 34.036 -2.032 18167 963 1 . 1 1 168 168 HIS H H 186 8.645 8.645 8.745 -0.100 18167 964 1 . 1 1 169 169 VAL N N 187 114.268 114.268 118.373 -4.105 18167 965 1 . 1 1 169 169 VAL HA H 187 5.160 5.160 5.216 -0.056 18167 966 1 . 1 1 169 169 VAL C C 187 174.449 174.449 174.226 0.223 18167 967 1 . 1 1 169 169 VAL CA C 187 58.353 58.353 59.019 -0.666 18167 968 1 . 1 1 169 169 VAL CB C 187 33.409 33.409 34.848 -1.439 18167 969 1 . 1 1 169 169 VAL H H 187 7.466 7.466 7.493 -0.026 18167 stop_ save_