data_19766 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19766 _Entry.PDB_ID 2MKC 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 19766 _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 ALA HA H 2 4.340 4.340 4.697 -0.357 19766 2 1 1 . 1 1 2 2 ALA C C 2 177.830 177.830 175.814 2.016 19766 3 1 1 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.216 1.477 19766 4 1 1 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.525 -0.166 19766 5 1 1 . 1 1 3 3 MET N N 3 119.580 119.580 118.265 1.315 19766 6 1 1 . 1 1 3 3 MET HA H 3 4.482 4.482 4.994 -0.512 19766 7 1 1 . 1 1 3 3 MET C C 3 176.714 176.714 176.705 0.009 19766 8 1 1 . 1 1 3 3 MET CA C 3 55.590 55.590 53.313 2.277 19766 9 1 1 . 1 1 3 3 MET CB C 3 32.922 32.922 32.525 0.397 19766 10 1 1 . 1 1 3 3 MET H H 3 8.451 8.451 7.714 0.737 19766 11 1 1 . 1 1 4 4 GLY N N 4 109.951 109.951 111.799 -1.848 19766 12 1 1 . 1 1 4 4 GLY C C 4 174.082 174.082 174.149 -0.067 19766 13 1 1 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.607 0.859 19766 14 1 1 . 1 1 4 4 GLY H H 4 8.400 8.400 8.970 -0.570 19766 15 1 1 . 1 1 5 5 ASN N N 5 118.667 118.667 119.082 -0.415 19766 16 1 1 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.506 0.178 19766 17 1 1 . 1 1 5 5 ASN C C 5 175.489 175.489 175.714 -0.225 19766 18 1 1 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.390 -0.889 19766 19 1 1 . 1 1 5 5 ASN CB C 5 38.966 38.966 37.855 1.111 19766 20 1 1 . 1 1 5 5 ASN H H 5 8.378 8.378 8.156 0.222 19766 21 1 1 . 1 1 6 6 GLU N N 6 120.908 120.908 117.326 3.582 19766 22 1 1 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.078 0.088 19766 23 1 1 . 1 1 6 6 GLU C C 6 176.336 176.336 175.286 1.050 19766 24 1 1 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.864 -0.595 19766 25 1 1 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.556 0.180 19766 26 1 1 . 1 1 6 6 GLU H H 6 8.620 8.620 8.224 0.396 19766 27 1 1 . 1 1 7 7 TYR N N 7 120.339 120.339 116.874 3.465 19766 28 1 1 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.594 -0.094 19766 29 1 1 . 1 1 7 7 TYR C C 7 175.808 175.808 174.169 1.639 19766 30 1 1 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.931 1.220 19766 31 1 1 . 1 1 7 7 TYR CB C 7 38.194 38.194 41.507 -3.313 19766 32 1 1 . 1 1 7 7 TYR H H 7 8.045 8.045 7.405 0.640 19766 33 1 1 . 1 1 8 8 LYS N N 8 121.700 121.700 119.906 1.794 19766 34 1 1 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.448 -0.298 19766 35 1 1 . 1 1 8 8 LYS C C 8 175.868 175.868 175.091 0.777 19766 36 1 1 . 1 1 8 8 LYS CA C 8 56.562 56.562 55.799 0.763 19766 37 1 1 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.387 0.771 19766 38 1 1 . 1 1 8 8 LYS H H 8 7.829 7.829 8.608 -0.779 19766 39 1 1 . 1 1 9 9 ASP N N 9 119.811 119.811 119.544 0.267 19766 40 1 1 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.783 -0.145 19766 41 1 1 . 1 1 9 9 ASP C C 9 175.972 175.972 175.695 0.277 19766 42 1 1 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.045 0.579 19766 43 1 1 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.327 1.212 19766 44 1 1 . 1 1 9 9 ASP H H 9 8.137 8.137 8.265 -0.128 19766 45 1 1 . 1 1 10 10 ASN N N 10 119.794 119.794 120.579 -0.785 19766 46 1 1 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.105 -0.133 19766 47 1 1 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.429 0.416 19766 48 1 1 . 1 1 10 10 ASN CB C 10 38.759 38.759 36.688 2.071 19766 49 1 1 . 1 1 10 10 ASN H H 10 8.292 8.292 7.874 0.418 19766 50 1 1 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.394 0.209 19766 51 1 1 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.565 -0.316 19766 52 1 1 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.561 -0.373 19766 53 1 1 . 1 1 12 12 TYR N N 12 118.889 118.889 118.719 0.170 19766 54 1 1 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.132 0.012 19766 55 1 1 . 1 1 12 12 TYR C C 12 177.773 177.773 176.113 1.660 19766 56 1 1 . 1 1 12 12 TYR CA C 12 57.183 57.183 59.262 -2.079 19766 57 1 1 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.080 3.502 19766 58 1 1 . 1 1 12 12 TYR H H 12 8.057 8.057 7.986 0.071 19766 59 1 1 . 1 1 13 13 ILE N N 13 112.765 112.765 118.138 -5.373 19766 60 1 1 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.076 0.078 19766 61 1 1 . 1 1 13 13 ILE C C 13 174.312 174.312 174.689 -0.377 19766 62 1 1 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.005 1.030 19766 63 1 1 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.599 -1.703 19766 64 1 1 . 1 1 13 13 ILE H H 13 9.310 9.310 9.259 0.051 19766 65 1 1 . 1 1 14 14 TYR N N 14 124.417 124.417 127.377 -2.960 19766 66 1 1 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.921 -0.214 19766 67 1 1 . 1 1 14 14 TYR C C 14 173.058 173.058 173.813 -0.755 19766 68 1 1 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.673 -1.461 19766 69 1 1 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.485 0.734 19766 70 1 1 . 1 1 14 14 TYR H H 14 9.252 9.252 9.184 0.068 19766 71 1 1 . 1 1 15 15 ILE N N 15 127.660 127.660 128.717 -1.057 19766 72 1 1 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.059 -0.794 19766 73 1 1 . 1 1 15 15 ILE C C 15 173.705 173.705 174.754 -1.049 19766 74 1 1 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.557 -0.071 19766 75 1 1 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.457 1.545 19766 76 1 1 . 1 1 15 15 ILE H H 15 8.558 8.558 8.602 -0.044 19766 77 1 1 . 1 1 16 16 GLY N N 16 112.792 112.792 111.975 0.817 19766 78 1 1 . 1 1 16 16 GLY C C 16 173.110 173.110 173.119 -0.009 19766 79 1 1 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.573 0.676 19766 80 1 1 . 1 1 16 16 GLY H H 16 9.516 9.516 8.574 0.942 19766 81 1 1 . 1 1 17 17 ASN N N 17 115.139 115.139 116.569 -1.430 19766 82 1 1 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.119 0.277 19766 83 1 1 . 1 1 17 17 ASN C C 17 174.854 174.854 174.456 0.398 19766 84 1 1 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.759 -0.523 19766 85 1 1 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.921 0.012 19766 86 1 1 . 1 1 17 17 ASN H H 17 8.511 8.511 8.017 0.494 19766 87 1 1 . 1 1 18 18 LEU N N 18 114.660 114.660 117.995 -3.335 19766 88 1 1 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.293 -0.257 19766 89 1 1 . 1 1 18 18 LEU C C 18 178.161 178.161 175.955 2.206 19766 90 1 1 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.546 -0.662 19766 91 1 1 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.228 -0.666 19766 92 1 1 . 1 1 18 18 LEU H H 18 7.839 7.839 7.408 0.431 19766 93 1 1 . 1 1 19 19 ASN N N 19 122.707 122.707 118.175 4.532 19766 94 1 1 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.699 -0.336 19766 95 1 1 . 1 1 19 19 ASN C C 19 178.037 178.037 176.342 1.695 19766 96 1 1 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.823 1.781 19766 97 1 1 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.872 -1.060 19766 98 1 1 . 1 1 19 19 ASN H H 19 8.779 8.779 8.251 0.528 19766 99 1 1 . 1 1 20 20 ARG N N 20 128.724 128.724 121.922 6.802 19766 100 1 1 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.083 -0.230 19766 101 1 1 . 1 1 20 20 ARG C C 20 175.612 175.612 176.635 -1.023 19766 102 1 1 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.610 0.164 19766 103 1 1 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.150 -0.466 19766 104 1 1 . 1 1 20 20 ARG H H 20 8.954 8.954 8.694 0.260 19766 105 1 1 . 1 1 21 21 GLU N N 21 117.609 117.609 115.024 2.585 19766 106 1 1 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.187 0.086 19766 107 1 1 . 1 1 21 21 GLU C C 21 177.285 177.285 176.070 1.215 19766 108 1 1 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.293 0.489 19766 109 1 1 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.807 1.691 19766 110 1 1 . 1 1 21 21 GLU H H 21 9.092 9.092 8.317 0.775 19766 111 1 1 . 1 1 22 22 LEU N N 22 116.169 116.169 123.268 -7.099 19766 112 1 1 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.465 0.091 19766 113 1 1 . 1 1 22 22 LEU C C 22 178.328 178.328 176.281 2.047 19766 114 1 1 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.602 1.054 19766 115 1 1 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.634 0.592 19766 116 1 1 . 1 1 22 22 LEU H H 22 7.208 7.208 7.303 -0.095 19766 117 1 1 . 1 1 23 23 THR N N 23 113.733 113.733 118.734 -5.001 19766 118 1 1 . 1 1 23 23 THR HA H 23 4.349 4.349 4.701 -0.352 19766 119 1 1 . 1 1 23 23 THR C C 23 175.225 175.225 175.450 -0.225 19766 120 1 1 . 1 1 23 23 THR CA C 23 59.960 59.960 59.662 0.298 19766 121 1 1 . 1 1 23 23 THR CB C 23 72.172 72.172 71.019 1.153 19766 122 1 1 . 1 1 23 23 THR H H 23 8.732 8.732 8.393 0.339 19766 123 1 1 . 1 1 24 24 GLU N N 24 119.838 119.838 122.231 -2.393 19766 124 1 1 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.076 -0.419 19766 125 1 1 . 1 1 24 24 GLU C C 24 178.983 178.983 178.507 0.476 19766 126 1 1 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.738 2.833 19766 127 1 1 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.394 -2.048 19766 128 1 1 . 1 1 24 24 GLU H H 24 9.761 9.761 8.917 0.844 19766 129 1 1 . 1 1 25 25 GLY N N 25 104.462 104.462 105.851 -1.389 19766 130 1 1 . 1 1 25 25 GLY C C 25 175.139 175.139 175.543 -0.404 19766 131 1 1 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.731 0.874 19766 132 1 1 . 1 1 25 25 GLY H H 25 8.486 8.486 7.958 0.528 19766 133 1 1 . 1 1 26 26 ASP N N 26 123.296 123.296 123.254 0.042 19766 134 1 1 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.496 0.074 19766 135 1 1 . 1 1 26 26 ASP C C 26 178.135 178.135 178.210 -0.075 19766 136 1 1 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.910 0.902 19766 137 1 1 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.089 0.796 19766 138 1 1 . 1 1 26 26 ASP H H 26 7.960 7.960 7.633 0.327 19766 139 1 1 . 1 1 27 27 ILE N N 27 118.853 118.853 120.929 -2.076 19766 140 1 1 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.776 -0.169 19766 141 1 1 . 1 1 27 27 ILE C C 27 178.424 178.424 178.306 0.118 19766 142 1 1 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.146 0.595 19766 143 1 1 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.929 -0.217 19766 144 1 1 . 1 1 27 27 ILE H H 27 8.159 8.159 7.817 0.342 19766 145 1 1 . 1 1 28 28 LEU N N 28 118.549 118.549 119.558 -1.009 19766 146 1 1 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.943 -0.039 19766 147 1 1 . 1 1 28 28 LEU C C 28 180.057 180.057 179.282 0.775 19766 148 1 1 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.435 0.096 19766 149 1 1 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.201 0.744 19766 150 1 1 . 1 1 28 28 LEU H H 28 8.414 8.414 8.590 -0.176 19766 151 1 1 . 1 1 29 29 THR N N 29 122.156 122.156 114.730 7.426 19766 152 1 1 . 1 1 29 29 THR HA H 29 4.032 4.032 4.101 -0.069 19766 153 1 1 . 1 1 29 29 THR C C 29 175.113 175.113 176.218 -1.105 19766 154 1 1 . 1 1 29 29 THR CA C 29 66.754 66.754 66.147 0.607 19766 155 1 1 . 1 1 29 29 THR CB C 29 68.490 68.490 68.820 -0.331 19766 156 1 1 . 1 1 29 29 THR H H 29 8.715 8.715 7.822 0.893 19766 157 1 1 . 1 1 30 30 VAL N N 30 116.487 116.487 116.127 0.360 19766 158 1 1 . 1 1 30 30 VAL HA H 30 3.831 3.831 4.001 -0.170 19766 159 1 1 . 1 1 30 30 VAL C C 30 179.968 179.968 177.827 2.141 19766 160 1 1 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.445 1.070 19766 161 1 1 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.259 1.785 19766 162 1 1 . 1 1 30 30 VAL H H 30 7.713 7.713 7.813 -0.100 19766 163 1 1 . 1 1 31 31 PHE N N 31 113.658 113.658 120.148 -6.490 19766 164 1 1 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.727 -0.860 19766 165 1 1 . 1 1 31 31 PHE C C 31 179.577 179.577 178.421 1.156 19766 166 1 1 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.902 1.501 19766 167 1 1 . 1 1 31 31 PHE CB C 31 37.313 37.313 39.311 -1.998 19766 168 1 1 . 1 1 31 31 PHE H H 31 8.876 8.876 8.820 0.056 19766 169 1 1 . 1 1 32 32 SER N N 32 118.635 118.635 115.494 3.141 19766 170 1 1 . 1 1 32 32 SER HA H 32 5.381 5.381 4.695 0.686 19766 171 1 1 . 1 1 32 32 SER C C 32 172.662 172.662 176.806 -4.144 19766 172 1 1 . 1 1 32 32 SER CA C 32 61.338 61.338 61.092 0.246 19766 173 1 1 . 1 1 32 32 SER CB C 32 63.875 63.875 62.562 1.312 19766 174 1 1 . 1 1 32 32 SER H H 32 8.106 8.106 8.598 -0.492 19766 175 1 1 . 1 1 33 33 GLU N N 33 121.234 121.234 122.967 -1.733 19766 176 1 1 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.127 -1.970 19766 177 1 1 . 1 1 33 33 GLU C C 33 174.223 174.223 177.170 -2.947 19766 178 1 1 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.268 1.372 19766 179 1 1 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.607 -1.776 19766 180 1 1 . 1 1 33 33 GLU H H 33 6.964 6.964 7.808 -0.844 19766 181 1 1 . 1 1 34 34 TYR N N 34 107.930 107.930 117.241 -9.311 19766 182 1 1 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.575 -0.422 19766 183 1 1 . 1 1 34 34 TYR C C 34 173.208 173.208 174.932 -1.724 19766 184 1 1 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.616 -0.287 19766 185 1 1 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.185 -0.307 19766 186 1 1 . 1 1 34 34 TYR H H 34 6.229 6.229 7.770 -1.541 19766 187 1 1 . 1 1 35 35 GLY N N 35 103.542 103.542 104.510 -0.968 19766 188 1 1 . 1 1 35 35 GLY C C 35 170.379 170.379 172.199 -1.820 19766 189 1 1 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.771 -0.092 19766 190 1 1 . 1 1 35 35 GLY H H 35 7.257 7.257 7.470 -0.213 19766 191 1 1 . 1 1 36 36 VAL N N 36 120.446 120.446 120.400 0.046 19766 192 1 1 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.584 -0.080 19766 193 1 1 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.027 0.688 19766 194 1 1 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.192 0.839 19766 195 1 1 . 1 1 36 36 VAL H H 36 8.438 8.438 8.507 -0.069 19766 196 1 1 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.480 0.223 19766 197 1 1 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.469 -0.095 19766 198 1 1 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.434 0.637 19766 199 1 1 . 1 1 38 38 VAL N N 38 113.929 113.929 117.833 -3.904 19766 200 1 1 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.223 0.259 19766 201 1 1 . 1 1 38 38 VAL CA C 38 60.454 60.454 61.963 -1.509 19766 202 1 1 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.744 -0.240 19766 203 1 1 . 1 1 38 38 VAL H H 38 8.966 8.966 8.547 0.419 19766 204 1 1 . 1 1 39 39 ASP N N 39 118.213 118.213 119.072 -0.859 19766 205 1 1 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.896 -0.221 19766 206 1 1 . 1 1 39 39 ASP C C 39 174.637 174.637 173.480 1.157 19766 207 1 1 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.781 0.907 19766 208 1 1 . 1 1 39 39 ASP CB C 39 43.807 43.807 45.008 -1.200 19766 209 1 1 . 1 1 39 39 ASP H H 39 7.500 7.500 7.657 -0.157 19766 210 1 1 . 1 1 40 40 VAL N N 40 121.576 121.576 122.225 -0.649 19766 211 1 1 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.025 -0.034 19766 212 1 1 . 1 1 40 40 VAL C C 40 170.562 170.562 173.203 -2.641 19766 213 1 1 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.088 0.270 19766 214 1 1 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.697 -0.478 19766 215 1 1 . 1 1 40 40 VAL H H 40 7.657 7.657 8.598 -0.941 19766 216 1 1 . 1 1 41 41 ILE N N 41 125.384 125.384 122.484 2.900 19766 217 1 1 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.601 0.217 19766 218 1 1 . 1 1 41 41 ILE C C 41 175.425 175.425 172.756 2.669 19766 219 1 1 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.181 2.309 19766 220 1 1 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.260 1.296 19766 221 1 1 . 1 1 41 41 ILE H H 41 8.901 8.901 9.008 -0.107 19766 222 1 1 . 1 1 42 42 LEU N N 42 128.888 128.888 126.579 2.309 19766 223 1 1 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.764 -0.303 19766 224 1 1 . 1 1 42 42 LEU C C 42 174.934 174.934 175.371 -0.437 19766 225 1 1 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.117 0.260 19766 226 1 1 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.437 0.103 19766 227 1 1 . 1 1 42 42 LEU H H 42 8.344 8.344 9.062 -0.718 19766 228 1 1 . 1 1 43 43 SER N N 43 122.818 122.818 121.853 0.965 19766 229 1 1 . 1 1 43 43 SER HA H 43 3.876 3.876 4.451 -0.575 19766 230 1 1 . 1 1 43 43 SER C C 43 173.869 173.869 173.394 0.475 19766 231 1 1 . 1 1 43 43 SER CA C 43 59.688 59.688 58.347 1.341 19766 232 1 1 . 1 1 43 43 SER CB C 43 62.673 62.673 62.718 -0.045 19766 233 1 1 . 1 1 43 43 SER H H 43 8.362 8.362 8.724 -0.362 19766 234 1 1 . 1 1 44 44 ARG N N 44 128.045 128.045 125.502 2.543 19766 235 1 1 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.015 -0.186 19766 236 1 1 . 1 1 44 44 ARG C C 44 175.031 175.031 174.882 0.149 19766 237 1 1 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.546 0.516 19766 238 1 1 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.550 0.748 19766 239 1 1 . 1 1 44 44 ARG H H 44 8.079 8.079 7.680 0.399 19766 240 1 1 . 1 1 45 45 ASP N N 45 123.491 123.491 121.576 1.915 19766 241 1 1 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.437 -0.200 19766 242 1 1 . 1 1 45 45 ASP C C 45 177.487 177.487 177.020 0.467 19766 243 1 1 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.494 0.423 19766 244 1 1 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.925 0.686 19766 245 1 1 . 1 1 45 45 ASP H H 45 8.663 8.663 8.655 0.008 19766 246 1 1 . 1 1 46 46 GLU N N 46 125.446 125.446 125.340 0.106 19766 247 1 1 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.061 -0.154 19766 248 1 1 . 1 1 46 46 GLU C C 46 175.655 175.655 176.626 -0.971 19766 249 1 1 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.508 0.365 19766 250 1 1 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.867 -0.213 19766 251 1 1 . 1 1 46 46 GLU H H 46 9.007 9.007 8.673 0.334 19766 252 1 1 . 1 1 47 47 ASN N N 47 115.343 115.343 117.289 -1.946 19766 253 1 1 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.636 0.248 19766 254 1 1 . 1 1 47 47 ASN C C 47 176.665 176.665 177.188 -0.523 19766 255 1 1 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.919 0.020 19766 256 1 1 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.517 0.713 19766 257 1 1 . 1 1 47 47 ASN H H 47 8.947 8.947 8.560 0.386 19766 258 1 1 . 1 1 48 48 THR N N 48 107.604 107.604 113.361 -5.757 19766 259 1 1 . 1 1 48 48 THR HA H 48 4.468 4.468 4.396 0.072 19766 260 1 1 . 1 1 48 48 THR C C 48 176.465 176.465 175.537 0.928 19766 261 1 1 . 1 1 48 48 THR CA C 48 61.555 61.555 62.888 -1.333 19766 262 1 1 . 1 1 48 48 THR CB C 48 71.342 71.342 69.934 1.408 19766 263 1 1 . 1 1 48 48 THR H H 48 8.450 8.450 8.568 -0.118 19766 264 1 1 . 1 1 49 49 GLY N N 49 111.809 111.809 109.590 2.219 19766 265 1 1 . 1 1 49 49 GLY C C 49 173.193 173.193 172.723 0.470 19766 266 1 1 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.394 0.329 19766 267 1 1 . 1 1 49 49 GLY H H 49 8.632 8.632 7.837 0.795 19766 268 1 1 . 1 1 50 50 GLU N N 50 120.089 120.089 117.583 2.506 19766 269 1 1 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.491 -0.358 19766 270 1 1 . 1 1 50 50 GLU C C 50 176.586 176.586 176.384 0.202 19766 271 1 1 . 1 1 50 50 GLU CA C 50 56.532 56.532 53.788 2.744 19766 272 1 1 . 1 1 50 50 GLU CB C 50 31.084 31.084 31.113 -0.029 19766 273 1 1 . 1 1 50 50 GLU H H 50 7.825 7.825 7.920 -0.095 19766 274 1 1 . 1 1 51 51 SER N N 51 115.686 115.686 119.423 -3.737 19766 275 1 1 . 1 1 51 51 SER HA H 51 4.273 4.273 4.305 -0.032 19766 276 1 1 . 1 1 51 51 SER C C 51 176.516 176.516 175.161 1.355 19766 277 1 1 . 1 1 51 51 SER CA C 51 58.415 58.415 59.737 -1.322 19766 278 1 1 . 1 1 51 51 SER CB C 51 64.668 64.668 63.241 1.427 19766 279 1 1 . 1 1 51 51 SER H H 51 8.871 8.871 8.946 -0.075 19766 280 1 1 . 1 1 52 52 GLN N N 52 123.284 123.284 122.227 1.057 19766 281 1 1 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.378 0.113 19766 282 1 1 . 1 1 52 52 GLN C C 52 177.471 177.471 176.817 0.654 19766 283 1 1 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.090 -0.943 19766 284 1 1 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.598 0.282 19766 285 1 1 . 1 1 52 52 GLN H H 52 9.103 9.103 8.810 0.293 19766 286 1 1 . 1 1 53 53 GLY N N 53 105.865 105.865 107.449 -1.584 19766 287 1 1 . 1 1 53 53 GLY C C 53 172.010 172.010 172.719 -0.709 19766 288 1 1 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.104 1.541 19766 289 1 1 . 1 1 53 53 GLY H H 53 8.888 8.888 8.068 0.820 19766 290 1 1 . 1 1 54 54 PHE N N 54 112.097 112.097 118.700 -6.603 19766 291 1 1 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.371 -0.025 19766 292 1 1 . 1 1 54 54 PHE C C 54 171.548 171.548 173.353 -1.805 19766 293 1 1 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.964 -0.293 19766 294 1 1 . 1 1 54 54 PHE CB C 54 40.680 40.680 43.042 -2.362 19766 295 1 1 . 1 1 54 54 PHE H H 54 6.879 6.879 7.187 -0.308 19766 296 1 1 . 1 1 55 55 ALA N N 55 122.332 122.332 121.372 0.960 19766 297 1 1 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.866 0.257 19766 298 1 1 . 1 1 55 55 ALA C C 55 173.074 173.074 174.563 -1.489 19766 299 1 1 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.825 -1.296 19766 300 1 1 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.697 3.042 19766 301 1 1 . 1 1 55 55 ALA H H 55 9.051 9.051 8.827 0.224 19766 302 1 1 . 1 1 56 56 TYR N N 56 115.022 115.022 117.280 -2.258 19766 303 1 1 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.825 -0.151 19766 304 1 1 . 1 1 56 56 TYR C C 56 175.292 175.292 174.281 1.011 19766 305 1 1 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.475 -0.894 19766 306 1 1 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.182 0.165 19766 307 1 1 . 1 1 56 56 TYR H H 56 9.007 9.007 9.181 -0.174 19766 308 1 1 . 1 1 57 57 LEU N N 57 122.695 122.695 123.207 -0.512 19766 309 1 1 . 1 1 57 57 LEU HA H 57 4.759 4.759 4.973 -0.214 19766 310 1 1 . 1 1 57 57 LEU C C 57 172.173 172.173 174.264 -2.091 19766 311 1 1 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.561 1.255 19766 312 1 1 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.031 0.875 19766 313 1 1 . 1 1 57 57 LEU H H 57 8.648 8.648 9.054 -0.406 19766 314 1 1 . 1 1 58 58 LYS N N 58 125.954 125.954 124.251 1.703 19766 315 1 1 . 1 1 58 58 LYS HA H 58 4.465 4.465 5.153 -0.688 19766 316 1 1 . 1 1 58 58 LYS C C 58 174.900 174.900 175.121 -0.221 19766 317 1 1 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.355 0.268 19766 318 1 1 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.403 1.143 19766 319 1 1 . 1 1 58 58 LYS H H 58 7.948 7.948 8.798 -0.850 19766 320 1 1 . 1 1 59 59 TYR N N 59 126.396 126.396 126.080 0.316 19766 321 1 1 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.536 0.564 19766 322 1 1 . 1 1 59 59 TYR CA C 59 57.974 57.974 59.275 -1.301 19766 323 1 1 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.384 3.114 19766 324 1 1 . 1 1 59 59 TYR H H 59 9.007 9.007 8.312 0.695 19766 325 1 1 . 1 1 60 60 GLU N N 60 120.848 120.848 121.105 -0.257 19766 326 1 1 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.059 -0.186 19766 327 1 1 . 1 1 60 60 GLU C C 60 175.081 175.081 176.384 -1.303 19766 328 1 1 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.827 0.226 19766 329 1 1 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.426 0.441 19766 330 1 1 . 1 1 60 60 GLU H H 60 8.973 8.973 8.767 0.206 19766 331 1 1 . 1 1 61 61 ASP N N 61 117.604 117.604 117.599 0.005 19766 332 1 1 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.811 0.055 19766 333 1 1 . 1 1 61 61 ASP C C 61 176.598 176.598 176.189 0.409 19766 334 1 1 . 1 1 61 61 ASP CA C 61 51.112 51.112 52.876 -1.764 19766 335 1 1 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.663 0.761 19766 336 1 1 . 1 1 61 61 ASP H H 61 8.017 8.017 8.139 -0.122 19766 337 1 1 . 1 1 62 62 GLN N N 62 126.427 126.427 126.933 -0.506 19766 338 1 1 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.184 0.086 19766 339 1 1 . 1 1 62 62 GLN C C 62 178.514 178.514 177.228 1.286 19766 340 1 1 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.600 -0.095 19766 341 1 1 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.979 -1.006 19766 342 1 1 . 1 1 62 62 GLN H H 62 9.007 9.007 8.949 0.058 19766 343 1 1 . 1 1 63 63 ARG N N 63 121.369 121.369 119.100 2.269 19766 344 1 1 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.132 -0.412 19766 345 1 1 . 1 1 63 63 ARG C C 63 178.566 178.566 178.680 -0.114 19766 346 1 1 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.232 -0.150 19766 347 1 1 . 1 1 63 63 ARG H H 63 9.013 9.013 7.777 1.236 19766 348 1 1 . 1 1 64 64 SER N N 64 115.216 115.216 115.785 -0.569 19766 349 1 1 . 1 1 64 64 SER HA H 64 3.746 3.746 4.318 -0.572 19766 350 1 1 . 1 1 64 64 SER C C 64 175.695 175.695 175.883 -0.188 19766 351 1 1 . 1 1 64 64 SER CA C 64 63.651 63.651 61.510 2.141 19766 352 1 1 . 1 1 64 64 SER H H 64 8.207 8.207 8.124 0.083 19766 353 1 1 . 1 1 65 65 THR N N 65 111.402 111.402 120.197 -8.795 19766 354 1 1 . 1 1 65 65 THR HA H 65 3.785 3.785 3.895 -0.110 19766 355 1 1 . 1 1 65 65 THR C C 65 175.556 175.556 176.262 -0.706 19766 356 1 1 . 1 1 65 65 THR CA C 65 66.178 66.178 67.417 -1.239 19766 357 1 1 . 1 1 65 65 THR CB C 65 68.414 68.414 68.703 -0.289 19766 358 1 1 . 1 1 65 65 THR H H 65 7.640 7.640 7.427 0.213 19766 359 1 1 . 1 1 66 66 ILE N N 66 122.905 122.905 121.608 1.297 19766 360 1 1 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.884 -0.182 19766 361 1 1 . 1 1 66 66 ILE C C 66 177.292 177.292 177.823 -0.531 19766 362 1 1 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.189 -0.935 19766 363 1 1 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.758 0.641 19766 364 1 1 . 1 1 66 66 ILE H H 66 6.702 6.702 7.968 -1.266 19766 365 1 1 . 1 1 67 67 LEU N N 67 114.425 114.425 120.821 -6.396 19766 366 1 1 . 1 1 67 67 LEU HA H 67 3.730 3.730 4.038 -0.308 19766 367 1 1 . 1 1 67 67 LEU C C 67 179.641 179.641 177.792 1.849 19766 368 1 1 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.595 -0.008 19766 369 1 1 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.522 0.160 19766 370 1 1 . 1 1 67 67 LEU H H 67 6.975 6.975 7.718 -0.743 19766 371 1 1 . 1 1 68 68 ALA N N 68 120.639 120.639 121.884 -1.245 19766 372 1 1 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.330 0.105 19766 373 1 1 . 1 1 68 68 ALA C C 68 179.087 179.087 179.820 -0.733 19766 374 1 1 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.796 0.940 19766 375 1 1 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.172 0.841 19766 376 1 1 . 1 1 68 68 ALA H H 68 8.225 8.225 7.699 0.526 19766 377 1 1 . 1 1 69 69 VAL N N 69 118.866 118.866 117.523 1.343 19766 378 1 1 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.599 -0.360 19766 379 1 1 . 1 1 69 69 VAL C C 69 178.798 178.798 177.289 1.509 19766 380 1 1 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.361 0.664 19766 381 1 1 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.696 0.141 19766 382 1 1 . 1 1 69 69 VAL H H 69 8.162 8.162 7.885 0.277 19766 383 1 1 . 1 1 70 70 ASP N N 70 117.230 117.230 117.525 -0.295 19766 384 1 1 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.545 -0.491 19766 385 1 1 . 1 1 70 70 ASP C C 70 178.297 178.297 178.231 0.066 19766 386 1 1 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.555 0.714 19766 387 1 1 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.667 -2.045 19766 388 1 1 . 1 1 70 70 ASP H H 70 8.262 8.262 7.692 0.570 19766 389 1 1 . 1 1 71 71 ASN N N 71 111.214 111.214 117.012 -5.798 19766 390 1 1 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.712 0.151 19766 391 1 1 . 1 1 71 71 ASN C C 71 176.614 176.614 176.529 0.085 19766 392 1 1 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.270 1.331 19766 393 1 1 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.199 2.401 19766 394 1 1 . 1 1 71 71 ASN H H 71 7.541 7.541 8.256 -0.715 19766 395 1 1 . 1 1 72 72 LEU N N 72 116.127 116.127 119.564 -3.437 19766 396 1 1 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.287 0.362 19766 397 1 1 . 1 1 72 72 LEU C C 72 177.465 177.465 175.356 2.109 19766 398 1 1 . 1 1 72 72 LEU CA C 72 54.351 54.351 53.593 0.758 19766 399 1 1 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.939 0.609 19766 400 1 1 . 1 1 72 72 LEU H H 72 8.323 8.323 7.208 1.115 19766 401 1 1 . 1 1 73 73 ASN N N 73 118.792 118.792 117.410 1.382 19766 402 1 1 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.526 -0.115 19766 403 1 1 . 1 1 73 73 ASN C C 73 177.085 177.085 176.139 0.946 19766 404 1 1 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.462 2.092 19766 405 1 1 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.868 0.590 19766 406 1 1 . 1 1 73 73 ASN H H 73 6.965 6.965 7.173 -0.208 19766 407 1 1 . 1 1 74 74 GLY N N 74 115.779 115.779 114.248 1.531 19766 408 1 1 . 1 1 74 74 GLY C C 74 172.848 172.848 173.884 -1.036 19766 409 1 1 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.944 0.814 19766 410 1 1 . 1 1 74 74 GLY H H 74 9.389 9.389 8.327 1.062 19766 411 1 1 . 1 1 75 75 PHE N N 75 123.194 123.194 122.751 0.443 19766 412 1 1 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.416 -0.129 19766 413 1 1 . 1 1 75 75 PHE C C 75 174.778 174.778 174.215 0.563 19766 414 1 1 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.028 0.845 19766 415 1 1 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.363 1.239 19766 416 1 1 . 1 1 75 75 PHE H H 75 8.133 8.133 7.583 0.550 19766 417 1 1 . 1 1 76 76 LYS N N 76 127.364 127.364 128.046 -0.682 19766 418 1 1 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.453 0.218 19766 419 1 1 . 1 1 76 76 LYS C C 76 175.286 175.286 175.625 -0.339 19766 420 1 1 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.605 0.647 19766 421 1 1 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.529 0.672 19766 422 1 1 . 1 1 76 76 LYS H H 76 7.596 7.596 7.997 -0.401 19766 423 1 1 . 1 1 77 77 ILE N N 77 120.094 120.094 127.828 -7.734 19766 424 1 1 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.235 0.123 19766 425 1 1 . 1 1 77 77 ILE C C 77 177.519 177.519 175.719 1.800 19766 426 1 1 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.905 -0.402 19766 427 1 1 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.041 1.595 19766 428 1 1 . 1 1 77 77 ILE H H 77 8.004 8.004 9.028 -1.024 19766 429 1 1 . 1 1 78 78 GLY N N 78 119.932 119.932 116.063 3.869 19766 430 1 1 . 1 1 78 78 GLY C C 78 175.944 175.944 175.290 0.654 19766 431 1 1 . 1 1 78 78 GLY CA C 78 47.219 47.219 44.936 2.283 19766 432 1 1 . 1 1 78 78 GLY H H 78 10.183 10.183 8.970 1.213 19766 433 1 1 . 1 1 79 79 GLY N N 79 104.505 104.505 104.967 -0.462 19766 434 1 1 . 1 1 79 79 GLY C C 79 173.347 173.347 173.821 -0.474 19766 435 1 1 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.900 0.192 19766 436 1 1 . 1 1 79 79 GLY H H 79 8.892 8.892 8.445 0.447 19766 437 1 1 . 1 1 80 80 ARG N N 80 119.144 119.144 119.345 -0.201 19766 438 1 1 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.697 -0.031 19766 439 1 1 . 1 1 80 80 ARG C C 80 174.693 174.693 173.981 0.712 19766 440 1 1 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.318 0.360 19766 441 1 1 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.757 0.650 19766 442 1 1 . 1 1 80 80 ARG H H 80 7.281 7.281 7.395 -0.114 19766 443 1 1 . 1 1 81 81 ALA N N 81 126.229 126.229 123.706 2.523 19766 444 1 1 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.127 -0.926 19766 445 1 1 . 1 1 81 81 ALA C C 81 176.967 176.967 177.038 -0.071 19766 446 1 1 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.594 0.535 19766 447 1 1 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.710 -1.510 19766 448 1 1 . 1 1 81 81 ALA H H 81 8.673 8.673 8.274 0.399 19766 449 1 1 . 1 1 82 82 LEU N N 82 125.471 125.471 117.775 7.696 19766 450 1 1 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.946 -0.522 19766 451 1 1 . 1 1 82 82 LEU C C 82 177.436 177.436 176.022 1.414 19766 452 1 1 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.033 2.117 19766 453 1 1 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.938 0.335 19766 454 1 1 . 1 1 82 82 LEU H H 82 8.702 8.702 8.284 0.418 19766 455 1 1 . 1 1 83 83 LYS N N 83 123.609 123.609 121.540 2.069 19766 456 1 1 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.221 -0.216 19766 457 1 1 . 1 1 83 83 LYS C C 83 174.759 174.759 175.405 -0.646 19766 458 1 1 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.192 0.593 19766 459 1 1 . 1 1 83 83 LYS CB C 83 34.446 34.446 35.222 -0.776 19766 460 1 1 . 1 1 83 83 LYS H H 83 7.853 7.853 8.609 -0.756 19766 461 1 1 . 1 1 84 84 ILE N N 84 125.547 125.547 127.924 -2.377 19766 462 1 1 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.695 0.004 19766 463 1 1 . 1 1 84 84 ILE C C 84 174.989 174.989 175.578 -0.589 19766 464 1 1 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.031 -1.612 19766 465 1 1 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.568 -0.201 19766 466 1 1 . 1 1 84 84 ILE H H 84 8.719 8.719 9.028 -0.309 19766 467 1 1 . 1 1 85 85 ASP N N 85 124.650 124.650 124.915 -0.265 19766 468 1 1 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.979 0.025 19766 469 1 1 . 1 1 85 85 ASP C C 85 175.302 175.302 174.442 0.860 19766 470 1 1 . 1 1 85 85 ASP CA C 85 52.481 52.481 51.879 0.602 19766 471 1 1 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.642 0.827 19766 472 1 1 . 1 1 85 85 ASP H H 85 8.826 8.826 8.706 0.120 19766 473 1 1 . 1 1 86 86 HIS N N 86 121.936 121.936 120.821 1.115 19766 474 1 1 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.091 -0.388 19766 475 1 1 . 1 1 86 86 HIS C C 86 175.216 175.216 175.471 -0.255 19766 476 1 1 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.395 1.548 19766 477 1 1 . 1 1 86 86 HIS CB C 86 31.480 31.480 29.386 2.094 19766 478 1 1 . 1 1 86 86 HIS H H 86 8.909 8.909 8.830 0.079 19766 479 1 1 . 1 1 87 87 THR N N 87 116.612 116.612 117.485 -0.873 19766 480 1 1 . 1 1 87 87 THR HA H 87 4.688 4.688 4.738 -0.050 19766 481 1 1 . 1 1 87 87 THR CA C 87 61.030 61.030 60.452 0.578 19766 482 1 1 . 1 1 87 87 THR CB C 87 69.903 69.903 70.725 -0.822 19766 483 1 1 . 1 1 87 87 THR H H 87 8.521 8.521 8.042 0.479 19766 484 1 1 . 1 1 88 88 PHE N N 88 123.233 123.233 122.488 0.745 19766 485 1 1 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.792 0.502 19766 486 1 1 . 1 1 88 88 PHE C C 88 176.452 176.452 173.118 3.334 19766 487 1 1 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.431 -1.498 19766 488 1 1 . 1 1 88 88 PHE CB C 88 41.113 41.113 42.491 -1.378 19766 489 1 1 . 1 1 88 88 PHE H H 88 8.145 8.145 8.422 -0.277 19766 490 1 1 . 1 1 89 89 TYR N N 89 122.872 122.872 123.586 -0.714 19766 491 1 1 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.808 -0.734 19766 492 1 1 . 1 1 89 89 TYR C C 89 173.089 173.089 173.788 -0.699 19766 493 1 1 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.750 1.779 19766 494 1 1 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.035 -0.228 19766 495 1 1 . 1 1 89 89 TYR H H 89 8.242 8.242 7.590 0.652 19766 496 1 1 . 1 1 90 90 ARG N N 90 128.867 128.867 122.658 6.209 19766 497 1 1 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.150 0.279 19766 498 1 1 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.317 -1.749 19766 499 1 1 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.481 1.513 19766 500 1 1 . 1 1 90 90 ARG H H 90 7.018 7.018 8.482 -1.464 19766 501 1 1 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.707 0.483 19766 502 1 1 . 1 1 91 91 PRO C C 91 176.284 176.284 176.203 0.081 19766 503 1 1 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.112 0.377 19766 504 1 1 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.646 1.401 19766 505 1 1 . 1 1 92 92 LYS N N 92 119.987 119.987 123.352 -3.365 19766 506 1 1 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.149 0.533 19766 507 1 1 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.246 -1.559 19766 508 1 1 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.265 1.794 19766 509 1 1 . 1 1 92 92 LYS H H 92 8.672 8.672 8.224 0.448 19766 510 1 1 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.111 0.063 19766 511 1 1 . 1 1 93 93 ARG C C 93 178.848 178.848 178.745 0.103 19766 512 1 1 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.591 0.601 19766 513 1 1 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.684 0.112 19766 514 1 1 . 1 1 94 94 SER N N 94 112.252 112.252 114.253 -2.001 19766 515 1 1 . 1 1 94 94 SER HA H 94 4.266 4.266 4.297 -0.031 19766 516 1 1 . 1 1 94 94 SER C C 94 175.827 175.827 175.217 0.610 19766 517 1 1 . 1 1 94 94 SER CA C 94 60.087 60.087 60.892 -0.805 19766 518 1 1 . 1 1 94 94 SER CB C 94 62.266 62.266 63.011 -0.745 19766 519 1 1 . 1 1 94 94 SER H H 94 8.353 8.353 8.331 0.022 19766 520 1 1 . 1 1 95 95 LEU N N 95 122.261 122.261 120.120 2.141 19766 521 1 1 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.762 -0.097 19766 522 1 1 . 1 1 95 95 LEU C C 95 175.444 175.444 177.507 -2.063 19766 523 1 1 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.896 0.208 19766 524 1 1 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.250 0.662 19766 525 1 1 . 1 1 95 95 LEU H H 95 7.229 7.229 7.937 -0.708 19766 526 1 1 . 1 1 96 96 GLN N N 96 118.873 118.873 120.784 -1.911 19766 527 1 1 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.058 0.035 19766 528 1 1 . 1 1 96 96 GLN C C 96 177.668 177.668 177.458 0.210 19766 529 1 1 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.017 1.693 19766 530 1 1 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.357 0.624 19766 531 1 1 . 1 1 96 96 GLN H H 96 7.390 7.390 7.556 -0.166 19766 532 1 1 . 1 1 97 97 LYS N N 97 116.416 116.416 119.333 -2.917 19766 533 1 1 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.095 0.022 19766 534 1 1 . 1 1 97 97 LYS C C 97 179.237 179.237 179.199 0.038 19766 535 1 1 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.246 1.147 19766 536 1 1 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.562 -0.046 19766 537 1 1 . 1 1 97 97 LYS H H 97 8.595 8.595 8.249 0.346 19766 538 1 1 . 1 1 98 98 TYR N N 98 123.922 123.922 121.777 2.145 19766 539 1 1 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.165 -0.028 19766 540 1 1 . 1 1 98 98 TYR C C 98 177.309 177.309 177.351 -0.042 19766 541 1 1 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.200 0.029 19766 542 1 1 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.021 -0.731 19766 543 1 1 . 1 1 98 98 TYR H H 98 7.558 7.558 8.258 -0.700 19766 544 1 1 . 1 1 99 99 TYR N N 99 118.047 118.047 117.669 0.378 19766 545 1 1 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.908 1.200 19766 546 1 1 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.402 -3.504 19766 547 1 1 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.305 -1.083 19766 548 1 1 . 1 1 99 99 TYR H H 99 8.624 8.624 7.601 1.023 19766 549 1 1 . 1 1 100 100 GLU N N 100 118.804 118.804 117.992 0.812 19766 550 1 1 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.963 0.103 19766 551 1 1 . 1 1 100 100 GLU C C 100 178.595 178.595 178.322 0.273 19766 552 1 1 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.188 0.297 19766 553 1 1 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.137 0.658 19766 554 1 1 . 1 1 100 100 GLU H H 100 8.348 8.348 8.632 -0.284 19766 555 1 1 . 1 1 101 101 ALA N N 101 123.315 123.315 122.328 0.987 19766 556 1 1 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.061 0.234 19766 557 1 1 . 1 1 101 101 ALA C C 101 181.438 181.438 179.610 1.828 19766 558 1 1 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.871 -0.013 19766 559 1 1 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.469 0.208 19766 560 1 1 . 1 1 101 101 ALA H H 101 7.963 7.963 7.835 0.128 19766 561 1 1 . 1 1 102 102 VAL N N 102 120.092 120.092 118.506 1.586 19766 562 1 1 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.571 0.206 19766 563 1 1 . 1 1 102 102 VAL C C 102 176.958 176.958 178.360 -1.402 19766 564 1 1 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.839 1.566 19766 565 1 1 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.073 0.763 19766 566 1 1 . 1 1 102 102 VAL H H 102 8.321 8.321 7.521 0.800 19766 567 1 1 . 1 1 103 103 LYS N N 103 120.226 120.226 119.098 1.128 19766 568 1 1 . 1 1 103 103 LYS HA H 103 3.926 3.926 3.973 -0.047 19766 569 1 1 . 1 1 103 103 LYS C C 103 178.354 178.354 178.486 -0.132 19766 570 1 1 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.542 0.141 19766 571 1 1 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.836 0.340 19766 572 1 1 . 1 1 103 103 LYS H H 103 8.266 8.266 7.911 0.355 19766 573 1 1 . 1 1 104 104 GLU N N 104 116.521 116.521 119.946 -3.425 19766 574 1 1 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.005 -0.044 19766 575 1 1 . 1 1 104 104 GLU C C 104 178.628 178.628 179.161 -0.533 19766 576 1 1 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.557 -0.447 19766 577 1 1 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.049 0.676 19766 578 1 1 . 1 1 104 104 GLU H H 104 8.027 8.027 8.179 -0.152 19766 579 1 1 . 1 1 105 105 GLU N N 105 118.569 118.569 117.022 1.547 19766 580 1 1 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.165 -0.265 19766 581 1 1 . 1 1 105 105 GLU C C 105 178.399 178.399 178.449 -0.050 19766 582 1 1 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.950 0.315 19766 583 1 1 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.276 0.497 19766 584 1 1 . 1 1 105 105 GLU H H 105 7.225 7.225 7.846 -0.621 19766 585 1 1 . 1 1 106 106 LEU N N 106 116.938 116.938 118.551 -1.613 19766 586 1 1 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.319 -0.286 19766 587 1 1 . 1 1 106 106 LEU C C 106 179.770 179.770 178.799 0.971 19766 588 1 1 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.529 0.396 19766 589 1 1 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.375 -2.090 19766 590 1 1 . 1 1 106 106 LEU H H 106 8.273 8.273 7.352 0.921 19766 591 1 1 . 1 1 107 107 ASP N N 107 119.855 119.855 120.031 -0.176 19766 592 1 1 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.322 0.226 19766 593 1 1 . 1 1 107 107 ASP C C 107 177.891 177.891 178.207 -0.316 19766 594 1 1 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.531 -1.598 19766 595 1 1 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.836 -0.122 19766 596 1 1 . 1 1 107 107 ASP H H 107 8.286 8.286 8.864 -0.578 19766 597 1 1 . 1 1 108 108 ARG N N 108 118.853 118.853 118.036 0.817 19766 598 1 1 . 1 1 108 108 ARG HA H 108 4.081 4.081 3.926 0.155 19766 599 1 1 . 1 1 108 108 ARG C C 108 177.325 177.325 178.366 -1.041 19766 600 1 1 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.791 -0.783 19766 601 1 1 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.729 0.675 19766 602 1 1 . 1 1 108 108 ARG H H 108 7.406 7.406 7.754 -0.348 19766 603 1 1 . 1 1 109 109 ASP N N 109 119.636 119.636 117.032 2.604 19766 604 1 1 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.549 -0.014 19766 605 1 1 . 1 1 109 109 ASP C C 109 176.758 176.758 177.909 -1.151 19766 606 1 1 . 1 1 109 109 ASP CA C 109 55.238 55.238 56.083 -0.845 19766 607 1 1 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.325 -0.580 19766 608 1 1 . 1 1 109 109 ASP H H 109 7.853 7.853 7.698 0.155 19766 609 1 1 . 1 1 110 110 ILE N N 110 119.905 119.905 118.933 0.972 19766 610 1 1 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.818 0.286 19766 611 1 1 . 1 1 110 110 ILE C C 110 176.642 176.642 176.800 -0.158 19766 612 1 1 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.856 -2.080 19766 613 1 1 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.509 -0.055 19766 614 1 1 . 1 1 110 110 ILE H H 110 7.623 7.623 7.213 0.410 19766 615 1 1 . 1 1 111 111 VAL N N 111 122.938 122.938 120.764 2.174 19766 616 1 1 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.997 0.081 19766 617 1 1 . 1 1 111 111 VAL C C 111 176.668 176.668 174.664 2.004 19766 618 1 1 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.550 0.487 19766 619 1 1 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.499 -0.017 19766 620 1 1 . 1 1 111 111 VAL H H 111 8.043 8.043 8.013 0.030 19766 621 1 1 . 1 1 112 112 SER N N 112 118.345 118.345 124.888 -6.543 19766 622 1 1 . 1 1 112 112 SER HA H 112 4.417 4.417 4.623 -0.206 19766 623 1 1 . 1 1 112 112 SER C C 112 174.925 174.925 173.533 1.392 19766 624 1 1 . 1 1 112 112 SER CA C 112 58.848 58.848 58.561 0.287 19766 625 1 1 . 1 1 112 112 SER CB C 112 63.551 63.551 63.911 -0.360 19766 626 1 1 . 1 1 112 112 SER H H 112 8.210 8.210 8.585 -0.375 19766 627 1 1 . 1 1 113 113 LYS N N 113 122.729 122.729 125.981 -3.252 19766 628 1 1 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.573 -0.255 19766 629 1 1 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.803 0.793 19766 630 1 1 . 1 1 113 113 LYS CB C 113 32.846 32.846 33.022 -0.175 19766 631 1 1 . 1 1 113 113 LYS H H 113 8.295 8.295 8.386 -0.091 19766 632 1 1 . 1 1 114 114 ASN N N 114 119.243 119.243 120.272 -1.029 19766 633 1 1 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.524 0.154 19766 634 1 1 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.971 -0.488 19766 635 1 1 . 1 1 114 114 ASN CB C 114 38.858 38.858 38.809 0.049 19766 636 1 1 . 1 1 114 114 ASN H H 114 8.372 8.372 8.923 -0.551 19766 637 1 1 . 1 1 115 115 ASN N N 115 119.155 119.155 117.527 1.628 19766 638 1 1 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.781 -0.099 19766 639 1 1 . 1 1 115 115 ASN C C 115 174.877 174.877 173.964 0.913 19766 640 1 1 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.534 0.949 19766 641 1 1 . 1 1 115 115 ASN CB C 115 38.858 38.858 40.563 -1.706 19766 642 1 1 . 1 1 115 115 ASN H H 115 8.372 8.372 7.607 0.765 19766 643 1 1 . 1 1 116 116 ALA N N 116 123.743 123.743 127.858 -4.115 19766 644 1 1 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.385 -0.056 19766 645 1 1 . 1 1 116 116 ALA C C 116 177.574 177.574 177.303 0.271 19766 646 1 1 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.748 -0.056 19766 647 1 1 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.751 -0.404 19766 648 1 1 . 1 1 116 116 ALA H H 116 8.116 8.116 8.517 -0.401 19766 649 1 1 . 1 1 117 117 GLU N N 117 120.161 120.161 118.860 1.301 19766 650 1 1 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.530 -0.257 19766 651 1 1 . 1 1 117 117 GLU C C 117 175.557 175.557 175.018 0.539 19766 652 1 1 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.159 0.500 19766 653 1 1 . 1 1 117 117 GLU CB C 117 30.154 30.154 31.676 -1.522 19766 654 1 1 . 1 1 117 117 GLU H H 117 8.220 8.220 8.149 0.071 19766 655 1 2 . 1 1 2 2 ALA HA H 2 4.340 4.340 3.921 0.419 19766 656 1 2 . 1 1 2 2 ALA C C 2 177.830 177.830 176.273 1.557 19766 657 1 2 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.698 -0.005 19766 658 1 2 . 1 1 2 2 ALA CB C 2 19.359 19.359 17.282 2.077 19766 659 1 2 . 1 1 3 3 MET N N 3 119.580 119.580 116.745 2.835 19766 660 1 2 . 1 1 3 3 MET HA H 3 4.482 4.482 4.637 -0.155 19766 661 1 2 . 1 1 3 3 MET C C 3 176.714 176.714 176.757 -0.043 19766 662 1 2 . 1 1 3 3 MET CA C 3 55.590 55.590 53.985 1.605 19766 663 1 2 . 1 1 3 3 MET CB C 3 32.922 32.922 35.615 -2.693 19766 664 1 2 . 1 1 3 3 MET H H 3 8.451 8.451 7.429 1.022 19766 665 1 2 . 1 1 4 4 GLY N N 4 109.951 109.951 108.352 1.599 19766 666 1 2 . 1 1 4 4 GLY C C 4 174.082 174.082 174.040 0.042 19766 667 1 2 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.132 0.334 19766 668 1 2 . 1 1 4 4 GLY H H 4 8.400 8.400 8.758 -0.358 19766 669 1 2 . 1 1 5 5 ASN N N 5 118.667 118.667 122.098 -3.431 19766 670 1 2 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.452 0.232 19766 671 1 2 . 1 1 5 5 ASN C C 5 175.489 175.489 176.437 -0.948 19766 672 1 2 . 1 1 5 5 ASN CA C 5 53.501 53.501 55.373 -1.872 19766 673 1 2 . 1 1 5 5 ASN CB C 5 38.966 38.966 39.038 -0.072 19766 674 1 2 . 1 1 5 5 ASN H H 5 8.378 8.378 8.309 0.069 19766 675 1 2 . 1 1 6 6 GLU N N 6 120.908 120.908 117.674 3.234 19766 676 1 2 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.123 0.043 19766 677 1 2 . 1 1 6 6 GLU C C 6 176.336 176.336 175.768 0.568 19766 678 1 2 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.878 -0.609 19766 679 1 2 . 1 1 6 6 GLU CB C 6 29.736 29.736 30.387 -0.651 19766 680 1 2 . 1 1 6 6 GLU H H 6 8.620 8.620 8.167 0.453 19766 681 1 2 . 1 1 7 7 TYR N N 7 120.339 120.339 113.802 6.537 19766 682 1 2 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.466 0.034 19766 683 1 2 . 1 1 7 7 TYR C C 7 175.808 175.808 174.391 1.417 19766 684 1 2 . 1 1 7 7 TYR CA C 7 58.151 58.151 58.357 -0.206 19766 685 1 2 . 1 1 7 7 TYR CB C 7 38.194 38.194 40.154 -1.960 19766 686 1 2 . 1 1 7 7 TYR H H 7 8.045 8.045 7.586 0.459 19766 687 1 2 . 1 1 8 8 LYS N N 8 121.700 121.700 118.265 3.435 19766 688 1 2 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.231 -0.081 19766 689 1 2 . 1 1 8 8 LYS C C 8 175.868 175.868 177.694 -1.826 19766 690 1 2 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.907 -0.345 19766 691 1 2 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.217 0.941 19766 692 1 2 . 1 1 8 8 LYS H H 8 7.829 7.829 8.519 -0.690 19766 693 1 2 . 1 1 9 9 ASP N N 9 119.811 119.811 120.300 -0.489 19766 694 1 2 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.544 0.094 19766 695 1 2 . 1 1 9 9 ASP C C 9 175.972 175.972 175.109 0.863 19766 696 1 2 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.820 -0.196 19766 697 1 2 . 1 1 9 9 ASP CB C 9 41.539 41.539 39.746 1.793 19766 698 1 2 . 1 1 9 9 ASP H H 9 8.137 8.137 8.730 -0.593 19766 699 1 2 . 1 1 10 10 ASN N N 10 119.794 119.794 119.090 0.704 19766 700 1 2 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.113 -0.141 19766 701 1 2 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.815 0.030 19766 702 1 2 . 1 1 10 10 ASN CB C 10 38.759 38.759 39.373 -0.614 19766 703 1 2 . 1 1 10 10 ASN H H 10 8.292 8.292 7.890 0.402 19766 704 1 2 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.478 0.125 19766 705 1 2 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.007 0.242 19766 706 1 2 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.632 -0.444 19766 707 1 2 . 1 1 12 12 TYR N N 12 118.889 118.889 117.801 1.088 19766 708 1 2 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.109 0.035 19766 709 1 2 . 1 1 12 12 TYR C C 12 177.773 177.773 175.630 2.143 19766 710 1 2 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.194 -1.011 19766 711 1 2 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.825 2.757 19766 712 1 2 . 1 1 12 12 TYR H H 12 8.057 8.057 7.841 0.216 19766 713 1 2 . 1 1 13 13 ILE N N 13 112.765 112.765 118.587 -5.822 19766 714 1 2 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.010 0.144 19766 715 1 2 . 1 1 13 13 ILE C C 13 174.312 174.312 174.634 -0.322 19766 716 1 2 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.222 0.814 19766 717 1 2 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.788 -0.893 19766 718 1 2 . 1 1 13 13 ILE H H 13 9.310 9.310 9.334 -0.024 19766 719 1 2 . 1 1 14 14 TYR N N 14 124.417 124.417 128.212 -3.795 19766 720 1 2 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.945 -0.238 19766 721 1 2 . 1 1 14 14 TYR C C 14 173.058 173.058 174.102 -1.044 19766 722 1 2 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.685 -1.473 19766 723 1 2 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.327 0.892 19766 724 1 2 . 1 1 14 14 TYR H H 14 9.252 9.252 9.047 0.205 19766 725 1 2 . 1 1 15 15 ILE N N 15 127.660 127.660 128.956 -1.296 19766 726 1 2 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.997 -0.732 19766 727 1 2 . 1 1 15 15 ILE C C 15 173.705 173.705 174.761 -1.056 19766 728 1 2 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.587 -0.101 19766 729 1 2 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.856 1.146 19766 730 1 2 . 1 1 15 15 ILE H H 15 8.558 8.558 8.632 -0.074 19766 731 1 2 . 1 1 16 16 GLY N N 16 112.792 112.792 112.837 -0.045 19766 732 1 2 . 1 1 16 16 GLY C C 16 173.110 173.110 172.824 0.286 19766 733 1 2 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.910 0.339 19766 734 1 2 . 1 1 16 16 GLY H H 16 9.516 9.516 8.861 0.655 19766 735 1 2 . 1 1 17 17 ASN N N 17 115.139 115.139 117.803 -2.664 19766 736 1 2 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.063 0.333 19766 737 1 2 . 1 1 17 17 ASN C C 17 174.854 174.854 173.466 1.388 19766 738 1 2 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.474 -0.238 19766 739 1 2 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.684 0.249 19766 740 1 2 . 1 1 17 17 ASN H H 17 8.511 8.511 7.789 0.722 19766 741 1 2 . 1 1 18 18 LEU N N 18 114.660 114.660 120.835 -6.175 19766 742 1 2 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.492 -0.456 19766 743 1 2 . 1 1 18 18 LEU C C 18 178.161 178.161 175.216 2.945 19766 744 1 2 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.341 0.543 19766 745 1 2 . 1 1 18 18 LEU CB C 18 42.562 42.562 44.984 -2.422 19766 746 1 2 . 1 1 18 18 LEU H H 18 7.839 7.839 7.545 0.294 19766 747 1 2 . 1 1 19 19 ASN N N 19 122.707 122.707 118.024 4.683 19766 748 1 2 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.711 -0.348 19766 749 1 2 . 1 1 19 19 ASN C C 19 178.037 178.037 176.961 1.076 19766 750 1 2 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.298 2.306 19766 751 1 2 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.728 -0.916 19766 752 1 2 . 1 1 19 19 ASN H H 19 8.779 8.779 8.374 0.405 19766 753 1 2 . 1 1 20 20 ARG N N 20 128.724 128.724 122.494 6.230 19766 754 1 2 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.925 -0.072 19766 755 1 2 . 1 1 20 20 ARG C C 20 175.612 175.612 177.215 -1.603 19766 756 1 2 . 1 1 20 20 ARG CA C 20 58.774 58.774 59.666 -0.892 19766 757 1 2 . 1 1 20 20 ARG CB C 20 29.684 29.684 29.690 -0.006 19766 758 1 2 . 1 1 20 20 ARG H H 20 8.954 8.954 8.792 0.162 19766 759 1 2 . 1 1 21 21 GLU N N 21 117.609 117.609 115.818 1.791 19766 760 1 2 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.118 0.155 19766 761 1 2 . 1 1 21 21 GLU C C 21 177.285 177.285 176.797 0.488 19766 762 1 2 . 1 1 21 21 GLU CA C 21 56.782 56.782 57.404 -0.622 19766 763 1 2 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.968 1.530 19766 764 1 2 . 1 1 21 21 GLU H H 21 9.092 9.092 8.309 0.783 19766 765 1 2 . 1 1 22 22 LEU N N 22 116.169 116.169 123.072 -6.903 19766 766 1 2 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.256 0.300 19766 767 1 2 . 1 1 22 22 LEU C C 22 178.328 178.328 176.599 1.729 19766 768 1 2 . 1 1 22 22 LEU CA C 22 55.656 55.656 55.357 0.299 19766 769 1 2 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.222 1.004 19766 770 1 2 . 1 1 22 22 LEU H H 22 7.208 7.208 7.475 -0.267 19766 771 1 2 . 1 1 23 23 THR N N 23 113.733 113.733 116.887 -3.154 19766 772 1 2 . 1 1 23 23 THR HA H 23 4.349 4.349 4.581 -0.232 19766 773 1 2 . 1 1 23 23 THR C C 23 175.225 175.225 175.436 -0.211 19766 774 1 2 . 1 1 23 23 THR CA C 23 59.960 59.960 59.573 0.387 19766 775 1 2 . 1 1 23 23 THR CB C 23 72.172 72.172 71.013 1.159 19766 776 1 2 . 1 1 23 23 THR H H 23 8.732 8.732 7.782 0.950 19766 777 1 2 . 1 1 24 24 GLU N N 24 119.838 119.838 122.125 -2.287 19766 778 1 2 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.160 -0.503 19766 779 1 2 . 1 1 24 24 GLU C C 24 178.983 178.983 178.665 0.318 19766 780 1 2 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.574 2.997 19766 781 1 2 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.185 -1.839 19766 782 1 2 . 1 1 24 24 GLU H H 24 9.761 9.761 8.938 0.823 19766 783 1 2 . 1 1 25 25 GLY N N 25 104.462 104.462 106.289 -1.827 19766 784 1 2 . 1 1 25 25 GLY C C 25 175.139 175.139 175.409 -0.270 19766 785 1 2 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.734 0.871 19766 786 1 2 . 1 1 25 25 GLY H H 25 8.486 8.486 8.538 -0.052 19766 787 1 2 . 1 1 26 26 ASP N N 26 123.296 123.296 123.022 0.274 19766 788 1 2 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.528 0.042 19766 789 1 2 . 1 1 26 26 ASP C C 26 178.135 178.135 178.163 -0.028 19766 790 1 2 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.092 0.721 19766 791 1 2 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.072 0.813 19766 792 1 2 . 1 1 26 26 ASP H H 26 7.960 7.960 7.493 0.467 19766 793 1 2 . 1 1 27 27 ILE N N 27 118.853 118.853 120.802 -1.949 19766 794 1 2 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.801 -0.194 19766 795 1 2 . 1 1 27 27 ILE C C 27 178.424 178.424 178.206 0.218 19766 796 1 2 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.057 0.684 19766 797 1 2 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.913 -0.202 19766 798 1 2 . 1 1 27 27 ILE H H 27 8.159 8.159 7.761 0.398 19766 799 1 2 . 1 1 28 28 LEU N N 28 118.549 118.549 119.900 -1.351 19766 800 1 2 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.888 0.016 19766 801 1 2 . 1 1 28 28 LEU C C 28 180.057 180.057 179.034 1.023 19766 802 1 2 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.475 0.056 19766 803 1 2 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.286 0.659 19766 804 1 2 . 1 1 28 28 LEU H H 28 8.414 8.414 8.259 0.155 19766 805 1 2 . 1 1 29 29 THR N N 29 122.156 122.156 114.258 7.898 19766 806 1 2 . 1 1 29 29 THR HA H 29 4.032 4.032 3.943 0.089 19766 807 1 2 . 1 1 29 29 THR C C 29 175.113 175.113 176.139 -1.026 19766 808 1 2 . 1 1 29 29 THR CA C 29 66.754 66.754 66.266 0.488 19766 809 1 2 . 1 1 29 29 THR CB C 29 68.490 68.490 68.939 -0.449 19766 810 1 2 . 1 1 29 29 THR H H 29 8.715 8.715 7.845 0.870 19766 811 1 2 . 1 1 30 30 VAL N N 30 116.487 116.487 116.724 -0.237 19766 812 1 2 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.952 -0.121 19766 813 1 2 . 1 1 30 30 VAL C C 30 179.968 179.968 177.535 2.433 19766 814 1 2 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.772 0.743 19766 815 1 2 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.483 1.561 19766 816 1 2 . 1 1 30 30 VAL H H 30 7.713 7.713 7.805 -0.092 19766 817 1 2 . 1 1 31 31 PHE N N 31 113.658 113.658 120.588 -6.930 19766 818 1 2 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.686 -0.819 19766 819 1 2 . 1 1 31 31 PHE C C 31 179.577 179.577 178.900 0.677 19766 820 1 2 . 1 1 31 31 PHE CA C 31 62.403 62.403 61.158 1.245 19766 821 1 2 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.734 -1.421 19766 822 1 2 . 1 1 31 31 PHE H H 31 8.876 8.876 8.987 -0.111 19766 823 1 2 . 1 1 32 32 SER N N 32 118.635 118.635 115.805 2.830 19766 824 1 2 . 1 1 32 32 SER HA H 32 5.381 5.381 4.552 0.829 19766 825 1 2 . 1 1 32 32 SER C C 32 172.662 172.662 176.439 -3.777 19766 826 1 2 . 1 1 32 32 SER CA C 32 61.338 61.338 60.277 1.061 19766 827 1 2 . 1 1 32 32 SER CB C 32 63.875 63.875 62.456 1.419 19766 828 1 2 . 1 1 32 32 SER H H 32 8.106 8.106 8.573 -0.467 19766 829 1 2 . 1 1 33 33 GLU N N 33 121.234 121.234 121.783 -0.549 19766 830 1 2 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.013 -1.856 19766 831 1 2 . 1 1 33 33 GLU C C 33 174.223 174.223 177.451 -3.228 19766 832 1 2 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.219 1.421 19766 833 1 2 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.508 -1.677 19766 834 1 2 . 1 1 33 33 GLU H H 33 6.964 6.964 7.537 -0.573 19766 835 1 2 . 1 1 34 34 TYR N N 34 107.930 107.930 117.370 -9.440 19766 836 1 2 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.560 -0.407 19766 837 1 2 . 1 1 34 34 TYR C C 34 173.208 173.208 174.953 -1.745 19766 838 1 2 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.840 -0.511 19766 839 1 2 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.961 -0.083 19766 840 1 2 . 1 1 34 34 TYR H H 34 6.229 6.229 7.876 -1.647 19766 841 1 2 . 1 1 35 35 GLY N N 35 103.542 103.542 105.353 -1.811 19766 842 1 2 . 1 1 35 35 GLY C C 35 170.379 170.379 172.288 -1.909 19766 843 1 2 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.029 -0.350 19766 844 1 2 . 1 1 35 35 GLY H H 35 7.257 7.257 7.306 -0.049 19766 845 1 2 . 1 1 36 36 VAL N N 36 120.446 120.446 120.690 -0.244 19766 846 1 2 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.557 -0.053 19766 847 1 2 . 1 1 36 36 VAL CA C 36 59.715 59.715 58.755 0.960 19766 848 1 2 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.081 0.950 19766 849 1 2 . 1 1 36 36 VAL H H 36 8.438 8.438 8.589 -0.151 19766 850 1 2 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.250 0.453 19766 851 1 2 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.695 -0.321 19766 852 1 2 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.134 0.938 19766 853 1 2 . 1 1 38 38 VAL N N 38 113.929 113.929 117.154 -3.225 19766 854 1 2 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.141 0.341 19766 855 1 2 . 1 1 38 38 VAL CA C 38 60.454 60.454 61.935 -1.482 19766 856 1 2 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.841 -0.337 19766 857 1 2 . 1 1 38 38 VAL H H 38 8.966 8.966 8.564 0.402 19766 858 1 2 . 1 1 39 39 ASP N N 39 118.213 118.213 118.660 -0.447 19766 859 1 2 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.903 -0.228 19766 860 1 2 . 1 1 39 39 ASP C C 39 174.637 174.637 173.365 1.272 19766 861 1 2 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.326 0.362 19766 862 1 2 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.465 -0.659 19766 863 1 2 . 1 1 39 39 ASP H H 39 7.500 7.500 7.602 -0.102 19766 864 1 2 . 1 1 40 40 VAL N N 40 121.576 121.576 123.494 -1.918 19766 865 1 2 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.991 0.000 19766 866 1 2 . 1 1 40 40 VAL C C 40 170.562 170.562 173.940 -3.378 19766 867 1 2 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.009 0.349 19766 868 1 2 . 1 1 40 40 VAL CB C 40 34.219 34.219 35.471 -1.252 19766 869 1 2 . 1 1 40 40 VAL H H 40 7.657 7.657 8.437 -0.780 19766 870 1 2 . 1 1 41 41 ILE N N 41 125.384 125.384 124.289 1.095 19766 871 1 2 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.771 0.047 19766 872 1 2 . 1 1 41 41 ILE C C 41 175.425 175.425 173.387 2.038 19766 873 1 2 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.234 2.256 19766 874 1 2 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.341 1.215 19766 875 1 2 . 1 1 41 41 ILE H H 41 8.901 8.901 9.213 -0.312 19766 876 1 2 . 1 1 42 42 LEU N N 42 128.888 128.888 126.832 2.056 19766 877 1 2 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.718 -0.257 19766 878 1 2 . 1 1 42 42 LEU C C 42 174.934 174.934 175.538 -0.604 19766 879 1 2 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.268 0.109 19766 880 1 2 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.559 -0.019 19766 881 1 2 . 1 1 42 42 LEU H H 42 8.344 8.344 8.528 -0.184 19766 882 1 2 . 1 1 43 43 SER N N 43 122.818 122.818 121.865 0.953 19766 883 1 2 . 1 1 43 43 SER HA H 43 3.876 3.876 4.489 -0.613 19766 884 1 2 . 1 1 43 43 SER C C 43 173.869 173.869 173.137 0.732 19766 885 1 2 . 1 1 43 43 SER CA C 43 59.688 59.688 58.012 1.676 19766 886 1 2 . 1 1 43 43 SER CB C 43 62.673 62.673 62.857 -0.184 19766 887 1 2 . 1 1 43 43 SER H H 43 8.362 8.362 8.873 -0.511 19766 888 1 2 . 1 1 44 44 ARG N N 44 128.045 128.045 125.837 2.208 19766 889 1 2 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.158 -0.329 19766 890 1 2 . 1 1 44 44 ARG C C 44 175.031 175.031 175.117 -0.086 19766 891 1 2 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.376 0.687 19766 892 1 2 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.531 0.767 19766 893 1 2 . 1 1 44 44 ARG H H 44 8.079 8.079 7.633 0.446 19766 894 1 2 . 1 1 45 45 ASP N N 45 123.491 123.491 121.910 1.581 19766 895 1 2 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.449 -0.212 19766 896 1 2 . 1 1 45 45 ASP C C 45 177.487 177.487 177.431 0.056 19766 897 1 2 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.568 0.349 19766 898 1 2 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.644 0.967 19766 899 1 2 . 1 1 45 45 ASP H H 45 8.663 8.663 8.420 0.243 19766 900 1 2 . 1 1 46 46 GLU N N 46 125.446 125.446 126.267 -0.821 19766 901 1 2 . 1 1 46 46 GLU HA H 46 3.907 3.907 3.962 -0.055 19766 902 1 2 . 1 1 46 46 GLU C C 46 175.655 175.655 176.670 -1.015 19766 903 1 2 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.666 0.207 19766 904 1 2 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.781 -0.127 19766 905 1 2 . 1 1 46 46 GLU H H 46 9.007 9.007 8.757 0.250 19766 906 1 2 . 1 1 47 47 ASN N N 47 115.343 115.343 116.285 -0.942 19766 907 1 2 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.710 0.174 19766 908 1 2 . 1 1 47 47 ASN C C 47 176.665 176.665 177.052 -0.387 19766 909 1 2 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.844 0.095 19766 910 1 2 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.628 0.602 19766 911 1 2 . 1 1 47 47 ASN H H 47 8.947 8.947 8.405 0.542 19766 912 1 2 . 1 1 48 48 THR N N 48 107.604 107.604 113.557 -5.953 19766 913 1 2 . 1 1 48 48 THR HA H 48 4.468 4.468 4.458 0.010 19766 914 1 2 . 1 1 48 48 THR C C 48 176.465 176.465 175.639 0.826 19766 915 1 2 . 1 1 48 48 THR CA C 48 61.555 61.555 62.549 -0.994 19766 916 1 2 . 1 1 48 48 THR CB C 48 71.342 71.342 70.255 1.087 19766 917 1 2 . 1 1 48 48 THR H H 48 8.450 8.450 8.254 0.196 19766 918 1 2 . 1 1 49 49 GLY N N 49 111.809 111.809 109.342 2.467 19766 919 1 2 . 1 1 49 49 GLY C C 49 173.193 173.193 173.160 0.033 19766 920 1 2 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.489 0.234 19766 921 1 2 . 1 1 49 49 GLY H H 49 8.632 8.632 7.738 0.894 19766 922 1 2 . 1 1 50 50 GLU N N 50 120.089 120.089 118.118 1.971 19766 923 1 2 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.327 -0.194 19766 924 1 2 . 1 1 50 50 GLU C C 50 176.586 176.586 176.344 0.242 19766 925 1 2 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.845 1.687 19766 926 1 2 . 1 1 50 50 GLU CB C 50 31.084 31.084 29.818 1.266 19766 927 1 2 . 1 1 50 50 GLU H H 50 7.825 7.825 8.284 -0.459 19766 928 1 2 . 1 1 51 51 SER N N 51 115.686 115.686 122.496 -6.810 19766 929 1 2 . 1 1 51 51 SER HA H 51 4.273 4.273 4.444 -0.171 19766 930 1 2 . 1 1 51 51 SER C C 51 176.516 176.516 175.209 1.307 19766 931 1 2 . 1 1 51 51 SER CA C 51 58.415 58.415 59.364 -0.949 19766 932 1 2 . 1 1 51 51 SER CB C 51 64.668 64.668 63.183 1.485 19766 933 1 2 . 1 1 51 51 SER H H 51 8.871 8.871 8.784 0.087 19766 934 1 2 . 1 1 52 52 GLN N N 52 123.284 123.284 124.077 -0.793 19766 935 1 2 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.331 0.160 19766 936 1 2 . 1 1 52 52 GLN C C 52 177.471 177.471 177.069 0.402 19766 937 1 2 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.973 -0.826 19766 938 1 2 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.416 0.464 19766 939 1 2 . 1 1 52 52 GLN H H 52 9.103 9.103 8.967 0.136 19766 940 1 2 . 1 1 53 53 GLY N N 53 105.865 105.865 106.056 -0.191 19766 941 1 2 . 1 1 53 53 GLY C C 53 172.010 172.010 172.974 -0.964 19766 942 1 2 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.772 1.873 19766 943 1 2 . 1 1 53 53 GLY H H 53 8.888 8.888 8.082 0.806 19766 944 1 2 . 1 1 54 54 PHE N N 54 112.097 112.097 118.850 -6.753 19766 945 1 2 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.255 0.091 19766 946 1 2 . 1 1 54 54 PHE C C 54 171.548 171.548 173.193 -1.645 19766 947 1 2 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.302 -0.631 19766 948 1 2 . 1 1 54 54 PHE CB C 54 40.680 40.680 43.059 -2.379 19766 949 1 2 . 1 1 54 54 PHE H H 54 6.879 6.879 7.314 -0.435 19766 950 1 2 . 1 1 55 55 ALA N N 55 122.332 122.332 121.233 1.099 19766 951 1 2 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.876 0.247 19766 952 1 2 . 1 1 55 55 ALA C C 55 173.074 173.074 174.481 -1.407 19766 953 1 2 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.793 -1.264 19766 954 1 2 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.689 3.050 19766 955 1 2 . 1 1 55 55 ALA H H 55 9.051 9.051 8.857 0.194 19766 956 1 2 . 1 1 56 56 TYR N N 56 115.022 115.022 116.065 -1.043 19766 957 1 2 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.833 -0.159 19766 958 1 2 . 1 1 56 56 TYR C C 56 175.292 175.292 174.269 1.023 19766 959 1 2 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.676 -1.095 19766 960 1 2 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.227 -0.880 19766 961 1 2 . 1 1 56 56 TYR H H 56 9.007 9.007 9.009 -0.002 19766 962 1 2 . 1 1 57 57 LEU N N 57 122.695 122.695 121.468 1.227 19766 963 1 2 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.313 -0.554 19766 964 1 2 . 1 1 57 57 LEU C C 57 172.173 172.173 173.982 -1.809 19766 965 1 2 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.980 0.836 19766 966 1 2 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.420 0.486 19766 967 1 2 . 1 1 57 57 LEU H H 57 8.648 8.648 8.985 -0.337 19766 968 1 2 . 1 1 58 58 LYS N N 58 125.954 125.954 119.469 6.485 19766 969 1 2 . 1 1 58 58 LYS HA H 58 4.465 4.465 5.010 -0.545 19766 970 1 2 . 1 1 58 58 LYS C C 58 174.900 174.900 175.064 -0.164 19766 971 1 2 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.498 0.125 19766 972 1 2 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.197 1.349 19766 973 1 2 . 1 1 58 58 LYS H H 58 7.948 7.948 8.888 -0.940 19766 974 1 2 . 1 1 59 59 TYR N N 59 126.396 126.396 123.593 2.803 19766 975 1 2 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.734 0.366 19766 976 1 2 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.385 -0.411 19766 977 1 2 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.514 2.984 19766 978 1 2 . 1 1 59 59 TYR H H 59 9.007 9.007 8.243 0.764 19766 979 1 2 . 1 1 60 60 GLU N N 60 120.848 120.848 120.693 0.155 19766 980 1 2 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.069 -0.196 19766 981 1 2 . 1 1 60 60 GLU C C 60 175.081 175.081 176.291 -1.210 19766 982 1 2 . 1 1 60 60 GLU CA C 60 59.053 59.053 59.026 0.027 19766 983 1 2 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.458 0.409 19766 984 1 2 . 1 1 60 60 GLU H H 60 8.973 8.973 8.482 0.491 19766 985 1 2 . 1 1 61 61 ASP N N 61 117.604 117.604 116.659 0.945 19766 986 1 2 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.833 0.033 19766 987 1 2 . 1 1 61 61 ASP C C 61 176.598 176.598 176.662 -0.064 19766 988 1 2 . 1 1 61 61 ASP CA C 61 51.112 51.112 52.788 -1.675 19766 989 1 2 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.124 0.300 19766 990 1 2 . 1 1 61 61 ASP H H 61 8.017 8.017 8.015 0.002 19766 991 1 2 . 1 1 62 62 GLN N N 62 126.427 126.427 124.964 1.463 19766 992 1 2 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.196 0.074 19766 993 1 2 . 1 1 62 62 GLN C C 62 178.514 178.514 177.451 1.063 19766 994 1 2 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.739 -0.234 19766 995 1 2 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.028 -1.055 19766 996 1 2 . 1 1 62 62 GLN H H 62 9.007 9.007 8.942 0.065 19766 997 1 2 . 1 1 63 63 ARG N N 63 121.369 121.369 118.561 2.808 19766 998 1 2 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.223 -0.503 19766 999 1 2 . 1 1 63 63 ARG C C 63 178.566 178.566 178.515 0.051 19766 1000 1 2 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.529 0.553 19766 1001 1 2 . 1 1 63 63 ARG H H 63 9.013 9.013 9.037 -0.024 19766 1002 1 2 . 1 1 64 64 SER N N 64 115.216 115.216 114.977 0.239 19766 1003 1 2 . 1 1 64 64 SER HA H 64 3.746 3.746 4.240 -0.494 19766 1004 1 2 . 1 1 64 64 SER C C 64 175.695 175.695 175.725 -0.030 19766 1005 1 2 . 1 1 64 64 SER CA C 64 63.651 63.651 60.639 3.012 19766 1006 1 2 . 1 1 64 64 SER H H 64 8.207 8.207 7.703 0.504 19766 1007 1 2 . 1 1 65 65 THR N N 65 111.402 111.402 119.618 -8.216 19766 1008 1 2 . 1 1 65 65 THR HA H 65 3.785 3.785 3.833 -0.048 19766 1009 1 2 . 1 1 65 65 THR C C 65 175.556 175.556 176.576 -1.020 19766 1010 1 2 . 1 1 65 65 THR CA C 65 66.178 66.178 67.302 -1.124 19766 1011 1 2 . 1 1 65 65 THR CB C 65 68.414 68.414 68.735 -0.321 19766 1012 1 2 . 1 1 65 65 THR H H 65 7.640 7.640 7.438 0.202 19766 1013 1 2 . 1 1 66 66 ILE N N 66 122.905 122.905 121.620 1.285 19766 1014 1 2 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.908 -0.206 19766 1015 1 2 . 1 1 66 66 ILE C C 66 177.292 177.292 177.750 -0.458 19766 1016 1 2 . 1 1 66 66 ILE CA C 66 64.254 64.254 64.934 -0.680 19766 1017 1 2 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.639 0.760 19766 1018 1 2 . 1 1 66 66 ILE H H 66 6.702 6.702 8.009 -1.307 19766 1019 1 2 . 1 1 67 67 LEU N N 67 114.425 114.425 121.112 -6.687 19766 1020 1 2 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.866 -0.136 19766 1021 1 2 . 1 1 67 67 LEU C C 67 179.641 179.641 178.046 1.595 19766 1022 1 2 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.844 -0.257 19766 1023 1 2 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.329 0.353 19766 1024 1 2 . 1 1 67 67 LEU H H 67 6.975 6.975 7.568 -0.593 19766 1025 1 2 . 1 1 68 68 ALA N N 68 120.639 120.639 121.081 -0.442 19766 1026 1 2 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.250 0.185 19766 1027 1 2 . 1 1 68 68 ALA C C 68 179.087 179.087 179.837 -0.750 19766 1028 1 2 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.817 0.919 19766 1029 1 2 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.195 0.818 19766 1030 1 2 . 1 1 68 68 ALA H H 68 8.225 8.225 7.450 0.775 19766 1031 1 2 . 1 1 69 69 VAL N N 69 118.866 118.866 116.838 2.028 19766 1032 1 2 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.615 -0.376 19766 1033 1 2 . 1 1 69 69 VAL C C 69 178.798 178.798 177.428 1.370 19766 1034 1 2 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.317 0.708 19766 1035 1 2 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.749 0.088 19766 1036 1 2 . 1 1 69 69 VAL H H 69 8.162 8.162 7.564 0.598 19766 1037 1 2 . 1 1 70 70 ASP N N 70 117.230 117.230 117.267 -0.037 19766 1038 1 2 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.560 -0.506 19766 1039 1 2 . 1 1 70 70 ASP C C 70 178.297 178.297 177.160 1.137 19766 1040 1 2 . 1 1 70 70 ASP CA C 70 57.269 57.269 55.875 1.394 19766 1041 1 2 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.594 -1.972 19766 1042 1 2 . 1 1 70 70 ASP H H 70 8.262 8.262 7.730 0.532 19766 1043 1 2 . 1 1 71 71 ASN N N 71 111.214 111.214 116.705 -5.491 19766 1044 1 2 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.616 0.247 19766 1045 1 2 . 1 1 71 71 ASN C C 71 176.614 176.614 176.199 0.415 19766 1046 1 2 . 1 1 71 71 ASN CA C 71 55.601 55.601 55.183 0.418 19766 1047 1 2 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.724 1.876 19766 1048 1 2 . 1 1 71 71 ASN H H 71 7.541 7.541 7.559 -0.018 19766 1049 1 2 . 1 1 72 72 LEU N N 72 116.127 116.127 119.623 -3.496 19766 1050 1 2 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.105 0.544 19766 1051 1 2 . 1 1 72 72 LEU C C 72 177.465 177.465 176.209 1.256 19766 1052 1 2 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.062 -0.711 19766 1053 1 2 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.268 0.280 19766 1054 1 2 . 1 1 72 72 LEU H H 72 8.323 8.323 7.466 0.857 19766 1055 1 2 . 1 1 73 73 ASN N N 73 118.792 118.792 116.847 1.945 19766 1056 1 2 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.587 -0.176 19766 1057 1 2 . 1 1 73 73 ASN C C 73 177.085 177.085 176.240 0.845 19766 1058 1 2 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.770 1.784 19766 1059 1 2 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.221 1.237 19766 1060 1 2 . 1 1 73 73 ASN H H 73 6.965 6.965 7.430 -0.465 19766 1061 1 2 . 1 1 74 74 GLY N N 74 115.779 115.779 114.378 1.401 19766 1062 1 2 . 1 1 74 74 GLY C C 74 172.848 172.848 173.893 -1.045 19766 1063 1 2 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.947 0.812 19766 1064 1 2 . 1 1 74 74 GLY H H 74 9.389 9.389 8.796 0.593 19766 1065 1 2 . 1 1 75 75 PHE N N 75 123.194 123.194 122.938 0.256 19766 1066 1 2 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.380 -0.093 19766 1067 1 2 . 1 1 75 75 PHE C C 75 174.778 174.778 174.359 0.419 19766 1068 1 2 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.414 0.459 19766 1069 1 2 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.247 1.355 19766 1070 1 2 . 1 1 75 75 PHE H H 75 8.133 8.133 7.864 0.269 19766 1071 1 2 . 1 1 76 76 LYS N N 76 127.364 127.364 128.145 -0.781 19766 1072 1 2 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.525 0.146 19766 1073 1 2 . 1 1 76 76 LYS C C 76 175.286 175.286 175.719 -0.433 19766 1074 1 2 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.695 0.557 19766 1075 1 2 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.490 0.711 19766 1076 1 2 . 1 1 76 76 LYS H H 76 7.596 7.596 7.874 -0.278 19766 1077 1 2 . 1 1 77 77 ILE N N 77 120.094 120.094 128.245 -8.151 19766 1078 1 2 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.247 0.111 19766 1079 1 2 . 1 1 77 77 ILE C C 77 177.519 177.519 175.800 1.719 19766 1080 1 2 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.886 -0.383 19766 1081 1 2 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.005 1.631 19766 1082 1 2 . 1 1 77 77 ILE H H 77 8.004 8.004 9.116 -1.112 19766 1083 1 2 . 1 1 78 78 GLY N N 78 119.932 119.932 116.219 3.713 19766 1084 1 2 . 1 1 78 78 GLY C C 78 175.944 175.944 175.085 0.859 19766 1085 1 2 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.103 2.116 19766 1086 1 2 . 1 1 78 78 GLY H H 78 10.183 10.183 8.992 1.191 19766 1087 1 2 . 1 1 79 79 GLY N N 79 104.505 104.505 104.724 -0.219 19766 1088 1 2 . 1 1 79 79 GLY C C 79 173.347 173.347 174.261 -0.914 19766 1089 1 2 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.783 0.309 19766 1090 1 2 . 1 1 79 79 GLY H H 79 8.892 8.892 8.313 0.579 19766 1091 1 2 . 1 1 80 80 ARG N N 80 119.144 119.144 122.004 -2.860 19766 1092 1 2 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.581 0.085 19766 1093 1 2 . 1 1 80 80 ARG C C 80 174.693 174.693 174.125 0.568 19766 1094 1 2 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.544 0.134 19766 1095 1 2 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.463 0.944 19766 1096 1 2 . 1 1 80 80 ARG H H 80 7.281 7.281 7.566 -0.285 19766 1097 1 2 . 1 1 81 81 ALA N N 81 126.229 126.229 126.923 -0.694 19766 1098 1 2 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.201 -1.000 19766 1099 1 2 . 1 1 81 81 ALA C C 81 176.967 176.967 177.354 -0.387 19766 1100 1 2 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.172 0.957 19766 1101 1 2 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.234 -1.034 19766 1102 1 2 . 1 1 81 81 ALA H H 81 8.673 8.673 8.467 0.206 19766 1103 1 2 . 1 1 82 82 LEU N N 82 125.471 125.471 121.536 3.935 19766 1104 1 2 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.975 -0.551 19766 1105 1 2 . 1 1 82 82 LEU C C 82 177.436 177.436 176.038 1.398 19766 1106 1 2 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.686 1.464 19766 1107 1 2 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.734 0.539 19766 1108 1 2 . 1 1 82 82 LEU H H 82 8.702 8.702 8.156 0.546 19766 1109 1 2 . 1 1 83 83 LYS N N 83 123.609 123.609 122.897 0.712 19766 1110 1 2 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.453 -0.448 19766 1111 1 2 . 1 1 83 83 LYS C C 83 174.759 174.759 175.304 -0.545 19766 1112 1 2 . 1 1 83 83 LYS CA C 83 54.785 54.785 53.818 0.967 19766 1113 1 2 . 1 1 83 83 LYS CB C 83 34.446 34.446 35.114 -0.668 19766 1114 1 2 . 1 1 83 83 LYS H H 83 7.853 7.853 8.856 -1.003 19766 1115 1 2 . 1 1 84 84 ILE N N 84 125.547 125.547 128.216 -2.669 19766 1116 1 2 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.549 0.150 19766 1117 1 2 . 1 1 84 84 ILE C C 84 174.989 174.989 175.565 -0.576 19766 1118 1 2 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.131 -1.712 19766 1119 1 2 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.807 -0.440 19766 1120 1 2 . 1 1 84 84 ILE H H 84 8.719 8.719 8.169 0.550 19766 1121 1 2 . 1 1 85 85 ASP N N 85 124.650 124.650 125.860 -1.210 19766 1122 1 2 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.062 -0.058 19766 1123 1 2 . 1 1 85 85 ASP C C 85 175.302 175.302 174.295 1.007 19766 1124 1 2 . 1 1 85 85 ASP CA C 85 52.481 52.481 51.761 0.719 19766 1125 1 2 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.631 0.838 19766 1126 1 2 . 1 1 85 85 ASP H H 85 8.826 8.826 8.986 -0.160 19766 1127 1 2 . 1 1 86 86 HIS N N 86 121.936 121.936 118.325 3.611 19766 1128 1 2 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.335 -0.632 19766 1129 1 2 . 1 1 86 86 HIS C C 86 175.216 175.216 174.728 0.488 19766 1130 1 2 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.484 1.460 19766 1131 1 2 . 1 1 86 86 HIS CB C 86 31.480 31.480 32.204 -0.724 19766 1132 1 2 . 1 1 86 86 HIS H H 86 8.909 8.909 8.720 0.189 19766 1133 1 2 . 1 1 87 87 THR N N 87 116.612 116.612 115.384 1.228 19766 1134 1 2 . 1 1 87 87 THR HA H 87 4.688 4.688 4.973 -0.285 19766 1135 1 2 . 1 1 87 87 THR CA C 87 61.030 61.030 60.909 0.121 19766 1136 1 2 . 1 1 87 87 THR CB C 87 69.903 69.903 71.506 -1.603 19766 1137 1 2 . 1 1 87 87 THR H H 87 8.521 8.521 8.775 -0.254 19766 1138 1 2 . 1 1 88 88 PHE N N 88 123.233 123.233 124.175 -0.942 19766 1139 1 2 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.773 0.521 19766 1140 1 2 . 1 1 88 88 PHE C C 88 176.452 176.452 173.395 3.057 19766 1141 1 2 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.101 -1.168 19766 1142 1 2 . 1 1 88 88 PHE CB C 88 41.113 41.113 42.675 -1.562 19766 1143 1 2 . 1 1 88 88 PHE H H 88 8.145 8.145 8.631 -0.486 19766 1144 1 2 . 1 1 89 89 TYR N N 89 122.872 122.872 122.884 -0.012 19766 1145 1 2 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.820 -0.746 19766 1146 1 2 . 1 1 89 89 TYR C C 89 173.089 173.089 173.371 -0.282 19766 1147 1 2 . 1 1 89 89 TYR CA C 89 57.529 57.529 56.364 1.165 19766 1148 1 2 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.885 -0.077 19766 1149 1 2 . 1 1 89 89 TYR H H 89 8.242 8.242 7.538 0.704 19766 1150 1 2 . 1 1 90 90 ARG N N 90 128.867 128.867 122.330 6.537 19766 1151 1 2 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.215 0.214 19766 1152 1 2 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.345 -1.777 19766 1153 1 2 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.845 1.149 19766 1154 1 2 . 1 1 90 90 ARG H H 90 7.018 7.018 8.488 -1.470 19766 1155 1 2 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.929 0.261 19766 1156 1 2 . 1 1 91 91 PRO C C 91 176.284 176.284 176.330 -0.046 19766 1157 1 2 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.409 0.080 19766 1158 1 2 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.456 1.591 19766 1159 1 2 . 1 1 92 92 LYS N N 92 119.987 119.987 123.571 -3.584 19766 1160 1 2 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.447 0.235 19766 1161 1 2 . 1 1 92 92 LYS CA C 92 54.687 54.687 55.706 -1.019 19766 1162 1 2 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.150 1.909 19766 1163 1 2 . 1 1 92 92 LYS H H 92 8.672 8.672 8.658 0.014 19766 1164 1 2 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.146 0.028 19766 1165 1 2 . 1 1 93 93 ARG C C 93 178.848 178.848 178.519 0.329 19766 1166 1 2 . 1 1 93 93 ARG CA C 93 59.192 59.192 59.096 0.096 19766 1167 1 2 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.934 -0.138 19766 1168 1 2 . 1 1 94 94 SER N N 94 112.252 112.252 112.580 -0.328 19766 1169 1 2 . 1 1 94 94 SER HA H 94 4.266 4.266 4.328 -0.062 19766 1170 1 2 . 1 1 94 94 SER C C 94 175.827 175.827 175.243 0.584 19766 1171 1 2 . 1 1 94 94 SER CA C 94 60.087 60.087 60.605 -0.518 19766 1172 1 2 . 1 1 94 94 SER CB C 94 62.266 62.266 62.764 -0.498 19766 1173 1 2 . 1 1 94 94 SER H H 94 8.353 8.353 8.523 -0.170 19766 1174 1 2 . 1 1 95 95 LEU N N 95 122.261 122.261 120.612 1.649 19766 1175 1 2 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.668 -0.003 19766 1176 1 2 . 1 1 95 95 LEU C C 95 175.444 175.444 177.206 -1.762 19766 1177 1 2 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.726 0.378 19766 1178 1 2 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.821 0.091 19766 1179 1 2 . 1 1 95 95 LEU H H 95 7.229 7.229 7.393 -0.164 19766 1180 1 2 . 1 1 96 96 GLN N N 96 118.873 118.873 120.960 -2.087 19766 1181 1 2 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.253 -0.160 19766 1182 1 2 . 1 1 96 96 GLN C C 96 177.668 177.668 177.729 -0.061 19766 1183 1 2 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.644 1.066 19766 1184 1 2 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.467 0.514 19766 1185 1 2 . 1 1 96 96 GLN H H 96 7.390 7.390 8.314 -0.924 19766 1186 1 2 . 1 1 97 97 LYS N N 97 116.416 116.416 118.688 -2.272 19766 1187 1 2 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.134 -0.017 19766 1188 1 2 . 1 1 97 97 LYS C C 97 179.237 179.237 178.988 0.249 19766 1189 1 2 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.155 1.238 19766 1190 1 2 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.598 -0.082 19766 1191 1 2 . 1 1 97 97 LYS H H 97 8.595 8.595 8.464 0.131 19766 1192 1 2 . 1 1 98 98 TYR N N 98 123.922 123.922 122.430 1.492 19766 1193 1 2 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.126 0.011 19766 1194 1 2 . 1 1 98 98 TYR C C 98 177.309 177.309 177.701 -0.392 19766 1195 1 2 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.044 0.185 19766 1196 1 2 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.385 -1.095 19766 1197 1 2 . 1 1 98 98 TYR H H 98 7.558 7.558 7.725 -0.167 19766 1198 1 2 . 1 1 99 99 TYR N N 99 118.047 118.047 118.301 -0.254 19766 1199 1 2 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.127 0.981 19766 1200 1 2 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.442 -4.544 19766 1201 1 2 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.163 -0.941 19766 1202 1 2 . 1 1 99 99 TYR H H 99 8.624 8.624 8.625 -0.001 19766 1203 1 2 . 1 1 100 100 GLU N N 100 118.804 118.804 118.682 0.122 19766 1204 1 2 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.987 0.079 19766 1205 1 2 . 1 1 100 100 GLU C C 100 178.595 178.595 178.625 -0.030 19766 1206 1 2 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.275 0.210 19766 1207 1 2 . 1 1 100 100 GLU CB C 100 29.795 29.795 28.966 0.829 19766 1208 1 2 . 1 1 100 100 GLU H H 100 8.348 8.348 8.666 -0.318 19766 1209 1 2 . 1 1 101 101 ALA N N 101 123.315 123.315 122.727 0.588 19766 1210 1 2 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.026 0.269 19766 1211 1 2 . 1 1 101 101 ALA C C 101 181.438 181.438 179.482 1.956 19766 1212 1 2 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.923 -0.065 19766 1213 1 2 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.462 0.215 19766 1214 1 2 . 1 1 101 101 ALA H H 101 7.963 7.963 7.646 0.317 19766 1215 1 2 . 1 1 102 102 VAL N N 102 120.092 120.092 118.828 1.264 19766 1216 1 2 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.480 0.297 19766 1217 1 2 . 1 1 102 102 VAL C C 102 176.958 176.958 178.153 -1.195 19766 1218 1 2 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.160 1.245 19766 1219 1 2 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.119 0.717 19766 1220 1 2 . 1 1 102 102 VAL H H 102 8.321 8.321 8.117 0.204 19766 1221 1 2 . 1 1 103 103 LYS N N 103 120.226 120.226 118.104 2.122 19766 1222 1 2 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.042 -0.116 19766 1223 1 2 . 1 1 103 103 LYS C C 103 178.354 178.354 178.820 -0.466 19766 1224 1 2 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.343 0.340 19766 1225 1 2 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.991 0.185 19766 1226 1 2 . 1 1 103 103 LYS H H 103 8.266 8.266 8.265 0.001 19766 1227 1 2 . 1 1 104 104 GLU N N 104 116.521 116.521 119.780 -3.259 19766 1228 1 2 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.022 -0.061 19766 1229 1 2 . 1 1 104 104 GLU C C 104 178.628 178.628 178.738 -0.110 19766 1230 1 2 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.694 -0.584 19766 1231 1 2 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.196 0.529 19766 1232 1 2 . 1 1 104 104 GLU H H 104 8.027 8.027 8.066 -0.039 19766 1233 1 2 . 1 1 105 105 GLU N N 105 118.569 118.569 116.728 1.841 19766 1234 1 2 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.116 -0.216 19766 1235 1 2 . 1 1 105 105 GLU C C 105 178.399 178.399 178.411 -0.012 19766 1236 1 2 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.082 0.183 19766 1237 1 2 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.227 0.546 19766 1238 1 2 . 1 1 105 105 GLU H H 105 7.225 7.225 7.740 -0.515 19766 1239 1 2 . 1 1 106 106 LEU N N 106 116.938 116.938 117.605 -0.667 19766 1240 1 2 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.364 -0.331 19766 1241 1 2 . 1 1 106 106 LEU C C 106 179.770 179.770 178.933 0.837 19766 1242 1 2 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.391 0.534 19766 1243 1 2 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.298 -2.014 19766 1244 1 2 . 1 1 106 106 LEU H H 106 8.273 8.273 7.217 1.056 19766 1245 1 2 . 1 1 107 107 ASP N N 107 119.855 119.855 120.455 -0.600 19766 1246 1 2 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.395 0.153 19766 1247 1 2 . 1 1 107 107 ASP C C 107 177.891 177.891 178.168 -0.277 19766 1248 1 2 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.236 -1.302 19766 1249 1 2 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.711 0.003 19766 1250 1 2 . 1 1 107 107 ASP H H 107 8.286 8.286 8.767 -0.481 19766 1251 1 2 . 1 1 108 108 ARG N N 108 118.853 118.853 116.753 2.100 19766 1252 1 2 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.300 -0.219 19766 1253 1 2 . 1 1 108 108 ARG C C 108 177.325 177.325 177.535 -0.210 19766 1254 1 2 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.974 0.035 19766 1255 1 2 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.503 0.901 19766 1256 1 2 . 1 1 108 108 ARG H H 108 7.406 7.406 7.655 -0.249 19766 1257 1 2 . 1 1 109 109 ASP N N 109 119.636 119.636 117.836 1.800 19766 1258 1 2 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.636 -0.101 19766 1259 1 2 . 1 1 109 109 ASP C C 109 176.758 176.758 177.685 -0.927 19766 1260 1 2 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.576 -0.338 19766 1261 1 2 . 1 1 109 109 ASP CB C 109 40.745 40.745 42.660 -1.915 19766 1262 1 2 . 1 1 109 109 ASP H H 109 7.853 7.853 7.709 0.144 19766 1263 1 2 . 1 1 110 110 ILE N N 110 119.905 119.905 120.605 -0.700 19766 1264 1 2 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.772 0.332 19766 1265 1 2 . 1 1 110 110 ILE C C 110 176.642 176.642 176.900 -0.258 19766 1266 1 2 . 1 1 110 110 ILE CA C 110 61.776 61.776 64.538 -2.762 19766 1267 1 2 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.529 -0.075 19766 1268 1 2 . 1 1 110 110 ILE H H 110 7.623 7.623 7.726 -0.103 19766 1269 1 2 . 1 1 111 111 VAL N N 111 122.938 122.938 121.016 1.922 19766 1270 1 2 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.973 0.105 19766 1271 1 2 . 1 1 111 111 VAL C C 111 176.668 176.668 175.557 1.111 19766 1272 1 2 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.517 0.520 19766 1273 1 2 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.092 0.390 19766 1274 1 2 . 1 1 111 111 VAL H H 111 8.043 8.043 8.047 -0.004 19766 1275 1 2 . 1 1 112 112 SER N N 112 118.345 118.345 122.771 -4.426 19766 1276 1 2 . 1 1 112 112 SER HA H 112 4.417 4.417 4.280 0.137 19766 1277 1 2 . 1 1 112 112 SER C C 112 174.925 174.925 174.870 0.055 19766 1278 1 2 . 1 1 112 112 SER CA C 112 58.848 58.848 60.634 -1.786 19766 1279 1 2 . 1 1 112 112 SER CB C 112 63.551 63.551 63.549 0.002 19766 1280 1 2 . 1 1 112 112 SER H H 112 8.210 8.210 8.451 -0.241 19766 1281 1 2 . 1 1 113 113 LYS N N 113 122.729 122.729 121.119 1.610 19766 1282 1 2 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.384 -0.066 19766 1283 1 2 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.878 0.718 19766 1284 1 2 . 1 1 113 113 LYS CB C 113 32.846 32.846 31.944 0.902 19766 1285 1 2 . 1 1 113 113 LYS H H 113 8.295 8.295 7.800 0.495 19766 1286 1 2 . 1 1 114 114 ASN N N 114 119.243 119.243 121.825 -2.582 19766 1287 1 2 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.697 -0.019 19766 1288 1 2 . 1 1 114 114 ASN CA C 114 53.483 53.483 52.835 0.648 19766 1289 1 2 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.838 -0.980 19766 1290 1 2 . 1 1 114 114 ASN H H 114 8.372 8.372 8.706 -0.334 19766 1291 1 2 . 1 1 115 115 ASN N N 115 119.155 119.155 118.845 0.310 19766 1292 1 2 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.980 -0.298 19766 1293 1 2 . 1 1 115 115 ASN C C 115 174.877 174.877 173.446 1.431 19766 1294 1 2 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.137 0.346 19766 1295 1 2 . 1 1 115 115 ASN CB C 115 38.858 38.858 37.631 1.227 19766 1296 1 2 . 1 1 115 115 ASN H H 115 8.372 8.372 8.760 -0.388 19766 1297 1 2 . 1 1 116 116 ALA N N 116 123.743 123.743 125.711 -1.968 19766 1298 1 2 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.563 -0.234 19766 1299 1 2 . 1 1 116 116 ALA C C 116 177.574 177.574 174.799 2.775 19766 1300 1 2 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.315 0.378 19766 1301 1 2 . 1 1 116 116 ALA CB C 116 19.347 19.347 20.969 -1.622 19766 1302 1 2 . 1 1 116 116 ALA H H 116 8.116 8.116 8.056 0.060 19766 1303 1 2 . 1 1 117 117 GLU N N 117 120.161 120.161 120.629 -0.468 19766 1304 1 2 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.406 -0.133 19766 1305 1 2 . 1 1 117 117 GLU C C 117 175.557 175.557 174.936 0.621 19766 1306 1 2 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.798 -0.139 19766 1307 1 2 . 1 1 117 117 GLU CB C 117 30.154 30.154 31.180 -1.026 19766 1308 1 2 . 1 1 117 117 GLU H H 117 8.220 8.220 8.564 -0.344 19766 1309 1 3 . 1 1 2 2 ALA HA H 2 4.340 4.340 5.178 -0.838 19766 1310 1 3 . 1 1 2 2 ALA C C 2 177.830 177.830 175.775 2.055 19766 1311 1 3 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.941 0.753 19766 1312 1 3 . 1 1 2 2 ALA CB C 2 19.359 19.359 21.235 -1.876 19766 1313 1 3 . 1 1 3 3 MET N N 3 119.580 119.580 121.531 -1.951 19766 1314 1 3 . 1 1 3 3 MET HA H 3 4.482 4.482 4.854 -0.372 19766 1315 1 3 . 1 1 3 3 MET C C 3 176.714 176.714 176.704 0.010 19766 1316 1 3 . 1 1 3 3 MET CA C 3 55.590 55.590 54.405 1.185 19766 1317 1 3 . 1 1 3 3 MET CB C 3 32.922 32.922 34.942 -2.020 19766 1318 1 3 . 1 1 3 3 MET H H 3 8.451 8.451 9.274 -0.823 19766 1319 1 3 . 1 1 4 4 GLY N N 4 109.951 109.951 107.854 2.097 19766 1320 1 3 . 1 1 4 4 GLY C C 4 174.082 174.082 174.072 0.010 19766 1321 1 3 . 1 1 4 4 GLY CA C 4 45.466 45.466 46.011 -0.545 19766 1322 1 3 . 1 1 4 4 GLY H H 4 8.400 8.400 9.032 -0.632 19766 1323 1 3 . 1 1 5 5 ASN N N 5 118.667 118.667 115.350 3.317 19766 1324 1 3 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.531 0.153 19766 1325 1 3 . 1 1 5 5 ASN C C 5 175.489 175.489 175.848 -0.359 19766 1326 1 3 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.292 -0.791 19766 1327 1 3 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.380 0.586 19766 1328 1 3 . 1 1 5 5 ASN H H 5 8.378 8.378 8.613 -0.235 19766 1329 1 3 . 1 1 6 6 GLU N N 6 120.908 120.908 120.209 0.699 19766 1330 1 3 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.076 0.090 19766 1331 1 3 . 1 1 6 6 GLU C C 6 176.336 176.336 175.513 0.823 19766 1332 1 3 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.031 0.238 19766 1333 1 3 . 1 1 6 6 GLU CB C 6 29.736 29.736 28.974 0.762 19766 1334 1 3 . 1 1 6 6 GLU H H 6 8.620 8.620 8.424 0.196 19766 1335 1 3 . 1 1 7 7 TYR N N 7 120.339 120.339 120.516 -0.177 19766 1336 1 3 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.726 -0.226 19766 1337 1 3 . 1 1 7 7 TYR C C 7 175.808 175.808 175.469 0.339 19766 1338 1 3 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.305 1.846 19766 1339 1 3 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.072 0.122 19766 1340 1 3 . 1 1 7 7 TYR H H 7 8.045 8.045 7.874 0.171 19766 1341 1 3 . 1 1 8 8 LYS N N 8 121.700 121.700 122.873 -1.173 19766 1342 1 3 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.178 -0.028 19766 1343 1 3 . 1 1 8 8 LYS C C 8 175.868 175.868 176.574 -0.706 19766 1344 1 3 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.447 0.115 19766 1345 1 3 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.658 0.500 19766 1346 1 3 . 1 1 8 8 LYS H H 8 7.829 7.829 8.332 -0.503 19766 1347 1 3 . 1 1 9 9 ASP N N 9 119.811 119.811 117.245 2.566 19766 1348 1 3 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.595 0.043 19766 1349 1 3 . 1 1 9 9 ASP C C 9 175.972 175.972 176.132 -0.160 19766 1350 1 3 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.680 -0.056 19766 1351 1 3 . 1 1 9 9 ASP CB C 9 41.539 41.539 41.001 0.538 19766 1352 1 3 . 1 1 9 9 ASP H H 9 8.137 8.137 8.422 -0.285 19766 1353 1 3 . 1 1 10 10 ASN N N 10 119.794 119.794 120.417 -0.623 19766 1354 1 3 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.660 0.312 19766 1355 1 3 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.667 -0.822 19766 1356 1 3 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.898 -0.139 19766 1357 1 3 . 1 1 10 10 ASN H H 10 8.292 8.292 7.600 0.692 19766 1358 1 3 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.341 0.262 19766 1359 1 3 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.770 -0.521 19766 1360 1 3 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.430 -0.242 19766 1361 1 3 . 1 1 12 12 TYR N N 12 118.889 118.889 119.502 -0.613 19766 1362 1 3 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.331 -0.187 19766 1363 1 3 . 1 1 12 12 TYR C C 12 177.773 177.773 175.878 1.895 19766 1364 1 3 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.989 -1.806 19766 1365 1 3 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.198 3.384 19766 1366 1 3 . 1 1 12 12 TYR H H 12 8.057 8.057 8.153 -0.096 19766 1367 1 3 . 1 1 13 13 ILE N N 13 112.765 112.765 119.095 -6.330 19766 1368 1 3 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.129 0.025 19766 1369 1 3 . 1 1 13 13 ILE C C 13 174.312 174.312 174.494 -0.182 19766 1370 1 3 . 1 1 13 13 ILE CA C 13 60.036 60.036 58.970 1.066 19766 1371 1 3 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.662 -1.766 19766 1372 1 3 . 1 1 13 13 ILE H H 13 9.310 9.310 9.310 0.000 19766 1373 1 3 . 1 1 14 14 TYR N N 14 124.417 124.417 126.927 -2.510 19766 1374 1 3 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.896 -0.189 19766 1375 1 3 . 1 1 14 14 TYR C C 14 173.058 173.058 173.730 -0.672 19766 1376 1 3 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.156 -0.944 19766 1377 1 3 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.872 0.347 19766 1378 1 3 . 1 1 14 14 TYR H H 14 9.252 9.252 9.100 0.152 19766 1379 1 3 . 1 1 15 15 ILE N N 15 127.660 127.660 127.937 -0.277 19766 1380 1 3 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.867 -0.602 19766 1381 1 3 . 1 1 15 15 ILE C C 15 173.705 173.705 174.398 -0.693 19766 1382 1 3 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.578 -0.092 19766 1383 1 3 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.428 0.573 19766 1384 1 3 . 1 1 15 15 ILE H H 15 8.558 8.558 8.596 -0.038 19766 1385 1 3 . 1 1 16 16 GLY N N 16 112.792 112.792 112.412 0.380 19766 1386 1 3 . 1 1 16 16 GLY C C 16 173.110 173.110 172.937 0.173 19766 1387 1 3 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.954 0.295 19766 1388 1 3 . 1 1 16 16 GLY H H 16 9.516 9.516 8.815 0.701 19766 1389 1 3 . 1 1 17 17 ASN N N 17 115.139 115.139 117.098 -1.959 19766 1390 1 3 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.168 0.228 19766 1391 1 3 . 1 1 17 17 ASN C C 17 174.854 174.854 174.101 0.753 19766 1392 1 3 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.699 -0.463 19766 1393 1 3 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.724 0.209 19766 1394 1 3 . 1 1 17 17 ASN H H 17 8.511 8.511 8.339 0.172 19766 1395 1 3 . 1 1 18 18 LEU N N 18 114.660 114.660 119.132 -4.472 19766 1396 1 3 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.493 -0.457 19766 1397 1 3 . 1 1 18 18 LEU C C 18 178.161 178.161 175.973 2.188 19766 1398 1 3 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.666 0.218 19766 1399 1 3 . 1 1 18 18 LEU CB C 18 42.562 42.562 44.017 -1.455 19766 1400 1 3 . 1 1 18 18 LEU H H 18 7.839 7.839 7.510 0.329 19766 1401 1 3 . 1 1 19 19 ASN N N 19 122.707 122.707 119.242 3.465 19766 1402 1 3 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.592 -0.229 19766 1403 1 3 . 1 1 19 19 ASN C C 19 178.037 178.037 176.669 1.368 19766 1404 1 3 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.455 1.149 19766 1405 1 3 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.740 -0.928 19766 1406 1 3 . 1 1 19 19 ASN H H 19 8.779 8.779 8.600 0.179 19766 1407 1 3 . 1 1 20 20 ARG N N 20 128.724 128.724 121.194 7.530 19766 1408 1 3 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.021 -0.168 19766 1409 1 3 . 1 1 20 20 ARG C C 20 175.612 175.612 176.200 -0.588 19766 1410 1 3 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.596 0.178 19766 1411 1 3 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.141 -0.457 19766 1412 1 3 . 1 1 20 20 ARG H H 20 8.954 8.954 8.851 0.103 19766 1413 1 3 . 1 1 21 21 GLU N N 21 117.609 117.609 115.634 1.975 19766 1414 1 3 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.235 0.038 19766 1415 1 3 . 1 1 21 21 GLU C C 21 177.285 177.285 176.216 1.069 19766 1416 1 3 . 1 1 21 21 GLU CA C 21 56.782 56.782 55.797 0.985 19766 1417 1 3 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.784 1.714 19766 1418 1 3 . 1 1 21 21 GLU H H 21 9.092 9.092 8.273 0.819 19766 1419 1 3 . 1 1 22 22 LEU N N 22 116.169 116.169 123.078 -6.909 19766 1420 1 3 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.508 0.048 19766 1421 1 3 . 1 1 22 22 LEU C C 22 178.328 178.328 176.098 2.230 19766 1422 1 3 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.375 1.281 19766 1423 1 3 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.576 0.650 19766 1424 1 3 . 1 1 22 22 LEU H H 22 7.208 7.208 7.455 -0.247 19766 1425 1 3 . 1 1 23 23 THR N N 23 113.733 113.733 117.713 -3.980 19766 1426 1 3 . 1 1 23 23 THR HA H 23 4.349 4.349 4.641 -0.292 19766 1427 1 3 . 1 1 23 23 THR C C 23 175.225 175.225 175.190 0.035 19766 1428 1 3 . 1 1 23 23 THR CA C 23 59.960 59.960 59.415 0.545 19766 1429 1 3 . 1 1 23 23 THR CB C 23 72.172 72.172 70.672 1.500 19766 1430 1 3 . 1 1 23 23 THR H H 23 8.732 8.732 8.150 0.582 19766 1431 1 3 . 1 1 24 24 GLU N N 24 119.838 119.838 122.196 -2.358 19766 1432 1 3 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.009 -0.352 19766 1433 1 3 . 1 1 24 24 GLU C C 24 178.983 178.983 179.012 -0.029 19766 1434 1 3 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.759 2.812 19766 1435 1 3 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.147 -1.801 19766 1436 1 3 . 1 1 24 24 GLU H H 24 9.761 9.761 9.020 0.741 19766 1437 1 3 . 1 1 25 25 GLY N N 25 104.462 104.462 106.178 -1.716 19766 1438 1 3 . 1 1 25 25 GLY C C 25 175.139 175.139 175.730 -0.591 19766 1439 1 3 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.618 0.987 19766 1440 1 3 . 1 1 25 25 GLY H H 25 8.486 8.486 8.528 -0.042 19766 1441 1 3 . 1 1 26 26 ASP N N 26 123.296 123.296 123.292 0.004 19766 1442 1 3 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.504 0.066 19766 1443 1 3 . 1 1 26 26 ASP C C 26 178.135 178.135 178.307 -0.172 19766 1444 1 3 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.922 0.890 19766 1445 1 3 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.058 0.827 19766 1446 1 3 . 1 1 26 26 ASP H H 26 7.960 7.960 7.635 0.325 19766 1447 1 3 . 1 1 27 27 ILE N N 27 118.853 118.853 120.811 -1.958 19766 1448 1 3 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.772 -0.165 19766 1449 1 3 . 1 1 27 27 ILE C C 27 178.424 178.424 178.212 0.212 19766 1450 1 3 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.150 0.591 19766 1451 1 3 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.896 -0.184 19766 1452 1 3 . 1 1 27 27 ILE H H 27 8.159 8.159 7.609 0.550 19766 1453 1 3 . 1 1 28 28 LEU N N 28 118.549 118.549 119.667 -1.118 19766 1454 1 3 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.943 -0.039 19766 1455 1 3 . 1 1 28 28 LEU C C 28 180.057 180.057 179.348 0.709 19766 1456 1 3 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.260 0.271 19766 1457 1 3 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.253 0.692 19766 1458 1 3 . 1 1 28 28 LEU H H 28 8.414 8.414 8.208 0.206 19766 1459 1 3 . 1 1 29 29 THR N N 29 122.156 122.156 115.073 7.083 19766 1460 1 3 . 1 1 29 29 THR HA H 29 4.032 4.032 4.029 0.003 19766 1461 1 3 . 1 1 29 29 THR C C 29 175.113 175.113 176.395 -1.282 19766 1462 1 3 . 1 1 29 29 THR CA C 29 66.754 66.754 66.351 0.403 19766 1463 1 3 . 1 1 29 29 THR CB C 29 68.490 68.490 68.830 -0.340 19766 1464 1 3 . 1 1 29 29 THR H H 29 8.715 8.715 8.012 0.703 19766 1465 1 3 . 1 1 30 30 VAL N N 30 116.487 116.487 116.440 0.047 19766 1466 1 3 . 1 1 30 30 VAL HA H 30 3.831 3.831 4.019 -0.188 19766 1467 1 3 . 1 1 30 30 VAL C C 30 179.968 179.968 177.813 2.155 19766 1468 1 3 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.776 0.739 19766 1469 1 3 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.452 1.592 19766 1470 1 3 . 1 1 30 30 VAL H H 30 7.713 7.713 7.798 -0.085 19766 1471 1 3 . 1 1 31 31 PHE N N 31 113.658 113.658 120.093 -6.435 19766 1472 1 3 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.667 -0.800 19766 1473 1 3 . 1 1 31 31 PHE C C 31 179.577 179.577 178.456 1.121 19766 1474 1 3 . 1 1 31 31 PHE CA C 31 62.403 62.403 61.038 1.365 19766 1475 1 3 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.725 -1.412 19766 1476 1 3 . 1 1 31 31 PHE H H 31 8.876 8.876 9.103 -0.227 19766 1477 1 3 . 1 1 32 32 SER N N 32 118.635 118.635 115.747 2.888 19766 1478 1 3 . 1 1 32 32 SER HA H 32 5.381 5.381 4.668 0.713 19766 1479 1 3 . 1 1 32 32 SER C C 32 172.662 172.662 176.322 -3.660 19766 1480 1 3 . 1 1 32 32 SER CA C 32 61.338 61.338 60.239 1.099 19766 1481 1 3 . 1 1 32 32 SER CB C 32 63.875 63.875 62.585 1.290 19766 1482 1 3 . 1 1 32 32 SER H H 32 8.106 8.106 8.393 -0.287 19766 1483 1 3 . 1 1 33 33 GLU N N 33 121.234 121.234 121.549 -0.315 19766 1484 1 3 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.137 -1.980 19766 1485 1 3 . 1 1 33 33 GLU C C 33 174.223 174.223 177.422 -3.199 19766 1486 1 3 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.141 1.499 19766 1487 1 3 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.805 -1.974 19766 1488 1 3 . 1 1 33 33 GLU H H 33 6.964 6.964 7.773 -0.809 19766 1489 1 3 . 1 1 34 34 TYR N N 34 107.930 107.930 117.525 -9.595 19766 1490 1 3 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.522 -0.369 19766 1491 1 3 . 1 1 34 34 TYR C C 34 173.208 173.208 175.128 -1.920 19766 1492 1 3 . 1 1 34 34 TYR CA C 34 57.329 57.329 58.085 -0.756 19766 1493 1 3 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.382 -0.504 19766 1494 1 3 . 1 1 34 34 TYR H H 34 6.229 6.229 7.866 -1.637 19766 1495 1 3 . 1 1 35 35 GLY N N 35 103.542 103.542 105.967 -2.425 19766 1496 1 3 . 1 1 35 35 GLY C C 35 170.379 170.379 172.358 -1.979 19766 1497 1 3 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.765 -0.086 19766 1498 1 3 . 1 1 35 35 GLY H H 35 7.257 7.257 7.238 0.019 19766 1499 1 3 . 1 1 36 36 VAL N N 36 120.446 120.446 121.598 -1.152 19766 1500 1 3 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.579 -0.075 19766 1501 1 3 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.186 0.529 19766 1502 1 3 . 1 1 36 36 VAL CB C 36 34.031 34.031 32.453 1.578 19766 1503 1 3 . 1 1 36 36 VAL H H 36 8.438 8.438 8.376 0.062 19766 1504 1 3 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.180 0.523 19766 1505 1 3 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.400 -0.026 19766 1506 1 3 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.451 0.620 19766 1507 1 3 . 1 1 38 38 VAL N N 38 113.929 113.929 117.746 -3.817 19766 1508 1 3 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.195 0.287 19766 1509 1 3 . 1 1 38 38 VAL CA C 38 60.454 60.454 61.919 -1.465 19766 1510 1 3 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.984 -0.480 19766 1511 1 3 . 1 1 38 38 VAL H H 38 8.966 8.966 8.643 0.323 19766 1512 1 3 . 1 1 39 39 ASP N N 39 118.213 118.213 118.377 -0.164 19766 1513 1 3 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.862 -0.187 19766 1514 1 3 . 1 1 39 39 ASP C C 39 174.637 174.637 173.556 1.081 19766 1515 1 3 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.197 0.491 19766 1516 1 3 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.301 -0.494 19766 1517 1 3 . 1 1 39 39 ASP H H 39 7.500 7.500 7.749 -0.249 19766 1518 1 3 . 1 1 40 40 VAL N N 40 121.576 121.576 123.116 -1.540 19766 1519 1 3 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.887 0.104 19766 1520 1 3 . 1 1 40 40 VAL C C 40 170.562 170.562 173.116 -2.554 19766 1521 1 3 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.062 0.296 19766 1522 1 3 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.879 -0.660 19766 1523 1 3 . 1 1 40 40 VAL H H 40 7.657 7.657 8.524 -0.867 19766 1524 1 3 . 1 1 41 41 ILE N N 41 125.384 125.384 121.649 3.735 19766 1525 1 3 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.568 0.250 19766 1526 1 3 . 1 1 41 41 ILE C C 41 175.425 175.425 172.641 2.784 19766 1527 1 3 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.247 2.243 19766 1528 1 3 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.349 1.207 19766 1529 1 3 . 1 1 41 41 ILE H H 41 8.901 8.901 8.810 0.091 19766 1530 1 3 . 1 1 42 42 LEU N N 42 128.888 128.888 125.788 3.100 19766 1531 1 3 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.838 -0.377 19766 1532 1 3 . 1 1 42 42 LEU C C 42 174.934 174.934 175.536 -0.602 19766 1533 1 3 . 1 1 42 42 LEU CA C 42 53.377 53.377 52.860 0.517 19766 1534 1 3 . 1 1 42 42 LEU CB C 42 43.539 43.539 45.129 -1.590 19766 1535 1 3 . 1 1 42 42 LEU H H 42 8.344 8.344 8.955 -0.611 19766 1536 1 3 . 1 1 43 43 SER N N 43 122.818 122.818 121.326 1.492 19766 1537 1 3 . 1 1 43 43 SER HA H 43 3.876 3.876 4.491 -0.615 19766 1538 1 3 . 1 1 43 43 SER C C 43 173.869 173.869 173.115 0.754 19766 1539 1 3 . 1 1 43 43 SER CA C 43 59.688 59.688 57.971 1.717 19766 1540 1 3 . 1 1 43 43 SER CB C 43 62.673 62.673 63.171 -0.498 19766 1541 1 3 . 1 1 43 43 SER H H 43 8.362 8.362 9.069 -0.707 19766 1542 1 3 . 1 1 44 44 ARG N N 44 128.045 128.045 127.294 0.751 19766 1543 1 3 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.900 -0.071 19766 1544 1 3 . 1 1 44 44 ARG C C 44 175.031 175.031 175.563 -0.532 19766 1545 1 3 . 1 1 44 44 ARG CA C 44 54.062 54.062 54.284 -0.222 19766 1546 1 3 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.371 0.927 19766 1547 1 3 . 1 1 44 44 ARG H H 44 8.079 8.079 7.694 0.385 19766 1548 1 3 . 1 1 45 45 ASP N N 45 123.491 123.491 122.623 0.868 19766 1549 1 3 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.407 -0.170 19766 1550 1 3 . 1 1 45 45 ASP C C 45 177.487 177.487 176.890 0.597 19766 1551 1 3 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.974 -0.057 19766 1552 1 3 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.516 1.095 19766 1553 1 3 . 1 1 45 45 ASP H H 45 8.663 8.663 8.653 0.010 19766 1554 1 3 . 1 1 46 46 GLU N N 46 125.446 125.446 124.930 0.516 19766 1555 1 3 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.066 -0.159 19766 1556 1 3 . 1 1 46 46 GLU C C 46 175.655 175.655 176.325 -0.670 19766 1557 1 3 . 1 1 46 46 GLU CA C 46 58.873 58.873 57.648 1.224 19766 1558 1 3 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.743 -0.089 19766 1559 1 3 . 1 1 46 46 GLU H H 46 9.007 9.007 8.768 0.239 19766 1560 1 3 . 1 1 47 47 ASN N N 47 115.343 115.343 116.780 -1.437 19766 1561 1 3 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.710 0.174 19766 1562 1 3 . 1 1 47 47 ASN C C 47 176.665 176.665 176.598 0.067 19766 1563 1 3 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.861 0.078 19766 1564 1 3 . 1 1 47 47 ASN CB C 47 40.230 40.230 40.370 -0.140 19766 1565 1 3 . 1 1 47 47 ASN H H 47 8.947 8.947 8.465 0.482 19766 1566 1 3 . 1 1 48 48 THR N N 48 107.604 107.604 112.496 -4.892 19766 1567 1 3 . 1 1 48 48 THR HA H 48 4.468 4.468 4.566 -0.098 19766 1568 1 3 . 1 1 48 48 THR C C 48 176.465 176.465 175.179 1.286 19766 1569 1 3 . 1 1 48 48 THR CA C 48 61.555 61.555 62.132 -0.577 19766 1570 1 3 . 1 1 48 48 THR CB C 48 71.342 71.342 70.447 0.895 19766 1571 1 3 . 1 1 48 48 THR H H 48 8.450 8.450 8.953 -0.503 19766 1572 1 3 . 1 1 49 49 GLY N N 49 111.809 111.809 110.246 1.563 19766 1573 1 3 . 1 1 49 49 GLY C C 49 173.193 173.193 173.127 0.066 19766 1574 1 3 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.453 0.270 19766 1575 1 3 . 1 1 49 49 GLY H H 49 8.632 8.632 7.931 0.701 19766 1576 1 3 . 1 1 50 50 GLU N N 50 120.089 120.089 119.112 0.977 19766 1577 1 3 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.289 -0.156 19766 1578 1 3 . 1 1 50 50 GLU C C 50 176.586 176.586 175.926 0.660 19766 1579 1 3 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.752 1.780 19766 1580 1 3 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.309 0.774 19766 1581 1 3 . 1 1 50 50 GLU H H 50 7.825 7.825 7.692 0.133 19766 1582 1 3 . 1 1 51 51 SER N N 51 115.686 115.686 117.630 -1.944 19766 1583 1 3 . 1 1 51 51 SER HA H 51 4.273 4.273 4.328 -0.055 19766 1584 1 3 . 1 1 51 51 SER C C 51 176.516 176.516 174.762 1.754 19766 1585 1 3 . 1 1 51 51 SER CA C 51 58.415 58.415 58.686 -0.271 19766 1586 1 3 . 1 1 51 51 SER CB C 51 64.668 64.668 63.452 1.216 19766 1587 1 3 . 1 1 51 51 SER H H 51 8.871 8.871 8.937 -0.066 19766 1588 1 3 . 1 1 52 52 GLN N N 52 123.284 123.284 125.339 -2.055 19766 1589 1 3 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.347 0.144 19766 1590 1 3 . 1 1 52 52 GLN C C 52 177.471 177.471 176.749 0.722 19766 1591 1 3 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.799 -0.652 19766 1592 1 3 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.459 0.421 19766 1593 1 3 . 1 1 52 52 GLN H H 52 9.103 9.103 8.892 0.211 19766 1594 1 3 . 1 1 53 53 GLY N N 53 105.865 105.865 107.857 -1.992 19766 1595 1 3 . 1 1 53 53 GLY C C 53 172.010 172.010 172.807 -0.797 19766 1596 1 3 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.489 1.156 19766 1597 1 3 . 1 1 53 53 GLY H H 53 8.888 8.888 7.715 1.173 19766 1598 1 3 . 1 1 54 54 PHE N N 54 112.097 112.097 118.665 -6.568 19766 1599 1 3 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.292 0.054 19766 1600 1 3 . 1 1 54 54 PHE C C 54 171.548 171.548 173.278 -1.730 19766 1601 1 3 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.981 -0.310 19766 1602 1 3 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.731 -2.051 19766 1603 1 3 . 1 1 54 54 PHE H H 54 6.879 6.879 7.267 -0.388 19766 1604 1 3 . 1 1 55 55 ALA N N 55 122.332 122.332 122.049 0.283 19766 1605 1 3 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.929 0.194 19766 1606 1 3 . 1 1 55 55 ALA C C 55 173.074 173.074 174.530 -1.456 19766 1607 1 3 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.698 -1.169 19766 1608 1 3 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.784 2.955 19766 1609 1 3 . 1 1 55 55 ALA H H 55 9.051 9.051 8.907 0.144 19766 1610 1 3 . 1 1 56 56 TYR N N 56 115.022 115.022 116.147 -1.125 19766 1611 1 3 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.867 -0.193 19766 1612 1 3 . 1 1 56 56 TYR C C 56 175.292 175.292 174.144 1.148 19766 1613 1 3 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.843 -1.262 19766 1614 1 3 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.129 -0.782 19766 1615 1 3 . 1 1 56 56 TYR H H 56 9.007 9.007 9.058 -0.051 19766 1616 1 3 . 1 1 57 57 LEU N N 57 122.695 122.695 121.473 1.222 19766 1617 1 3 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.050 -0.291 19766 1618 1 3 . 1 1 57 57 LEU C C 57 172.173 172.173 174.067 -1.894 19766 1619 1 3 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.722 1.094 19766 1620 1 3 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.286 0.620 19766 1621 1 3 . 1 1 57 57 LEU H H 57 8.648 8.648 9.050 -0.402 19766 1622 1 3 . 1 1 58 58 LYS N N 58 125.954 125.954 122.234 3.720 19766 1623 1 3 . 1 1 58 58 LYS HA H 58 4.465 4.465 5.137 -0.672 19766 1624 1 3 . 1 1 58 58 LYS C C 58 174.900 174.900 174.985 -0.085 19766 1625 1 3 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.389 0.234 19766 1626 1 3 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.773 0.773 19766 1627 1 3 . 1 1 58 58 LYS H H 58 7.948 7.948 8.688 -0.740 19766 1628 1 3 . 1 1 59 59 TYR N N 59 126.396 126.396 124.614 1.782 19766 1629 1 3 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.633 0.467 19766 1630 1 3 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.036 -0.062 19766 1631 1 3 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.864 2.634 19766 1632 1 3 . 1 1 59 59 TYR H H 59 9.007 9.007 8.352 0.655 19766 1633 1 3 . 1 1 60 60 GLU N N 60 120.848 120.848 120.050 0.798 19766 1634 1 3 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.060 -0.187 19766 1635 1 3 . 1 1 60 60 GLU C C 60 175.081 175.081 175.856 -0.775 19766 1636 1 3 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.548 0.505 19766 1637 1 3 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.475 0.392 19766 1638 1 3 . 1 1 60 60 GLU H H 60 8.973 8.973 8.757 0.216 19766 1639 1 3 . 1 1 61 61 ASP N N 61 117.604 117.604 117.347 0.257 19766 1640 1 3 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.788 0.078 19766 1641 1 3 . 1 1 61 61 ASP C C 61 176.598 176.598 176.778 -0.180 19766 1642 1 3 . 1 1 61 61 ASP CA C 61 51.112 51.112 52.892 -1.780 19766 1643 1 3 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.057 0.367 19766 1644 1 3 . 1 1 61 61 ASP H H 61 8.017 8.017 8.090 -0.073 19766 1645 1 3 . 1 1 62 62 GLN N N 62 126.427 126.427 124.986 1.441 19766 1646 1 3 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.284 -0.014 19766 1647 1 3 . 1 1 62 62 GLN C C 62 178.514 178.514 177.076 1.438 19766 1648 1 3 . 1 1 62 62 GLN CA C 62 58.505 58.505 57.871 0.634 19766 1649 1 3 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.325 -0.352 19766 1650 1 3 . 1 1 62 62 GLN H H 62 9.007 9.007 8.897 0.110 19766 1651 1 3 . 1 1 63 63 ARG N N 63 121.369 121.369 120.887 0.482 19766 1652 1 3 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.087 -0.367 19766 1653 1 3 . 1 1 63 63 ARG C C 63 178.566 178.566 178.626 -0.060 19766 1654 1 3 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.466 0.616 19766 1655 1 3 . 1 1 63 63 ARG H H 63 9.013 9.013 9.293 -0.280 19766 1656 1 3 . 1 1 64 64 SER N N 64 115.216 115.216 113.423 1.793 19766 1657 1 3 . 1 1 64 64 SER HA H 64 3.746 3.746 4.148 -0.402 19766 1658 1 3 . 1 1 64 64 SER C C 64 175.695 175.695 175.895 -0.200 19766 1659 1 3 . 1 1 64 64 SER CA C 64 63.651 63.651 60.862 2.789 19766 1660 1 3 . 1 1 64 64 SER H H 64 8.207 8.207 7.727 0.480 19766 1661 1 3 . 1 1 65 65 THR N N 65 111.402 111.402 119.934 -8.532 19766 1662 1 3 . 1 1 65 65 THR HA H 65 3.785 3.785 4.149 -0.364 19766 1663 1 3 . 1 1 65 65 THR C C 65 175.556 175.556 176.432 -0.876 19766 1664 1 3 . 1 1 65 65 THR CA C 65 66.178 66.178 67.338 -1.160 19766 1665 1 3 . 1 1 65 65 THR CB C 65 68.414 68.414 68.772 -0.358 19766 1666 1 3 . 1 1 65 65 THR H H 65 7.640 7.640 7.239 0.401 19766 1667 1 3 . 1 1 66 66 ILE N N 66 122.905 122.905 121.641 1.264 19766 1668 1 3 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.916 -0.214 19766 1669 1 3 . 1 1 66 66 ILE C C 66 177.292 177.292 178.163 -0.871 19766 1670 1 3 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.432 -1.178 19766 1671 1 3 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.670 0.729 19766 1672 1 3 . 1 1 66 66 ILE H H 66 6.702 6.702 8.608 -1.906 19766 1673 1 3 . 1 1 67 67 LEU N N 67 114.425 114.425 120.958 -6.533 19766 1674 1 3 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.969 -0.239 19766 1675 1 3 . 1 1 67 67 LEU C C 67 179.641 179.641 178.274 1.367 19766 1676 1 3 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.900 -0.313 19766 1677 1 3 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.358 0.324 19766 1678 1 3 . 1 1 67 67 LEU H H 67 6.975 6.975 7.737 -0.762 19766 1679 1 3 . 1 1 68 68 ALA N N 68 120.639 120.639 121.722 -1.083 19766 1680 1 3 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.083 0.352 19766 1681 1 3 . 1 1 68 68 ALA C C 68 179.087 179.087 179.626 -0.539 19766 1682 1 3 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.794 0.942 19766 1683 1 3 . 1 1 68 68 ALA CB C 68 19.013 19.013 17.983 1.030 19766 1684 1 3 . 1 1 68 68 ALA H H 68 8.225 8.225 8.163 0.062 19766 1685 1 3 . 1 1 69 69 VAL N N 69 118.866 118.866 118.211 0.655 19766 1686 1 3 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.468 -0.229 19766 1687 1 3 . 1 1 69 69 VAL C C 69 178.798 178.798 178.178 0.620 19766 1688 1 3 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.710 0.315 19766 1689 1 3 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.639 0.198 19766 1690 1 3 . 1 1 69 69 VAL H H 69 8.162 8.162 8.128 0.034 19766 1691 1 3 . 1 1 70 70 ASP N N 70 117.230 117.230 117.811 -0.581 19766 1692 1 3 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.408 -0.354 19766 1693 1 3 . 1 1 70 70 ASP C C 70 178.297 178.297 177.055 1.242 19766 1694 1 3 . 1 1 70 70 ASP CA C 70 57.269 57.269 57.074 0.195 19766 1695 1 3 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.368 -1.746 19766 1696 1 3 . 1 1 70 70 ASP H H 70 8.262 8.262 8.189 0.073 19766 1697 1 3 . 1 1 71 71 ASN N N 71 111.214 111.214 115.977 -4.763 19766 1698 1 3 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.611 0.252 19766 1699 1 3 . 1 1 71 71 ASN C C 71 176.614 176.614 177.163 -0.549 19766 1700 1 3 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.980 0.621 19766 1701 1 3 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.448 2.152 19766 1702 1 3 . 1 1 71 71 ASN H H 71 7.541 7.541 7.999 -0.458 19766 1703 1 3 . 1 1 72 72 LEU N N 72 116.127 116.127 118.409 -2.282 19766 1704 1 3 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.182 0.467 19766 1705 1 3 . 1 1 72 72 LEU C C 72 177.465 177.465 176.247 1.218 19766 1706 1 3 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.465 -1.114 19766 1707 1 3 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.996 0.552 19766 1708 1 3 . 1 1 72 72 LEU H H 72 8.323 8.323 7.828 0.495 19766 1709 1 3 . 1 1 73 73 ASN N N 73 118.792 118.792 117.478 1.314 19766 1710 1 3 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.733 -0.322 19766 1711 1 3 . 1 1 73 73 ASN C C 73 177.085 177.085 176.221 0.864 19766 1712 1 3 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.451 2.103 19766 1713 1 3 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.523 0.935 19766 1714 1 3 . 1 1 73 73 ASN H H 73 6.965 6.965 7.484 -0.519 19766 1715 1 3 . 1 1 74 74 GLY N N 74 115.779 115.779 114.282 1.497 19766 1716 1 3 . 1 1 74 74 GLY C C 74 172.848 172.848 173.750 -0.902 19766 1717 1 3 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.862 0.895 19766 1718 1 3 . 1 1 74 74 GLY H H 74 9.389 9.389 8.251 1.138 19766 1719 1 3 . 1 1 75 75 PHE N N 75 123.194 123.194 123.589 -0.395 19766 1720 1 3 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.426 -0.139 19766 1721 1 3 . 1 1 75 75 PHE C C 75 174.778 174.778 174.090 0.688 19766 1722 1 3 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.158 0.715 19766 1723 1 3 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.181 1.421 19766 1724 1 3 . 1 1 75 75 PHE H H 75 8.133 8.133 8.099 0.034 19766 1725 1 3 . 1 1 76 76 LYS N N 76 127.364 127.364 128.131 -0.767 19766 1726 1 3 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.595 0.076 19766 1727 1 3 . 1 1 76 76 LYS C C 76 175.286 175.286 175.615 -0.329 19766 1728 1 3 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.520 0.732 19766 1729 1 3 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.947 0.254 19766 1730 1 3 . 1 1 76 76 LYS H H 76 7.596 7.596 8.054 -0.458 19766 1731 1 3 . 1 1 77 77 ILE N N 77 120.094 120.094 127.464 -7.370 19766 1732 1 3 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.173 0.185 19766 1733 1 3 . 1 1 77 77 ILE C C 77 177.519 177.519 175.815 1.704 19766 1734 1 3 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.836 -0.333 19766 1735 1 3 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.017 1.619 19766 1736 1 3 . 1 1 77 77 ILE H H 77 8.004 8.004 9.033 -1.029 19766 1737 1 3 . 1 1 78 78 GLY N N 78 119.932 119.932 116.358 3.574 19766 1738 1 3 . 1 1 78 78 GLY C C 78 175.944 175.944 175.007 0.937 19766 1739 1 3 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.116 2.103 19766 1740 1 3 . 1 1 78 78 GLY H H 78 10.183 10.183 8.979 1.204 19766 1741 1 3 . 1 1 79 79 GLY N N 79 104.505 104.505 104.679 -0.174 19766 1742 1 3 . 1 1 79 79 GLY C C 79 173.347 173.347 173.792 -0.445 19766 1743 1 3 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.712 0.380 19766 1744 1 3 . 1 1 79 79 GLY H H 79 8.892 8.892 8.365 0.527 19766 1745 1 3 . 1 1 80 80 ARG N N 80 119.144 119.144 119.765 -0.621 19766 1746 1 3 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.699 -0.033 19766 1747 1 3 . 1 1 80 80 ARG C C 80 174.693 174.693 174.030 0.663 19766 1748 1 3 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.149 0.529 19766 1749 1 3 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.425 0.982 19766 1750 1 3 . 1 1 80 80 ARG H H 80 7.281 7.281 7.439 -0.158 19766 1751 1 3 . 1 1 81 81 ALA N N 81 126.229 126.229 125.696 0.533 19766 1752 1 3 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.231 -1.030 19766 1753 1 3 . 1 1 81 81 ALA C C 81 176.967 176.967 177.472 -0.505 19766 1754 1 3 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.108 1.021 19766 1755 1 3 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.097 -0.897 19766 1756 1 3 . 1 1 81 81 ALA H H 81 8.673 8.673 8.445 0.228 19766 1757 1 3 . 1 1 82 82 LEU N N 82 125.471 125.471 121.533 3.938 19766 1758 1 3 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.721 -0.297 19766 1759 1 3 . 1 1 82 82 LEU C C 82 177.436 177.436 176.001 1.435 19766 1760 1 3 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.695 1.455 19766 1761 1 3 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.757 0.516 19766 1762 1 3 . 1 1 82 82 LEU H H 82 8.702 8.702 8.311 0.391 19766 1763 1 3 . 1 1 83 83 LYS N N 83 123.609 123.609 121.573 2.036 19766 1764 1 3 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.739 0.266 19766 1765 1 3 . 1 1 83 83 LYS C C 83 174.759 174.759 174.698 0.061 19766 1766 1 3 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.480 0.305 19766 1767 1 3 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.197 0.249 19766 1768 1 3 . 1 1 83 83 LYS H H 83 7.853 7.853 8.712 -0.859 19766 1769 1 3 . 1 1 84 84 ILE N N 84 125.547 125.547 127.210 -1.663 19766 1770 1 3 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.534 0.165 19766 1771 1 3 . 1 1 84 84 ILE C C 84 174.989 174.989 175.738 -0.749 19766 1772 1 3 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.753 -1.334 19766 1773 1 3 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.321 -0.954 19766 1774 1 3 . 1 1 84 84 ILE H H 84 8.719 8.719 8.612 0.107 19766 1775 1 3 . 1 1 85 85 ASP N N 85 124.650 124.650 122.270 2.380 19766 1776 1 3 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.979 0.025 19766 1777 1 3 . 1 1 85 85 ASP C C 85 175.302 175.302 174.396 0.906 19766 1778 1 3 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.452 0.029 19766 1779 1 3 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.870 0.599 19766 1780 1 3 . 1 1 85 85 ASP H H 85 8.826 8.826 8.816 0.010 19766 1781 1 3 . 1 1 86 86 HIS N N 86 121.936 121.936 119.795 2.141 19766 1782 1 3 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.060 -0.357 19766 1783 1 3 . 1 1 86 86 HIS C C 86 175.216 175.216 174.780 0.436 19766 1784 1 3 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.206 1.738 19766 1785 1 3 . 1 1 86 86 HIS CB C 86 31.480 31.480 30.680 0.800 19766 1786 1 3 . 1 1 86 86 HIS H H 86 8.909 8.909 8.540 0.369 19766 1787 1 3 . 1 1 87 87 THR N N 87 116.612 116.612 119.627 -3.015 19766 1788 1 3 . 1 1 87 87 THR HA H 87 4.688 4.688 4.725 -0.037 19766 1789 1 3 . 1 1 87 87 THR CA C 87 61.030 61.030 61.026 0.004 19766 1790 1 3 . 1 1 87 87 THR CB C 87 69.903 69.903 70.785 -0.882 19766 1791 1 3 . 1 1 87 87 THR H H 87 8.521 8.521 8.554 -0.033 19766 1792 1 3 . 1 1 88 88 PHE N N 88 123.233 123.233 130.097 -6.864 19766 1793 1 3 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.791 0.503 19766 1794 1 3 . 1 1 88 88 PHE C C 88 176.452 176.452 173.814 2.638 19766 1795 1 3 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.606 -0.673 19766 1796 1 3 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.419 0.694 19766 1797 1 3 . 1 1 88 88 PHE H H 88 8.145 8.145 8.814 -0.669 19766 1798 1 3 . 1 1 89 89 TYR N N 89 122.872 122.872 124.114 -1.242 19766 1799 1 3 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.702 -0.628 19766 1800 1 3 . 1 1 89 89 TYR C C 89 173.089 173.089 174.366 -1.277 19766 1801 1 3 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.229 2.300 19766 1802 1 3 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.719 0.089 19766 1803 1 3 . 1 1 89 89 TYR H H 89 8.242 8.242 7.690 0.552 19766 1804 1 3 . 1 1 90 90 ARG N N 90 128.867 128.867 121.878 6.989 19766 1805 1 3 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.027 0.402 19766 1806 1 3 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.179 -1.611 19766 1807 1 3 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.079 1.915 19766 1808 1 3 . 1 1 90 90 ARG H H 90 7.018 7.018 8.490 -1.472 19766 1809 1 3 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.819 0.371 19766 1810 1 3 . 1 1 91 91 PRO C C 91 176.284 176.284 176.413 -0.129 19766 1811 1 3 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.583 -0.094 19766 1812 1 3 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.475 1.572 19766 1813 1 3 . 1 1 92 92 LYS N N 92 119.987 119.987 123.899 -3.912 19766 1814 1 3 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.095 0.587 19766 1815 1 3 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.357 -1.670 19766 1816 1 3 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.206 1.853 19766 1817 1 3 . 1 1 92 92 LYS H H 92 8.672 8.672 8.174 0.498 19766 1818 1 3 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.099 0.075 19766 1819 1 3 . 1 1 93 93 ARG C C 93 178.848 178.848 179.108 -0.260 19766 1820 1 3 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.454 0.738 19766 1821 1 3 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.813 -0.017 19766 1822 1 3 . 1 1 94 94 SER N N 94 112.252 112.252 114.232 -1.980 19766 1823 1 3 . 1 1 94 94 SER HA H 94 4.266 4.266 4.290 -0.024 19766 1824 1 3 . 1 1 94 94 SER C C 94 175.827 175.827 175.403 0.424 19766 1825 1 3 . 1 1 94 94 SER CA C 94 60.087 60.087 61.039 -0.952 19766 1826 1 3 . 1 1 94 94 SER CB C 94 62.266 62.266 62.955 -0.688 19766 1827 1 3 . 1 1 94 94 SER H H 94 8.353 8.353 8.311 0.042 19766 1828 1 3 . 1 1 95 95 LEU N N 95 122.261 122.261 120.668 1.593 19766 1829 1 3 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.629 0.036 19766 1830 1 3 . 1 1 95 95 LEU C C 95 175.444 175.444 177.667 -2.223 19766 1831 1 3 . 1 1 95 95 LEU CA C 95 54.104 54.104 54.210 -0.106 19766 1832 1 3 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.199 0.713 19766 1833 1 3 . 1 1 95 95 LEU H H 95 7.229 7.229 8.076 -0.847 19766 1834 1 3 . 1 1 96 96 GLN N N 96 118.873 118.873 120.582 -1.709 19766 1835 1 3 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.035 0.058 19766 1836 1 3 . 1 1 96 96 GLN C C 96 177.668 177.668 177.550 0.118 19766 1837 1 3 . 1 1 96 96 GLN CA C 96 60.710 60.710 58.914 1.796 19766 1838 1 3 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.228 0.753 19766 1839 1 3 . 1 1 96 96 GLN H H 96 7.390 7.390 7.707 -0.317 19766 1840 1 3 . 1 1 97 97 LYS N N 97 116.416 116.416 119.180 -2.764 19766 1841 1 3 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.098 0.019 19766 1842 1 3 . 1 1 97 97 LYS C C 97 179.237 179.237 179.270 -0.033 19766 1843 1 3 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.211 1.182 19766 1844 1 3 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.648 -0.132 19766 1845 1 3 . 1 1 97 97 LYS H H 97 8.595 8.595 8.399 0.196 19766 1846 1 3 . 1 1 98 98 TYR N N 98 123.922 123.922 122.230 1.692 19766 1847 1 3 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.195 -0.058 19766 1848 1 3 . 1 1 98 98 TYR C C 98 177.309 177.309 177.557 -0.248 19766 1849 1 3 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.730 0.499 19766 1850 1 3 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.417 -1.127 19766 1851 1 3 . 1 1 98 98 TYR H H 98 7.558 7.558 8.300 -0.742 19766 1852 1 3 . 1 1 99 99 TYR N N 99 118.047 118.047 118.395 -0.348 19766 1853 1 3 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.928 1.180 19766 1854 1 3 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.620 -3.722 19766 1855 1 3 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.302 -1.080 19766 1856 1 3 . 1 1 99 99 TYR H H 99 8.624 8.624 7.838 0.785 19766 1857 1 3 . 1 1 100 100 GLU N N 100 118.804 118.804 118.669 0.135 19766 1858 1 3 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.990 0.076 19766 1859 1 3 . 1 1 100 100 GLU C C 100 178.595 178.595 178.318 0.277 19766 1860 1 3 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.257 0.228 19766 1861 1 3 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.128 0.667 19766 1862 1 3 . 1 1 100 100 GLU H H 100 8.348 8.348 8.948 -0.600 19766 1863 1 3 . 1 1 101 101 ALA N N 101 123.315 123.315 122.540 0.775 19766 1864 1 3 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.031 0.264 19766 1865 1 3 . 1 1 101 101 ALA C C 101 181.438 181.438 179.783 1.655 19766 1866 1 3 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.936 -0.078 19766 1867 1 3 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.434 0.243 19766 1868 1 3 . 1 1 101 101 ALA H H 101 7.963 7.963 7.703 0.260 19766 1869 1 3 . 1 1 102 102 VAL N N 102 120.092 120.092 118.094 1.998 19766 1870 1 3 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.548 0.229 19766 1871 1 3 . 1 1 102 102 VAL C C 102 176.958 176.958 177.909 -0.951 19766 1872 1 3 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.111 1.294 19766 1873 1 3 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.018 0.818 19766 1874 1 3 . 1 1 102 102 VAL H H 102 8.321 8.321 7.781 0.540 19766 1875 1 3 . 1 1 103 103 LYS N N 103 120.226 120.226 118.575 1.651 19766 1876 1 3 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.066 -0.140 19766 1877 1 3 . 1 1 103 103 LYS C C 103 178.354 178.354 178.753 -0.399 19766 1878 1 3 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.360 0.323 19766 1879 1 3 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.970 0.206 19766 1880 1 3 . 1 1 103 103 LYS H H 103 8.266 8.266 7.603 0.663 19766 1881 1 3 . 1 1 104 104 GLU N N 104 116.521 116.521 119.025 -2.504 19766 1882 1 3 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.056 -0.095 19766 1883 1 3 . 1 1 104 104 GLU C C 104 178.628 178.628 178.059 0.569 19766 1884 1 3 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.054 0.056 19766 1885 1 3 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.916 0.809 19766 1886 1 3 . 1 1 104 104 GLU H H 104 8.027 8.027 8.284 -0.257 19766 1887 1 3 . 1 1 105 105 GLU N N 105 118.569 118.569 117.070 1.499 19766 1888 1 3 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.275 -0.375 19766 1889 1 3 . 1 1 105 105 GLU C C 105 178.399 178.399 178.301 0.098 19766 1890 1 3 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.410 0.855 19766 1891 1 3 . 1 1 105 105 GLU CB C 105 29.773 29.773 30.017 -0.244 19766 1892 1 3 . 1 1 105 105 GLU H H 105 7.225 7.225 7.612 -0.387 19766 1893 1 3 . 1 1 106 106 LEU N N 106 116.938 116.938 118.853 -1.915 19766 1894 1 3 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.226 -0.193 19766 1895 1 3 . 1 1 106 106 LEU C C 106 179.770 179.770 178.875 0.895 19766 1896 1 3 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.005 -0.080 19766 1897 1 3 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.228 -1.943 19766 1898 1 3 . 1 1 106 106 LEU H H 106 8.273 8.273 7.301 0.972 19766 1899 1 3 . 1 1 107 107 ASP N N 107 119.855 119.855 119.856 -0.001 19766 1900 1 3 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.268 0.280 19766 1901 1 3 . 1 1 107 107 ASP C C 107 177.891 177.891 177.690 0.201 19766 1902 1 3 . 1 1 107 107 ASP CA C 107 55.933 55.933 58.068 -2.135 19766 1903 1 3 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.808 -0.094 19766 1904 1 3 . 1 1 107 107 ASP H H 107 8.286 8.286 8.691 -0.405 19766 1905 1 3 . 1 1 108 108 ARG N N 108 118.853 118.853 114.726 4.127 19766 1906 1 3 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.179 -0.098 19766 1907 1 3 . 1 1 108 108 ARG C C 108 177.325 177.325 177.991 -0.666 19766 1908 1 3 . 1 1 108 108 ARG CA C 108 58.009 58.009 56.974 1.035 19766 1909 1 3 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.510 0.894 19766 1910 1 3 . 1 1 108 108 ARG H H 108 7.406 7.406 8.117 -0.711 19766 1911 1 3 . 1 1 109 109 ASP N N 109 119.636 119.636 117.667 1.969 19766 1912 1 3 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.668 -0.133 19766 1913 1 3 . 1 1 109 109 ASP C C 109 176.758 176.758 176.932 -0.174 19766 1914 1 3 . 1 1 109 109 ASP CA C 109 55.238 55.238 54.868 0.370 19766 1915 1 3 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.670 -0.925 19766 1916 1 3 . 1 1 109 109 ASP H H 109 7.853 7.853 8.087 -0.234 19766 1917 1 3 . 1 1 110 110 ILE N N 110 119.905 119.905 118.823 1.082 19766 1918 1 3 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.074 0.030 19766 1919 1 3 . 1 1 110 110 ILE C C 110 176.642 176.642 176.372 0.270 19766 1920 1 3 . 1 1 110 110 ILE CA C 110 61.776 61.776 62.999 -1.223 19766 1921 1 3 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.994 -0.540 19766 1922 1 3 . 1 1 110 110 ILE H H 110 7.623 7.623 7.370 0.253 19766 1923 1 3 . 1 1 111 111 VAL N N 111 122.938 122.938 119.430 3.508 19766 1924 1 3 . 1 1 111 111 VAL HA H 111 4.078 4.078 4.005 0.074 19766 1925 1 3 . 1 1 111 111 VAL C C 111 176.668 176.668 175.785 0.883 19766 1926 1 3 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.174 0.863 19766 1927 1 3 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.542 -1.060 19766 1928 1 3 . 1 1 111 111 VAL H H 111 8.043 8.043 8.031 0.012 19766 1929 1 3 . 1 1 112 112 SER N N 112 118.345 118.345 117.693 0.652 19766 1930 1 3 . 1 1 112 112 SER HA H 112 4.417 4.417 4.483 -0.066 19766 1931 1 3 . 1 1 112 112 SER C C 112 174.925 174.925 174.315 0.610 19766 1932 1 3 . 1 1 112 112 SER CA C 112 58.848 58.848 59.558 -0.710 19766 1933 1 3 . 1 1 112 112 SER CB C 112 63.551 63.551 63.295 0.256 19766 1934 1 3 . 1 1 112 112 SER H H 112 8.210 8.210 8.447 -0.237 19766 1935 1 3 . 1 1 113 113 LYS N N 113 122.729 122.729 120.935 1.794 19766 1936 1 3 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.396 -0.078 19766 1937 1 3 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.111 1.486 19766 1938 1 3 . 1 1 113 113 LYS CB C 113 32.846 32.846 30.841 2.005 19766 1939 1 3 . 1 1 113 113 LYS H H 113 8.295 8.295 7.853 0.442 19766 1940 1 3 . 1 1 114 114 ASN N N 114 119.243 119.243 120.188 -0.945 19766 1941 1 3 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.779 -0.101 19766 1942 1 3 . 1 1 114 114 ASN CA C 114 53.483 53.483 54.961 -1.478 19766 1943 1 3 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.211 -0.353 19766 1944 1 3 . 1 1 114 114 ASN H H 114 8.372 8.372 8.251 0.121 19766 1945 1 3 . 1 1 115 115 ASN N N 115 119.155 119.155 115.749 3.406 19766 1946 1 3 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.854 -0.172 19766 1947 1 3 . 1 1 115 115 ASN C C 115 174.877 174.877 173.682 1.195 19766 1948 1 3 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.579 0.904 19766 1949 1 3 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.713 -0.855 19766 1950 1 3 . 1 1 115 115 ASN H H 115 8.372 8.372 7.800 0.572 19766 1951 1 3 . 1 1 116 116 ALA N N 116 123.743 123.743 128.132 -4.389 19766 1952 1 3 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.442 -0.113 19766 1953 1 3 . 1 1 116 116 ALA C C 116 177.574 177.574 177.311 0.263 19766 1954 1 3 . 1 1 116 116 ALA CA C 116 52.693 52.693 53.139 -0.446 19766 1955 1 3 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.920 0.427 19766 1956 1 3 . 1 1 116 116 ALA H H 116 8.116 8.116 8.401 -0.285 19766 1957 1 3 . 1 1 117 117 GLU N N 117 120.161 120.161 120.247 -0.086 19766 1958 1 3 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.226 0.047 19766 1959 1 3 . 1 1 117 117 GLU C C 117 175.557 175.557 177.413 -1.856 19766 1960 1 3 . 1 1 117 117 GLU CA C 117 56.659 56.659 57.158 -0.499 19766 1961 1 3 . 1 1 117 117 GLU CB C 117 30.154 30.154 29.881 0.273 19766 1962 1 3 . 1 1 117 117 GLU H H 117 8.220 8.220 8.292 -0.072 19766 1963 1 4 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.463 -0.123 19766 1964 1 4 . 1 1 2 2 ALA C C 2 177.830 177.830 176.468 1.362 19766 1965 1 4 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.819 0.874 19766 1966 1 4 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.765 0.594 19766 1967 1 4 . 1 1 3 3 MET N N 3 119.580 119.580 123.440 -3.860 19766 1968 1 4 . 1 1 3 3 MET HA H 3 4.482 4.482 4.269 0.213 19766 1969 1 4 . 1 1 3 3 MET C C 3 176.714 176.714 175.916 0.798 19766 1970 1 4 . 1 1 3 3 MET CA C 3 55.590 55.590 54.220 1.370 19766 1971 1 4 . 1 1 3 3 MET CB C 3 32.922 32.922 32.674 0.248 19766 1972 1 4 . 1 1 3 3 MET H H 3 8.451 8.451 8.075 0.376 19766 1973 1 4 . 1 1 4 4 GLY N N 4 109.951 109.951 113.475 -3.524 19766 1974 1 4 . 1 1 4 4 GLY C C 4 174.082 174.082 174.517 -0.435 19766 1975 1 4 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.233 1.233 19766 1976 1 4 . 1 1 4 4 GLY H H 4 8.400 8.400 8.272 0.128 19766 1977 1 4 . 1 1 5 5 ASN N N 5 118.667 118.667 117.676 0.991 19766 1978 1 4 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.557 0.127 19766 1979 1 4 . 1 1 5 5 ASN C C 5 175.489 175.489 176.480 -0.991 19766 1980 1 4 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.759 -1.258 19766 1981 1 4 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.666 0.299 19766 1982 1 4 . 1 1 5 5 ASN H H 5 8.378 8.378 8.750 -0.372 19766 1983 1 4 . 1 1 6 6 GLU N N 6 120.908 120.908 117.388 3.520 19766 1984 1 4 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.207 -0.041 19766 1985 1 4 . 1 1 6 6 GLU C C 6 176.336 176.336 176.372 -0.036 19766 1986 1 4 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.330 0.939 19766 1987 1 4 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.426 0.310 19766 1988 1 4 . 1 1 6 6 GLU H H 6 8.620 8.620 8.526 0.094 19766 1989 1 4 . 1 1 7 7 TYR N N 7 120.339 120.339 122.519 -2.180 19766 1990 1 4 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.646 -0.146 19766 1991 1 4 . 1 1 7 7 TYR C C 7 175.808 175.808 175.679 0.129 19766 1992 1 4 . 1 1 7 7 TYR CA C 7 58.151 58.151 58.101 0.050 19766 1993 1 4 . 1 1 7 7 TYR CB C 7 38.194 38.194 37.538 0.656 19766 1994 1 4 . 1 1 7 7 TYR H H 7 8.045 8.045 7.447 0.598 19766 1995 1 4 . 1 1 8 8 LYS N N 8 121.700 121.700 123.436 -1.736 19766 1996 1 4 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.190 -0.040 19766 1997 1 4 . 1 1 8 8 LYS C C 8 175.868 175.868 176.017 -0.149 19766 1998 1 4 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.097 -0.535 19766 1999 1 4 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.553 0.605 19766 2000 1 4 . 1 1 8 8 LYS H H 8 7.829 7.829 7.543 0.286 19766 2001 1 4 . 1 1 9 9 ASP N N 9 119.811 119.811 116.346 3.465 19766 2002 1 4 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.329 0.309 19766 2003 1 4 . 1 1 9 9 ASP C C 9 175.972 175.972 175.187 0.785 19766 2004 1 4 . 1 1 9 9 ASP CA C 9 54.624 54.624 55.191 -0.567 19766 2005 1 4 . 1 1 9 9 ASP CB C 9 41.539 41.539 39.330 2.209 19766 2006 1 4 . 1 1 9 9 ASP H H 9 8.137 8.137 7.996 0.141 19766 2007 1 4 . 1 1 10 10 ASN N N 10 119.794 119.794 115.394 4.400 19766 2008 1 4 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.042 -0.070 19766 2009 1 4 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.830 0.015 19766 2010 1 4 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.183 0.576 19766 2011 1 4 . 1 1 10 10 ASN H H 10 8.292 8.292 7.573 0.719 19766 2012 1 4 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.642 -0.039 19766 2013 1 4 . 1 1 11 11 ALA CA C 11 53.249 53.249 51.645 1.604 19766 2014 1 4 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.674 -0.486 19766 2015 1 4 . 1 1 12 12 TYR N N 12 118.889 118.889 119.319 -0.430 19766 2016 1 4 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.086 0.058 19766 2017 1 4 . 1 1 12 12 TYR C C 12 177.773 177.773 175.037 2.736 19766 2018 1 4 . 1 1 12 12 TYR CA C 12 57.183 57.183 57.968 -0.785 19766 2019 1 4 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.410 2.172 19766 2020 1 4 . 1 1 12 12 TYR H H 12 8.057 8.057 7.640 0.417 19766 2021 1 4 . 1 1 13 13 ILE N N 13 112.765 112.765 119.015 -6.250 19766 2022 1 4 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.059 0.095 19766 2023 1 4 . 1 1 13 13 ILE C C 13 174.312 174.312 174.557 -0.245 19766 2024 1 4 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.424 0.612 19766 2025 1 4 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.278 -0.382 19766 2026 1 4 . 1 1 13 13 ILE H H 13 9.310 9.310 8.973 0.337 19766 2027 1 4 . 1 1 14 14 TYR N N 14 124.417 124.417 128.996 -4.579 19766 2028 1 4 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.998 -0.291 19766 2029 1 4 . 1 1 14 14 TYR C C 14 173.058 173.058 173.725 -0.667 19766 2030 1 4 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.109 -0.897 19766 2031 1 4 . 1 1 14 14 TYR CB C 14 40.219 40.219 40.128 0.091 19766 2032 1 4 . 1 1 14 14 TYR H H 14 9.252 9.252 9.310 -0.058 19766 2033 1 4 . 1 1 15 15 ILE N N 15 127.660 127.660 128.598 -0.938 19766 2034 1 4 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.036 -0.771 19766 2035 1 4 . 1 1 15 15 ILE C C 15 173.705 173.705 174.866 -1.161 19766 2036 1 4 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.383 0.103 19766 2037 1 4 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.549 1.453 19766 2038 1 4 . 1 1 15 15 ILE H H 15 8.558 8.558 8.663 -0.105 19766 2039 1 4 . 1 1 16 16 GLY N N 16 112.792 112.792 112.731 0.061 19766 2040 1 4 . 1 1 16 16 GLY C C 16 173.110 173.110 173.388 -0.278 19766 2041 1 4 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.544 0.705 19766 2042 1 4 . 1 1 16 16 GLY H H 16 9.516 9.516 8.562 0.954 19766 2043 1 4 . 1 1 17 17 ASN N N 17 115.139 115.139 115.379 -0.240 19766 2044 1 4 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.144 0.252 19766 2045 1 4 . 1 1 17 17 ASN C C 17 174.854 174.854 174.525 0.329 19766 2046 1 4 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.988 -0.752 19766 2047 1 4 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.862 0.071 19766 2048 1 4 . 1 1 17 17 ASN H H 17 8.511 8.511 8.359 0.152 19766 2049 1 4 . 1 1 18 18 LEU N N 18 114.660 114.660 118.049 -3.389 19766 2050 1 4 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.205 -0.169 19766 2051 1 4 . 1 1 18 18 LEU C C 18 178.161 178.161 176.539 1.622 19766 2052 1 4 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.617 -0.733 19766 2053 1 4 . 1 1 18 18 LEU CB C 18 42.562 42.562 42.787 -0.225 19766 2054 1 4 . 1 1 18 18 LEU H H 18 7.839 7.839 7.020 0.819 19766 2055 1 4 . 1 1 19 19 ASN N N 19 122.707 122.707 121.371 1.336 19766 2056 1 4 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.494 -0.131 19766 2057 1 4 . 1 1 19 19 ASN C C 19 178.037 178.037 176.073 1.964 19766 2058 1 4 . 1 1 19 19 ASN CA C 19 54.604 54.604 54.459 0.145 19766 2059 1 4 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.284 -0.472 19766 2060 1 4 . 1 1 19 19 ASN H H 19 8.779 8.779 8.605 0.174 19766 2061 1 4 . 1 1 20 20 ARG N N 20 128.724 128.724 119.670 9.054 19766 2062 1 4 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.019 -0.166 19766 2063 1 4 . 1 1 20 20 ARG C C 20 175.612 175.612 176.015 -0.403 19766 2064 1 4 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.189 0.585 19766 2065 1 4 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.136 -0.452 19766 2066 1 4 . 1 1 20 20 ARG H H 20 8.954 8.954 8.693 0.261 19766 2067 1 4 . 1 1 21 21 GLU N N 21 117.609 117.609 115.177 2.432 19766 2068 1 4 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.234 0.039 19766 2069 1 4 . 1 1 21 21 GLU C C 21 177.285 177.285 176.232 1.053 19766 2070 1 4 . 1 1 21 21 GLU CA C 21 56.782 56.782 55.699 1.083 19766 2071 1 4 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.939 1.560 19766 2072 1 4 . 1 1 21 21 GLU H H 21 9.092 9.092 8.253 0.839 19766 2073 1 4 . 1 1 22 22 LEU N N 22 116.169 116.169 123.752 -7.583 19766 2074 1 4 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.379 0.177 19766 2075 1 4 . 1 1 22 22 LEU C C 22 178.328 178.328 176.245 2.083 19766 2076 1 4 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.885 0.771 19766 2077 1 4 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.614 0.613 19766 2078 1 4 . 1 1 22 22 LEU H H 22 7.208 7.208 7.236 -0.028 19766 2079 1 4 . 1 1 23 23 THR N N 23 113.733 113.733 117.699 -3.966 19766 2080 1 4 . 1 1 23 23 THR HA H 23 4.349 4.349 4.618 -0.269 19766 2081 1 4 . 1 1 23 23 THR C C 23 175.225 175.225 175.401 -0.176 19766 2082 1 4 . 1 1 23 23 THR CA C 23 59.960 59.960 59.508 0.452 19766 2083 1 4 . 1 1 23 23 THR CB C 23 72.172 72.172 71.205 0.967 19766 2084 1 4 . 1 1 23 23 THR H H 23 8.732 8.732 8.159 0.573 19766 2085 1 4 . 1 1 24 24 GLU N N 24 119.838 119.838 123.334 -3.496 19766 2086 1 4 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.975 -0.318 19766 2087 1 4 . 1 1 24 24 GLU C C 24 178.983 178.983 178.645 0.338 19766 2088 1 4 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.473 3.098 19766 2089 1 4 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.422 -2.076 19766 2090 1 4 . 1 1 24 24 GLU H H 24 9.761 9.761 8.974 0.787 19766 2091 1 4 . 1 1 25 25 GLY N N 25 104.462 104.462 105.929 -1.467 19766 2092 1 4 . 1 1 25 25 GLY C C 25 175.139 175.139 175.655 -0.516 19766 2093 1 4 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.716 0.889 19766 2094 1 4 . 1 1 25 25 GLY H H 25 8.486 8.486 8.431 0.055 19766 2095 1 4 . 1 1 26 26 ASP N N 26 123.296 123.296 123.134 0.162 19766 2096 1 4 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.522 0.048 19766 2097 1 4 . 1 1 26 26 ASP C C 26 178.135 178.135 178.197 -0.062 19766 2098 1 4 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.968 0.844 19766 2099 1 4 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.105 0.780 19766 2100 1 4 . 1 1 26 26 ASP H H 26 7.960 7.960 7.869 0.091 19766 2101 1 4 . 1 1 27 27 ILE N N 27 118.853 118.853 121.302 -2.449 19766 2102 1 4 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.821 -0.214 19766 2103 1 4 . 1 1 27 27 ILE C C 27 178.424 178.424 178.257 0.167 19766 2104 1 4 . 1 1 27 27 ILE CA C 27 65.741 65.741 64.750 0.991 19766 2105 1 4 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.944 -0.232 19766 2106 1 4 . 1 1 27 27 ILE H H 27 8.159 8.159 7.624 0.535 19766 2107 1 4 . 1 1 28 28 LEU N N 28 118.549 118.549 119.255 -0.706 19766 2108 1 4 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.897 0.007 19766 2109 1 4 . 1 1 28 28 LEU C C 28 180.057 180.057 179.142 0.915 19766 2110 1 4 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.267 0.265 19766 2111 1 4 . 1 1 28 28 LEU CB C 28 41.945 41.945 40.962 0.983 19766 2112 1 4 . 1 1 28 28 LEU H H 28 8.414 8.414 8.753 -0.339 19766 2113 1 4 . 1 1 29 29 THR N N 29 122.156 122.156 115.840 6.316 19766 2114 1 4 . 1 1 29 29 THR HA H 29 4.032 4.032 3.952 0.080 19766 2115 1 4 . 1 1 29 29 THR C C 29 175.113 175.113 176.590 -1.477 19766 2116 1 4 . 1 1 29 29 THR CA C 29 66.754 66.754 67.061 -0.307 19766 2117 1 4 . 1 1 29 29 THR CB C 29 68.490 68.490 68.514 -0.024 19766 2118 1 4 . 1 1 29 29 THR H H 29 8.715 8.715 7.864 0.851 19766 2119 1 4 . 1 1 30 30 VAL N N 30 116.487 116.487 118.366 -1.879 19766 2120 1 4 . 1 1 30 30 VAL HA H 30 3.831 3.831 4.190 -0.359 19766 2121 1 4 . 1 1 30 30 VAL C C 30 179.968 179.968 177.485 2.483 19766 2122 1 4 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.938 0.577 19766 2123 1 4 . 1 1 30 30 VAL CB C 30 33.044 33.044 30.769 2.275 19766 2124 1 4 . 1 1 30 30 VAL H H 30 7.713 7.713 7.695 0.018 19766 2125 1 4 . 1 1 31 31 PHE N N 31 113.658 113.658 120.062 -6.404 19766 2126 1 4 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.513 -0.646 19766 2127 1 4 . 1 1 31 31 PHE C C 31 179.577 179.577 176.898 2.679 19766 2128 1 4 . 1 1 31 31 PHE CA C 31 62.403 62.403 61.255 1.148 19766 2129 1 4 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.555 -1.242 19766 2130 1 4 . 1 1 31 31 PHE H H 31 8.876 8.876 8.196 0.680 19766 2131 1 4 . 1 1 32 32 SER N N 32 118.635 118.635 114.294 4.341 19766 2132 1 4 . 1 1 32 32 SER HA H 32 5.381 5.381 4.672 0.709 19766 2133 1 4 . 1 1 32 32 SER C C 32 172.662 172.662 175.268 -2.606 19766 2134 1 4 . 1 1 32 32 SER CA C 32 61.338 61.338 60.220 1.118 19766 2135 1 4 . 1 1 32 32 SER CB C 32 63.875 63.875 62.895 0.980 19766 2136 1 4 . 1 1 32 32 SER H H 32 8.106 8.106 7.939 0.167 19766 2137 1 4 . 1 1 33 33 GLU N N 33 121.234 121.234 119.933 1.301 19766 2138 1 4 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.108 -1.951 19766 2139 1 4 . 1 1 33 33 GLU C C 33 174.223 174.223 176.916 -2.693 19766 2140 1 4 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.073 1.567 19766 2141 1 4 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.883 -2.052 19766 2142 1 4 . 1 1 33 33 GLU H H 33 6.964 6.964 7.904 -0.940 19766 2143 1 4 . 1 1 34 34 TYR N N 34 107.930 107.930 115.415 -7.485 19766 2144 1 4 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.811 -0.658 19766 2145 1 4 . 1 1 34 34 TYR C C 34 173.208 173.208 175.501 -2.293 19766 2146 1 4 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.256 0.073 19766 2147 1 4 . 1 1 34 34 TYR CB C 34 38.878 38.878 40.403 -1.525 19766 2148 1 4 . 1 1 34 34 TYR H H 34 6.229 6.229 7.396 -1.167 19766 2149 1 4 . 1 1 35 35 GLY N N 35 103.542 103.542 106.755 -3.213 19766 2150 1 4 . 1 1 35 35 GLY C C 35 170.379 170.379 171.694 -1.315 19766 2151 1 4 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.462 0.217 19766 2152 1 4 . 1 1 35 35 GLY H H 35 7.257 7.257 7.255 0.002 19766 2153 1 4 . 1 1 36 36 VAL N N 36 120.446 120.446 119.706 0.740 19766 2154 1 4 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.362 0.142 19766 2155 1 4 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.010 0.705 19766 2156 1 4 . 1 1 36 36 VAL CB C 36 34.031 34.031 34.940 -0.909 19766 2157 1 4 . 1 1 36 36 VAL H H 36 8.438 8.438 8.015 0.423 19766 2158 1 4 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.600 0.103 19766 2159 1 4 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.401 -0.028 19766 2160 1 4 . 1 1 37 37 PRO CB C 37 32.071 32.071 33.020 -0.949 19766 2161 1 4 . 1 1 38 38 VAL N N 38 113.929 113.929 118.612 -4.683 19766 2162 1 4 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.136 0.346 19766 2163 1 4 . 1 1 38 38 VAL CA C 38 60.454 60.454 63.214 -2.760 19766 2164 1 4 . 1 1 38 38 VAL CB C 38 32.504 32.504 33.566 -1.062 19766 2165 1 4 . 1 1 38 38 VAL H H 38 8.966 8.966 8.364 0.602 19766 2166 1 4 . 1 1 39 39 ASP N N 39 118.213 118.213 118.119 0.094 19766 2167 1 4 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.940 -0.265 19766 2168 1 4 . 1 1 39 39 ASP C C 39 174.637 174.637 173.999 0.638 19766 2169 1 4 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.217 1.471 19766 2170 1 4 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.660 -0.853 19766 2171 1 4 . 1 1 39 39 ASP H H 39 7.500 7.500 7.848 -0.348 19766 2172 1 4 . 1 1 40 40 VAL N N 40 121.576 121.576 122.350 -0.774 19766 2173 1 4 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.923 0.068 19766 2174 1 4 . 1 1 40 40 VAL C C 40 170.562 170.562 174.385 -3.823 19766 2175 1 4 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.834 0.524 19766 2176 1 4 . 1 1 40 40 VAL CB C 40 34.219 34.219 35.163 -0.944 19766 2177 1 4 . 1 1 40 40 VAL H H 40 7.657 7.657 8.435 -0.778 19766 2178 1 4 . 1 1 41 41 ILE N N 41 125.384 125.384 125.326 0.058 19766 2179 1 4 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.687 0.131 19766 2180 1 4 . 1 1 41 41 ILE C C 41 175.425 175.425 173.401 2.024 19766 2181 1 4 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.216 2.274 19766 2182 1 4 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.620 1.936 19766 2183 1 4 . 1 1 41 41 ILE H H 41 8.901 8.901 9.130 -0.229 19766 2184 1 4 . 1 1 42 42 LEU N N 42 128.888 128.888 128.258 0.630 19766 2185 1 4 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.761 -0.300 19766 2186 1 4 . 1 1 42 42 LEU C C 42 174.934 174.934 175.809 -0.875 19766 2187 1 4 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.131 0.246 19766 2188 1 4 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.130 0.409 19766 2189 1 4 . 1 1 42 42 LEU H H 42 8.344 8.344 9.127 -0.783 19766 2190 1 4 . 1 1 43 43 SER N N 43 122.818 122.818 123.207 -0.389 19766 2191 1 4 . 1 1 43 43 SER HA H 43 3.876 3.876 4.424 -0.548 19766 2192 1 4 . 1 1 43 43 SER C C 43 173.869 173.869 173.700 0.169 19766 2193 1 4 . 1 1 43 43 SER CA C 43 59.688 59.688 58.467 1.221 19766 2194 1 4 . 1 1 43 43 SER CB C 43 62.673 62.673 62.836 -0.163 19766 2195 1 4 . 1 1 43 43 SER H H 43 8.362 8.362 9.059 -0.697 19766 2196 1 4 . 1 1 44 44 ARG N N 44 128.045 128.045 126.178 1.867 19766 2197 1 4 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.857 -0.028 19766 2198 1 4 . 1 1 44 44 ARG C C 44 175.031 175.031 175.734 -0.703 19766 2199 1 4 . 1 1 44 44 ARG CA C 44 54.062 54.062 54.680 -0.618 19766 2200 1 4 . 1 1 44 44 ARG CB C 44 34.298 34.298 32.877 1.421 19766 2201 1 4 . 1 1 44 44 ARG H H 44 8.079 8.079 7.720 0.359 19766 2202 1 4 . 1 1 45 45 ASP N N 45 123.491 123.491 120.888 2.603 19766 2203 1 4 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.541 -0.304 19766 2204 1 4 . 1 1 45 45 ASP C C 45 177.487 177.487 177.164 0.323 19766 2205 1 4 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.415 0.502 19766 2206 1 4 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.535 1.076 19766 2207 1 4 . 1 1 45 45 ASP H H 45 8.663 8.663 8.531 0.132 19766 2208 1 4 . 1 1 46 46 GLU N N 46 125.446 125.446 126.273 -0.827 19766 2209 1 4 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.013 -0.106 19766 2210 1 4 . 1 1 46 46 GLU C C 46 175.655 175.655 176.776 -1.121 19766 2211 1 4 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.799 0.074 19766 2212 1 4 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.804 -0.150 19766 2213 1 4 . 1 1 46 46 GLU H H 46 9.007 9.007 8.953 0.054 19766 2214 1 4 . 1 1 47 47 ASN N N 47 115.343 115.343 116.245 -0.902 19766 2215 1 4 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.678 0.206 19766 2216 1 4 . 1 1 47 47 ASN C C 47 176.665 176.665 176.996 -0.331 19766 2217 1 4 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.941 -0.002 19766 2218 1 4 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.544 0.686 19766 2219 1 4 . 1 1 47 47 ASN H H 47 8.947 8.947 8.306 0.641 19766 2220 1 4 . 1 1 48 48 THR N N 48 107.604 107.604 112.789 -5.185 19766 2221 1 4 . 1 1 48 48 THR HA H 48 4.468 4.468 4.405 0.063 19766 2222 1 4 . 1 1 48 48 THR C C 48 176.465 176.465 175.945 0.520 19766 2223 1 4 . 1 1 48 48 THR CA C 48 61.555 61.555 62.738 -1.183 19766 2224 1 4 . 1 1 48 48 THR CB C 48 71.342 71.342 70.468 0.874 19766 2225 1 4 . 1 1 48 48 THR H H 48 8.450 8.450 8.281 0.169 19766 2226 1 4 . 1 1 49 49 GLY N N 49 111.809 111.809 111.310 0.499 19766 2227 1 4 . 1 1 49 49 GLY C C 49 173.193 173.193 172.906 0.287 19766 2228 1 4 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.352 0.371 19766 2229 1 4 . 1 1 49 49 GLY H H 49 8.632 8.632 8.154 0.478 19766 2230 1 4 . 1 1 50 50 GLU N N 50 120.089 120.089 116.726 3.363 19766 2231 1 4 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.443 -0.310 19766 2232 1 4 . 1 1 50 50 GLU C C 50 176.586 176.586 175.908 0.678 19766 2233 1 4 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.345 2.187 19766 2234 1 4 . 1 1 50 50 GLU CB C 50 31.084 31.084 31.139 -0.055 19766 2235 1 4 . 1 1 50 50 GLU H H 50 7.825 7.825 7.708 0.117 19766 2236 1 4 . 1 1 51 51 SER N N 51 115.686 115.686 116.671 -0.985 19766 2237 1 4 . 1 1 51 51 SER HA H 51 4.273 4.273 4.206 0.067 19766 2238 1 4 . 1 1 51 51 SER C C 51 176.516 176.516 174.998 1.518 19766 2239 1 4 . 1 1 51 51 SER CA C 51 58.415 58.415 58.759 -0.344 19766 2240 1 4 . 1 1 51 51 SER CB C 51 64.668 64.668 63.597 1.071 19766 2241 1 4 . 1 1 51 51 SER H H 51 8.871 8.871 8.694 0.177 19766 2242 1 4 . 1 1 52 52 GLN N N 52 123.284 123.284 124.639 -1.355 19766 2243 1 4 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.456 0.035 19766 2244 1 4 . 1 1 52 52 GLN C C 52 177.471 177.471 176.472 0.999 19766 2245 1 4 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.701 -0.554 19766 2246 1 4 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.919 -0.039 19766 2247 1 4 . 1 1 52 52 GLN H H 52 9.103 9.103 8.690 0.413 19766 2248 1 4 . 1 1 53 53 GLY N N 53 105.865 105.865 107.986 -2.121 19766 2249 1 4 . 1 1 53 53 GLY C C 53 172.010 172.010 172.741 -0.731 19766 2250 1 4 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.262 1.383 19766 2251 1 4 . 1 1 53 53 GLY H H 53 8.888 8.888 7.951 0.937 19766 2252 1 4 . 1 1 54 54 PHE N N 54 112.097 112.097 117.787 -5.690 19766 2253 1 4 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.184 0.162 19766 2254 1 4 . 1 1 54 54 PHE C C 54 171.548 171.548 173.207 -1.659 19766 2255 1 4 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.223 -0.552 19766 2256 1 4 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.884 -2.204 19766 2257 1 4 . 1 1 54 54 PHE H H 54 6.879 6.879 7.305 -0.426 19766 2258 1 4 . 1 1 55 55 ALA N N 55 122.332 122.332 122.044 0.288 19766 2259 1 4 . 1 1 55 55 ALA HA H 55 5.123 5.123 5.227 -0.104 19766 2260 1 4 . 1 1 55 55 ALA C C 55 173.074 173.074 174.785 -1.711 19766 2261 1 4 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.325 -0.796 19766 2262 1 4 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.990 2.749 19766 2263 1 4 . 1 1 55 55 ALA H H 55 9.051 9.051 8.941 0.110 19766 2264 1 4 . 1 1 56 56 TYR N N 56 115.022 115.022 116.368 -1.346 19766 2265 1 4 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.817 -0.143 19766 2266 1 4 . 1 1 56 56 TYR C C 56 175.292 175.292 174.212 1.080 19766 2267 1 4 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.741 -1.160 19766 2268 1 4 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.049 -0.702 19766 2269 1 4 . 1 1 56 56 TYR H H 56 9.007 9.007 9.009 -0.002 19766 2270 1 4 . 1 1 57 57 LEU N N 57 122.695 122.695 120.582 2.113 19766 2271 1 4 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.338 -0.579 19766 2272 1 4 . 1 1 57 57 LEU C C 57 172.173 172.173 174.551 -2.378 19766 2273 1 4 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.700 1.116 19766 2274 1 4 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.530 0.376 19766 2275 1 4 . 1 1 57 57 LEU H H 57 8.648 8.648 9.096 -0.448 19766 2276 1 4 . 1 1 58 58 LYS N N 58 125.954 125.954 119.155 6.799 19766 2277 1 4 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.815 -0.350 19766 2278 1 4 . 1 1 58 58 LYS C C 58 174.900 174.900 174.424 0.476 19766 2279 1 4 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.904 -0.281 19766 2280 1 4 . 1 1 58 58 LYS CB C 58 36.546 36.546 36.683 -0.137 19766 2281 1 4 . 1 1 58 58 LYS H H 58 7.948 7.948 8.767 -0.819 19766 2282 1 4 . 1 1 59 59 TYR N N 59 126.396 126.396 124.079 2.317 19766 2283 1 4 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.656 0.444 19766 2284 1 4 . 1 1 59 59 TYR CA C 59 57.974 57.974 56.185 1.789 19766 2285 1 4 . 1 1 59 59 TYR CB C 59 42.498 42.498 42.095 0.403 19766 2286 1 4 . 1 1 59 59 TYR H H 59 9.007 9.007 8.423 0.584 19766 2287 1 4 . 1 1 60 60 GLU N N 60 120.848 120.848 121.580 -0.732 19766 2288 1 4 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.113 -0.240 19766 2289 1 4 . 1 1 60 60 GLU C C 60 175.081 175.081 175.205 -0.124 19766 2290 1 4 . 1 1 60 60 GLU CA C 60 59.053 59.053 56.305 2.748 19766 2291 1 4 . 1 1 60 60 GLU CB C 60 30.867 30.867 28.722 2.145 19766 2292 1 4 . 1 1 60 60 GLU H H 60 8.973 8.973 7.950 1.023 19766 2293 1 4 . 1 1 61 61 ASP N N 61 117.604 117.604 119.881 -2.277 19766 2294 1 4 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.697 0.169 19766 2295 1 4 . 1 1 61 61 ASP C C 61 176.598 176.598 175.188 1.410 19766 2296 1 4 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.165 -2.053 19766 2297 1 4 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.665 -0.241 19766 2298 1 4 . 1 1 61 61 ASP H H 61 8.017 8.017 7.600 0.417 19766 2299 1 4 . 1 1 62 62 GLN N N 62 126.427 126.427 126.497 -0.070 19766 2300 1 4 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.320 -0.050 19766 2301 1 4 . 1 1 62 62 GLN C C 62 178.514 178.514 177.506 1.008 19766 2302 1 4 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.421 0.084 19766 2303 1 4 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.121 -1.148 19766 2304 1 4 . 1 1 62 62 GLN H H 62 9.007 9.007 8.886 0.121 19766 2305 1 4 . 1 1 63 63 ARG N N 63 121.369 121.369 119.522 1.847 19766 2306 1 4 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.200 -0.480 19766 2307 1 4 . 1 1 63 63 ARG C C 63 178.566 178.566 178.609 -0.043 19766 2308 1 4 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.217 -0.135 19766 2309 1 4 . 1 1 63 63 ARG H H 63 9.013 9.013 8.934 0.079 19766 2310 1 4 . 1 1 64 64 SER N N 64 115.216 115.216 113.916 1.300 19766 2311 1 4 . 1 1 64 64 SER HA H 64 3.746 3.746 4.387 -0.641 19766 2312 1 4 . 1 1 64 64 SER C C 64 175.695 175.695 176.288 -0.593 19766 2313 1 4 . 1 1 64 64 SER CA C 64 63.651 63.651 61.360 2.291 19766 2314 1 4 . 1 1 64 64 SER H H 64 8.207 8.207 8.189 0.018 19766 2315 1 4 . 1 1 65 65 THR N N 65 111.402 111.402 120.075 -8.673 19766 2316 1 4 . 1 1 65 65 THR HA H 65 3.785 3.785 4.183 -0.398 19766 2317 1 4 . 1 1 65 65 THR C C 65 175.556 175.556 176.362 -0.806 19766 2318 1 4 . 1 1 65 65 THR CA C 65 66.178 66.178 67.231 -1.053 19766 2319 1 4 . 1 1 65 65 THR CB C 65 68.414 68.414 68.731 -0.317 19766 2320 1 4 . 1 1 65 65 THR H H 65 7.640 7.640 7.594 0.046 19766 2321 1 4 . 1 1 66 66 ILE N N 66 122.905 122.905 121.762 1.143 19766 2322 1 4 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.909 -0.207 19766 2323 1 4 . 1 1 66 66 ILE C C 66 177.292 177.292 178.009 -0.717 19766 2324 1 4 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.088 -0.834 19766 2325 1 4 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.763 0.636 19766 2326 1 4 . 1 1 66 66 ILE H H 66 6.702 6.702 7.653 -0.951 19766 2327 1 4 . 1 1 67 67 LEU N N 67 114.425 114.425 120.033 -5.608 19766 2328 1 4 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.736 -0.006 19766 2329 1 4 . 1 1 67 67 LEU C C 67 179.641 179.641 178.682 0.959 19766 2330 1 4 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.742 -0.155 19766 2331 1 4 . 1 1 67 67 LEU CB C 67 41.682 41.682 40.950 0.732 19766 2332 1 4 . 1 1 67 67 LEU H H 67 6.975 6.975 7.651 -0.676 19766 2333 1 4 . 1 1 68 68 ALA N N 68 120.639 120.639 121.111 -0.472 19766 2334 1 4 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.448 -0.013 19766 2335 1 4 . 1 1 68 68 ALA C C 68 179.087 179.087 179.572 -0.485 19766 2336 1 4 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.823 0.913 19766 2337 1 4 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.207 0.805 19766 2338 1 4 . 1 1 68 68 ALA H H 68 8.225 8.225 7.484 0.741 19766 2339 1 4 . 1 1 69 69 VAL N N 69 118.866 118.866 117.140 1.726 19766 2340 1 4 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.716 -0.477 19766 2341 1 4 . 1 1 69 69 VAL C C 69 178.798 178.798 177.703 1.095 19766 2342 1 4 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.280 0.745 19766 2343 1 4 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.210 0.627 19766 2344 1 4 . 1 1 69 69 VAL H H 69 8.162 8.162 7.590 0.572 19766 2345 1 4 . 1 1 70 70 ASP N N 70 117.230 117.230 116.830 0.400 19766 2346 1 4 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.579 -0.525 19766 2347 1 4 . 1 1 70 70 ASP C C 70 178.297 178.297 177.292 1.005 19766 2348 1 4 . 1 1 70 70 ASP CA C 70 57.269 57.269 55.761 1.508 19766 2349 1 4 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.835 -2.213 19766 2350 1 4 . 1 1 70 70 ASP H H 70 8.262 8.262 7.928 0.334 19766 2351 1 4 . 1 1 71 71 ASN N N 71 111.214 111.214 117.729 -6.515 19766 2352 1 4 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.642 0.221 19766 2353 1 4 . 1 1 71 71 ASN C C 71 176.614 176.614 177.060 -0.446 19766 2354 1 4 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.970 0.631 19766 2355 1 4 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.236 2.365 19766 2356 1 4 . 1 1 71 71 ASN H H 71 7.541 7.541 7.790 -0.249 19766 2357 1 4 . 1 1 72 72 LEU N N 72 116.127 116.127 119.473 -3.346 19766 2358 1 4 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.128 0.521 19766 2359 1 4 . 1 1 72 72 LEU C C 72 177.465 177.465 176.608 0.857 19766 2360 1 4 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.845 -1.494 19766 2361 1 4 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.127 0.421 19766 2362 1 4 . 1 1 72 72 LEU H H 72 8.323 8.323 7.556 0.767 19766 2363 1 4 . 1 1 73 73 ASN N N 73 118.792 118.792 116.914 1.878 19766 2364 1 4 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.481 -0.070 19766 2365 1 4 . 1 1 73 73 ASN C C 73 177.085 177.085 176.255 0.830 19766 2366 1 4 . 1 1 73 73 ASN CA C 73 56.554 56.554 55.244 1.310 19766 2367 1 4 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.519 0.939 19766 2368 1 4 . 1 1 73 73 ASN H H 73 6.965 6.965 7.504 -0.539 19766 2369 1 4 . 1 1 74 74 GLY N N 74 115.779 115.779 113.994 1.785 19766 2370 1 4 . 1 1 74 74 GLY C C 74 172.848 172.848 173.940 -1.092 19766 2371 1 4 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.897 0.861 19766 2372 1 4 . 1 1 74 74 GLY H H 74 9.389 9.389 8.736 0.653 19766 2373 1 4 . 1 1 75 75 PHE N N 75 123.194 123.194 123.298 -0.104 19766 2374 1 4 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.409 -0.122 19766 2375 1 4 . 1 1 75 75 PHE C C 75 174.778 174.778 174.721 0.057 19766 2376 1 4 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.810 1.063 19766 2377 1 4 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.237 1.365 19766 2378 1 4 . 1 1 75 75 PHE H H 75 8.133 8.133 8.050 0.083 19766 2379 1 4 . 1 1 76 76 LYS N N 76 127.364 127.364 128.709 -1.345 19766 2380 1 4 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.256 0.415 19766 2381 1 4 . 1 1 76 76 LYS C C 76 175.286 175.286 175.277 0.009 19766 2382 1 4 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.940 0.312 19766 2383 1 4 . 1 1 76 76 LYS CB C 76 33.201 33.201 31.833 1.368 19766 2384 1 4 . 1 1 76 76 LYS H H 76 7.596 7.596 8.021 -0.425 19766 2385 1 4 . 1 1 77 77 ILE N N 77 120.094 120.094 127.847 -7.753 19766 2386 1 4 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.161 0.197 19766 2387 1 4 . 1 1 77 77 ILE C C 77 177.519 177.519 175.963 1.556 19766 2388 1 4 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.580 -0.077 19766 2389 1 4 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.734 0.902 19766 2390 1 4 . 1 1 77 77 ILE H H 77 8.004 8.004 8.896 -0.892 19766 2391 1 4 . 1 1 78 78 GLY N N 78 119.932 119.932 116.540 3.392 19766 2392 1 4 . 1 1 78 78 GLY C C 78 175.944 175.944 175.114 0.830 19766 2393 1 4 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.287 1.932 19766 2394 1 4 . 1 1 78 78 GLY H H 78 10.183 10.183 9.076 1.107 19766 2395 1 4 . 1 1 79 79 GLY N N 79 104.505 104.505 104.052 0.453 19766 2396 1 4 . 1 1 79 79 GLY C C 79 173.347 173.347 173.943 -0.596 19766 2397 1 4 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.923 0.169 19766 2398 1 4 . 1 1 79 79 GLY H H 79 8.892 8.892 8.236 0.656 19766 2399 1 4 . 1 1 80 80 ARG N N 80 119.144 119.144 121.529 -2.385 19766 2400 1 4 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.586 0.080 19766 2401 1 4 . 1 1 80 80 ARG C C 80 174.693 174.693 174.247 0.446 19766 2402 1 4 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.207 0.471 19766 2403 1 4 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.379 1.028 19766 2404 1 4 . 1 1 80 80 ARG H H 80 7.281 7.281 7.855 -0.574 19766 2405 1 4 . 1 1 81 81 ALA N N 81 126.229 126.229 128.821 -2.592 19766 2406 1 4 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.190 -0.989 19766 2407 1 4 . 1 1 81 81 ALA C C 81 176.967 176.967 177.718 -0.751 19766 2408 1 4 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.316 0.812 19766 2409 1 4 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.534 -0.334 19766 2410 1 4 . 1 1 81 81 ALA H H 81 8.673 8.673 8.577 0.096 19766 2411 1 4 . 1 1 82 82 LEU N N 82 125.471 125.471 121.965 3.506 19766 2412 1 4 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.694 -0.270 19766 2413 1 4 . 1 1 82 82 LEU C C 82 177.436 177.436 176.118 1.318 19766 2414 1 4 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.804 1.346 19766 2415 1 4 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.670 0.602 19766 2416 1 4 . 1 1 82 82 LEU H H 82 8.702 8.702 7.905 0.797 19766 2417 1 4 . 1 1 83 83 LYS N N 83 123.609 123.609 121.995 1.614 19766 2418 1 4 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.188 -0.183 19766 2419 1 4 . 1 1 83 83 LYS C C 83 174.759 174.759 175.350 -0.591 19766 2420 1 4 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.524 0.261 19766 2421 1 4 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.835 -0.389 19766 2422 1 4 . 1 1 83 83 LYS H H 83 7.853 7.853 8.581 -0.728 19766 2423 1 4 . 1 1 84 84 ILE N N 84 125.547 125.547 128.579 -3.032 19766 2424 1 4 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.562 0.137 19766 2425 1 4 . 1 1 84 84 ILE C C 84 174.989 174.989 175.712 -0.723 19766 2426 1 4 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.933 -1.514 19766 2427 1 4 . 1 1 84 84 ILE CB C 84 40.367 40.367 39.924 0.443 19766 2428 1 4 . 1 1 84 84 ILE H H 84 8.719 8.719 9.173 -0.454 19766 2429 1 4 . 1 1 85 85 ASP N N 85 124.650 124.650 126.817 -2.167 19766 2430 1 4 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.068 -0.064 19766 2431 1 4 . 1 1 85 85 ASP C C 85 175.302 175.302 175.077 0.225 19766 2432 1 4 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.465 0.016 19766 2433 1 4 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.767 0.702 19766 2434 1 4 . 1 1 85 85 ASP H H 85 8.826 8.826 9.007 -0.181 19766 2435 1 4 . 1 1 86 86 HIS N N 86 121.936 121.936 123.322 -1.386 19766 2436 1 4 . 1 1 86 86 HIS HA H 86 4.703 4.703 4.951 -0.248 19766 2437 1 4 . 1 1 86 86 HIS C C 86 175.216 175.216 175.274 -0.058 19766 2438 1 4 . 1 1 86 86 HIS CA C 86 57.944 57.944 57.899 0.045 19766 2439 1 4 . 1 1 86 86 HIS CB C 86 31.480 31.480 29.837 1.643 19766 2440 1 4 . 1 1 86 86 HIS H H 86 8.909 8.909 8.975 -0.066 19766 2441 1 4 . 1 1 87 87 THR N N 87 116.612 116.612 119.441 -2.829 19766 2442 1 4 . 1 1 87 87 THR HA H 87 4.688 4.688 4.707 -0.019 19766 2443 1 4 . 1 1 87 87 THR CA C 87 61.030 61.030 61.021 0.009 19766 2444 1 4 . 1 1 87 87 THR CB C 87 69.903 69.903 71.058 -1.155 19766 2445 1 4 . 1 1 87 87 THR H H 87 8.521 8.521 9.355 -0.834 19766 2446 1 4 . 1 1 88 88 PHE N N 88 123.233 123.233 124.611 -1.378 19766 2447 1 4 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.948 0.346 19766 2448 1 4 . 1 1 88 88 PHE C C 88 176.452 176.452 173.547 2.905 19766 2449 1 4 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.293 -0.360 19766 2450 1 4 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.904 0.209 19766 2451 1 4 . 1 1 88 88 PHE H H 88 8.145 8.145 8.469 -0.324 19766 2452 1 4 . 1 1 89 89 TYR N N 89 122.872 122.872 127.586 -4.714 19766 2453 1 4 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.311 -0.237 19766 2454 1 4 . 1 1 89 89 TYR C C 89 173.089 173.089 173.844 -0.755 19766 2455 1 4 . 1 1 89 89 TYR CA C 89 57.529 57.529 57.081 0.447 19766 2456 1 4 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.810 -0.003 19766 2457 1 4 . 1 1 89 89 TYR H H 89 8.242 8.242 7.823 0.419 19766 2458 1 4 . 1 1 90 90 ARG N N 90 128.867 128.867 127.537 1.330 19766 2459 1 4 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.161 0.268 19766 2460 1 4 . 1 1 90 90 ARG CA C 90 51.568 51.568 51.545 0.023 19766 2461 1 4 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.579 1.415 19766 2462 1 4 . 1 1 90 90 ARG H H 90 7.018 7.018 7.834 -0.816 19766 2463 1 4 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.191 -0.001 19766 2464 1 4 . 1 1 91 91 PRO C C 91 176.284 176.284 176.282 0.002 19766 2465 1 4 . 1 1 91 91 PRO CA C 91 62.489 62.489 61.940 0.549 19766 2466 1 4 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.982 1.065 19766 2467 1 4 . 1 1 92 92 LYS N N 92 119.987 119.987 123.875 -3.888 19766 2468 1 4 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.300 0.382 19766 2469 1 4 . 1 1 92 92 LYS CA C 92 54.687 54.687 55.826 -1.139 19766 2470 1 4 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.383 1.676 19766 2471 1 4 . 1 1 92 92 LYS H H 92 8.672 8.672 8.398 0.274 19766 2472 1 4 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.132 0.042 19766 2473 1 4 . 1 1 93 93 ARG C C 93 178.848 178.848 178.413 0.435 19766 2474 1 4 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.439 0.753 19766 2475 1 4 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.126 0.670 19766 2476 1 4 . 1 1 94 94 SER N N 94 112.252 112.252 115.736 -3.484 19766 2477 1 4 . 1 1 94 94 SER HA H 94 4.266 4.266 4.339 -0.073 19766 2478 1 4 . 1 1 94 94 SER C C 94 175.827 175.827 175.220 0.607 19766 2479 1 4 . 1 1 94 94 SER CA C 94 60.087 60.087 61.001 -0.914 19766 2480 1 4 . 1 1 94 94 SER CB C 94 62.266 62.266 62.709 -0.443 19766 2481 1 4 . 1 1 94 94 SER H H 94 8.353 8.353 8.595 -0.242 19766 2482 1 4 . 1 1 95 95 LEU N N 95 122.261 122.261 120.220 2.041 19766 2483 1 4 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.747 -0.082 19766 2484 1 4 . 1 1 95 95 LEU C C 95 175.444 175.444 177.257 -1.813 19766 2485 1 4 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.797 0.307 19766 2486 1 4 . 1 1 95 95 LEU CB C 95 41.912 41.912 42.449 -0.537 19766 2487 1 4 . 1 1 95 95 LEU H H 95 7.229 7.229 7.297 -0.068 19766 2488 1 4 . 1 1 96 96 GLN N N 96 118.873 118.873 120.624 -1.751 19766 2489 1 4 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.170 -0.077 19766 2490 1 4 . 1 1 96 96 GLN C C 96 177.668 177.668 177.368 0.300 19766 2491 1 4 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.194 1.516 19766 2492 1 4 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.169 0.812 19766 2493 1 4 . 1 1 96 96 GLN H H 96 7.390 7.390 7.864 -0.474 19766 2494 1 4 . 1 1 97 97 LYS N N 97 116.416 116.416 119.657 -3.241 19766 2495 1 4 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.071 0.046 19766 2496 1 4 . 1 1 97 97 LYS C C 97 179.237 179.237 179.183 0.054 19766 2497 1 4 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.662 0.731 19766 2498 1 4 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.569 -0.053 19766 2499 1 4 . 1 1 97 97 LYS H H 97 8.595 8.595 8.251 0.344 19766 2500 1 4 . 1 1 98 98 TYR N N 98 123.922 123.922 121.626 2.296 19766 2501 1 4 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.145 -0.008 19766 2502 1 4 . 1 1 98 98 TYR C C 98 177.309 177.309 177.618 -0.309 19766 2503 1 4 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.744 0.485 19766 2504 1 4 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.246 -0.956 19766 2505 1 4 . 1 1 98 98 TYR H H 98 7.558 7.558 8.135 -0.577 19766 2506 1 4 . 1 1 99 99 TYR N N 99 118.047 118.047 117.919 0.128 19766 2507 1 4 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.881 1.227 19766 2508 1 4 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.544 -3.646 19766 2509 1 4 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.091 -0.869 19766 2510 1 4 . 1 1 99 99 TYR H H 99 8.624 8.624 7.656 0.968 19766 2511 1 4 . 1 1 100 100 GLU N N 100 118.804 118.804 118.633 0.171 19766 2512 1 4 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.940 0.126 19766 2513 1 4 . 1 1 100 100 GLU C C 100 178.595 178.595 178.381 0.214 19766 2514 1 4 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.406 0.079 19766 2515 1 4 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.093 0.702 19766 2516 1 4 . 1 1 100 100 GLU H H 100 8.348 8.348 8.762 -0.414 19766 2517 1 4 . 1 1 101 101 ALA N N 101 123.315 123.315 122.038 1.277 19766 2518 1 4 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.039 0.256 19766 2519 1 4 . 1 1 101 101 ALA C C 101 181.438 181.438 179.769 1.669 19766 2520 1 4 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.802 0.056 19766 2521 1 4 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.527 0.150 19766 2522 1 4 . 1 1 101 101 ALA H H 101 7.963 7.963 7.668 0.295 19766 2523 1 4 . 1 1 102 102 VAL N N 102 120.092 120.092 118.458 1.634 19766 2524 1 4 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.474 0.303 19766 2525 1 4 . 1 1 102 102 VAL C C 102 176.958 176.958 178.231 -1.273 19766 2526 1 4 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.277 1.128 19766 2527 1 4 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.638 0.198 19766 2528 1 4 . 1 1 102 102 VAL H H 102 8.321 8.321 7.589 0.732 19766 2529 1 4 . 1 1 103 103 LYS N N 103 120.226 120.226 118.705 1.521 19766 2530 1 4 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.068 -0.142 19766 2531 1 4 . 1 1 103 103 LYS C C 103 178.354 178.354 178.546 -0.192 19766 2532 1 4 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.056 0.627 19766 2533 1 4 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.844 0.332 19766 2534 1 4 . 1 1 103 103 LYS H H 103 8.266 8.266 8.157 0.109 19766 2535 1 4 . 1 1 104 104 GLU N N 104 116.521 116.521 119.762 -3.241 19766 2536 1 4 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.077 -0.116 19766 2537 1 4 . 1 1 104 104 GLU C C 104 178.628 178.628 178.516 0.112 19766 2538 1 4 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.197 -0.087 19766 2539 1 4 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.082 0.643 19766 2540 1 4 . 1 1 104 104 GLU H H 104 8.027 8.027 8.165 -0.138 19766 2541 1 4 . 1 1 105 105 GLU N N 105 118.569 118.569 116.708 1.861 19766 2542 1 4 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.302 -0.402 19766 2543 1 4 . 1 1 105 105 GLU C C 105 178.399 178.399 178.453 -0.054 19766 2544 1 4 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.422 0.842 19766 2545 1 4 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.985 -0.211 19766 2546 1 4 . 1 1 105 105 GLU H H 105 7.225 7.225 7.692 -0.467 19766 2547 1 4 . 1 1 106 106 LEU N N 106 116.938 116.938 119.158 -2.220 19766 2548 1 4 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.238 -0.205 19766 2549 1 4 . 1 1 106 106 LEU C C 106 179.770 179.770 179.118 0.652 19766 2550 1 4 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.946 -0.021 19766 2551 1 4 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.123 -1.838 19766 2552 1 4 . 1 1 106 106 LEU H H 106 8.273 8.273 7.283 0.990 19766 2553 1 4 . 1 1 107 107 ASP N N 107 119.855 119.855 119.393 0.462 19766 2554 1 4 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.286 0.262 19766 2555 1 4 . 1 1 107 107 ASP C C 107 177.891 177.891 177.828 0.063 19766 2556 1 4 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.450 -1.516 19766 2557 1 4 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.781 -0.067 19766 2558 1 4 . 1 1 107 107 ASP H H 107 8.286 8.286 8.882 -0.596 19766 2559 1 4 . 1 1 108 108 ARG N N 108 118.853 118.853 116.809 2.044 19766 2560 1 4 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.079 0.002 19766 2561 1 4 . 1 1 108 108 ARG C C 108 177.325 177.325 178.797 -1.472 19766 2562 1 4 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.474 -0.465 19766 2563 1 4 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.654 0.750 19766 2564 1 4 . 1 1 108 108 ARG H H 108 7.406 7.406 8.217 -0.811 19766 2565 1 4 . 1 1 109 109 ASP N N 109 119.636 119.636 118.662 0.974 19766 2566 1 4 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.574 -0.039 19766 2567 1 4 . 1 1 109 109 ASP C C 109 176.758 176.758 177.470 -0.712 19766 2568 1 4 . 1 1 109 109 ASP CA C 109 55.238 55.238 56.254 -1.016 19766 2569 1 4 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.202 -0.457 19766 2570 1 4 . 1 1 109 109 ASP H H 109 7.853 7.853 7.961 -0.108 19766 2571 1 4 . 1 1 110 110 ILE N N 110 119.905 119.905 118.879 1.026 19766 2572 1 4 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.975 0.129 19766 2573 1 4 . 1 1 110 110 ILE C C 110 176.642 176.642 176.653 -0.011 19766 2574 1 4 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.953 -2.177 19766 2575 1 4 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.719 -0.265 19766 2576 1 4 . 1 1 110 110 ILE H H 110 7.623 7.623 7.274 0.348 19766 2577 1 4 . 1 1 111 111 VAL N N 111 122.938 122.938 119.336 3.602 19766 2578 1 4 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.984 0.094 19766 2579 1 4 . 1 1 111 111 VAL C C 111 176.668 176.668 175.699 0.969 19766 2580 1 4 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.798 0.239 19766 2581 1 4 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.621 -1.139 19766 2582 1 4 . 1 1 111 111 VAL H H 111 8.043 8.043 8.171 -0.128 19766 2583 1 4 . 1 1 112 112 SER N N 112 118.345 118.345 124.466 -6.121 19766 2584 1 4 . 1 1 112 112 SER HA H 112 4.417 4.417 4.551 -0.134 19766 2585 1 4 . 1 1 112 112 SER C C 112 174.925 174.925 173.622 1.303 19766 2586 1 4 . 1 1 112 112 SER CA C 112 58.848 58.848 59.321 -0.473 19766 2587 1 4 . 1 1 112 112 SER CB C 112 63.551 63.551 61.666 1.885 19766 2588 1 4 . 1 1 112 112 SER H H 112 8.210 8.210 8.691 -0.481 19766 2589 1 4 . 1 1 113 113 LYS N N 113 122.729 122.729 124.949 -2.220 19766 2590 1 4 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.298 0.020 19766 2591 1 4 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.758 -0.162 19766 2592 1 4 . 1 1 113 113 LYS CB C 113 32.846 32.846 32.803 0.043 19766 2593 1 4 . 1 1 113 113 LYS H H 113 8.295 8.295 8.137 0.158 19766 2594 1 4 . 1 1 114 114 ASN N N 114 119.243 119.243 119.144 0.099 19766 2595 1 4 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.937 -0.259 19766 2596 1 4 . 1 1 114 114 ASN CA C 114 53.483 53.483 52.339 1.144 19766 2597 1 4 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.066 -0.208 19766 2598 1 4 . 1 1 114 114 ASN H H 114 8.372 8.372 7.991 0.381 19766 2599 1 4 . 1 1 115 115 ASN N N 115 119.155 119.155 117.332 1.823 19766 2600 1 4 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.810 -0.128 19766 2601 1 4 . 1 1 115 115 ASN C C 115 174.877 174.877 175.018 -0.141 19766 2602 1 4 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.242 0.241 19766 2603 1 4 . 1 1 115 115 ASN CB C 115 38.858 38.858 38.802 0.056 19766 2604 1 4 . 1 1 115 115 ASN H H 115 8.372 8.372 8.563 -0.191 19766 2605 1 4 . 1 1 116 116 ALA N N 116 123.743 123.743 123.549 0.194 19766 2606 1 4 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.409 -0.080 19766 2607 1 4 . 1 1 116 116 ALA C C 116 177.574 177.574 177.642 -0.068 19766 2608 1 4 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.531 0.162 19766 2609 1 4 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.185 0.162 19766 2610 1 4 . 1 1 116 116 ALA H H 116 8.116 8.116 8.396 -0.280 19766 2611 1 4 . 1 1 117 117 GLU N N 117 120.161 120.161 120.038 0.123 19766 2612 1 4 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.205 0.068 19766 2613 1 4 . 1 1 117 117 GLU C C 117 175.557 175.557 176.785 -1.228 19766 2614 1 4 . 1 1 117 117 GLU CA C 117 56.659 56.659 57.953 -1.294 19766 2615 1 4 . 1 1 117 117 GLU CB C 117 30.154 30.154 29.826 0.328 19766 2616 1 4 . 1 1 117 117 GLU H H 117 8.220 8.220 8.549 -0.329 19766 2617 1 5 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.009 0.331 19766 2618 1 5 . 1 1 2 2 ALA C C 2 177.830 177.830 177.329 0.501 19766 2619 1 5 . 1 1 2 2 ALA CA C 2 52.693 52.693 53.486 -0.792 19766 2620 1 5 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.313 1.046 19766 2621 1 5 . 1 1 3 3 MET N N 3 119.580 119.580 122.127 -2.547 19766 2622 1 5 . 1 1 3 3 MET HA H 3 4.482 4.482 4.482 -0.000 19766 2623 1 5 . 1 1 3 3 MET C C 3 176.714 176.714 177.529 -0.815 19766 2624 1 5 . 1 1 3 3 MET CA C 3 55.590 55.590 54.832 0.758 19766 2625 1 5 . 1 1 3 3 MET CB C 3 32.922 32.922 33.568 -0.646 19766 2626 1 5 . 1 1 3 3 MET H H 3 8.451 8.451 7.889 0.562 19766 2627 1 5 . 1 1 4 4 GLY N N 4 109.951 109.951 112.830 -2.879 19766 2628 1 5 . 1 1 4 4 GLY C C 4 174.082 174.082 174.236 -0.154 19766 2629 1 5 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.643 0.823 19766 2630 1 5 . 1 1 4 4 GLY H H 4 8.400 8.400 8.646 -0.246 19766 2631 1 5 . 1 1 5 5 ASN N N 5 118.667 118.667 118.687 -0.020 19766 2632 1 5 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.913 -0.229 19766 2633 1 5 . 1 1 5 5 ASN C C 5 175.489 175.489 176.145 -0.656 19766 2634 1 5 . 1 1 5 5 ASN CA C 5 53.501 53.501 53.659 -0.158 19766 2635 1 5 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.794 0.172 19766 2636 1 5 . 1 1 5 5 ASN H H 5 8.378 8.378 8.226 0.152 19766 2637 1 5 . 1 1 6 6 GLU N N 6 120.908 120.908 120.370 0.538 19766 2638 1 5 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.077 0.089 19766 2639 1 5 . 1 1 6 6 GLU C C 6 176.336 176.336 176.832 -0.496 19766 2640 1 5 . 1 1 6 6 GLU CA C 6 57.269 57.269 58.167 -0.898 19766 2641 1 5 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.698 0.038 19766 2642 1 5 . 1 1 6 6 GLU H H 6 8.620 8.620 8.074 0.546 19766 2643 1 5 . 1 1 7 7 TYR N N 7 120.339 120.339 114.361 5.978 19766 2644 1 5 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.305 0.195 19766 2645 1 5 . 1 1 7 7 TYR C C 7 175.808 175.808 176.491 -0.683 19766 2646 1 5 . 1 1 7 7 TYR CA C 7 58.151 58.151 58.395 -0.244 19766 2647 1 5 . 1 1 7 7 TYR CB C 7 38.194 38.194 36.495 1.700 19766 2648 1 5 . 1 1 7 7 TYR H H 7 8.045 8.045 8.069 -0.024 19766 2649 1 5 . 1 1 8 8 LYS N N 8 121.700 121.700 119.682 2.018 19766 2650 1 5 . 1 1 8 8 LYS HA H 8 4.150 4.150 3.851 0.299 19766 2651 1 5 . 1 1 8 8 LYS C C 8 175.868 175.868 175.923 -0.055 19766 2652 1 5 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.862 -1.300 19766 2653 1 5 . 1 1 8 8 LYS CB C 8 33.158 33.158 31.684 1.474 19766 2654 1 5 . 1 1 8 8 LYS H H 8 7.829 7.829 8.246 -0.417 19766 2655 1 5 . 1 1 9 9 ASP N N 9 119.811 119.811 116.405 3.406 19766 2656 1 5 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.542 0.096 19766 2657 1 5 . 1 1 9 9 ASP C C 9 175.972 175.972 175.499 0.473 19766 2658 1 5 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.021 0.603 19766 2659 1 5 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.136 1.403 19766 2660 1 5 . 1 1 9 9 ASP H H 9 8.137 8.137 8.080 0.057 19766 2661 1 5 . 1 1 10 10 ASN N N 10 119.794 119.794 119.379 0.415 19766 2662 1 5 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.099 -0.127 19766 2663 1 5 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.983 -0.138 19766 2664 1 5 . 1 1 10 10 ASN CB C 10 38.759 38.759 41.052 -2.293 19766 2665 1 5 . 1 1 10 10 ASN H H 10 8.292 8.292 7.808 0.484 19766 2666 1 5 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.405 0.198 19766 2667 1 5 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.684 -0.435 19766 2668 1 5 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.388 -0.200 19766 2669 1 5 . 1 1 12 12 TYR N N 12 118.889 118.889 118.550 0.339 19766 2670 1 5 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.393 -0.249 19766 2671 1 5 . 1 1 12 12 TYR C C 12 177.773 177.773 175.840 1.933 19766 2672 1 5 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.458 -1.275 19766 2673 1 5 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.694 2.888 19766 2674 1 5 . 1 1 12 12 TYR H H 12 8.057 8.057 7.984 0.073 19766 2675 1 5 . 1 1 13 13 ILE N N 13 112.765 112.765 118.499 -5.734 19766 2676 1 5 . 1 1 13 13 ILE HA H 13 5.154 5.154 4.990 0.164 19766 2677 1 5 . 1 1 13 13 ILE C C 13 174.312 174.312 174.412 -0.100 19766 2678 1 5 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.324 0.712 19766 2679 1 5 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.249 -1.353 19766 2680 1 5 . 1 1 13 13 ILE H H 13 9.310 9.310 9.350 -0.040 19766 2681 1 5 . 1 1 14 14 TYR N N 14 124.417 124.417 127.970 -3.553 19766 2682 1 5 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.868 -0.161 19766 2683 1 5 . 1 1 14 14 TYR C C 14 173.058 173.058 173.754 -0.696 19766 2684 1 5 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.399 -1.187 19766 2685 1 5 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.840 0.379 19766 2686 1 5 . 1 1 14 14 TYR H H 14 9.252 9.252 9.197 0.055 19766 2687 1 5 . 1 1 15 15 ILE N N 15 127.660 127.660 127.402 0.258 19766 2688 1 5 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.863 -0.598 19766 2689 1 5 . 1 1 15 15 ILE C C 15 173.705 173.705 174.354 -0.649 19766 2690 1 5 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.577 -0.091 19766 2691 1 5 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.306 0.696 19766 2692 1 5 . 1 1 15 15 ILE H H 15 8.558 8.558 8.515 0.043 19766 2693 1 5 . 1 1 16 16 GLY N N 16 112.792 112.792 112.001 0.791 19766 2694 1 5 . 1 1 16 16 GLY C C 16 173.110 173.110 172.938 0.172 19766 2695 1 5 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.722 0.527 19766 2696 1 5 . 1 1 16 16 GLY H H 16 9.516 9.516 8.723 0.793 19766 2697 1 5 . 1 1 17 17 ASN N N 17 115.139 115.139 115.499 -0.360 19766 2698 1 5 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.215 0.181 19766 2699 1 5 . 1 1 17 17 ASN C C 17 174.854 174.854 174.821 0.033 19766 2700 1 5 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.920 -0.684 19766 2701 1 5 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.237 -0.304 19766 2702 1 5 . 1 1 17 17 ASN H H 17 8.511 8.511 8.489 0.022 19766 2703 1 5 . 1 1 18 18 LEU N N 18 114.660 114.660 117.189 -2.529 19766 2704 1 5 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.219 -0.183 19766 2705 1 5 . 1 1 18 18 LEU C C 18 178.161 178.161 176.639 1.522 19766 2706 1 5 . 1 1 18 18 LEU CA C 18 53.884 53.884 55.051 -1.167 19766 2707 1 5 . 1 1 18 18 LEU CB C 18 42.562 42.562 42.423 0.139 19766 2708 1 5 . 1 1 18 18 LEU H H 18 7.839 7.839 7.239 0.600 19766 2709 1 5 . 1 1 19 19 ASN N N 19 122.707 122.707 119.350 3.357 19766 2710 1 5 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.563 -0.200 19766 2711 1 5 . 1 1 19 19 ASN C C 19 178.037 178.037 176.823 1.214 19766 2712 1 5 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.060 1.544 19766 2713 1 5 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.205 -1.393 19766 2714 1 5 . 1 1 19 19 ASN H H 19 8.779 8.779 8.744 0.035 19766 2715 1 5 . 1 1 20 20 ARG N N 20 128.724 128.724 123.477 5.247 19766 2716 1 5 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.948 -0.095 19766 2717 1 5 . 1 1 20 20 ARG C C 20 175.612 175.612 176.507 -0.895 19766 2718 1 5 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.426 0.347 19766 2719 1 5 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.273 -0.588 19766 2720 1 5 . 1 1 20 20 ARG H H 20 8.954 8.954 8.807 0.147 19766 2721 1 5 . 1 1 21 21 GLU N N 21 117.609 117.609 115.670 1.939 19766 2722 1 5 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.305 -0.032 19766 2723 1 5 . 1 1 21 21 GLU C C 21 177.285 177.285 176.665 0.620 19766 2724 1 5 . 1 1 21 21 GLU CA C 21 56.782 56.782 55.689 1.093 19766 2725 1 5 . 1 1 21 21 GLU CB C 21 30.498 30.498 29.191 1.307 19766 2726 1 5 . 1 1 21 21 GLU H H 21 9.092 9.092 7.806 1.286 19766 2727 1 5 . 1 1 22 22 LEU N N 22 116.169 116.169 122.017 -5.848 19766 2728 1 5 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.520 0.036 19766 2729 1 5 . 1 1 22 22 LEU C C 22 178.328 178.328 176.683 1.645 19766 2730 1 5 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.909 0.747 19766 2731 1 5 . 1 1 22 22 LEU CB C 22 42.226 42.226 42.022 0.204 19766 2732 1 5 . 1 1 22 22 LEU H H 22 7.208 7.208 7.592 -0.384 19766 2733 1 5 . 1 1 23 23 THR N N 23 113.733 113.733 117.983 -4.250 19766 2734 1 5 . 1 1 23 23 THR HA H 23 4.349 4.349 4.754 -0.405 19766 2735 1 5 . 1 1 23 23 THR C C 23 175.225 175.225 175.329 -0.104 19766 2736 1 5 . 1 1 23 23 THR CA C 23 59.960 59.960 59.476 0.484 19766 2737 1 5 . 1 1 23 23 THR CB C 23 72.172 72.172 71.296 0.876 19766 2738 1 5 . 1 1 23 23 THR H H 23 8.732 8.732 9.268 -0.536 19766 2739 1 5 . 1 1 24 24 GLU N N 24 119.838 119.838 121.448 -1.610 19766 2740 1 5 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.957 -0.300 19766 2741 1 5 . 1 1 24 24 GLU C C 24 178.983 178.983 179.298 -0.315 19766 2742 1 5 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.912 2.659 19766 2743 1 5 . 1 1 24 24 GLU CB C 24 27.346 27.346 28.812 -1.466 19766 2744 1 5 . 1 1 24 24 GLU H H 24 9.761 9.761 8.951 0.810 19766 2745 1 5 . 1 1 25 25 GLY N N 25 104.462 104.462 106.694 -2.232 19766 2746 1 5 . 1 1 25 25 GLY C C 25 175.139 175.139 175.993 -0.854 19766 2747 1 5 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.997 0.608 19766 2748 1 5 . 1 1 25 25 GLY H H 25 8.486 8.486 8.717 -0.231 19766 2749 1 5 . 1 1 26 26 ASP N N 26 123.296 123.296 123.039 0.257 19766 2750 1 5 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.478 0.092 19766 2751 1 5 . 1 1 26 26 ASP C C 26 178.135 178.135 178.650 -0.515 19766 2752 1 5 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.638 0.174 19766 2753 1 5 . 1 1 26 26 ASP CB C 26 41.885 41.885 40.853 1.032 19766 2754 1 5 . 1 1 26 26 ASP H H 26 7.960 7.960 7.660 0.300 19766 2755 1 5 . 1 1 27 27 ILE N N 27 118.853 118.853 120.892 -2.039 19766 2756 1 5 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.802 -0.195 19766 2757 1 5 . 1 1 27 27 ILE C C 27 178.424 178.424 178.209 0.215 19766 2758 1 5 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.085 0.656 19766 2759 1 5 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.792 -0.080 19766 2760 1 5 . 1 1 27 27 ILE H H 27 8.159 8.159 7.349 0.810 19766 2761 1 5 . 1 1 28 28 LEU N N 28 118.549 118.549 120.395 -1.846 19766 2762 1 5 . 1 1 28 28 LEU HA H 28 3.904 3.904 4.053 -0.149 19766 2763 1 5 . 1 1 28 28 LEU C C 28 180.057 180.057 180.051 0.006 19766 2764 1 5 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.034 0.497 19766 2765 1 5 . 1 1 28 28 LEU CB C 28 41.945 41.945 40.003 1.942 19766 2766 1 5 . 1 1 28 28 LEU H H 28 8.414 8.414 8.596 -0.182 19766 2767 1 5 . 1 1 29 29 THR N N 29 122.156 122.156 115.295 6.861 19766 2768 1 5 . 1 1 29 29 THR HA H 29 4.032 4.032 4.038 -0.006 19766 2769 1 5 . 1 1 29 29 THR C C 29 175.113 175.113 176.446 -1.333 19766 2770 1 5 . 1 1 29 29 THR CA C 29 66.754 66.754 66.047 0.707 19766 2771 1 5 . 1 1 29 29 THR CB C 29 68.490 68.490 68.732 -0.242 19766 2772 1 5 . 1 1 29 29 THR H H 29 8.715 8.715 7.700 1.015 19766 2773 1 5 . 1 1 30 30 VAL N N 30 116.487 116.487 120.131 -3.644 19766 2774 1 5 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.750 0.081 19766 2775 1 5 . 1 1 30 30 VAL C C 30 179.968 179.968 177.801 2.167 19766 2776 1 5 . 1 1 30 30 VAL CA C 30 65.515 65.515 66.253 -0.738 19766 2777 1 5 . 1 1 30 30 VAL CB C 30 33.044 33.044 32.031 1.013 19766 2778 1 5 . 1 1 30 30 VAL H H 30 7.713 7.713 7.794 -0.081 19766 2779 1 5 . 1 1 31 31 PHE N N 31 113.658 113.658 118.933 -5.275 19766 2780 1 5 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.830 -0.963 19766 2781 1 5 . 1 1 31 31 PHE C C 31 179.577 179.577 178.420 1.157 19766 2782 1 5 . 1 1 31 31 PHE CA C 31 62.403 62.403 59.527 2.876 19766 2783 1 5 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.512 -1.199 19766 2784 1 5 . 1 1 31 31 PHE H H 31 8.876 8.876 9.126 -0.250 19766 2785 1 5 . 1 1 32 32 SER N N 32 118.635 118.635 116.034 2.601 19766 2786 1 5 . 1 1 32 32 SER HA H 32 5.381 5.381 4.544 0.837 19766 2787 1 5 . 1 1 32 32 SER C C 32 172.662 172.662 175.956 -3.294 19766 2788 1 5 . 1 1 32 32 SER CA C 32 61.338 61.338 61.262 0.076 19766 2789 1 5 . 1 1 32 32 SER CB C 32 63.875 63.875 62.910 0.965 19766 2790 1 5 . 1 1 32 32 SER H H 32 8.106 8.106 8.201 -0.095 19766 2791 1 5 . 1 1 33 33 GLU N N 33 121.234 121.234 120.845 0.389 19766 2792 1 5 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.005 -1.848 19766 2793 1 5 . 1 1 33 33 GLU C C 33 174.223 174.223 176.157 -1.934 19766 2794 1 5 . 1 1 33 33 GLU CA C 33 59.640 59.640 57.103 2.537 19766 2795 1 5 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.278 -1.447 19766 2796 1 5 . 1 1 33 33 GLU H H 33 6.964 6.964 7.520 -0.556 19766 2797 1 5 . 1 1 34 34 TYR N N 34 107.930 107.930 117.879 -9.949 19766 2798 1 5 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.652 -0.499 19766 2799 1 5 . 1 1 34 34 TYR C C 34 173.208 173.208 174.452 -1.244 19766 2800 1 5 . 1 1 34 34 TYR CA C 34 57.329 57.329 56.903 0.426 19766 2801 1 5 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.588 0.290 19766 2802 1 5 . 1 1 34 34 TYR H H 34 6.229 6.229 7.534 -1.305 19766 2803 1 5 . 1 1 35 35 GLY N N 35 103.542 103.542 106.034 -2.492 19766 2804 1 5 . 1 1 35 35 GLY C C 35 170.379 170.379 172.078 -1.699 19766 2805 1 5 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.781 -0.102 19766 2806 1 5 . 1 1 35 35 GLY H H 35 7.257 7.257 7.446 -0.189 19766 2807 1 5 . 1 1 36 36 VAL N N 36 120.446 120.446 120.931 -0.485 19766 2808 1 5 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.631 -0.127 19766 2809 1 5 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.013 0.702 19766 2810 1 5 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.705 0.327 19766 2811 1 5 . 1 1 36 36 VAL H H 36 8.438 8.438 8.479 -0.041 19766 2812 1 5 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.303 0.400 19766 2813 1 5 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.614 -0.240 19766 2814 1 5 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.462 0.609 19766 2815 1 5 . 1 1 38 38 VAL N N 38 113.929 113.929 118.251 -4.322 19766 2816 1 5 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.136 0.345 19766 2817 1 5 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.164 -1.710 19766 2818 1 5 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.532 -0.028 19766 2819 1 5 . 1 1 38 38 VAL H H 38 8.966 8.966 8.564 0.402 19766 2820 1 5 . 1 1 39 39 ASP N N 39 118.213 118.213 117.589 0.624 19766 2821 1 5 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.828 -0.153 19766 2822 1 5 . 1 1 39 39 ASP C C 39 174.637 174.637 173.571 1.066 19766 2823 1 5 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.106 0.582 19766 2824 1 5 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.275 -0.468 19766 2825 1 5 . 1 1 39 39 ASP H H 39 7.500 7.500 7.644 -0.144 19766 2826 1 5 . 1 1 40 40 VAL N N 40 121.576 121.576 121.909 -0.333 19766 2827 1 5 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.796 0.195 19766 2828 1 5 . 1 1 40 40 VAL C C 40 170.562 170.562 173.346 -2.784 19766 2829 1 5 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.912 0.446 19766 2830 1 5 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.812 -0.593 19766 2831 1 5 . 1 1 40 40 VAL H H 40 7.657 7.657 8.449 -0.792 19766 2832 1 5 . 1 1 41 41 ILE N N 41 125.384 125.384 122.683 2.701 19766 2833 1 5 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.591 0.227 19766 2834 1 5 . 1 1 41 41 ILE C C 41 175.425 175.425 173.064 2.361 19766 2835 1 5 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.123 2.367 19766 2836 1 5 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.299 1.257 19766 2837 1 5 . 1 1 41 41 ILE H H 41 8.901 8.901 8.992 -0.091 19766 2838 1 5 . 1 1 42 42 LEU N N 42 128.888 128.888 126.237 2.651 19766 2839 1 5 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.787 -0.326 19766 2840 1 5 . 1 1 42 42 LEU C C 42 174.934 174.934 175.408 -0.474 19766 2841 1 5 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.057 0.320 19766 2842 1 5 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.612 -0.073 19766 2843 1 5 . 1 1 42 42 LEU H H 42 8.344 8.344 8.910 -0.566 19766 2844 1 5 . 1 1 43 43 SER N N 43 122.818 122.818 121.412 1.406 19766 2845 1 5 . 1 1 43 43 SER HA H 43 3.876 3.876 4.537 -0.661 19766 2846 1 5 . 1 1 43 43 SER C C 43 173.869 173.869 173.221 0.648 19766 2847 1 5 . 1 1 43 43 SER CA C 43 59.688 59.688 58.473 1.215 19766 2848 1 5 . 1 1 43 43 SER CB C 43 62.673 62.673 63.175 -0.502 19766 2849 1 5 . 1 1 43 43 SER H H 43 8.362 8.362 8.842 -0.480 19766 2850 1 5 . 1 1 44 44 ARG N N 44 128.045 128.045 124.554 3.491 19766 2851 1 5 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.877 -0.048 19766 2852 1 5 . 1 1 44 44 ARG C C 44 175.031 175.031 174.426 0.605 19766 2853 1 5 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.811 0.251 19766 2854 1 5 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.336 0.962 19766 2855 1 5 . 1 1 44 44 ARG H H 44 8.079 8.079 7.971 0.108 19766 2856 1 5 . 1 1 45 45 ASP N N 45 123.491 123.491 120.763 2.728 19766 2857 1 5 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.510 -0.273 19766 2858 1 5 . 1 1 45 45 ASP C C 45 177.487 177.487 176.775 0.712 19766 2859 1 5 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.372 0.545 19766 2860 1 5 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.792 0.819 19766 2861 1 5 . 1 1 45 45 ASP H H 45 8.663 8.663 8.624 0.039 19766 2862 1 5 . 1 1 46 46 GLU N N 46 125.446 125.446 125.300 0.146 19766 2863 1 5 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.051 -0.144 19766 2864 1 5 . 1 1 46 46 GLU C C 46 175.655 175.655 176.691 -1.036 19766 2865 1 5 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.231 0.642 19766 2866 1 5 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.915 -0.261 19766 2867 1 5 . 1 1 46 46 GLU H H 46 9.007 9.007 8.783 0.224 19766 2868 1 5 . 1 1 47 47 ASN N N 47 115.343 115.343 116.860 -1.517 19766 2869 1 5 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.659 0.225 19766 2870 1 5 . 1 1 47 47 ASN C C 47 176.665 176.665 176.909 -0.244 19766 2871 1 5 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.972 -0.033 19766 2872 1 5 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.715 0.515 19766 2873 1 5 . 1 1 47 47 ASN H H 47 8.947 8.947 8.334 0.613 19766 2874 1 5 . 1 1 48 48 THR N N 48 107.604 107.604 112.277 -4.673 19766 2875 1 5 . 1 1 48 48 THR HA H 48 4.468 4.468 4.476 -0.008 19766 2876 1 5 . 1 1 48 48 THR C C 48 176.465 176.465 175.241 1.224 19766 2877 1 5 . 1 1 48 48 THR CA C 48 61.555 61.555 62.101 -0.546 19766 2878 1 5 . 1 1 48 48 THR CB C 48 71.342 71.342 70.241 1.101 19766 2879 1 5 . 1 1 48 48 THR H H 48 8.450 8.450 8.760 -0.310 19766 2880 1 5 . 1 1 49 49 GLY N N 49 111.809 111.809 110.598 1.211 19766 2881 1 5 . 1 1 49 49 GLY C C 49 173.193 173.193 173.230 -0.037 19766 2882 1 5 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.657 0.066 19766 2883 1 5 . 1 1 49 49 GLY H H 49 8.632 8.632 7.756 0.876 19766 2884 1 5 . 1 1 50 50 GLU N N 50 120.089 120.089 118.306 1.783 19766 2885 1 5 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.338 -0.205 19766 2886 1 5 . 1 1 50 50 GLU C C 50 176.586 176.586 176.526 0.060 19766 2887 1 5 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.875 1.657 19766 2888 1 5 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.135 0.949 19766 2889 1 5 . 1 1 50 50 GLU H H 50 7.825 7.825 7.939 -0.114 19766 2890 1 5 . 1 1 51 51 SER N N 51 115.686 115.686 120.095 -4.409 19766 2891 1 5 . 1 1 51 51 SER HA H 51 4.273 4.273 4.175 0.098 19766 2892 1 5 . 1 1 51 51 SER C C 51 176.516 176.516 174.561 1.955 19766 2893 1 5 . 1 1 51 51 SER CA C 51 58.415 58.415 59.578 -1.163 19766 2894 1 5 . 1 1 51 51 SER CB C 51 64.668 64.668 63.271 1.397 19766 2895 1 5 . 1 1 51 51 SER H H 51 8.871 8.871 8.635 0.236 19766 2896 1 5 . 1 1 52 52 GLN N N 52 123.284 123.284 121.748 1.536 19766 2897 1 5 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.349 0.142 19766 2898 1 5 . 1 1 52 52 GLN C C 52 177.471 177.471 176.895 0.576 19766 2899 1 5 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.012 -0.865 19766 2900 1 5 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.727 0.153 19766 2901 1 5 . 1 1 52 52 GLN H H 52 9.103 9.103 8.679 0.424 19766 2902 1 5 . 1 1 53 53 GLY N N 53 105.865 105.865 106.824 -0.959 19766 2903 1 5 . 1 1 53 53 GLY C C 53 172.010 172.010 172.557 -0.547 19766 2904 1 5 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.933 1.712 19766 2905 1 5 . 1 1 53 53 GLY H H 53 8.888 8.888 7.788 1.100 19766 2906 1 5 . 1 1 54 54 PHE N N 54 112.097 112.097 118.619 -6.522 19766 2907 1 5 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.267 0.079 19766 2908 1 5 . 1 1 54 54 PHE C C 54 171.548 171.548 173.364 -1.816 19766 2909 1 5 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.918 -0.247 19766 2910 1 5 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.798 -2.118 19766 2911 1 5 . 1 1 54 54 PHE H H 54 6.879 6.879 7.144 -0.265 19766 2912 1 5 . 1 1 55 55 ALA N N 55 122.332 122.332 121.169 1.163 19766 2913 1 5 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.940 0.183 19766 2914 1 5 . 1 1 55 55 ALA C C 55 173.074 173.074 174.578 -1.504 19766 2915 1 5 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.908 -1.379 19766 2916 1 5 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.626 3.113 19766 2917 1 5 . 1 1 55 55 ALA H H 55 9.051 9.051 8.873 0.178 19766 2918 1 5 . 1 1 56 56 TYR N N 56 115.022 115.022 115.912 -0.890 19766 2919 1 5 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.849 -0.175 19766 2920 1 5 . 1 1 56 56 TYR C C 56 175.292 175.292 174.220 1.072 19766 2921 1 5 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.765 -1.184 19766 2922 1 5 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.495 -1.148 19766 2923 1 5 . 1 1 56 56 TYR H H 56 9.007 9.007 8.986 0.021 19766 2924 1 5 . 1 1 57 57 LEU N N 57 122.695 122.695 120.482 2.213 19766 2925 1 5 . 1 1 57 57 LEU HA H 57 4.759 4.759 4.933 -0.174 19766 2926 1 5 . 1 1 57 57 LEU C C 57 172.173 172.173 174.026 -1.853 19766 2927 1 5 . 1 1 57 57 LEU CA C 57 54.816 54.816 54.114 0.702 19766 2928 1 5 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.334 0.572 19766 2929 1 5 . 1 1 57 57 LEU H H 57 8.648 8.648 9.083 -0.435 19766 2930 1 5 . 1 1 58 58 LYS N N 58 125.954 125.954 122.440 3.514 19766 2931 1 5 . 1 1 58 58 LYS HA H 58 4.465 4.465 5.089 -0.624 19766 2932 1 5 . 1 1 58 58 LYS C C 58 174.900 174.900 175.107 -0.207 19766 2933 1 5 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.640 -0.017 19766 2934 1 5 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.749 0.797 19766 2935 1 5 . 1 1 58 58 LYS H H 58 7.948 7.948 8.687 -0.739 19766 2936 1 5 . 1 1 59 59 TYR N N 59 126.396 126.396 125.415 0.981 19766 2937 1 5 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.540 0.560 19766 2938 1 5 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.479 -0.505 19766 2939 1 5 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.706 2.792 19766 2940 1 5 . 1 1 59 59 TYR H H 59 9.007 9.007 8.549 0.458 19766 2941 1 5 . 1 1 60 60 GLU N N 60 120.848 120.848 120.187 0.661 19766 2942 1 5 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.026 -0.153 19766 2943 1 5 . 1 1 60 60 GLU C C 60 175.081 175.081 175.827 -0.746 19766 2944 1 5 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.810 0.242 19766 2945 1 5 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.241 0.626 19766 2946 1 5 . 1 1 60 60 GLU H H 60 8.973 8.973 8.611 0.362 19766 2947 1 5 . 1 1 61 61 ASP N N 61 117.604 117.604 114.994 2.610 19766 2948 1 5 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.878 -0.012 19766 2949 1 5 . 1 1 61 61 ASP C C 61 176.598 176.598 176.513 0.085 19766 2950 1 5 . 1 1 61 61 ASP CA C 61 51.112 51.112 52.535 -1.423 19766 2951 1 5 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.198 0.226 19766 2952 1 5 . 1 1 61 61 ASP H H 61 8.017 8.017 7.926 0.091 19766 2953 1 5 . 1 1 62 62 GLN N N 62 126.427 126.427 122.788 3.639 19766 2954 1 5 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.093 0.177 19766 2955 1 5 . 1 1 62 62 GLN C C 62 178.514 178.514 178.025 0.489 19766 2956 1 5 . 1 1 62 62 GLN CA C 62 58.505 58.505 59.095 -0.590 19766 2957 1 5 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.017 -1.044 19766 2958 1 5 . 1 1 62 62 GLN H H 62 9.007 9.007 8.753 0.254 19766 2959 1 5 . 1 1 63 63 ARG N N 63 121.369 121.369 120.324 1.045 19766 2960 1 5 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.006 -0.286 19766 2961 1 5 . 1 1 63 63 ARG C C 63 178.566 178.566 178.757 -0.191 19766 2962 1 5 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.670 -0.588 19766 2963 1 5 . 1 1 63 63 ARG H H 63 9.013 9.013 9.025 -0.012 19766 2964 1 5 . 1 1 64 64 SER N N 64 115.216 115.216 114.513 0.703 19766 2965 1 5 . 1 1 64 64 SER HA H 64 3.746 3.746 4.116 -0.370 19766 2966 1 5 . 1 1 64 64 SER C C 64 175.695 175.695 175.943 -0.248 19766 2967 1 5 . 1 1 64 64 SER CA C 64 63.651 63.651 61.644 2.007 19766 2968 1 5 . 1 1 64 64 SER H H 64 8.207 8.207 7.688 0.519 19766 2969 1 5 . 1 1 65 65 THR N N 65 111.402 111.402 119.848 -8.446 19766 2970 1 5 . 1 1 65 65 THR HA H 65 3.785 3.785 4.213 -0.428 19766 2971 1 5 . 1 1 65 65 THR C C 65 175.556 175.556 176.491 -0.935 19766 2972 1 5 . 1 1 65 65 THR CA C 65 66.178 66.178 66.924 -0.746 19766 2973 1 5 . 1 1 65 65 THR CB C 65 68.414 68.414 68.802 -0.388 19766 2974 1 5 . 1 1 65 65 THR H H 65 7.640 7.640 7.239 0.401 19766 2975 1 5 . 1 1 66 66 ILE N N 66 122.905 122.905 121.694 1.211 19766 2976 1 5 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.985 -0.283 19766 2977 1 5 . 1 1 66 66 ILE C C 66 177.292 177.292 178.153 -0.861 19766 2978 1 5 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.231 -0.977 19766 2979 1 5 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.758 0.641 19766 2980 1 5 . 1 1 66 66 ILE H H 66 6.702 6.702 8.619 -1.917 19766 2981 1 5 . 1 1 67 67 LEU N N 67 114.425 114.425 121.506 -7.081 19766 2982 1 5 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.918 -0.188 19766 2983 1 5 . 1 1 67 67 LEU C C 67 179.641 179.641 177.657 1.984 19766 2984 1 5 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.802 -0.215 19766 2985 1 5 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.413 0.270 19766 2986 1 5 . 1 1 67 67 LEU H H 67 6.975 6.975 8.014 -1.039 19766 2987 1 5 . 1 1 68 68 ALA N N 68 120.639 120.639 121.318 -0.679 19766 2988 1 5 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.483 -0.048 19766 2989 1 5 . 1 1 68 68 ALA C C 68 179.087 179.087 179.581 -0.494 19766 2990 1 5 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.956 0.780 19766 2991 1 5 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.165 0.849 19766 2992 1 5 . 1 1 68 68 ALA H H 68 8.225 8.225 8.102 0.122 19766 2993 1 5 . 1 1 69 69 VAL N N 69 118.866 118.866 117.965 0.901 19766 2994 1 5 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.570 -0.331 19766 2995 1 5 . 1 1 69 69 VAL C C 69 178.798 178.798 178.140 0.658 19766 2996 1 5 . 1 1 69 69 VAL CA C 69 67.025 67.025 67.198 -0.173 19766 2997 1 5 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.587 0.250 19766 2998 1 5 . 1 1 69 69 VAL H H 69 8.162 8.162 7.644 0.518 19766 2999 1 5 . 1 1 70 70 ASP N N 70 117.230 117.230 118.325 -1.095 19766 3000 1 5 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.476 -0.422 19766 3001 1 5 . 1 1 70 70 ASP C C 70 178.297 178.297 178.245 0.052 19766 3002 1 5 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.724 0.545 19766 3003 1 5 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.140 -1.518 19766 3004 1 5 . 1 1 70 70 ASP H H 70 8.262 8.262 7.766 0.496 19766 3005 1 5 . 1 1 71 71 ASN N N 71 111.214 111.214 116.938 -5.724 19766 3006 1 5 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.602 0.261 19766 3007 1 5 . 1 1 71 71 ASN C C 71 176.614 176.614 176.856 -0.242 19766 3008 1 5 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.952 0.649 19766 3009 1 5 . 1 1 71 71 ASN CB C 71 41.600 41.600 38.881 2.719 19766 3010 1 5 . 1 1 71 71 ASN H H 71 7.541 7.541 8.213 -0.672 19766 3011 1 5 . 1 1 72 72 LEU N N 72 116.127 116.127 116.735 -0.608 19766 3012 1 5 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.225 0.424 19766 3013 1 5 . 1 1 72 72 LEU C C 72 177.465 177.465 175.575 1.890 19766 3014 1 5 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.292 0.059 19766 3015 1 5 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.102 0.446 19766 3016 1 5 . 1 1 72 72 LEU H H 72 8.323 8.323 7.658 0.665 19766 3017 1 5 . 1 1 73 73 ASN N N 73 118.792 118.792 117.886 0.906 19766 3018 1 5 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.647 -0.236 19766 3019 1 5 . 1 1 73 73 ASN C C 73 177.085 177.085 176.466 0.619 19766 3020 1 5 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.872 1.682 19766 3021 1 5 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.634 0.824 19766 3022 1 5 . 1 1 73 73 ASN H H 73 6.965 6.965 7.452 -0.487 19766 3023 1 5 . 1 1 74 74 GLY N N 74 115.779 115.779 114.576 1.203 19766 3024 1 5 . 1 1 74 74 GLY C C 74 172.848 172.848 173.991 -1.143 19766 3025 1 5 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.866 0.892 19766 3026 1 5 . 1 1 74 74 GLY H H 74 9.389 9.389 8.185 1.204 19766 3027 1 5 . 1 1 75 75 PHE N N 75 123.194 123.194 123.114 0.080 19766 3028 1 5 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.412 -0.125 19766 3029 1 5 . 1 1 75 75 PHE C C 75 174.778 174.778 174.273 0.505 19766 3030 1 5 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.386 0.487 19766 3031 1 5 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.280 1.322 19766 3032 1 5 . 1 1 75 75 PHE H H 75 8.133 8.133 8.044 0.089 19766 3033 1 5 . 1 1 76 76 LYS N N 76 127.364 127.364 128.336 -0.972 19766 3034 1 5 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.592 0.079 19766 3035 1 5 . 1 1 76 76 LYS C C 76 175.286 175.286 175.530 -0.244 19766 3036 1 5 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.419 0.833 19766 3037 1 5 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.683 0.518 19766 3038 1 5 . 1 1 76 76 LYS H H 76 7.596 7.596 7.892 -0.296 19766 3039 1 5 . 1 1 77 77 ILE N N 77 120.094 120.094 127.655 -7.561 19766 3040 1 5 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.198 0.160 19766 3041 1 5 . 1 1 77 77 ILE C C 77 177.519 177.519 175.760 1.759 19766 3042 1 5 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.969 -0.466 19766 3043 1 5 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.478 1.158 19766 3044 1 5 . 1 1 77 77 ILE H H 77 8.004 8.004 9.020 -1.016 19766 3045 1 5 . 1 1 78 78 GLY N N 78 119.932 119.932 117.058 2.874 19766 3046 1 5 . 1 1 78 78 GLY C C 78 175.944 175.944 175.015 0.929 19766 3047 1 5 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.028 2.191 19766 3048 1 5 . 1 1 78 78 GLY H H 78 10.183 10.183 8.916 1.267 19766 3049 1 5 . 1 1 79 79 GLY N N 79 104.505 104.505 105.148 -0.643 19766 3050 1 5 . 1 1 79 79 GLY C C 79 173.347 173.347 174.110 -0.763 19766 3051 1 5 . 1 1 79 79 GLY CA C 79 45.092 45.092 45.075 0.017 19766 3052 1 5 . 1 1 79 79 GLY H H 79 8.892 8.892 8.452 0.440 19766 3053 1 5 . 1 1 80 80 ARG N N 80 119.144 119.144 121.030 -1.886 19766 3054 1 5 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.555 0.111 19766 3055 1 5 . 1 1 80 80 ARG C C 80 174.693 174.693 174.131 0.562 19766 3056 1 5 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.396 0.282 19766 3057 1 5 . 1 1 80 80 ARG CB C 80 33.407 33.407 33.159 0.248 19766 3058 1 5 . 1 1 80 80 ARG H H 80 7.281 7.281 7.386 -0.105 19766 3059 1 5 . 1 1 81 81 ALA N N 81 126.229 126.229 126.718 -0.489 19766 3060 1 5 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.090 -0.889 19766 3061 1 5 . 1 1 81 81 ALA C C 81 176.967 176.967 177.205 -0.238 19766 3062 1 5 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.916 0.213 19766 3063 1 5 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.057 -0.857 19766 3064 1 5 . 1 1 81 81 ALA H H 81 8.673 8.673 8.439 0.234 19766 3065 1 5 . 1 1 82 82 LEU N N 82 125.471 125.471 120.019 5.452 19766 3066 1 5 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.742 -0.318 19766 3067 1 5 . 1 1 82 82 LEU C C 82 177.436 177.436 176.123 1.313 19766 3068 1 5 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.400 1.750 19766 3069 1 5 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.317 0.956 19766 3070 1 5 . 1 1 82 82 LEU H H 82 8.702 8.702 8.346 0.356 19766 3071 1 5 . 1 1 83 83 LYS N N 83 123.609 123.609 123.440 0.169 19766 3072 1 5 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.191 -0.186 19766 3073 1 5 . 1 1 83 83 LYS C C 83 174.759 174.759 175.290 -0.531 19766 3074 1 5 . 1 1 83 83 LYS CA C 83 54.785 54.785 53.983 0.802 19766 3075 1 5 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.180 0.266 19766 3076 1 5 . 1 1 83 83 LYS H H 83 7.853 7.853 8.685 -0.832 19766 3077 1 5 . 1 1 84 84 ILE N N 84 125.547 125.547 128.163 -2.616 19766 3078 1 5 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.529 0.170 19766 3079 1 5 . 1 1 84 84 ILE C C 84 174.989 174.989 175.765 -0.776 19766 3080 1 5 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.957 -1.538 19766 3081 1 5 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.864 -0.497 19766 3082 1 5 . 1 1 84 84 ILE H H 84 8.719 8.719 8.160 0.559 19766 3083 1 5 . 1 1 85 85 ASP N N 85 124.650 124.650 122.514 2.136 19766 3084 1 5 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.986 0.018 19766 3085 1 5 . 1 1 85 85 ASP C C 85 175.302 175.302 174.272 1.030 19766 3086 1 5 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.879 -0.398 19766 3087 1 5 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.546 0.923 19766 3088 1 5 . 1 1 85 85 ASP H H 85 8.826 8.826 8.828 -0.002 19766 3089 1 5 . 1 1 86 86 HIS N N 86 121.936 121.936 122.247 -0.311 19766 3090 1 5 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.015 -0.312 19766 3091 1 5 . 1 1 86 86 HIS C C 86 175.216 175.216 175.004 0.212 19766 3092 1 5 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.980 0.964 19766 3093 1 5 . 1 1 86 86 HIS CB C 86 31.480 31.480 30.590 0.890 19766 3094 1 5 . 1 1 86 86 HIS H H 86 8.909 8.909 8.958 -0.049 19766 3095 1 5 . 1 1 87 87 THR N N 87 116.612 116.612 117.616 -1.004 19766 3096 1 5 . 1 1 87 87 THR HA H 87 4.688 4.688 4.513 0.175 19766 3097 1 5 . 1 1 87 87 THR CA C 87 61.030 61.030 60.488 0.542 19766 3098 1 5 . 1 1 87 87 THR CB C 87 69.903 69.903 71.174 -1.271 19766 3099 1 5 . 1 1 87 87 THR H H 87 8.521 8.521 8.616 -0.095 19766 3100 1 5 . 1 1 88 88 PHE N N 88 123.233 123.233 125.913 -2.680 19766 3101 1 5 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.899 0.395 19766 3102 1 5 . 1 1 88 88 PHE C C 88 176.452 176.452 173.946 2.506 19766 3103 1 5 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.953 -1.020 19766 3104 1 5 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.312 0.801 19766 3105 1 5 . 1 1 88 88 PHE H H 88 8.145 8.145 8.534 -0.389 19766 3106 1 5 . 1 1 89 89 TYR N N 89 122.872 122.872 124.634 -1.762 19766 3107 1 5 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.602 -0.528 19766 3108 1 5 . 1 1 89 89 TYR C C 89 173.089 173.089 174.132 -1.043 19766 3109 1 5 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.404 2.125 19766 3110 1 5 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.143 0.665 19766 3111 1 5 . 1 1 89 89 TYR H H 89 8.242 8.242 7.650 0.592 19766 3112 1 5 . 1 1 90 90 ARG N N 90 128.867 128.867 122.091 6.776 19766 3113 1 5 . 1 1 90 90 ARG HA H 90 4.429 4.429 3.983 0.446 19766 3114 1 5 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.256 -1.688 19766 3115 1 5 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.624 1.370 19766 3116 1 5 . 1 1 90 90 ARG H H 90 7.018 7.018 8.422 -1.404 19766 3117 1 5 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.901 0.289 19766 3118 1 5 . 1 1 91 91 PRO C C 91 176.284 176.284 176.154 0.130 19766 3119 1 5 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.321 0.168 19766 3120 1 5 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.417 1.630 19766 3121 1 5 . 1 1 92 92 LYS N N 92 119.987 119.987 124.953 -4.966 19766 3122 1 5 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.180 0.502 19766 3123 1 5 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.313 -1.626 19766 3124 1 5 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.322 1.738 19766 3125 1 5 . 1 1 92 92 LYS H H 92 8.672 8.672 8.309 0.363 19766 3126 1 5 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.140 0.034 19766 3127 1 5 . 1 1 93 93 ARG C C 93 178.848 178.848 178.786 0.062 19766 3128 1 5 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.786 0.406 19766 3129 1 5 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.683 0.113 19766 3130 1 5 . 1 1 94 94 SER N N 94 112.252 112.252 114.209 -1.957 19766 3131 1 5 . 1 1 94 94 SER HA H 94 4.266 4.266 4.295 -0.029 19766 3132 1 5 . 1 1 94 94 SER C C 94 175.827 175.827 175.273 0.554 19766 3133 1 5 . 1 1 94 94 SER CA C 94 60.087 60.087 60.751 -0.663 19766 3134 1 5 . 1 1 94 94 SER CB C 94 62.266 62.266 62.794 -0.527 19766 3135 1 5 . 1 1 94 94 SER H H 94 8.353 8.353 8.510 -0.157 19766 3136 1 5 . 1 1 95 95 LEU N N 95 122.261 122.261 119.395 2.866 19766 3137 1 5 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.763 -0.098 19766 3138 1 5 . 1 1 95 95 LEU C C 95 175.444 175.444 177.479 -2.035 19766 3139 1 5 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.821 0.283 19766 3140 1 5 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.457 0.455 19766 3141 1 5 . 1 1 95 95 LEU H H 95 7.229 7.229 7.439 -0.210 19766 3142 1 5 . 1 1 96 96 GLN N N 96 118.873 118.873 120.570 -1.697 19766 3143 1 5 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.158 -0.065 19766 3144 1 5 . 1 1 96 96 GLN C C 96 177.668 177.668 177.492 0.176 19766 3145 1 5 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.062 1.648 19766 3146 1 5 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.403 0.578 19766 3147 1 5 . 1 1 96 96 GLN H H 96 7.390 7.390 7.638 -0.248 19766 3148 1 5 . 1 1 97 97 LYS N N 97 116.416 116.416 119.573 -3.157 19766 3149 1 5 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.101 0.016 19766 3150 1 5 . 1 1 97 97 LYS C C 97 179.237 179.237 179.129 0.108 19766 3151 1 5 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.355 1.038 19766 3152 1 5 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.573 -0.057 19766 3153 1 5 . 1 1 97 97 LYS H H 97 8.595 8.595 8.201 0.394 19766 3154 1 5 . 1 1 98 98 TYR N N 98 123.922 123.922 121.944 1.978 19766 3155 1 5 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.109 0.028 19766 3156 1 5 . 1 1 98 98 TYR C C 98 177.309 177.309 177.598 -0.289 19766 3157 1 5 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.844 0.385 19766 3158 1 5 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.147 -0.857 19766 3159 1 5 . 1 1 98 98 TYR H H 98 7.558 7.558 8.145 -0.587 19766 3160 1 5 . 1 1 99 99 TYR N N 99 118.047 118.047 117.717 0.330 19766 3161 1 5 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.859 1.249 19766 3162 1 5 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.929 -4.031 19766 3163 1 5 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.164 -0.942 19766 3164 1 5 . 1 1 99 99 TYR H H 99 8.624 8.624 7.705 0.919 19766 3165 1 5 . 1 1 100 100 GLU N N 100 118.804 118.804 118.790 0.014 19766 3166 1 5 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.952 0.114 19766 3167 1 5 . 1 1 100 100 GLU C C 100 178.595 178.595 178.660 -0.065 19766 3168 1 5 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.172 0.313 19766 3169 1 5 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.089 0.706 19766 3170 1 5 . 1 1 100 100 GLU H H 100 8.348 8.348 8.656 -0.308 19766 3171 1 5 . 1 1 101 101 ALA N N 101 123.315 123.315 121.934 1.381 19766 3172 1 5 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.093 0.202 19766 3173 1 5 . 1 1 101 101 ALA C C 101 181.438 181.438 179.771 1.667 19766 3174 1 5 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.811 0.047 19766 3175 1 5 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.372 0.305 19766 3176 1 5 . 1 1 101 101 ALA H H 101 7.963 7.963 8.007 -0.044 19766 3177 1 5 . 1 1 102 102 VAL N N 102 120.092 120.092 118.574 1.518 19766 3178 1 5 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.514 0.263 19766 3179 1 5 . 1 1 102 102 VAL C C 102 176.958 176.958 177.645 -0.687 19766 3180 1 5 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.578 0.827 19766 3181 1 5 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.396 0.440 19766 3182 1 5 . 1 1 102 102 VAL H H 102 8.321 8.321 7.488 0.833 19766 3183 1 5 . 1 1 103 103 LYS N N 103 120.226 120.226 119.133 1.093 19766 3184 1 5 . 1 1 103 103 LYS HA H 103 3.926 3.926 3.925 0.001 19766 3185 1 5 . 1 1 103 103 LYS C C 103 178.354 178.354 178.536 -0.182 19766 3186 1 5 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.455 0.229 19766 3187 1 5 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.702 0.474 19766 3188 1 5 . 1 1 103 103 LYS H H 103 8.266 8.266 7.832 0.434 19766 3189 1 5 . 1 1 104 104 GLU N N 104 116.521 116.521 119.507 -2.986 19766 3190 1 5 . 1 1 104 104 GLU HA H 104 3.961 3.961 3.951 0.010 19766 3191 1 5 . 1 1 104 104 GLU C C 104 178.628 178.628 178.879 -0.251 19766 3192 1 5 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.685 -0.575 19766 3193 1 5 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.940 0.785 19766 3194 1 5 . 1 1 104 104 GLU H H 104 8.027 8.027 8.122 -0.095 19766 3195 1 5 . 1 1 105 105 GLU N N 105 118.569 118.569 118.630 -0.061 19766 3196 1 5 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.055 -0.155 19766 3197 1 5 . 1 1 105 105 GLU C C 105 178.399 178.399 179.282 -0.883 19766 3198 1 5 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.890 -0.625 19766 3199 1 5 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.221 0.552 19766 3200 1 5 . 1 1 105 105 GLU H H 105 7.225 7.225 7.792 -0.567 19766 3201 1 5 . 1 1 106 106 LEU N N 106 116.938 116.938 118.608 -1.670 19766 3202 1 5 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.045 -0.012 19766 3203 1 5 . 1 1 106 106 LEU C C 106 179.770 179.770 178.969 0.801 19766 3204 1 5 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.216 -0.291 19766 3205 1 5 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.853 -1.568 19766 3206 1 5 . 1 1 106 106 LEU H H 106 8.273 8.273 7.237 1.036 19766 3207 1 5 . 1 1 107 107 ASP N N 107 119.855 119.855 119.763 0.092 19766 3208 1 5 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.297 0.251 19766 3209 1 5 . 1 1 107 107 ASP C C 107 177.891 177.891 178.454 -0.563 19766 3210 1 5 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.545 -1.612 19766 3211 1 5 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.889 -0.175 19766 3212 1 5 . 1 1 107 107 ASP H H 107 8.286 8.286 8.803 -0.517 19766 3213 1 5 . 1 1 108 108 ARG N N 108 118.853 118.853 116.626 2.227 19766 3214 1 5 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.161 -0.080 19766 3215 1 5 . 1 1 108 108 ARG C C 108 177.325 177.325 177.594 -0.269 19766 3216 1 5 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.336 0.673 19766 3217 1 5 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.466 0.938 19766 3218 1 5 . 1 1 108 108 ARG H H 108 7.406 7.406 7.919 -0.513 19766 3219 1 5 . 1 1 109 109 ASP N N 109 119.636 119.636 118.314 1.322 19766 3220 1 5 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.615 -0.080 19766 3221 1 5 . 1 1 109 109 ASP C C 109 176.758 176.758 177.362 -0.604 19766 3222 1 5 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.381 -0.143 19766 3223 1 5 . 1 1 109 109 ASP CB C 109 40.745 40.745 42.495 -1.750 19766 3224 1 5 . 1 1 109 109 ASP H H 109 7.853 7.853 7.686 0.167 19766 3225 1 5 . 1 1 110 110 ILE N N 110 119.905 119.905 119.868 0.037 19766 3226 1 5 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.908 0.196 19766 3227 1 5 . 1 1 110 110 ILE C C 110 176.642 176.642 177.041 -0.399 19766 3228 1 5 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.953 -2.177 19766 3229 1 5 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.762 -0.308 19766 3230 1 5 . 1 1 110 110 ILE H H 110 7.623 7.623 7.526 0.097 19766 3231 1 5 . 1 1 111 111 VAL N N 111 122.938 122.938 119.982 2.956 19766 3232 1 5 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.979 0.099 19766 3233 1 5 . 1 1 111 111 VAL C C 111 176.668 176.668 175.291 1.377 19766 3234 1 5 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.563 0.474 19766 3235 1 5 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.244 -0.762 19766 3236 1 5 . 1 1 111 111 VAL H H 111 8.043 8.043 8.072 -0.029 19766 3237 1 5 . 1 1 112 112 SER N N 112 118.345 118.345 120.573 -2.228 19766 3238 1 5 . 1 1 112 112 SER HA H 112 4.417 4.417 4.453 -0.036 19766 3239 1 5 . 1 1 112 112 SER C C 112 174.925 174.925 174.193 0.732 19766 3240 1 5 . 1 1 112 112 SER CA C 112 58.848 58.848 59.717 -0.869 19766 3241 1 5 . 1 1 112 112 SER CB C 112 63.551 63.551 63.567 -0.016 19766 3242 1 5 . 1 1 112 112 SER H H 112 8.210 8.210 8.405 -0.195 19766 3243 1 5 . 1 1 113 113 LYS N N 113 122.729 122.729 119.646 3.083 19766 3244 1 5 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.635 -0.317 19766 3245 1 5 . 1 1 113 113 LYS CA C 113 56.596 56.596 54.758 1.838 19766 3246 1 5 . 1 1 113 113 LYS CB C 113 32.846 32.846 34.395 -1.549 19766 3247 1 5 . 1 1 113 113 LYS H H 113 8.295 8.295 7.664 0.631 19766 3248 1 5 . 1 1 114 114 ASN N N 114 119.243 119.243 121.076 -1.833 19766 3249 1 5 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.679 -0.001 19766 3250 1 5 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.339 0.144 19766 3251 1 5 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.247 -0.389 19766 3252 1 5 . 1 1 114 114 ASN H H 114 8.372 8.372 8.332 0.040 19766 3253 1 5 . 1 1 115 115 ASN N N 115 119.155 119.155 118.040 1.115 19766 3254 1 5 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.613 0.069 19766 3255 1 5 . 1 1 115 115 ASN C C 115 174.877 174.877 173.927 0.950 19766 3256 1 5 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.813 -0.330 19766 3257 1 5 . 1 1 115 115 ASN CB C 115 38.858 38.858 38.944 -0.086 19766 3258 1 5 . 1 1 115 115 ASN H H 115 8.372 8.372 8.701 -0.329 19766 3259 1 5 . 1 1 116 116 ALA N N 116 123.743 123.743 123.897 -0.154 19766 3260 1 5 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.386 -0.057 19766 3261 1 5 . 1 1 116 116 ALA C C 116 177.574 177.574 178.139 -0.565 19766 3262 1 5 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.631 0.062 19766 3263 1 5 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.228 1.119 19766 3264 1 5 . 1 1 116 116 ALA H H 116 8.116 8.116 8.198 -0.082 19766 3265 1 5 . 1 1 117 117 GLU N N 117 120.161 120.161 122.262 -2.101 19766 3266 1 5 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.303 -0.030 19766 3267 1 5 . 1 1 117 117 GLU C C 117 175.557 175.557 176.758 -1.201 19766 3268 1 5 . 1 1 117 117 GLU CA C 117 56.659 56.659 57.465 -0.806 19766 3269 1 5 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.131 0.023 19766 3270 1 5 . 1 1 117 117 GLU H H 117 8.220 8.220 8.755 -0.535 19766 3271 1 6 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.728 -0.388 19766 3272 1 6 . 1 1 2 2 ALA C C 2 177.830 177.830 176.594 1.236 19766 3273 1 6 . 1 1 2 2 ALA CA C 2 52.693 52.693 50.945 1.748 19766 3274 1 6 . 1 1 2 2 ALA CB C 2 19.359 19.359 20.724 -1.365 19766 3275 1 6 . 1 1 3 3 MET N N 3 119.580 119.580 118.654 0.926 19766 3276 1 6 . 1 1 3 3 MET HA H 3 4.482 4.482 5.198 -0.716 19766 3277 1 6 . 1 1 3 3 MET C C 3 176.714 176.714 176.075 0.639 19766 3278 1 6 . 1 1 3 3 MET CA C 3 55.590 55.590 54.580 1.010 19766 3279 1 6 . 1 1 3 3 MET CB C 3 32.922 32.922 35.809 -2.887 19766 3280 1 6 . 1 1 3 3 MET H H 3 8.451 8.451 8.443 0.008 19766 3281 1 6 . 1 1 4 4 GLY N N 4 109.951 109.951 106.579 3.372 19766 3282 1 6 . 1 1 4 4 GLY C C 4 174.082 174.082 172.888 1.194 19766 3283 1 6 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.494 -0.028 19766 3284 1 6 . 1 1 4 4 GLY H H 4 8.400 8.400 8.727 -0.327 19766 3285 1 6 . 1 1 5 5 ASN N N 5 118.667 118.667 120.010 -1.343 19766 3286 1 6 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.989 -0.305 19766 3287 1 6 . 1 1 5 5 ASN C C 5 175.489 175.489 175.964 -0.475 19766 3288 1 6 . 1 1 5 5 ASN CA C 5 53.501 53.501 52.951 0.550 19766 3289 1 6 . 1 1 5 5 ASN CB C 5 38.966 38.966 39.620 -0.654 19766 3290 1 6 . 1 1 5 5 ASN H H 5 8.378 8.378 8.405 -0.027 19766 3291 1 6 . 1 1 6 6 GLU N N 6 120.908 120.908 119.129 1.779 19766 3292 1 6 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.177 -0.011 19766 3293 1 6 . 1 1 6 6 GLU C C 6 176.336 176.336 175.823 0.513 19766 3294 1 6 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.953 0.316 19766 3295 1 6 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.533 0.203 19766 3296 1 6 . 1 1 6 6 GLU H H 6 8.620 8.620 8.411 0.209 19766 3297 1 6 . 1 1 7 7 TYR N N 7 120.339 120.339 119.491 0.848 19766 3298 1 6 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.717 -0.217 19766 3299 1 6 . 1 1 7 7 TYR C C 7 175.808 175.808 175.003 0.805 19766 3300 1 6 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.244 1.907 19766 3301 1 6 . 1 1 7 7 TYR CB C 7 38.194 38.194 40.407 -2.213 19766 3302 1 6 . 1 1 7 7 TYR H H 7 8.045 8.045 7.502 0.543 19766 3303 1 6 . 1 1 8 8 LYS N N 8 121.700 121.700 118.565 3.135 19766 3304 1 6 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.331 -0.181 19766 3305 1 6 . 1 1 8 8 LYS C C 8 175.868 175.868 175.640 0.228 19766 3306 1 6 . 1 1 8 8 LYS CA C 8 56.562 56.562 55.026 1.536 19766 3307 1 6 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.801 0.357 19766 3308 1 6 . 1 1 8 8 LYS H H 8 7.829 7.829 8.601 -0.772 19766 3309 1 6 . 1 1 9 9 ASP N N 9 119.811 119.811 118.468 1.343 19766 3310 1 6 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.558 0.080 19766 3311 1 6 . 1 1 9 9 ASP C C 9 175.972 175.972 175.332 0.640 19766 3312 1 6 . 1 1 9 9 ASP CA C 9 54.624 54.624 53.885 0.740 19766 3313 1 6 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.763 0.776 19766 3314 1 6 . 1 1 9 9 ASP H H 9 8.137 8.137 8.181 -0.044 19766 3315 1 6 . 1 1 10 10 ASN N N 10 119.794 119.794 119.269 0.525 19766 3316 1 6 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.866 0.106 19766 3317 1 6 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.789 0.056 19766 3318 1 6 . 1 1 10 10 ASN CB C 10 38.759 38.759 37.542 1.217 19766 3319 1 6 . 1 1 10 10 ASN H H 10 8.292 8.292 8.124 0.168 19766 3320 1 6 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.451 0.152 19766 3321 1 6 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.148 0.101 19766 3322 1 6 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.474 -0.286 19766 3323 1 6 . 1 1 12 12 TYR N N 12 118.889 118.889 118.444 0.445 19766 3324 1 6 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.348 -0.204 19766 3325 1 6 . 1 1 12 12 TYR C C 12 177.773 177.773 175.954 1.819 19766 3326 1 6 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.311 -1.128 19766 3327 1 6 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.051 2.531 19766 3328 1 6 . 1 1 12 12 TYR H H 12 8.057 8.057 7.898 0.159 19766 3329 1 6 . 1 1 13 13 ILE N N 13 112.765 112.765 117.354 -4.589 19766 3330 1 6 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.129 0.025 19766 3331 1 6 . 1 1 13 13 ILE C C 13 174.312 174.312 174.644 -0.332 19766 3332 1 6 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.072 0.964 19766 3333 1 6 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.112 -1.216 19766 3334 1 6 . 1 1 13 13 ILE H H 13 9.310 9.310 9.417 -0.107 19766 3335 1 6 . 1 1 14 14 TYR N N 14 124.417 124.417 127.761 -3.344 19766 3336 1 6 . 1 1 14 14 TYR HA H 14 4.707 4.707 5.025 -0.318 19766 3337 1 6 . 1 1 14 14 TYR C C 14 173.058 173.058 174.081 -1.023 19766 3338 1 6 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.415 -1.203 19766 3339 1 6 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.699 0.520 19766 3340 1 6 . 1 1 14 14 TYR H H 14 9.252 9.252 9.016 0.236 19766 3341 1 6 . 1 1 15 15 ILE N N 15 127.660 127.660 128.727 -1.067 19766 3342 1 6 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.068 -0.803 19766 3343 1 6 . 1 1 15 15 ILE C C 15 173.705 173.705 174.648 -0.943 19766 3344 1 6 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.650 -0.164 19766 3345 1 6 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.920 1.082 19766 3346 1 6 . 1 1 15 15 ILE H H 15 8.558 8.558 8.862 -0.304 19766 3347 1 6 . 1 1 16 16 GLY N N 16 112.792 112.792 112.427 0.365 19766 3348 1 6 . 1 1 16 16 GLY C C 16 173.110 173.110 172.992 0.118 19766 3349 1 6 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.760 0.489 19766 3350 1 6 . 1 1 16 16 GLY H H 16 9.516 9.516 8.906 0.610 19766 3351 1 6 . 1 1 17 17 ASN N N 17 115.139 115.139 115.482 -0.343 19766 3352 1 6 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.132 0.264 19766 3353 1 6 . 1 1 17 17 ASN C C 17 174.854 174.854 173.965 0.889 19766 3354 1 6 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.548 -0.312 19766 3355 1 6 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.870 0.063 19766 3356 1 6 . 1 1 17 17 ASN H H 17 8.511 8.511 8.154 0.357 19766 3357 1 6 . 1 1 18 18 LEU N N 18 114.660 114.660 118.757 -4.097 19766 3358 1 6 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.329 -0.293 19766 3359 1 6 . 1 1 18 18 LEU C C 18 178.161 178.161 176.101 2.060 19766 3360 1 6 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.464 -0.580 19766 3361 1 6 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.250 -0.688 19766 3362 1 6 . 1 1 18 18 LEU H H 18 7.839 7.839 7.484 0.355 19766 3363 1 6 . 1 1 19 19 ASN N N 19 122.707 122.707 118.314 4.393 19766 3364 1 6 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.611 -0.248 19766 3365 1 6 . 1 1 19 19 ASN C C 19 178.037 178.037 176.724 1.313 19766 3366 1 6 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.698 1.906 19766 3367 1 6 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.493 -1.681 19766 3368 1 6 . 1 1 19 19 ASN H H 19 8.779 8.779 8.482 0.298 19766 3369 1 6 . 1 1 20 20 ARG N N 20 128.724 128.724 123.713 5.011 19766 3370 1 6 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.917 -0.064 19766 3371 1 6 . 1 1 20 20 ARG C C 20 175.612 175.612 176.801 -1.189 19766 3372 1 6 . 1 1 20 20 ARG CA C 20 58.774 58.774 59.171 -0.397 19766 3373 1 6 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.206 -0.522 19766 3374 1 6 . 1 1 20 20 ARG H H 20 8.954 8.954 8.748 0.206 19766 3375 1 6 . 1 1 21 21 GLU N N 21 117.609 117.609 113.822 3.787 19766 3376 1 6 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.222 0.051 19766 3377 1 6 . 1 1 21 21 GLU C C 21 177.285 177.285 176.423 0.862 19766 3378 1 6 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.027 0.755 19766 3379 1 6 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.963 1.535 19766 3380 1 6 . 1 1 21 21 GLU H H 21 9.092 9.092 8.191 0.901 19766 3381 1 6 . 1 1 22 22 LEU N N 22 116.169 116.169 123.819 -7.650 19766 3382 1 6 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.361 0.195 19766 3383 1 6 . 1 1 22 22 LEU C C 22 178.328 178.328 176.319 2.009 19766 3384 1 6 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.968 0.688 19766 3385 1 6 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.638 0.589 19766 3386 1 6 . 1 1 22 22 LEU H H 22 7.208 7.208 7.690 -0.482 19766 3387 1 6 . 1 1 23 23 THR N N 23 113.733 113.733 116.158 -2.425 19766 3388 1 6 . 1 1 23 23 THR HA H 23 4.349 4.349 4.648 -0.299 19766 3389 1 6 . 1 1 23 23 THR C C 23 175.225 175.225 175.144 0.081 19766 3390 1 6 . 1 1 23 23 THR CA C 23 59.960 59.960 59.639 0.321 19766 3391 1 6 . 1 1 23 23 THR CB C 23 72.172 72.172 71.672 0.500 19766 3392 1 6 . 1 1 23 23 THR H H 23 8.732 8.732 8.053 0.679 19766 3393 1 6 . 1 1 24 24 GLU N N 24 119.838 119.838 123.082 -3.244 19766 3394 1 6 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.017 -0.360 19766 3395 1 6 . 1 1 24 24 GLU C C 24 178.983 178.983 178.673 0.310 19766 3396 1 6 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.047 3.524 19766 3397 1 6 . 1 1 24 24 GLU CB C 24 27.346 27.346 28.817 -1.471 19766 3398 1 6 . 1 1 24 24 GLU H H 24 9.761 9.761 9.040 0.721 19766 3399 1 6 . 1 1 25 25 GLY N N 25 104.462 104.462 106.936 -2.474 19766 3400 1 6 . 1 1 25 25 GLY C C 25 175.139 175.139 175.659 -0.520 19766 3401 1 6 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.936 0.669 19766 3402 1 6 . 1 1 25 25 GLY H H 25 8.486 8.486 8.373 0.113 19766 3403 1 6 . 1 1 26 26 ASP N N 26 123.296 123.296 123.116 0.180 19766 3404 1 6 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.521 0.049 19766 3405 1 6 . 1 1 26 26 ASP C C 26 178.135 178.135 178.271 -0.136 19766 3406 1 6 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.830 0.982 19766 3407 1 6 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.087 0.798 19766 3408 1 6 . 1 1 26 26 ASP H H 26 7.960 7.960 7.672 0.288 19766 3409 1 6 . 1 1 27 27 ILE N N 27 118.853 118.853 121.102 -2.249 19766 3410 1 6 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.756 -0.149 19766 3411 1 6 . 1 1 27 27 ILE C C 27 178.424 178.424 178.247 0.177 19766 3412 1 6 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.143 0.598 19766 3413 1 6 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.877 -0.165 19766 3414 1 6 . 1 1 27 27 ILE H H 27 8.159 8.159 8.032 0.127 19766 3415 1 6 . 1 1 28 28 LEU N N 28 118.549 118.549 119.661 -1.112 19766 3416 1 6 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.913 -0.009 19766 3417 1 6 . 1 1 28 28 LEU C C 28 180.057 180.057 179.575 0.482 19766 3418 1 6 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.524 0.007 19766 3419 1 6 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.040 0.905 19766 3420 1 6 . 1 1 28 28 LEU H H 28 8.414 8.414 8.804 -0.390 19766 3421 1 6 . 1 1 29 29 THR N N 29 122.156 122.156 115.380 6.776 19766 3422 1 6 . 1 1 29 29 THR HA H 29 4.032 4.032 3.981 0.051 19766 3423 1 6 . 1 1 29 29 THR C C 29 175.113 175.113 176.317 -1.204 19766 3424 1 6 . 1 1 29 29 THR CA C 29 66.754 66.754 66.550 0.204 19766 3425 1 6 . 1 1 29 29 THR CB C 29 68.490 68.490 68.746 -0.256 19766 3426 1 6 . 1 1 29 29 THR H H 29 8.715 8.715 7.831 0.884 19766 3427 1 6 . 1 1 30 30 VAL N N 30 116.487 116.487 114.822 1.665 19766 3428 1 6 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.992 -0.161 19766 3429 1 6 . 1 1 30 30 VAL C C 30 179.968 179.968 178.146 1.822 19766 3430 1 6 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.005 0.510 19766 3431 1 6 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.830 1.214 19766 3432 1 6 . 1 1 30 30 VAL H H 30 7.713 7.713 7.751 -0.038 19766 3433 1 6 . 1 1 31 31 PHE N N 31 113.658 113.658 119.900 -6.242 19766 3434 1 6 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.517 -0.650 19766 3435 1 6 . 1 1 31 31 PHE C C 31 179.577 179.577 176.750 2.827 19766 3436 1 6 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.269 2.134 19766 3437 1 6 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.459 -1.147 19766 3438 1 6 . 1 1 31 31 PHE H H 31 8.876 8.876 8.906 -0.030 19766 3439 1 6 . 1 1 32 32 SER N N 32 118.635 118.635 113.826 4.809 19766 3440 1 6 . 1 1 32 32 SER HA H 32 5.381 5.381 4.660 0.721 19766 3441 1 6 . 1 1 32 32 SER C C 32 172.662 172.662 174.848 -2.186 19766 3442 1 6 . 1 1 32 32 SER CA C 32 61.338 61.338 59.819 1.519 19766 3443 1 6 . 1 1 32 32 SER CB C 32 63.875 63.875 63.012 0.863 19766 3444 1 6 . 1 1 32 32 SER H H 32 8.106 8.106 7.918 0.188 19766 3445 1 6 . 1 1 33 33 GLU N N 33 121.234 121.234 121.321 -0.087 19766 3446 1 6 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.030 -1.873 19766 3447 1 6 . 1 1 33 33 GLU C C 33 174.223 174.223 178.007 -3.784 19766 3448 1 6 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.799 0.841 19766 3449 1 6 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.593 -1.762 19766 3450 1 6 . 1 1 33 33 GLU H H 33 6.964 6.964 7.387 -0.423 19766 3451 1 6 . 1 1 34 34 TYR N N 34 107.930 107.930 115.007 -7.077 19766 3452 1 6 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.786 -0.633 19766 3453 1 6 . 1 1 34 34 TYR C C 34 173.208 173.208 175.974 -2.766 19766 3454 1 6 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.211 0.118 19766 3455 1 6 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.839 -0.961 19766 3456 1 6 . 1 1 34 34 TYR H H 34 6.229 6.229 7.289 -1.060 19766 3457 1 6 . 1 1 35 35 GLY N N 35 103.542 103.542 105.382 -1.840 19766 3458 1 6 . 1 1 35 35 GLY C C 35 170.379 170.379 171.737 -1.358 19766 3459 1 6 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.487 0.192 19766 3460 1 6 . 1 1 35 35 GLY H H 35 7.257 7.257 6.851 0.406 19766 3461 1 6 . 1 1 36 36 VAL N N 36 120.446 120.446 120.898 -0.452 19766 3462 1 6 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.285 0.219 19766 3463 1 6 . 1 1 36 36 VAL CA C 36 59.715 59.715 58.789 0.926 19766 3464 1 6 . 1 1 36 36 VAL CB C 36 34.031 34.031 32.821 1.210 19766 3465 1 6 . 1 1 36 36 VAL H H 36 8.438 8.438 8.380 0.058 19766 3466 1 6 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.505 0.198 19766 3467 1 6 . 1 1 37 37 PRO CA C 37 62.374 62.374 63.070 -0.696 19766 3468 1 6 . 1 1 37 37 PRO CB C 37 32.071 32.071 32.039 0.032 19766 3469 1 6 . 1 1 38 38 VAL N N 38 113.929 113.929 120.963 -7.034 19766 3470 1 6 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.006 0.476 19766 3471 1 6 . 1 1 38 38 VAL CA C 38 60.454 60.454 63.828 -3.374 19766 3472 1 6 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.732 -0.228 19766 3473 1 6 . 1 1 38 38 VAL H H 38 8.966 8.966 8.315 0.651 19766 3474 1 6 . 1 1 39 39 ASP N N 39 118.213 118.213 118.224 -0.011 19766 3475 1 6 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.952 -0.277 19766 3476 1 6 . 1 1 39 39 ASP C C 39 174.637 174.637 174.108 0.529 19766 3477 1 6 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.549 1.139 19766 3478 1 6 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.527 -0.720 19766 3479 1 6 . 1 1 39 39 ASP H H 39 7.500 7.500 7.969 -0.469 19766 3480 1 6 . 1 1 40 40 VAL N N 40 121.576 121.576 123.616 -2.040 19766 3481 1 6 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.067 -0.076 19766 3482 1 6 . 1 1 40 40 VAL C C 40 170.562 170.562 173.993 -3.431 19766 3483 1 6 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.002 0.356 19766 3484 1 6 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.668 -0.449 19766 3485 1 6 . 1 1 40 40 VAL H H 40 7.657 7.657 8.573 -0.916 19766 3486 1 6 . 1 1 41 41 ILE N N 41 125.384 125.384 125.868 -0.484 19766 3487 1 6 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.633 0.185 19766 3488 1 6 . 1 1 41 41 ILE C C 41 175.425 175.425 173.616 1.809 19766 3489 1 6 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.421 2.069 19766 3490 1 6 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.352 2.204 19766 3491 1 6 . 1 1 41 41 ILE H H 41 8.901 8.901 9.198 -0.297 19766 3492 1 6 . 1 1 42 42 LEU N N 42 128.888 128.888 127.926 0.962 19766 3493 1 6 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.640 -0.179 19766 3494 1 6 . 1 1 42 42 LEU C C 42 174.934 174.934 176.209 -1.275 19766 3495 1 6 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.337 0.040 19766 3496 1 6 . 1 1 42 42 LEU CB C 42 43.539 43.539 44.063 -0.524 19766 3497 1 6 . 1 1 42 42 LEU H H 42 8.344 8.344 8.493 -0.149 19766 3498 1 6 . 1 1 43 43 SER N N 43 122.818 122.818 122.018 0.800 19766 3499 1 6 . 1 1 43 43 SER HA H 43 3.876 3.876 4.444 -0.568 19766 3500 1 6 . 1 1 43 43 SER C C 43 173.869 173.869 172.944 0.925 19766 3501 1 6 . 1 1 43 43 SER CA C 43 59.688 59.688 57.948 1.740 19766 3502 1 6 . 1 1 43 43 SER CB C 43 62.673 62.673 62.740 -0.067 19766 3503 1 6 . 1 1 43 43 SER H H 43 8.362 8.362 8.894 -0.532 19766 3504 1 6 . 1 1 44 44 ARG N N 44 128.045 128.045 125.142 2.903 19766 3505 1 6 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.230 -0.401 19766 3506 1 6 . 1 1 44 44 ARG C C 44 175.031 175.031 175.091 -0.060 19766 3507 1 6 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.438 0.624 19766 3508 1 6 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.733 0.564 19766 3509 1 6 . 1 1 44 44 ARG H H 44 8.079 8.079 7.548 0.531 19766 3510 1 6 . 1 1 45 45 ASP N N 45 123.491 123.491 121.877 1.614 19766 3511 1 6 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.443 -0.206 19766 3512 1 6 . 1 1 45 45 ASP C C 45 177.487 177.487 176.979 0.508 19766 3513 1 6 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.606 0.311 19766 3514 1 6 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.826 0.785 19766 3515 1 6 . 1 1 45 45 ASP H H 45 8.663 8.663 8.274 0.389 19766 3516 1 6 . 1 1 46 46 GLU N N 46 125.446 125.446 124.632 0.814 19766 3517 1 6 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.127 -0.220 19766 3518 1 6 . 1 1 46 46 GLU C C 46 175.655 175.655 176.615 -0.960 19766 3519 1 6 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.295 0.578 19766 3520 1 6 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.799 -0.145 19766 3521 1 6 . 1 1 46 46 GLU H H 46 9.007 9.007 8.813 0.194 19766 3522 1 6 . 1 1 47 47 ASN N N 47 115.343 115.343 116.692 -1.349 19766 3523 1 6 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.751 0.133 19766 3524 1 6 . 1 1 47 47 ASN C C 47 176.665 176.665 176.910 -0.245 19766 3525 1 6 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.671 0.268 19766 3526 1 6 . 1 1 47 47 ASN CB C 47 40.230 40.230 40.030 0.200 19766 3527 1 6 . 1 1 47 47 ASN H H 47 8.947 8.947 8.690 0.257 19766 3528 1 6 . 1 1 48 48 THR N N 48 107.604 107.604 111.884 -4.280 19766 3529 1 6 . 1 1 48 48 THR HA H 48 4.468 4.468 4.516 -0.049 19766 3530 1 6 . 1 1 48 48 THR C C 48 176.465 176.465 175.427 1.038 19766 3531 1 6 . 1 1 48 48 THR CA C 48 61.555 61.555 62.219 -0.664 19766 3532 1 6 . 1 1 48 48 THR CB C 48 71.342 71.342 70.140 1.202 19766 3533 1 6 . 1 1 48 48 THR H H 48 8.450 8.450 8.713 -0.263 19766 3534 1 6 . 1 1 49 49 GLY N N 49 111.809 111.809 110.215 1.594 19766 3535 1 6 . 1 1 49 49 GLY C C 49 173.193 173.193 173.474 -0.281 19766 3536 1 6 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.465 0.258 19766 3537 1 6 . 1 1 49 49 GLY H H 49 8.632 8.632 7.616 1.016 19766 3538 1 6 . 1 1 50 50 GLU N N 50 120.089 120.089 119.086 1.003 19766 3539 1 6 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.094 0.039 19766 3540 1 6 . 1 1 50 50 GLU C C 50 176.586 176.586 176.381 0.205 19766 3541 1 6 . 1 1 50 50 GLU CA C 50 56.532 56.532 56.536 -0.004 19766 3542 1 6 . 1 1 50 50 GLU CB C 50 31.084 31.084 28.820 2.264 19766 3543 1 6 . 1 1 50 50 GLU H H 50 7.825 7.825 8.181 -0.356 19766 3544 1 6 . 1 1 51 51 SER N N 51 115.686 115.686 123.256 -7.570 19766 3545 1 6 . 1 1 51 51 SER HA H 51 4.273 4.273 4.439 -0.166 19766 3546 1 6 . 1 1 51 51 SER C C 51 176.516 176.516 175.538 0.978 19766 3547 1 6 . 1 1 51 51 SER CA C 51 58.415 58.415 59.296 -0.881 19766 3548 1 6 . 1 1 51 51 SER CB C 51 64.668 64.668 63.110 1.558 19766 3549 1 6 . 1 1 51 51 SER H H 51 8.871 8.871 8.749 0.122 19766 3550 1 6 . 1 1 52 52 GLN N N 52 123.284 123.284 127.427 -4.143 19766 3551 1 6 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.289 0.202 19766 3552 1 6 . 1 1 52 52 GLN C C 52 177.471 177.471 176.960 0.511 19766 3553 1 6 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.607 -0.460 19766 3554 1 6 . 1 1 52 52 GLN CB C 52 29.880 29.880 28.890 0.990 19766 3555 1 6 . 1 1 52 52 GLN H H 52 9.103 9.103 9.017 0.086 19766 3556 1 6 . 1 1 53 53 GLY N N 53 105.865 105.865 106.149 -0.284 19766 3557 1 6 . 1 1 53 53 GLY C C 53 172.010 172.010 172.829 -0.819 19766 3558 1 6 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.928 1.717 19766 3559 1 6 . 1 1 53 53 GLY H H 53 8.888 8.888 8.211 0.677 19766 3560 1 6 . 1 1 54 54 PHE N N 54 112.097 112.097 118.507 -6.410 19766 3561 1 6 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.276 0.070 19766 3562 1 6 . 1 1 54 54 PHE C C 54 171.548 171.548 173.149 -1.601 19766 3563 1 6 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.102 -0.431 19766 3564 1 6 . 1 1 54 54 PHE CB C 54 40.680 40.680 43.045 -2.365 19766 3565 1 6 . 1 1 54 54 PHE H H 54 6.879 6.879 7.323 -0.444 19766 3566 1 6 . 1 1 55 55 ALA N N 55 122.332 122.332 121.481 0.851 19766 3567 1 6 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.953 0.170 19766 3568 1 6 . 1 1 55 55 ALA C C 55 173.074 173.074 174.558 -1.484 19766 3569 1 6 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.652 -1.123 19766 3570 1 6 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.793 2.946 19766 3571 1 6 . 1 1 55 55 ALA H H 55 9.051 9.051 8.886 0.165 19766 3572 1 6 . 1 1 56 56 TYR N N 56 115.022 115.022 117.188 -2.166 19766 3573 1 6 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.931 -0.257 19766 3574 1 6 . 1 1 56 56 TYR C C 56 175.292 175.292 174.517 0.775 19766 3575 1 6 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.344 -0.763 19766 3576 1 6 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.466 -0.119 19766 3577 1 6 . 1 1 56 56 TYR H H 56 9.007 9.007 9.040 -0.033 19766 3578 1 6 . 1 1 57 57 LEU N N 57 122.695 122.695 122.299 0.396 19766 3579 1 6 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.695 -0.936 19766 3580 1 6 . 1 1 57 57 LEU C C 57 172.173 172.173 174.293 -2.120 19766 3581 1 6 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.553 1.263 19766 3582 1 6 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.716 0.190 19766 3583 1 6 . 1 1 57 57 LEU H H 57 8.648 8.648 8.921 -0.273 19766 3584 1 6 . 1 1 58 58 LYS N N 58 125.954 125.954 118.567 7.387 19766 3585 1 6 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.878 -0.413 19766 3586 1 6 . 1 1 58 58 LYS C C 58 174.900 174.900 174.189 0.711 19766 3587 1 6 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.065 -0.442 19766 3588 1 6 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.800 0.746 19766 3589 1 6 . 1 1 58 58 LYS H H 58 7.948 7.948 8.912 -0.964 19766 3590 1 6 . 1 1 59 59 TYR N N 59 126.396 126.396 123.821 2.575 19766 3591 1 6 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.664 0.436 19766 3592 1 6 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.022 -0.048 19766 3593 1 6 . 1 1 59 59 TYR CB C 59 42.498 42.498 40.876 1.622 19766 3594 1 6 . 1 1 59 59 TYR H H 59 9.007 9.007 8.317 0.690 19766 3595 1 6 . 1 1 60 60 GLU N N 60 120.848 120.848 120.665 0.183 19766 3596 1 6 . 1 1 60 60 GLU HA H 60 3.873 3.873 3.882 -0.009 19766 3597 1 6 . 1 1 60 60 GLU C C 60 175.081 175.081 175.809 -0.728 19766 3598 1 6 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.351 0.702 19766 3599 1 6 . 1 1 60 60 GLU CB C 60 30.867 30.867 29.732 1.135 19766 3600 1 6 . 1 1 60 60 GLU H H 60 8.973 8.973 7.636 1.337 19766 3601 1 6 . 1 1 61 61 ASP N N 61 117.604 117.604 117.934 -0.330 19766 3602 1 6 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.741 0.125 19766 3603 1 6 . 1 1 61 61 ASP C C 61 176.598 176.598 176.910 -0.312 19766 3604 1 6 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.729 -2.617 19766 3605 1 6 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.314 1.110 19766 3606 1 6 . 1 1 61 61 ASP H H 61 8.017 8.017 8.000 0.017 19766 3607 1 6 . 1 1 62 62 GLN N N 62 126.427 126.427 126.143 0.284 19766 3608 1 6 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.169 0.101 19766 3609 1 6 . 1 1 62 62 GLN C C 62 178.514 178.514 177.548 0.966 19766 3610 1 6 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.394 0.111 19766 3611 1 6 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.993 -1.020 19766 3612 1 6 . 1 1 62 62 GLN H H 62 9.007 9.007 8.931 0.076 19766 3613 1 6 . 1 1 63 63 ARG N N 63 121.369 121.369 120.632 0.737 19766 3614 1 6 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.031 -0.311 19766 3615 1 6 . 1 1 63 63 ARG C C 63 178.566 178.566 178.544 0.022 19766 3616 1 6 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.786 -0.704 19766 3617 1 6 . 1 1 63 63 ARG H H 63 9.013 9.013 8.929 0.084 19766 3618 1 6 . 1 1 64 64 SER N N 64 115.216 115.216 113.581 1.635 19766 3619 1 6 . 1 1 64 64 SER HA H 64 3.746 3.746 4.314 -0.568 19766 3620 1 6 . 1 1 64 64 SER C C 64 175.695 175.695 176.318 -0.623 19766 3621 1 6 . 1 1 64 64 SER CA C 64 63.651 63.651 61.202 2.449 19766 3622 1 6 . 1 1 64 64 SER H H 64 8.207 8.207 7.766 0.441 19766 3623 1 6 . 1 1 65 65 THR N N 65 111.402 111.402 120.776 -9.374 19766 3624 1 6 . 1 1 65 65 THR HA H 65 3.785 3.785 4.175 -0.390 19766 3625 1 6 . 1 1 65 65 THR C C 65 175.556 175.556 176.207 -0.651 19766 3626 1 6 . 1 1 65 65 THR CA C 65 66.178 66.178 67.569 -1.391 19766 3627 1 6 . 1 1 65 65 THR CB C 65 68.414 68.414 68.712 -0.298 19766 3628 1 6 . 1 1 65 65 THR H H 65 7.640 7.640 7.532 0.108 19766 3629 1 6 . 1 1 66 66 ILE N N 66 122.905 122.905 121.907 0.998 19766 3630 1 6 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.870 -0.168 19766 3631 1 6 . 1 1 66 66 ILE C C 66 177.292 177.292 177.816 -0.524 19766 3632 1 6 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.174 -0.920 19766 3633 1 6 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.786 0.613 19766 3634 1 6 . 1 1 66 66 ILE H H 66 6.702 6.702 8.621 -1.919 19766 3635 1 6 . 1 1 67 67 LEU N N 67 114.425 114.425 121.184 -6.759 19766 3636 1 6 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.806 -0.076 19766 3637 1 6 . 1 1 67 67 LEU C C 67 179.641 179.641 178.105 1.536 19766 3638 1 6 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.735 -0.148 19766 3639 1 6 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.195 0.487 19766 3640 1 6 . 1 1 67 67 LEU H H 67 6.975 6.975 7.619 -0.644 19766 3641 1 6 . 1 1 68 68 ALA N N 68 120.639 120.639 120.516 0.123 19766 3642 1 6 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.477 -0.042 19766 3643 1 6 . 1 1 68 68 ALA C C 68 179.087 179.087 179.780 -0.693 19766 3644 1 6 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.841 0.895 19766 3645 1 6 . 1 1 68 68 ALA CB C 68 19.013 19.013 17.970 1.043 19766 3646 1 6 . 1 1 68 68 ALA H H 68 8.225 8.225 7.702 0.523 19766 3647 1 6 . 1 1 69 69 VAL N N 69 118.866 118.866 116.364 2.502 19766 3648 1 6 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.646 -0.407 19766 3649 1 6 . 1 1 69 69 VAL C C 69 178.798 178.798 177.402 1.396 19766 3650 1 6 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.175 0.850 19766 3651 1 6 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.748 0.089 19766 3652 1 6 . 1 1 69 69 VAL H H 69 8.162 8.162 7.596 0.566 19766 3653 1 6 . 1 1 70 70 ASP N N 70 117.230 117.230 116.579 0.651 19766 3654 1 6 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.517 -0.463 19766 3655 1 6 . 1 1 70 70 ASP C C 70 178.297 178.297 176.857 1.440 19766 3656 1 6 . 1 1 70 70 ASP CA C 70 57.269 57.269 55.782 1.487 19766 3657 1 6 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.666 -2.044 19766 3658 1 6 . 1 1 70 70 ASP H H 70 8.262 8.262 7.487 0.775 19766 3659 1 6 . 1 1 71 71 ASN N N 71 111.214 111.214 117.235 -6.021 19766 3660 1 6 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.624 0.239 19766 3661 1 6 . 1 1 71 71 ASN C C 71 176.614 176.614 176.574 0.040 19766 3662 1 6 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.938 0.664 19766 3663 1 6 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.853 1.747 19766 3664 1 6 . 1 1 71 71 ASN H H 71 7.541 7.541 7.681 -0.140 19766 3665 1 6 . 1 1 72 72 LEU N N 72 116.127 116.127 118.507 -2.380 19766 3666 1 6 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.245 0.404 19766 3667 1 6 . 1 1 72 72 LEU C C 72 177.465 177.465 176.411 1.054 19766 3668 1 6 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.979 -0.628 19766 3669 1 6 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.217 0.331 19766 3670 1 6 . 1 1 72 72 LEU H H 72 8.323 8.323 7.646 0.677 19766 3671 1 6 . 1 1 73 73 ASN N N 73 118.792 118.792 117.909 0.883 19766 3672 1 6 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.631 -0.220 19766 3673 1 6 . 1 1 73 73 ASN C C 73 177.085 177.085 176.414 0.671 19766 3674 1 6 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.926 1.628 19766 3675 1 6 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.072 1.386 19766 3676 1 6 . 1 1 73 73 ASN H H 73 6.965 6.965 7.576 -0.611 19766 3677 1 6 . 1 1 74 74 GLY N N 74 115.779 115.779 114.331 1.448 19766 3678 1 6 . 1 1 74 74 GLY C C 74 172.848 172.848 173.800 -0.952 19766 3679 1 6 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.931 0.827 19766 3680 1 6 . 1 1 74 74 GLY H H 74 9.389 9.389 8.783 0.606 19766 3681 1 6 . 1 1 75 75 PHE N N 75 123.194 123.194 123.204 -0.010 19766 3682 1 6 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.451 -0.164 19766 3683 1 6 . 1 1 75 75 PHE C C 75 174.778 174.778 174.177 0.601 19766 3684 1 6 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.762 1.111 19766 3685 1 6 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.360 1.242 19766 3686 1 6 . 1 1 75 75 PHE H H 75 8.133 8.133 8.036 0.097 19766 3687 1 6 . 1 1 76 76 LYS N N 76 127.364 127.364 128.229 -0.865 19766 3688 1 6 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.515 0.156 19766 3689 1 6 . 1 1 76 76 LYS C C 76 175.286 175.286 175.404 -0.118 19766 3690 1 6 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.528 0.724 19766 3691 1 6 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.291 0.910 19766 3692 1 6 . 1 1 76 76 LYS H H 76 7.596 7.596 7.979 -0.383 19766 3693 1 6 . 1 1 77 77 ILE N N 77 120.094 120.094 126.882 -6.788 19766 3694 1 6 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.137 0.221 19766 3695 1 6 . 1 1 77 77 ILE C C 77 177.519 177.519 175.880 1.639 19766 3696 1 6 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.767 -0.264 19766 3697 1 6 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.967 0.669 19766 3698 1 6 . 1 1 77 77 ILE H H 77 8.004 8.004 8.974 -0.970 19766 3699 1 6 . 1 1 78 78 GLY N N 78 119.932 119.932 115.467 4.465 19766 3700 1 6 . 1 1 78 78 GLY C C 78 175.944 175.944 175.424 0.520 19766 3701 1 6 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.002 2.217 19766 3702 1 6 . 1 1 78 78 GLY H H 78 10.183 10.183 9.014 1.169 19766 3703 1 6 . 1 1 79 79 GLY N N 79 104.505 104.505 104.323 0.182 19766 3704 1 6 . 1 1 79 79 GLY C C 79 173.347 173.347 173.681 -0.334 19766 3705 1 6 . 1 1 79 79 GLY CA C 79 45.092 45.092 45.019 0.073 19766 3706 1 6 . 1 1 79 79 GLY H H 79 8.892 8.892 8.371 0.521 19766 3707 1 6 . 1 1 80 80 ARG N N 80 119.144 119.144 119.290 -0.146 19766 3708 1 6 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.721 -0.055 19766 3709 1 6 . 1 1 80 80 ARG C C 80 174.693 174.693 174.079 0.614 19766 3710 1 6 . 1 1 80 80 ARG CA C 80 54.678 54.678 53.933 0.745 19766 3711 1 6 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.593 0.814 19766 3712 1 6 . 1 1 80 80 ARG H H 80 7.281 7.281 7.427 -0.146 19766 3713 1 6 . 1 1 81 81 ALA N N 81 126.229 126.229 125.761 0.468 19766 3714 1 6 . 1 1 81 81 ALA HA H 81 4.201 4.201 4.999 -0.798 19766 3715 1 6 . 1 1 81 81 ALA C C 81 176.967 176.967 177.601 -0.634 19766 3716 1 6 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.218 0.911 19766 3717 1 6 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.806 -0.606 19766 3718 1 6 . 1 1 81 81 ALA H H 81 8.673 8.673 8.457 0.216 19766 3719 1 6 . 1 1 82 82 LEU N N 82 125.471 125.471 121.634 3.837 19766 3720 1 6 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.683 -0.259 19766 3721 1 6 . 1 1 82 82 LEU C C 82 177.436 177.436 175.988 1.448 19766 3722 1 6 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.636 1.514 19766 3723 1 6 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.678 0.595 19766 3724 1 6 . 1 1 82 82 LEU H H 82 8.702 8.702 8.384 0.318 19766 3725 1 6 . 1 1 83 83 LYS N N 83 123.609 123.609 123.558 0.051 19766 3726 1 6 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.497 -0.492 19766 3727 1 6 . 1 1 83 83 LYS C C 83 174.759 174.759 175.285 -0.526 19766 3728 1 6 . 1 1 83 83 LYS CA C 83 54.785 54.785 53.762 1.023 19766 3729 1 6 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.491 -0.045 19766 3730 1 6 . 1 1 83 83 LYS H H 83 7.853 7.853 8.850 -0.997 19766 3731 1 6 . 1 1 84 84 ILE N N 84 125.547 125.547 128.960 -3.413 19766 3732 1 6 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.589 0.110 19766 3733 1 6 . 1 1 84 84 ILE C C 84 174.989 174.989 175.774 -0.785 19766 3734 1 6 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.303 -1.884 19766 3735 1 6 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.669 -0.301 19766 3736 1 6 . 1 1 84 84 ILE H H 84 8.719 8.719 8.508 0.211 19766 3737 1 6 . 1 1 85 85 ASP N N 85 124.650 124.650 123.807 0.843 19766 3738 1 6 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.971 0.033 19766 3739 1 6 . 1 1 85 85 ASP C C 85 175.302 175.302 174.363 0.939 19766 3740 1 6 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.243 0.238 19766 3741 1 6 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.567 0.902 19766 3742 1 6 . 1 1 85 85 ASP H H 85 8.826 8.826 9.067 -0.241 19766 3743 1 6 . 1 1 86 86 HIS N N 86 121.936 121.936 118.273 3.663 19766 3744 1 6 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.426 -0.723 19766 3745 1 6 . 1 1 86 86 HIS C C 86 175.216 175.216 175.137 0.079 19766 3746 1 6 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.931 1.013 19766 3747 1 6 . 1 1 86 86 HIS CB C 86 31.480 31.480 32.019 -0.539 19766 3748 1 6 . 1 1 86 86 HIS H H 86 8.909 8.909 8.806 0.103 19766 3749 1 6 . 1 1 87 87 THR N N 87 116.612 116.612 116.541 0.071 19766 3750 1 6 . 1 1 87 87 THR HA H 87 4.688 4.688 4.875 -0.186 19766 3751 1 6 . 1 1 87 87 THR CA C 87 61.030 61.030 61.092 -0.062 19766 3752 1 6 . 1 1 87 87 THR CB C 87 69.903 69.903 71.450 -1.547 19766 3753 1 6 . 1 1 87 87 THR H H 87 8.521 8.521 8.954 -0.433 19766 3754 1 6 . 1 1 88 88 PHE N N 88 123.233 123.233 123.649 -0.416 19766 3755 1 6 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.925 0.369 19766 3756 1 6 . 1 1 88 88 PHE C C 88 176.452 176.452 173.414 3.038 19766 3757 1 6 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.774 -0.841 19766 3758 1 6 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.621 -0.508 19766 3759 1 6 . 1 1 88 88 PHE H H 88 8.145 8.145 8.230 -0.085 19766 3760 1 6 . 1 1 89 89 TYR N N 89 122.872 122.872 123.272 -0.400 19766 3761 1 6 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.910 -0.836 19766 3762 1 6 . 1 1 89 89 TYR C C 89 173.089 173.089 173.161 -0.072 19766 3763 1 6 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.516 2.013 19766 3764 1 6 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.221 -0.413 19766 3765 1 6 . 1 1 89 89 TYR H H 89 8.242 8.242 7.468 0.774 19766 3766 1 6 . 1 1 90 90 ARG N N 90 128.867 128.867 121.730 7.137 19766 3767 1 6 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.090 0.339 19766 3768 1 6 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.237 -1.669 19766 3769 1 6 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.528 1.466 19766 3770 1 6 . 1 1 90 90 ARG H H 90 7.018 7.018 8.520 -1.502 19766 3771 1 6 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.785 0.405 19766 3772 1 6 . 1 1 91 91 PRO C C 91 176.284 176.284 176.619 -0.335 19766 3773 1 6 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.873 -0.384 19766 3774 1 6 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.424 1.623 19766 3775 1 6 . 1 1 92 92 LYS N N 92 119.987 119.987 124.243 -4.256 19766 3776 1 6 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.062 0.620 19766 3777 1 6 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.213 -1.526 19766 3778 1 6 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.015 2.044 19766 3779 1 6 . 1 1 92 92 LYS H H 92 8.672 8.672 8.030 0.642 19766 3780 1 6 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.083 0.091 19766 3781 1 6 . 1 1 93 93 ARG C C 93 178.848 178.848 178.998 -0.150 19766 3782 1 6 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.755 0.437 19766 3783 1 6 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.608 0.188 19766 3784 1 6 . 1 1 94 94 SER N N 94 112.252 112.252 114.422 -2.170 19766 3785 1 6 . 1 1 94 94 SER HA H 94 4.266 4.266 4.246 0.020 19766 3786 1 6 . 1 1 94 94 SER C C 94 175.827 175.827 175.266 0.561 19766 3787 1 6 . 1 1 94 94 SER CA C 94 60.087 60.087 61.100 -1.013 19766 3788 1 6 . 1 1 94 94 SER CB C 94 62.266 62.266 62.839 -0.573 19766 3789 1 6 . 1 1 94 94 SER H H 94 8.353 8.353 8.423 -0.070 19766 3790 1 6 . 1 1 95 95 LEU N N 95 122.261 122.261 119.180 3.081 19766 3791 1 6 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.728 -0.063 19766 3792 1 6 . 1 1 95 95 LEU C C 95 175.444 175.444 177.537 -2.093 19766 3793 1 6 . 1 1 95 95 LEU CA C 95 54.104 54.104 54.093 0.011 19766 3794 1 6 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.380 0.532 19766 3795 1 6 . 1 1 95 95 LEU H H 95 7.229 7.229 7.806 -0.577 19766 3796 1 6 . 1 1 96 96 GLN N N 96 118.873 118.873 120.935 -2.062 19766 3797 1 6 . 1 1 96 96 GLN HA H 96 4.093 4.093 3.936 0.157 19766 3798 1 6 . 1 1 96 96 GLN C C 96 177.668 177.668 177.574 0.094 19766 3799 1 6 . 1 1 96 96 GLN CA C 96 60.710 60.710 58.888 1.823 19766 3800 1 6 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.439 0.541 19766 3801 1 6 . 1 1 96 96 GLN H H 96 7.390 7.390 8.054 -0.664 19766 3802 1 6 . 1 1 97 97 LYS N N 97 116.416 116.416 119.661 -3.245 19766 3803 1 6 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.097 0.020 19766 3804 1 6 . 1 1 97 97 LYS C C 97 179.237 179.237 179.125 0.112 19766 3805 1 6 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.525 0.868 19766 3806 1 6 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.511 0.005 19766 3807 1 6 . 1 1 97 97 LYS H H 97 8.595 8.595 8.380 0.215 19766 3808 1 6 . 1 1 98 98 TYR N N 98 123.922 123.922 121.945 1.977 19766 3809 1 6 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.161 -0.024 19766 3810 1 6 . 1 1 98 98 TYR C C 98 177.309 177.309 177.886 -0.577 19766 3811 1 6 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.251 -0.022 19766 3812 1 6 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.474 -1.184 19766 3813 1 6 . 1 1 98 98 TYR H H 98 7.558 7.558 8.114 -0.556 19766 3814 1 6 . 1 1 99 99 TYR N N 99 118.047 118.047 118.198 -0.151 19766 3815 1 6 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.182 0.926 19766 3816 1 6 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.874 -3.976 19766 3817 1 6 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.111 -0.889 19766 3818 1 6 . 1 1 99 99 TYR H H 99 8.624 8.624 8.020 0.604 19766 3819 1 6 . 1 1 100 100 GLU N N 100 118.804 118.804 118.535 0.269 19766 3820 1 6 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.981 0.085 19766 3821 1 6 . 1 1 100 100 GLU C C 100 178.595 178.595 178.494 0.101 19766 3822 1 6 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.415 0.070 19766 3823 1 6 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.177 0.618 19766 3824 1 6 . 1 1 100 100 GLU H H 100 8.348 8.348 8.815 -0.467 19766 3825 1 6 . 1 1 101 101 ALA N N 101 123.315 123.315 121.987 1.328 19766 3826 1 6 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.004 0.291 19766 3827 1 6 . 1 1 101 101 ALA C C 101 181.438 181.438 179.902 1.536 19766 3828 1 6 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.801 0.057 19766 3829 1 6 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.387 0.290 19766 3830 1 6 . 1 1 101 101 ALA H H 101 7.963 7.963 7.951 0.012 19766 3831 1 6 . 1 1 102 102 VAL N N 102 120.092 120.092 118.462 1.630 19766 3832 1 6 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.491 0.286 19766 3833 1 6 . 1 1 102 102 VAL C C 102 176.958 176.958 177.800 -0.842 19766 3834 1 6 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.364 1.041 19766 3835 1 6 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.843 -0.007 19766 3836 1 6 . 1 1 102 102 VAL H H 102 8.321 8.321 7.694 0.627 19766 3837 1 6 . 1 1 103 103 LYS N N 103 120.226 120.226 118.476 1.750 19766 3838 1 6 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.131 -0.205 19766 3839 1 6 . 1 1 103 103 LYS C C 103 178.354 178.354 178.779 -0.425 19766 3840 1 6 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.004 0.679 19766 3841 1 6 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.896 0.280 19766 3842 1 6 . 1 1 103 103 LYS H H 103 8.266 8.266 8.070 0.196 19766 3843 1 6 . 1 1 104 104 GLU N N 104 116.521 116.521 120.018 -3.497 19766 3844 1 6 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.020 -0.059 19766 3845 1 6 . 1 1 104 104 GLU C C 104 178.628 178.628 179.079 -0.451 19766 3846 1 6 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.440 -0.330 19766 3847 1 6 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.976 0.749 19766 3848 1 6 . 1 1 104 104 GLU H H 104 8.027 8.027 8.656 -0.629 19766 3849 1 6 . 1 1 105 105 GLU N N 105 118.569 118.569 118.156 0.413 19766 3850 1 6 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.159 -0.259 19766 3851 1 6 . 1 1 105 105 GLU C C 105 178.399 178.399 179.325 -0.926 19766 3852 1 6 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.169 0.096 19766 3853 1 6 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.556 0.217 19766 3854 1 6 . 1 1 105 105 GLU H H 105 7.225 7.225 7.603 -0.378 19766 3855 1 6 . 1 1 106 106 LEU N N 106 116.938 116.938 120.764 -3.826 19766 3856 1 6 . 1 1 106 106 LEU HA H 106 4.033 4.033 3.998 0.035 19766 3857 1 6 . 1 1 106 106 LEU C C 106 179.770 179.770 179.084 0.686 19766 3858 1 6 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.482 -0.557 19766 3859 1 6 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.590 -1.304 19766 3860 1 6 . 1 1 106 106 LEU H H 106 8.273 8.273 7.347 0.926 19766 3861 1 6 . 1 1 107 107 ASP N N 107 119.855 119.855 119.191 0.664 19766 3862 1 6 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.288 0.260 19766 3863 1 6 . 1 1 107 107 ASP C C 107 177.891 177.891 177.819 0.072 19766 3864 1 6 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.653 -1.720 19766 3865 1 6 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.807 -0.093 19766 3866 1 6 . 1 1 107 107 ASP H H 107 8.286 8.286 8.903 -0.617 19766 3867 1 6 . 1 1 108 108 ARG N N 108 118.853 118.853 114.995 3.858 19766 3868 1 6 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.207 -0.126 19766 3869 1 6 . 1 1 108 108 ARG C C 108 177.325 177.325 177.655 -0.330 19766 3870 1 6 . 1 1 108 108 ARG CA C 108 58.009 58.009 56.699 1.310 19766 3871 1 6 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.762 0.642 19766 3872 1 6 . 1 1 108 108 ARG H H 108 7.406 7.406 7.551 -0.145 19766 3873 1 6 . 1 1 109 109 ASP N N 109 119.636 119.636 116.641 2.995 19766 3874 1 6 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.669 -0.134 19766 3875 1 6 . 1 1 109 109 ASP C C 109 176.758 176.758 176.991 -0.233 19766 3876 1 6 . 1 1 109 109 ASP CA C 109 55.238 55.238 54.825 0.413 19766 3877 1 6 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.730 -0.985 19766 3878 1 6 . 1 1 109 109 ASP H H 109 7.853 7.853 7.865 -0.012 19766 3879 1 6 . 1 1 110 110 ILE N N 110 119.905 119.905 119.069 0.836 19766 3880 1 6 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.019 0.085 19766 3881 1 6 . 1 1 110 110 ILE C C 110 176.642 176.642 176.360 0.282 19766 3882 1 6 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.312 -1.536 19766 3883 1 6 . 1 1 110 110 ILE CB C 110 38.454 38.454 39.046 -0.592 19766 3884 1 6 . 1 1 110 110 ILE H H 110 7.623 7.623 7.273 0.350 19766 3885 1 6 . 1 1 111 111 VAL N N 111 122.938 122.938 120.989 1.949 19766 3886 1 6 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.985 0.093 19766 3887 1 6 . 1 1 111 111 VAL C C 111 176.668 176.668 174.905 1.763 19766 3888 1 6 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.720 0.317 19766 3889 1 6 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.902 -0.420 19766 3890 1 6 . 1 1 111 111 VAL H H 111 8.043 8.043 8.052 -0.009 19766 3891 1 6 . 1 1 112 112 SER N N 112 118.345 118.345 124.540 -6.195 19766 3892 1 6 . 1 1 112 112 SER HA H 112 4.417 4.417 4.691 -0.274 19766 3893 1 6 . 1 1 112 112 SER C C 112 174.925 174.925 174.596 0.329 19766 3894 1 6 . 1 1 112 112 SER CA C 112 58.848 58.848 57.120 1.728 19766 3895 1 6 . 1 1 112 112 SER CB C 112 63.551 63.551 64.633 -1.082 19766 3896 1 6 . 1 1 112 112 SER H H 112 8.210 8.210 8.349 -0.139 19766 3897 1 6 . 1 1 113 113 LYS N N 113 122.729 122.729 122.258 0.471 19766 3898 1 6 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.314 0.004 19766 3899 1 6 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.697 -0.101 19766 3900 1 6 . 1 1 113 113 LYS CB C 113 32.846 32.846 31.171 1.675 19766 3901 1 6 . 1 1 113 113 LYS H H 113 8.295 8.295 8.617 -0.322 19766 3902 1 6 . 1 1 114 114 ASN N N 114 119.243 119.243 119.827 -0.584 19766 3903 1 6 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.851 -0.173 19766 3904 1 6 . 1 1 114 114 ASN CA C 114 53.483 53.483 51.943 1.540 19766 3905 1 6 . 1 1 114 114 ASN CB C 114 38.858 38.858 40.585 -1.727 19766 3906 1 6 . 1 1 114 114 ASN H H 114 8.372 8.372 8.244 0.128 19766 3907 1 6 . 1 1 115 115 ASN N N 115 119.155 119.155 115.360 3.795 19766 3908 1 6 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.341 0.341 19766 3909 1 6 . 1 1 115 115 ASN C C 115 174.877 174.877 174.632 0.245 19766 3910 1 6 . 1 1 115 115 ASN CA C 115 53.483 53.483 55.745 -2.262 19766 3911 1 6 . 1 1 115 115 ASN CB C 115 38.858 38.858 37.654 1.204 19766 3912 1 6 . 1 1 115 115 ASN H H 115 8.372 8.372 8.859 -0.487 19766 3913 1 6 . 1 1 116 116 ALA N N 116 123.743 123.743 124.075 -0.332 19766 3914 1 6 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.427 -0.098 19766 3915 1 6 . 1 1 116 116 ALA C C 116 177.574 177.574 177.144 0.430 19766 3916 1 6 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.864 0.829 19766 3917 1 6 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.498 0.849 19766 3918 1 6 . 1 1 116 116 ALA H H 116 8.116 8.116 7.770 0.346 19766 3919 1 6 . 1 1 117 117 GLU N N 117 120.161 120.161 123.256 -3.095 19766 3920 1 6 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.187 0.086 19766 3921 1 6 . 1 1 117 117 GLU C C 117 175.557 175.557 176.518 -0.961 19766 3922 1 6 . 1 1 117 117 GLU CA C 117 56.659 56.659 57.913 -1.254 19766 3923 1 6 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.193 -0.039 19766 3924 1 6 . 1 1 117 117 GLU H H 117 8.220 8.220 8.620 -0.400 19766 3925 1 7 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.586 -0.246 19766 3926 1 7 . 1 1 2 2 ALA C C 2 177.830 177.830 176.581 1.249 19766 3927 1 7 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.498 1.195 19766 3928 1 7 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.733 0.626 19766 3929 1 7 . 1 1 3 3 MET N N 3 119.580 119.580 117.494 2.086 19766 3930 1 7 . 1 1 3 3 MET HA H 3 4.482 4.482 4.671 -0.189 19766 3931 1 7 . 1 1 3 3 MET C C 3 176.714 176.714 175.674 1.040 19766 3932 1 7 . 1 1 3 3 MET CA C 3 55.590 55.590 55.342 0.248 19766 3933 1 7 . 1 1 3 3 MET CB C 3 32.922 32.922 33.827 -0.905 19766 3934 1 7 . 1 1 3 3 MET H H 3 8.451 8.451 7.724 0.727 19766 3935 1 7 . 1 1 4 4 GLY N N 4 109.951 109.951 110.541 -0.590 19766 3936 1 7 . 1 1 4 4 GLY C C 4 174.082 174.082 174.762 -0.680 19766 3937 1 7 . 1 1 4 4 GLY CA C 4 45.466 45.466 46.813 -1.347 19766 3938 1 7 . 1 1 4 4 GLY H H 4 8.400 8.400 10.008 -1.608 19766 3939 1 7 . 1 1 5 5 ASN N N 5 118.667 118.667 119.794 -1.127 19766 3940 1 7 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.410 0.274 19766 3941 1 7 . 1 1 5 5 ASN C C 5 175.489 175.489 176.143 -0.654 19766 3942 1 7 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.580 -1.079 19766 3943 1 7 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.206 0.760 19766 3944 1 7 . 1 1 5 5 ASN H H 5 8.378 8.378 8.412 -0.034 19766 3945 1 7 . 1 1 6 6 GLU N N 6 120.908 120.908 117.681 3.227 19766 3946 1 7 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.091 0.075 19766 3947 1 7 . 1 1 6 6 GLU C C 6 176.336 176.336 175.383 0.953 19766 3948 1 7 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.225 1.044 19766 3949 1 7 . 1 1 6 6 GLU CB C 6 29.736 29.736 27.770 1.966 19766 3950 1 7 . 1 1 6 6 GLU H H 6 8.620 8.620 8.381 0.239 19766 3951 1 7 . 1 1 7 7 TYR N N 7 120.339 120.339 119.378 0.961 19766 3952 1 7 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.698 -0.198 19766 3953 1 7 . 1 1 7 7 TYR C C 7 175.808 175.808 174.999 0.809 19766 3954 1 7 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.160 1.991 19766 3955 1 7 . 1 1 7 7 TYR CB C 7 38.194 38.194 41.013 -2.819 19766 3956 1 7 . 1 1 7 7 TYR H H 7 8.045 8.045 7.514 0.531 19766 3957 1 7 . 1 1 8 8 LYS N N 8 121.700 121.700 117.778 3.922 19766 3958 1 7 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.409 -0.259 19766 3959 1 7 . 1 1 8 8 LYS C C 8 175.868 175.868 175.864 0.004 19766 3960 1 7 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.499 0.062 19766 3961 1 7 . 1 1 8 8 LYS CB C 8 33.158 33.158 33.606 -0.448 19766 3962 1 7 . 1 1 8 8 LYS H H 8 7.829 7.829 8.453 -0.624 19766 3963 1 7 . 1 1 9 9 ASP N N 9 119.811 119.811 117.314 2.497 19766 3964 1 7 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.571 0.067 19766 3965 1 7 . 1 1 9 9 ASP C C 9 175.972 175.972 175.908 0.064 19766 3966 1 7 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.318 0.306 19766 3967 1 7 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.248 1.291 19766 3968 1 7 . 1 1 9 9 ASP H H 9 8.137 8.137 8.215 -0.078 19766 3969 1 7 . 1 1 10 10 ASN N N 10 119.794 119.794 119.170 0.624 19766 3970 1 7 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.952 0.020 19766 3971 1 7 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.903 -0.057 19766 3972 1 7 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.725 0.034 19766 3973 1 7 . 1 1 10 10 ASN H H 10 8.292 8.292 8.237 0.055 19766 3974 1 7 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.620 -0.017 19766 3975 1 7 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.681 0.568 19766 3976 1 7 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.622 -0.434 19766 3977 1 7 . 1 1 12 12 TYR N N 12 118.889 118.889 119.367 -0.478 19766 3978 1 7 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.228 -0.084 19766 3979 1 7 . 1 1 12 12 TYR C C 12 177.773 177.773 175.729 2.044 19766 3980 1 7 . 1 1 12 12 TYR CA C 12 57.183 57.183 57.923 -0.740 19766 3981 1 7 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.662 2.920 19766 3982 1 7 . 1 1 12 12 TYR H H 12 8.057 8.057 7.882 0.175 19766 3983 1 7 . 1 1 13 13 ILE N N 13 112.765 112.765 118.469 -5.704 19766 3984 1 7 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.131 0.023 19766 3985 1 7 . 1 1 13 13 ILE C C 13 174.312 174.312 174.681 -0.369 19766 3986 1 7 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.145 0.891 19766 3987 1 7 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.746 -0.850 19766 3988 1 7 . 1 1 13 13 ILE H H 13 9.310 9.310 9.304 0.006 19766 3989 1 7 . 1 1 14 14 TYR N N 14 124.417 124.417 128.599 -4.182 19766 3990 1 7 . 1 1 14 14 TYR HA H 14 4.707 4.707 5.014 -0.307 19766 3991 1 7 . 1 1 14 14 TYR C C 14 173.058 173.058 174.117 -1.059 19766 3992 1 7 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.390 -1.178 19766 3993 1 7 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.476 0.743 19766 3994 1 7 . 1 1 14 14 TYR H H 14 9.252 9.252 9.033 0.219 19766 3995 1 7 . 1 1 15 15 ILE N N 15 127.660 127.660 129.074 -1.414 19766 3996 1 7 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.088 -0.823 19766 3997 1 7 . 1 1 15 15 ILE C C 15 173.705 173.705 174.724 -1.019 19766 3998 1 7 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.630 -0.145 19766 3999 1 7 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.631 1.371 19766 4000 1 7 . 1 1 15 15 ILE H H 15 8.558 8.558 8.883 -0.325 19766 4001 1 7 . 1 1 16 16 GLY N N 16 112.792 112.792 112.643 0.149 19766 4002 1 7 . 1 1 16 16 GLY C C 16 173.110 173.110 173.167 -0.057 19766 4003 1 7 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.853 0.396 19766 4004 1 7 . 1 1 16 16 GLY H H 16 9.516 9.516 8.814 0.702 19766 4005 1 7 . 1 1 17 17 ASN N N 17 115.139 115.139 115.614 -0.475 19766 4006 1 7 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.260 0.136 19766 4007 1 7 . 1 1 17 17 ASN C C 17 174.854 174.854 173.891 0.963 19766 4008 1 7 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.700 -0.464 19766 4009 1 7 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.803 0.130 19766 4010 1 7 . 1 1 17 17 ASN H H 17 8.511 8.511 8.576 -0.065 19766 4011 1 7 . 1 1 18 18 LEU N N 18 114.660 114.660 118.594 -3.934 19766 4012 1 7 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.500 -0.464 19766 4013 1 7 . 1 1 18 18 LEU C C 18 178.161 178.161 176.761 1.400 19766 4014 1 7 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.693 0.191 19766 4015 1 7 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.609 -1.047 19766 4016 1 7 . 1 1 18 18 LEU H H 18 7.839 7.839 7.693 0.146 19766 4017 1 7 . 1 1 19 19 ASN N N 19 122.707 122.707 118.592 4.115 19766 4018 1 7 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.639 -0.276 19766 4019 1 7 . 1 1 19 19 ASN C C 19 178.037 178.037 176.457 1.580 19766 4020 1 7 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.457 2.147 19766 4021 1 7 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.390 -0.578 19766 4022 1 7 . 1 1 19 19 ASN H H 19 8.779 8.779 8.384 0.395 19766 4023 1 7 . 1 1 20 20 ARG N N 20 128.724 128.724 118.953 9.771 19766 4024 1 7 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.034 -0.181 19766 4025 1 7 . 1 1 20 20 ARG C C 20 175.612 175.612 177.011 -1.399 19766 4026 1 7 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.574 0.200 19766 4027 1 7 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.231 -0.547 19766 4028 1 7 . 1 1 20 20 ARG H H 20 8.954 8.954 8.748 0.206 19766 4029 1 7 . 1 1 21 21 GLU N N 21 117.609 117.609 116.223 1.386 19766 4030 1 7 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.216 0.057 19766 4031 1 7 . 1 1 21 21 GLU C C 21 177.285 177.285 176.536 0.749 19766 4032 1 7 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.322 0.460 19766 4033 1 7 . 1 1 21 21 GLU CB C 21 30.498 30.498 29.024 1.474 19766 4034 1 7 . 1 1 21 21 GLU H H 21 9.092 9.092 8.063 1.029 19766 4035 1 7 . 1 1 22 22 LEU N N 22 116.169 116.169 122.811 -6.642 19766 4036 1 7 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.387 0.169 19766 4037 1 7 . 1 1 22 22 LEU C C 22 178.328 178.328 176.603 1.725 19766 4038 1 7 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.901 0.755 19766 4039 1 7 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.566 0.660 19766 4040 1 7 . 1 1 22 22 LEU H H 22 7.208 7.208 7.471 -0.263 19766 4041 1 7 . 1 1 23 23 THR N N 23 113.733 113.733 117.182 -3.449 19766 4042 1 7 . 1 1 23 23 THR HA H 23 4.349 4.349 4.635 -0.286 19766 4043 1 7 . 1 1 23 23 THR C C 23 175.225 175.225 175.368 -0.143 19766 4044 1 7 . 1 1 23 23 THR CA C 23 59.960 59.960 59.596 0.364 19766 4045 1 7 . 1 1 23 23 THR CB C 23 72.172 72.172 71.195 0.977 19766 4046 1 7 . 1 1 23 23 THR H H 23 8.732 8.732 8.069 0.663 19766 4047 1 7 . 1 1 24 24 GLU N N 24 119.838 119.838 122.833 -2.995 19766 4048 1 7 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.042 -0.385 19766 4049 1 7 . 1 1 24 24 GLU C C 24 178.983 178.983 178.784 0.199 19766 4050 1 7 . 1 1 24 24 GLU CA C 24 63.571 63.571 61.015 2.556 19766 4051 1 7 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.272 -1.926 19766 4052 1 7 . 1 1 24 24 GLU H H 24 9.761 9.761 8.980 0.781 19766 4053 1 7 . 1 1 25 25 GLY N N 25 104.462 104.462 106.426 -1.964 19766 4054 1 7 . 1 1 25 25 GLY C C 25 175.139 175.139 175.812 -0.673 19766 4055 1 7 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.819 0.786 19766 4056 1 7 . 1 1 25 25 GLY H H 25 8.486 8.486 8.591 -0.105 19766 4057 1 7 . 1 1 26 26 ASP N N 26 123.296 123.296 122.812 0.484 19766 4058 1 7 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.489 0.081 19766 4059 1 7 . 1 1 26 26 ASP C C 26 178.135 178.135 178.270 -0.135 19766 4060 1 7 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.288 0.524 19766 4061 1 7 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.010 0.875 19766 4062 1 7 . 1 1 26 26 ASP H H 26 7.960 7.960 7.633 0.327 19766 4063 1 7 . 1 1 27 27 ILE N N 27 118.853 118.853 120.700 -1.847 19766 4064 1 7 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.730 -0.123 19766 4065 1 7 . 1 1 27 27 ILE C C 27 178.424 178.424 178.142 0.282 19766 4066 1 7 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.392 0.349 19766 4067 1 7 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.865 -0.153 19766 4068 1 7 . 1 1 27 27 ILE H H 27 8.159 8.159 7.622 0.537 19766 4069 1 7 . 1 1 28 28 LEU N N 28 118.549 118.549 119.584 -1.035 19766 4070 1 7 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.879 0.025 19766 4071 1 7 . 1 1 28 28 LEU C C 28 180.057 180.057 179.327 0.730 19766 4072 1 7 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.448 0.083 19766 4073 1 7 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.322 0.623 19766 4074 1 7 . 1 1 28 28 LEU H H 28 8.414 8.414 8.527 -0.113 19766 4075 1 7 . 1 1 29 29 THR N N 29 122.156 122.156 115.019 7.137 19766 4076 1 7 . 1 1 29 29 THR HA H 29 4.032 4.032 4.030 0.002 19766 4077 1 7 . 1 1 29 29 THR C C 29 175.113 175.113 176.254 -1.141 19766 4078 1 7 . 1 1 29 29 THR CA C 29 66.754 66.754 66.398 0.356 19766 4079 1 7 . 1 1 29 29 THR CB C 29 68.490 68.490 69.150 -0.660 19766 4080 1 7 . 1 1 29 29 THR H H 29 8.715 8.715 7.942 0.773 19766 4081 1 7 . 1 1 30 30 VAL N N 30 116.487 116.487 117.047 -0.560 19766 4082 1 7 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.996 -0.165 19766 4083 1 7 . 1 1 30 30 VAL C C 30 179.968 179.968 177.627 2.341 19766 4084 1 7 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.029 0.485 19766 4085 1 7 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.631 1.413 19766 4086 1 7 . 1 1 30 30 VAL H H 30 7.713 7.713 7.886 -0.173 19766 4087 1 7 . 1 1 31 31 PHE N N 31 113.658 113.658 119.689 -6.031 19766 4088 1 7 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.728 -0.861 19766 4089 1 7 . 1 1 31 31 PHE C C 31 179.577 179.577 177.471 2.106 19766 4090 1 7 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.378 2.025 19766 4091 1 7 . 1 1 31 31 PHE CB C 31 37.313 37.313 39.231 -1.918 19766 4092 1 7 . 1 1 31 31 PHE H H 31 8.876 8.876 8.796 0.080 19766 4093 1 7 . 1 1 32 32 SER N N 32 118.635 118.635 114.421 4.214 19766 4094 1 7 . 1 1 32 32 SER HA H 32 5.381 5.381 4.786 0.595 19766 4095 1 7 . 1 1 32 32 SER C C 32 172.662 172.662 176.720 -4.058 19766 4096 1 7 . 1 1 32 32 SER CA C 32 61.338 61.338 60.136 1.202 19766 4097 1 7 . 1 1 32 32 SER CB C 32 63.875 63.875 62.871 1.004 19766 4098 1 7 . 1 1 32 32 SER H H 32 8.106 8.106 8.168 -0.062 19766 4099 1 7 . 1 1 33 33 GLU N N 33 121.234 121.234 124.861 -3.627 19766 4100 1 7 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.129 -1.972 19766 4101 1 7 . 1 1 33 33 GLU C C 33 174.223 174.223 176.512 -2.289 19766 4102 1 7 . 1 1 33 33 GLU CA C 33 59.640 59.640 59.250 0.390 19766 4103 1 7 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.765 -1.934 19766 4104 1 7 . 1 1 33 33 GLU H H 33 6.964 6.964 7.840 -0.876 19766 4105 1 7 . 1 1 34 34 TYR N N 34 107.930 107.930 114.224 -6.294 19766 4106 1 7 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.913 -0.760 19766 4107 1 7 . 1 1 34 34 TYR C C 34 173.208 173.208 174.391 -1.183 19766 4108 1 7 . 1 1 34 34 TYR CA C 34 57.329 57.329 55.352 1.977 19766 4109 1 7 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.296 0.582 19766 4110 1 7 . 1 1 34 34 TYR H H 34 6.229 6.229 8.126 -1.897 19766 4111 1 7 . 1 1 35 35 GLY N N 35 103.542 103.542 105.815 -2.273 19766 4112 1 7 . 1 1 35 35 GLY C C 35 170.379 170.379 172.233 -1.854 19766 4113 1 7 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.092 -0.413 19766 4114 1 7 . 1 1 35 35 GLY H H 35 7.257 7.257 7.140 0.117 19766 4115 1 7 . 1 1 36 36 VAL N N 36 120.446 120.446 119.236 1.210 19766 4116 1 7 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.432 0.072 19766 4117 1 7 . 1 1 36 36 VAL CA C 36 59.715 59.715 58.725 0.990 19766 4118 1 7 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.547 0.484 19766 4119 1 7 . 1 1 36 36 VAL H H 36 8.438 8.438 8.681 -0.243 19766 4120 1 7 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.052 0.651 19766 4121 1 7 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.251 0.123 19766 4122 1 7 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.299 0.772 19766 4123 1 7 . 1 1 38 38 VAL N N 38 113.929 113.929 122.384 -8.455 19766 4124 1 7 . 1 1 38 38 VAL HA H 38 4.482 4.482 3.882 0.600 19766 4125 1 7 . 1 1 38 38 VAL CA C 38 60.454 60.454 64.575 -4.121 19766 4126 1 7 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.390 0.114 19766 4127 1 7 . 1 1 38 38 VAL H H 38 8.966 8.966 8.014 0.952 19766 4128 1 7 . 1 1 39 39 ASP N N 39 118.213 118.213 116.121 2.092 19766 4129 1 7 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.735 -0.060 19766 4130 1 7 . 1 1 39 39 ASP C C 39 174.637 174.637 173.647 0.990 19766 4131 1 7 . 1 1 39 39 ASP CA C 39 54.688 54.688 52.959 1.730 19766 4132 1 7 . 1 1 39 39 ASP CB C 39 43.807 43.807 43.788 0.019 19766 4133 1 7 . 1 1 39 39 ASP H H 39 7.500 7.500 7.743 -0.243 19766 4134 1 7 . 1 1 40 40 VAL N N 40 121.576 121.576 122.803 -1.227 19766 4135 1 7 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.049 -0.058 19766 4136 1 7 . 1 1 40 40 VAL C C 40 170.562 170.562 173.227 -2.665 19766 4137 1 7 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.982 0.376 19766 4138 1 7 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.944 -0.725 19766 4139 1 7 . 1 1 40 40 VAL H H 40 7.657 7.657 8.502 -0.845 19766 4140 1 7 . 1 1 41 41 ILE N N 41 125.384 125.384 121.314 4.070 19766 4141 1 7 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.759 0.059 19766 4142 1 7 . 1 1 41 41 ILE C C 41 175.425 175.425 172.869 2.556 19766 4143 1 7 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.517 1.973 19766 4144 1 7 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.478 1.078 19766 4145 1 7 . 1 1 41 41 ILE H H 41 8.901 8.901 8.851 0.050 19766 4146 1 7 . 1 1 42 42 LEU N N 42 128.888 128.888 126.721 2.167 19766 4147 1 7 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.788 -0.327 19766 4148 1 7 . 1 1 42 42 LEU C C 42 174.934 174.934 175.678 -0.744 19766 4149 1 7 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.158 0.219 19766 4150 1 7 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.597 -0.058 19766 4151 1 7 . 1 1 42 42 LEU H H 42 8.344 8.344 8.840 -0.496 19766 4152 1 7 . 1 1 43 43 SER N N 43 122.818 122.818 122.305 0.513 19766 4153 1 7 . 1 1 43 43 SER HA H 43 3.876 3.876 4.527 -0.651 19766 4154 1 7 . 1 1 43 43 SER C C 43 173.869 173.869 173.460 0.409 19766 4155 1 7 . 1 1 43 43 SER CA C 43 59.688 59.688 58.291 1.397 19766 4156 1 7 . 1 1 43 43 SER CB C 43 62.673 62.673 62.919 -0.246 19766 4157 1 7 . 1 1 43 43 SER H H 43 8.362 8.362 8.888 -0.526 19766 4158 1 7 . 1 1 44 44 ARG N N 44 128.045 128.045 125.436 2.609 19766 4159 1 7 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.008 -0.179 19766 4160 1 7 . 1 1 44 44 ARG C C 44 175.031 175.031 175.060 -0.029 19766 4161 1 7 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.460 0.602 19766 4162 1 7 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.461 0.837 19766 4163 1 7 . 1 1 44 44 ARG H H 44 8.079 8.079 7.658 0.421 19766 4164 1 7 . 1 1 45 45 ASP N N 45 123.491 123.491 121.563 1.928 19766 4165 1 7 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.468 -0.231 19766 4166 1 7 . 1 1 45 45 ASP C C 45 177.487 177.487 176.714 0.773 19766 4167 1 7 . 1 1 45 45 ASP CA C 45 54.917 54.917 55.257 -0.340 19766 4168 1 7 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.649 0.962 19766 4169 1 7 . 1 1 45 45 ASP H H 45 8.663 8.663 8.606 0.057 19766 4170 1 7 . 1 1 46 46 GLU N N 46 125.446 125.446 125.587 -0.141 19766 4171 1 7 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.032 -0.125 19766 4172 1 7 . 1 1 46 46 GLU C C 46 175.655 175.655 176.573 -0.918 19766 4173 1 7 . 1 1 46 46 GLU CA C 46 58.873 58.873 57.984 0.889 19766 4174 1 7 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.836 -0.182 19766 4175 1 7 . 1 1 46 46 GLU H H 46 9.007 9.007 8.756 0.251 19766 4176 1 7 . 1 1 47 47 ASN N N 47 115.343 115.343 116.755 -1.412 19766 4177 1 7 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.714 0.170 19766 4178 1 7 . 1 1 47 47 ASN C C 47 176.665 176.665 176.752 -0.087 19766 4179 1 7 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.850 0.089 19766 4180 1 7 . 1 1 47 47 ASN CB C 47 40.230 40.230 40.106 0.124 19766 4181 1 7 . 1 1 47 47 ASN H H 47 8.947 8.947 8.397 0.550 19766 4182 1 7 . 1 1 48 48 THR N N 48 107.604 107.604 112.582 -4.978 19766 4183 1 7 . 1 1 48 48 THR HA H 48 4.468 4.468 4.521 -0.053 19766 4184 1 7 . 1 1 48 48 THR C C 48 176.465 176.465 175.205 1.260 19766 4185 1 7 . 1 1 48 48 THR CA C 48 61.555 61.555 61.885 -0.330 19766 4186 1 7 . 1 1 48 48 THR CB C 48 71.342 71.342 70.279 1.063 19766 4187 1 7 . 1 1 48 48 THR H H 48 8.450 8.450 8.670 -0.220 19766 4188 1 7 . 1 1 49 49 GLY N N 49 111.809 111.809 110.530 1.279 19766 4189 1 7 . 1 1 49 49 GLY C C 49 173.193 173.193 173.156 0.037 19766 4190 1 7 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.729 -0.006 19766 4191 1 7 . 1 1 49 49 GLY H H 49 8.632 8.632 7.567 1.065 19766 4192 1 7 . 1 1 50 50 GLU N N 50 120.089 120.089 117.807 2.282 19766 4193 1 7 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.377 -0.244 19766 4194 1 7 . 1 1 50 50 GLU C C 50 176.586 176.586 176.133 0.453 19766 4195 1 7 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.923 1.609 19766 4196 1 7 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.389 0.695 19766 4197 1 7 . 1 1 50 50 GLU H H 50 7.825 7.825 8.249 -0.424 19766 4198 1 7 . 1 1 51 51 SER N N 51 115.686 115.686 120.727 -5.041 19766 4199 1 7 . 1 1 51 51 SER HA H 51 4.273 4.273 4.251 0.022 19766 4200 1 7 . 1 1 51 51 SER C C 51 176.516 176.516 174.967 1.549 19766 4201 1 7 . 1 1 51 51 SER CA C 51 58.415 58.415 59.310 -0.895 19766 4202 1 7 . 1 1 51 51 SER CB C 51 64.668 64.668 63.240 1.428 19766 4203 1 7 . 1 1 51 51 SER H H 51 8.871 8.871 8.777 0.094 19766 4204 1 7 . 1 1 52 52 GLN N N 52 123.284 123.284 124.583 -1.299 19766 4205 1 7 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.281 0.210 19766 4206 1 7 . 1 1 52 52 GLN C C 52 177.471 177.471 176.521 0.950 19766 4207 1 7 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.263 -1.116 19766 4208 1 7 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.471 0.409 19766 4209 1 7 . 1 1 52 52 GLN H H 52 9.103 9.103 8.640 0.463 19766 4210 1 7 . 1 1 53 53 GLY N N 53 105.865 105.865 106.982 -1.117 19766 4211 1 7 . 1 1 53 53 GLY C C 53 172.010 172.010 172.912 -0.902 19766 4212 1 7 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.944 1.701 19766 4213 1 7 . 1 1 53 53 GLY H H 53 8.888 8.888 8.294 0.594 19766 4214 1 7 . 1 1 54 54 PHE N N 54 112.097 112.097 118.420 -6.323 19766 4215 1 7 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.290 0.056 19766 4216 1 7 . 1 1 54 54 PHE C C 54 171.548 171.548 173.229 -1.681 19766 4217 1 7 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.821 -0.150 19766 4218 1 7 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.633 -1.953 19766 4219 1 7 . 1 1 54 54 PHE H H 54 6.879 6.879 7.154 -0.275 19766 4220 1 7 . 1 1 55 55 ALA N N 55 122.332 122.332 122.265 0.067 19766 4221 1 7 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.950 0.173 19766 4222 1 7 . 1 1 55 55 ALA C C 55 173.074 173.074 174.542 -1.468 19766 4223 1 7 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.439 -0.910 19766 4224 1 7 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.878 2.861 19766 4225 1 7 . 1 1 55 55 ALA H H 55 9.051 9.051 8.911 0.140 19766 4226 1 7 . 1 1 56 56 TYR N N 56 115.022 115.022 116.842 -1.820 19766 4227 1 7 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.875 -0.201 19766 4228 1 7 . 1 1 56 56 TYR C C 56 175.292 175.292 174.314 0.978 19766 4229 1 7 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.391 -0.809 19766 4230 1 7 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.697 -0.350 19766 4231 1 7 . 1 1 56 56 TYR H H 56 9.007 9.007 9.020 -0.013 19766 4232 1 7 . 1 1 57 57 LEU N N 57 122.695 122.695 121.185 1.510 19766 4233 1 7 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.129 -0.370 19766 4234 1 7 . 1 1 57 57 LEU C C 57 172.173 172.173 174.039 -1.866 19766 4235 1 7 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.665 1.151 19766 4236 1 7 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.464 0.442 19766 4237 1 7 . 1 1 57 57 LEU H H 57 8.648 8.648 8.867 -0.219 19766 4238 1 7 . 1 1 58 58 LYS N N 58 125.954 125.954 121.417 4.537 19766 4239 1 7 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.717 -0.252 19766 4240 1 7 . 1 1 58 58 LYS C C 58 174.900 174.900 174.949 -0.049 19766 4241 1 7 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.703 -0.080 19766 4242 1 7 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.815 0.731 19766 4243 1 7 . 1 1 58 58 LYS H H 58 7.948 7.948 8.640 -0.692 19766 4244 1 7 . 1 1 59 59 TYR N N 59 126.396 126.396 125.970 0.426 19766 4245 1 7 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.749 0.351 19766 4246 1 7 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.620 -0.645 19766 4247 1 7 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.679 2.819 19766 4248 1 7 . 1 1 59 59 TYR H H 59 9.007 9.007 8.168 0.839 19766 4249 1 7 . 1 1 60 60 GLU N N 60 120.848 120.848 119.961 0.887 19766 4250 1 7 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.087 -0.214 19766 4251 1 7 . 1 1 60 60 GLU C C 60 175.081 175.081 175.698 -0.617 19766 4252 1 7 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.326 0.727 19766 4253 1 7 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.417 0.450 19766 4254 1 7 . 1 1 60 60 GLU H H 60 8.973 8.973 8.853 0.120 19766 4255 1 7 . 1 1 61 61 ASP N N 61 117.604 117.604 115.933 1.671 19766 4256 1 7 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.767 0.099 19766 4257 1 7 . 1 1 61 61 ASP C C 61 176.598 176.598 176.216 0.382 19766 4258 1 7 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.111 -1.999 19766 4259 1 7 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.286 0.138 19766 4260 1 7 . 1 1 61 61 ASP H H 61 8.017 8.017 7.625 0.392 19766 4261 1 7 . 1 1 62 62 GLN N N 62 126.427 126.427 124.592 1.835 19766 4262 1 7 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.056 0.214 19766 4263 1 7 . 1 1 62 62 GLN C C 62 178.514 178.514 177.572 0.942 19766 4264 1 7 . 1 1 62 62 GLN CA C 62 58.505 58.505 59.440 -0.935 19766 4265 1 7 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.072 -1.099 19766 4266 1 7 . 1 1 62 62 GLN H H 62 9.007 9.007 8.960 0.047 19766 4267 1 7 . 1 1 63 63 ARG N N 63 121.369 121.369 117.727 3.642 19766 4268 1 7 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.242 -0.522 19766 4269 1 7 . 1 1 63 63 ARG C C 63 178.566 178.566 178.599 -0.033 19766 4270 1 7 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.615 0.467 19766 4271 1 7 . 1 1 63 63 ARG H H 63 9.013 9.013 8.773 0.240 19766 4272 1 7 . 1 1 64 64 SER N N 64 115.216 115.216 115.268 -0.052 19766 4273 1 7 . 1 1 64 64 SER HA H 64 3.746 3.746 4.260 -0.514 19766 4274 1 7 . 1 1 64 64 SER C C 64 175.695 175.695 175.947 -0.252 19766 4275 1 7 . 1 1 64 64 SER CA C 64 63.651 63.651 60.465 3.186 19766 4276 1 7 . 1 1 64 64 SER H H 64 8.207 8.207 7.975 0.232 19766 4277 1 7 . 1 1 65 65 THR N N 65 111.402 111.402 120.062 -8.660 19766 4278 1 7 . 1 1 65 65 THR HA H 65 3.785 3.785 4.088 -0.303 19766 4279 1 7 . 1 1 65 65 THR C C 65 175.556 175.556 176.358 -0.802 19766 4280 1 7 . 1 1 65 65 THR CA C 65 66.178 66.178 67.618 -1.440 19766 4281 1 7 . 1 1 65 65 THR CB C 65 68.414 68.414 68.819 -0.405 19766 4282 1 7 . 1 1 65 65 THR H H 65 7.640 7.640 8.027 -0.387 19766 4283 1 7 . 1 1 66 66 ILE N N 66 122.905 122.905 122.015 0.890 19766 4284 1 7 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.841 -0.139 19766 4285 1 7 . 1 1 66 66 ILE C C 66 177.292 177.292 177.828 -0.536 19766 4286 1 7 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.088 -0.834 19766 4287 1 7 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.777 0.622 19766 4288 1 7 . 1 1 66 66 ILE H H 66 6.702 6.702 7.997 -1.295 19766 4289 1 7 . 1 1 67 67 LEU N N 67 114.425 114.425 121.164 -6.739 19766 4290 1 7 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.875 -0.145 19766 4291 1 7 . 1 1 67 67 LEU C C 67 179.641 179.641 178.392 1.249 19766 4292 1 7 . 1 1 67 67 LEU CA C 67 57.587 57.587 58.100 -0.513 19766 4293 1 7 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.418 0.264 19766 4294 1 7 . 1 1 67 67 LEU H H 67 6.975 6.975 8.141 -1.166 19766 4295 1 7 . 1 1 68 68 ALA N N 68 120.639 120.639 120.761 -0.122 19766 4296 1 7 . 1 1 68 68 ALA HA H 68 3.435 3.435 4.235 -0.800 19766 4297 1 7 . 1 1 68 68 ALA C C 68 179.087 179.087 180.189 -1.102 19766 4298 1 7 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.924 0.812 19766 4299 1 7 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.455 0.558 19766 4300 1 7 . 1 1 68 68 ALA H H 68 8.225 8.225 7.984 0.241 19766 4301 1 7 . 1 1 69 69 VAL N N 69 118.866 118.866 117.101 1.765 19766 4302 1 7 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.722 -0.483 19766 4303 1 7 . 1 1 69 69 VAL C C 69 178.798 178.798 177.240 1.558 19766 4304 1 7 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.656 0.369 19766 4305 1 7 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.093 0.744 19766 4306 1 7 . 1 1 69 69 VAL H H 69 8.162 8.162 7.832 0.330 19766 4307 1 7 . 1 1 70 70 ASP N N 70 117.230 117.230 115.668 1.562 19766 4308 1 7 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.611 -0.557 19766 4309 1 7 . 1 1 70 70 ASP C C 70 178.297 178.297 176.477 1.820 19766 4310 1 7 . 1 1 70 70 ASP CA C 70 57.269 57.269 55.120 2.150 19766 4311 1 7 . 1 1 70 70 ASP CB C 70 39.622 39.622 42.088 -2.466 19766 4312 1 7 . 1 1 70 70 ASP H H 70 8.262 8.262 7.855 0.407 19766 4313 1 7 . 1 1 71 71 ASN N N 71 111.214 111.214 117.872 -6.658 19766 4314 1 7 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.514 0.349 19766 4315 1 7 . 1 1 71 71 ASN C C 71 176.614 176.614 176.971 -0.357 19766 4316 1 7 . 1 1 71 71 ASN CA C 71 55.601 55.601 55.246 0.355 19766 4317 1 7 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.218 2.381 19766 4318 1 7 . 1 1 71 71 ASN H H 71 7.541 7.541 7.911 -0.370 19766 4319 1 7 . 1 1 72 72 LEU N N 72 116.127 116.127 118.615 -2.488 19766 4320 1 7 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.179 0.470 19766 4321 1 7 . 1 1 72 72 LEU C C 72 177.465 177.465 176.138 1.327 19766 4322 1 7 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.666 -0.315 19766 4323 1 7 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.904 0.644 19766 4324 1 7 . 1 1 72 72 LEU H H 72 8.323 8.323 7.453 0.870 19766 4325 1 7 . 1 1 73 73 ASN N N 73 118.792 118.792 117.872 0.920 19766 4326 1 7 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.646 -0.235 19766 4327 1 7 . 1 1 73 73 ASN C C 73 177.085 177.085 176.385 0.700 19766 4328 1 7 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.981 1.573 19766 4329 1 7 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.527 0.931 19766 4330 1 7 . 1 1 73 73 ASN H H 73 6.965 6.965 7.564 -0.599 19766 4331 1 7 . 1 1 74 74 GLY N N 74 115.779 115.779 113.767 2.012 19766 4332 1 7 . 1 1 74 74 GLY C C 74 172.848 172.848 173.768 -0.920 19766 4333 1 7 . 1 1 74 74 GLY CA C 74 45.758 45.758 45.003 0.755 19766 4334 1 7 . 1 1 74 74 GLY H H 74 9.389 9.389 8.996 0.393 19766 4335 1 7 . 1 1 75 75 PHE N N 75 123.194 123.194 123.083 0.111 19766 4336 1 7 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.405 -0.118 19766 4337 1 7 . 1 1 75 75 PHE C C 75 174.778 174.778 174.199 0.579 19766 4338 1 7 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.621 1.252 19766 4339 1 7 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.206 1.396 19766 4340 1 7 . 1 1 75 75 PHE H H 75 8.133 8.133 8.055 0.078 19766 4341 1 7 . 1 1 76 76 LYS N N 76 127.364 127.364 128.135 -0.771 19766 4342 1 7 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.458 0.213 19766 4343 1 7 . 1 1 76 76 LYS C C 76 175.286 175.286 175.628 -0.342 19766 4344 1 7 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.808 0.444 19766 4345 1 7 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.186 1.015 19766 4346 1 7 . 1 1 76 76 LYS H H 76 7.596 7.596 8.169 -0.573 19766 4347 1 7 . 1 1 77 77 ILE N N 77 120.094 120.094 127.909 -7.815 19766 4348 1 7 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.234 0.124 19766 4349 1 7 . 1 1 77 77 ILE C C 77 177.519 177.519 175.745 1.774 19766 4350 1 7 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.000 -0.497 19766 4351 1 7 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.372 1.264 19766 4352 1 7 . 1 1 77 77 ILE H H 77 8.004 8.004 8.996 -0.992 19766 4353 1 7 . 1 1 78 78 GLY N N 78 119.932 119.932 116.182 3.750 19766 4354 1 7 . 1 1 78 78 GLY C C 78 175.944 175.944 175.356 0.588 19766 4355 1 7 . 1 1 78 78 GLY CA C 78 47.219 47.219 44.879 2.340 19766 4356 1 7 . 1 1 78 78 GLY H H 78 10.183 10.183 8.968 1.215 19766 4357 1 7 . 1 1 79 79 GLY N N 79 104.505 104.505 104.914 -0.409 19766 4358 1 7 . 1 1 79 79 GLY C C 79 173.347 173.347 173.767 -0.420 19766 4359 1 7 . 1 1 79 79 GLY CA C 79 45.092 45.092 45.032 0.060 19766 4360 1 7 . 1 1 79 79 GLY H H 79 8.892 8.892 8.485 0.407 19766 4361 1 7 . 1 1 80 80 ARG N N 80 119.144 119.144 118.728 0.416 19766 4362 1 7 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.666 -0.000 19766 4363 1 7 . 1 1 80 80 ARG C C 80 174.693 174.693 173.917 0.776 19766 4364 1 7 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.222 0.456 19766 4365 1 7 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.789 0.618 19766 4366 1 7 . 1 1 80 80 ARG H H 80 7.281 7.281 7.298 -0.017 19766 4367 1 7 . 1 1 81 81 ALA N N 81 126.229 126.229 126.426 -0.197 19766 4368 1 7 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.021 -0.820 19766 4369 1 7 . 1 1 81 81 ALA C C 81 176.967 176.967 177.632 -0.665 19766 4370 1 7 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.249 0.880 19766 4371 1 7 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.718 -0.518 19766 4372 1 7 . 1 1 81 81 ALA H H 81 8.673 8.673 8.535 0.138 19766 4373 1 7 . 1 1 82 82 LEU N N 82 125.471 125.471 122.022 3.449 19766 4374 1 7 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.728 -0.304 19766 4375 1 7 . 1 1 82 82 LEU C C 82 177.436 177.436 176.085 1.351 19766 4376 1 7 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.680 1.470 19766 4377 1 7 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.782 0.491 19766 4378 1 7 . 1 1 82 82 LEU H H 82 8.702 8.702 8.267 0.435 19766 4379 1 7 . 1 1 83 83 LYS N N 83 123.609 123.609 122.717 0.892 19766 4380 1 7 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.093 -0.088 19766 4381 1 7 . 1 1 83 83 LYS C C 83 174.759 174.759 175.345 -0.586 19766 4382 1 7 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.428 0.357 19766 4383 1 7 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.461 -0.015 19766 4384 1 7 . 1 1 83 83 LYS H H 83 7.853 7.853 8.869 -1.016 19766 4385 1 7 . 1 1 84 84 ILE N N 84 125.547 125.547 128.514 -2.967 19766 4386 1 7 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.641 0.058 19766 4387 1 7 . 1 1 84 84 ILE C C 84 174.989 174.989 175.217 -0.228 19766 4388 1 7 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.161 -1.742 19766 4389 1 7 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.034 -0.667 19766 4390 1 7 . 1 1 84 84 ILE H H 84 8.719 8.719 8.923 -0.204 19766 4391 1 7 . 1 1 85 85 ASP N N 85 124.650 124.650 124.803 -0.153 19766 4392 1 7 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.094 -0.090 19766 4393 1 7 . 1 1 85 85 ASP C C 85 175.302 175.302 174.535 0.767 19766 4394 1 7 . 1 1 85 85 ASP CA C 85 52.481 52.481 51.644 0.837 19766 4395 1 7 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.328 1.141 19766 4396 1 7 . 1 1 85 85 ASP H H 85 8.826 8.826 8.967 -0.141 19766 4397 1 7 . 1 1 86 86 HIS N N 86 121.936 121.936 117.914 4.022 19766 4398 1 7 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.536 -0.833 19766 4399 1 7 . 1 1 86 86 HIS C C 86 175.216 175.216 174.920 0.296 19766 4400 1 7 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.312 1.632 19766 4401 1 7 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.924 -0.444 19766 4402 1 7 . 1 1 86 86 HIS H H 86 8.909 8.909 8.802 0.107 19766 4403 1 7 . 1 1 87 87 THR N N 87 116.612 116.612 115.449 1.163 19766 4404 1 7 . 1 1 87 87 THR HA H 87 4.688 4.688 5.282 -0.594 19766 4405 1 7 . 1 1 87 87 THR CA C 87 61.030 61.030 60.634 0.396 19766 4406 1 7 . 1 1 87 87 THR CB C 87 69.903 69.903 71.780 -1.877 19766 4407 1 7 . 1 1 87 87 THR H H 87 8.521 8.521 9.153 -0.632 19766 4408 1 7 . 1 1 88 88 PHE N N 88 123.233 123.233 124.151 -0.918 19766 4409 1 7 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.674 0.620 19766 4410 1 7 . 1 1 88 88 PHE C C 88 176.452 176.452 173.022 3.430 19766 4411 1 7 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.236 -1.303 19766 4412 1 7 . 1 1 88 88 PHE CB C 88 41.113 41.113 42.880 -1.767 19766 4413 1 7 . 1 1 88 88 PHE H H 88 8.145 8.145 8.096 0.049 19766 4414 1 7 . 1 1 89 89 TYR N N 89 122.872 122.872 122.835 0.037 19766 4415 1 7 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.858 -0.784 19766 4416 1 7 . 1 1 89 89 TYR C C 89 173.089 173.089 173.605 -0.516 19766 4417 1 7 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.951 1.578 19766 4418 1 7 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.999 -0.191 19766 4419 1 7 . 1 1 89 89 TYR H H 89 8.242 8.242 7.550 0.692 19766 4420 1 7 . 1 1 90 90 ARG N N 90 128.867 128.867 122.314 6.553 19766 4421 1 7 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.220 0.209 19766 4422 1 7 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.254 -1.686 19766 4423 1 7 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.873 1.121 19766 4424 1 7 . 1 1 90 90 ARG H H 90 7.018 7.018 8.731 -1.713 19766 4425 1 7 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.048 0.142 19766 4426 1 7 . 1 1 91 91 PRO C C 91 176.284 176.284 176.074 0.210 19766 4427 1 7 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.369 0.120 19766 4428 1 7 . 1 1 91 91 PRO CB C 91 33.047 33.047 32.088 0.959 19766 4429 1 7 . 1 1 92 92 LYS N N 92 119.987 119.987 123.121 -3.134 19766 4430 1 7 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.498 0.184 19766 4431 1 7 . 1 1 92 92 LYS CA C 92 54.687 54.687 55.781 -1.094 19766 4432 1 7 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.165 1.894 19766 4433 1 7 . 1 1 92 92 LYS H H 92 8.672 8.672 8.439 0.233 19766 4434 1 7 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.227 -0.053 19766 4435 1 7 . 1 1 93 93 ARG C C 93 178.848 178.848 177.584 1.264 19766 4436 1 7 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.857 0.335 19766 4437 1 7 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.830 -0.034 19766 4438 1 7 . 1 1 94 94 SER N N 94 112.252 112.252 116.440 -4.188 19766 4439 1 7 . 1 1 94 94 SER HA H 94 4.266 4.266 4.332 -0.066 19766 4440 1 7 . 1 1 94 94 SER C C 94 175.827 175.827 175.114 0.713 19766 4441 1 7 . 1 1 94 94 SER CA C 94 60.087 60.087 60.505 -0.418 19766 4442 1 7 . 1 1 94 94 SER CB C 94 62.266 62.266 62.625 -0.359 19766 4443 1 7 . 1 1 94 94 SER H H 94 8.353 8.353 8.324 0.029 19766 4444 1 7 . 1 1 95 95 LEU N N 95 122.261 122.261 119.260 3.001 19766 4445 1 7 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.584 0.081 19766 4446 1 7 . 1 1 95 95 LEU C C 95 175.444 175.444 176.640 -1.196 19766 4447 1 7 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.404 0.700 19766 4448 1 7 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.585 0.327 19766 4449 1 7 . 1 1 95 95 LEU H H 95 7.229 7.229 7.455 -0.226 19766 4450 1 7 . 1 1 96 96 GLN N N 96 118.873 118.873 120.736 -1.863 19766 4451 1 7 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.059 0.034 19766 4452 1 7 . 1 1 96 96 GLN C C 96 177.668 177.668 177.679 -0.011 19766 4453 1 7 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.192 1.518 19766 4454 1 7 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.450 0.531 19766 4455 1 7 . 1 1 96 96 GLN H H 96 7.390 7.390 7.760 -0.369 19766 4456 1 7 . 1 1 97 97 LYS N N 97 116.416 116.416 118.956 -2.540 19766 4457 1 7 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.081 0.036 19766 4458 1 7 . 1 1 97 97 LYS C C 97 179.237 179.237 178.977 0.260 19766 4459 1 7 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.156 1.237 19766 4460 1 7 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.632 -0.116 19766 4461 1 7 . 1 1 97 97 LYS H H 97 8.595 8.595 8.325 0.270 19766 4462 1 7 . 1 1 98 98 TYR N N 98 123.922 123.922 122.086 1.836 19766 4463 1 7 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.136 0.001 19766 4464 1 7 . 1 1 98 98 TYR C C 98 177.309 177.309 177.342 -0.033 19766 4465 1 7 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.566 0.663 19766 4466 1 7 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.288 -0.998 19766 4467 1 7 . 1 1 98 98 TYR H H 98 7.558 7.558 7.831 -0.273 19766 4468 1 7 . 1 1 99 99 TYR N N 99 118.047 118.047 117.602 0.445 19766 4469 1 7 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.978 1.130 19766 4470 1 7 . 1 1 99 99 TYR CA C 99 57.898 57.898 59.413 -1.515 19766 4471 1 7 . 1 1 99 99 TYR CB C 99 37.222 37.222 37.653 -0.431 19766 4472 1 7 . 1 1 99 99 TYR H H 99 8.624 8.624 7.632 0.992 19766 4473 1 7 . 1 1 100 100 GLU N N 100 118.804 118.804 118.963 -0.159 19766 4474 1 7 . 1 1 100 100 GLU HA H 100 4.066 4.066 4.033 0.033 19766 4475 1 7 . 1 1 100 100 GLU C C 100 178.595 178.595 178.254 0.341 19766 4476 1 7 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.037 0.448 19766 4477 1 7 . 1 1 100 100 GLU CB C 100 29.795 29.795 28.629 1.166 19766 4478 1 7 . 1 1 100 100 GLU H H 100 8.348 8.348 8.441 -0.093 19766 4479 1 7 . 1 1 101 101 ALA N N 101 123.315 123.315 121.729 1.586 19766 4480 1 7 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.026 0.269 19766 4481 1 7 . 1 1 101 101 ALA C C 101 181.438 181.438 179.563 1.875 19766 4482 1 7 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.854 0.004 19766 4483 1 7 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.481 0.196 19766 4484 1 7 . 1 1 101 101 ALA H H 101 7.963 7.963 7.613 0.350 19766 4485 1 7 . 1 1 102 102 VAL N N 102 120.092 120.092 117.961 2.131 19766 4486 1 7 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.623 0.154 19766 4487 1 7 . 1 1 102 102 VAL C C 102 176.958 176.958 178.077 -1.119 19766 4488 1 7 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.726 1.679 19766 4489 1 7 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.163 0.673 19766 4490 1 7 . 1 1 102 102 VAL H H 102 8.321 8.321 7.628 0.693 19766 4491 1 7 . 1 1 103 103 LYS N N 103 120.226 120.226 118.705 1.521 19766 4492 1 7 . 1 1 103 103 LYS HA H 103 3.926 3.926 3.991 -0.065 19766 4493 1 7 . 1 1 103 103 LYS C C 103 178.354 178.354 178.403 -0.049 19766 4494 1 7 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.248 0.435 19766 4495 1 7 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.827 0.349 19766 4496 1 7 . 1 1 103 103 LYS H H 103 8.266 8.266 7.680 0.586 19766 4497 1 7 . 1 1 104 104 GLU N N 104 116.521 116.521 120.475 -3.954 19766 4498 1 7 . 1 1 104 104 GLU HA H 104 3.961 3.961 3.950 0.011 19766 4499 1 7 . 1 1 104 104 GLU C C 104 178.628 178.628 179.138 -0.510 19766 4500 1 7 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.583 -0.473 19766 4501 1 7 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.898 0.827 19766 4502 1 7 . 1 1 104 104 GLU H H 104 8.027 8.027 8.124 -0.097 19766 4503 1 7 . 1 1 105 105 GLU N N 105 118.569 118.569 117.918 0.651 19766 4504 1 7 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.117 -0.217 19766 4505 1 7 . 1 1 105 105 GLU C C 105 178.399 178.399 179.060 -0.661 19766 4506 1 7 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.494 -0.229 19766 4507 1 7 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.218 0.555 19766 4508 1 7 . 1 1 105 105 GLU H H 105 7.225 7.225 7.651 -0.426 19766 4509 1 7 . 1 1 106 106 LEU N N 106 116.938 116.938 119.696 -2.758 19766 4510 1 7 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.002 0.031 19766 4511 1 7 . 1 1 106 106 LEU C C 106 179.770 179.770 178.985 0.785 19766 4512 1 7 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.543 -0.618 19766 4513 1 7 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.695 -1.410 19766 4514 1 7 . 1 1 106 106 LEU H H 106 8.273 8.273 7.120 1.153 19766 4515 1 7 . 1 1 107 107 ASP N N 107 119.855 119.855 119.378 0.477 19766 4516 1 7 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.289 0.259 19766 4517 1 7 . 1 1 107 107 ASP C C 107 177.891 177.891 178.583 -0.692 19766 4518 1 7 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.593 -1.660 19766 4519 1 7 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.945 -0.231 19766 4520 1 7 . 1 1 107 107 ASP H H 107 8.286 8.286 8.805 -0.519 19766 4521 1 7 . 1 1 108 108 ARG N N 108 118.853 118.853 117.266 1.587 19766 4522 1 7 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.111 -0.030 19766 4523 1 7 . 1 1 108 108 ARG C C 108 177.325 177.325 178.936 -1.611 19766 4524 1 7 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.568 0.441 19766 4525 1 7 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.103 1.301 19766 4526 1 7 . 1 1 108 108 ARG H H 108 7.406 7.406 7.614 -0.208 19766 4527 1 7 . 1 1 109 109 ASP N N 109 119.636 119.636 119.992 -0.356 19766 4528 1 7 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.834 -0.299 19766 4529 1 7 . 1 1 109 109 ASP C C 109 176.758 176.758 177.803 -1.045 19766 4530 1 7 . 1 1 109 109 ASP CA C 109 55.238 55.238 56.470 -1.232 19766 4531 1 7 . 1 1 109 109 ASP CB C 109 40.745 40.745 40.413 0.332 19766 4532 1 7 . 1 1 109 109 ASP H H 109 7.853 7.853 7.464 0.389 19766 4533 1 7 . 1 1 110 110 ILE N N 110 119.905 119.905 117.837 2.068 19766 4534 1 7 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.932 0.172 19766 4535 1 7 . 1 1 110 110 ILE C C 110 176.642 176.642 176.768 -0.126 19766 4536 1 7 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.098 -1.322 19766 4537 1 7 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.692 -0.238 19766 4538 1 7 . 1 1 110 110 ILE H H 110 7.623 7.623 7.533 0.090 19766 4539 1 7 . 1 1 111 111 VAL N N 111 122.938 122.938 119.300 3.638 19766 4540 1 7 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.982 0.096 19766 4541 1 7 . 1 1 111 111 VAL C C 111 176.668 176.668 175.788 0.880 19766 4542 1 7 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.276 0.761 19766 4543 1 7 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.939 -0.457 19766 4544 1 7 . 1 1 111 111 VAL H H 111 8.043 8.043 7.672 0.371 19766 4545 1 7 . 1 1 112 112 SER N N 112 118.345 118.345 116.543 1.802 19766 4546 1 7 . 1 1 112 112 SER HA H 112 4.417 4.417 4.330 0.087 19766 4547 1 7 . 1 1 112 112 SER C C 112 174.925 174.925 174.639 0.286 19766 4548 1 7 . 1 1 112 112 SER CA C 112 58.848 58.848 60.489 -1.641 19766 4549 1 7 . 1 1 112 112 SER CB C 112 63.551 63.551 63.006 0.545 19766 4550 1 7 . 1 1 112 112 SER H H 112 8.210 8.210 8.329 -0.119 19766 4551 1 7 . 1 1 113 113 LYS N N 113 122.729 122.729 121.395 1.334 19766 4552 1 7 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.388 -0.070 19766 4553 1 7 . 1 1 113 113 LYS CA C 113 56.596 56.596 54.687 1.909 19766 4554 1 7 . 1 1 113 113 LYS CB C 113 32.846 32.846 31.899 0.947 19766 4555 1 7 . 1 1 113 113 LYS H H 113 8.295 8.295 7.861 0.434 19766 4556 1 7 . 1 1 114 114 ASN N N 114 119.243 119.243 122.868 -3.625 19766 4557 1 7 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.824 -0.146 19766 4558 1 7 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.411 0.072 19766 4559 1 7 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.478 -0.620 19766 4560 1 7 . 1 1 114 114 ASN H H 114 8.372 8.372 8.007 0.365 19766 4561 1 7 . 1 1 115 115 ASN N N 115 119.155 119.155 122.164 -3.009 19766 4562 1 7 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.785 -0.103 19766 4563 1 7 . 1 1 115 115 ASN C C 115 174.877 174.877 173.935 0.942 19766 4564 1 7 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.168 0.315 19766 4565 1 7 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.345 -0.487 19766 4566 1 7 . 1 1 115 115 ASN H H 115 8.372 8.372 8.607 -0.235 19766 4567 1 7 . 1 1 116 116 ALA N N 116 123.743 123.743 126.200 -2.457 19766 4568 1 7 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.261 0.068 19766 4569 1 7 . 1 1 116 116 ALA C C 116 177.574 177.574 177.294 0.280 19766 4570 1 7 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.675 0.018 19766 4571 1 7 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.078 0.269 19766 4572 1 7 . 1 1 116 116 ALA H H 116 8.116 8.116 7.945 0.171 19766 4573 1 7 . 1 1 117 117 GLU N N 117 120.161 120.161 119.216 0.945 19766 4574 1 7 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.195 0.078 19766 4575 1 7 . 1 1 117 117 GLU C C 117 175.557 175.557 175.183 0.374 19766 4576 1 7 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.989 -0.330 19766 4577 1 7 . 1 1 117 117 GLU CB C 117 30.154 30.154 28.500 1.654 19766 4578 1 7 . 1 1 117 117 GLU H H 117 8.220 8.220 8.334 -0.114 19766 4579 1 8 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.578 -0.238 19766 4580 1 8 . 1 1 2 2 ALA C C 2 177.830 177.830 176.055 1.775 19766 4581 1 8 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.484 1.209 19766 4582 1 8 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.117 1.242 19766 4583 1 8 . 1 1 3 3 MET N N 3 119.580 119.580 123.815 -4.235 19766 4584 1 8 . 1 1 3 3 MET HA H 3 4.482 4.482 4.578 -0.096 19766 4585 1 8 . 1 1 3 3 MET C C 3 176.714 176.714 175.630 1.084 19766 4586 1 8 . 1 1 3 3 MET CA C 3 55.590 55.590 54.235 1.355 19766 4587 1 8 . 1 1 3 3 MET CB C 3 32.922 32.922 34.966 -2.044 19766 4588 1 8 . 1 1 3 3 MET H H 3 8.451 8.451 7.665 0.786 19766 4589 1 8 . 1 1 4 4 GLY N N 4 109.951 109.951 111.997 -2.046 19766 4590 1 8 . 1 1 4 4 GLY C C 4 174.082 174.082 174.037 0.045 19766 4591 1 8 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.659 0.807 19766 4592 1 8 . 1 1 4 4 GLY H H 4 8.400 8.400 7.584 0.816 19766 4593 1 8 . 1 1 5 5 ASN N N 5 118.667 118.667 120.734 -2.067 19766 4594 1 8 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.638 0.046 19766 4595 1 8 . 1 1 5 5 ASN C C 5 175.489 175.489 175.342 0.147 19766 4596 1 8 . 1 1 5 5 ASN CA C 5 53.501 53.501 53.124 0.377 19766 4597 1 8 . 1 1 5 5 ASN CB C 5 38.966 38.966 39.112 -0.146 19766 4598 1 8 . 1 1 5 5 ASN H H 5 8.378 8.378 8.456 -0.078 19766 4599 1 8 . 1 1 6 6 GLU N N 6 120.908 120.908 119.780 1.128 19766 4600 1 8 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.026 0.140 19766 4601 1 8 . 1 1 6 6 GLU C C 6 176.336 176.336 176.206 0.130 19766 4602 1 8 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.770 -0.501 19766 4603 1 8 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.414 0.322 19766 4604 1 8 . 1 1 6 6 GLU H H 6 8.620 8.620 8.036 0.584 19766 4605 1 8 . 1 1 7 7 TYR N N 7 120.339 120.339 118.090 2.249 19766 4606 1 8 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.634 -0.134 19766 4607 1 8 . 1 1 7 7 TYR C C 7 175.808 175.808 176.086 -0.278 19766 4608 1 8 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.615 1.536 19766 4609 1 8 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.276 -0.083 19766 4610 1 8 . 1 1 7 7 TYR H H 7 8.045 8.045 7.854 0.191 19766 4611 1 8 . 1 1 8 8 LYS N N 8 121.700 121.700 124.190 -2.490 19766 4612 1 8 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.032 0.118 19766 4613 1 8 . 1 1 8 8 LYS C C 8 175.868 175.868 176.741 -0.873 19766 4614 1 8 . 1 1 8 8 LYS CA C 8 56.562 56.562 58.012 -1.450 19766 4615 1 8 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.571 0.587 19766 4616 1 8 . 1 1 8 8 LYS H H 8 7.829 7.829 8.628 -0.799 19766 4617 1 8 . 1 1 9 9 ASP N N 9 119.811 119.811 115.657 4.154 19766 4618 1 8 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.634 0.004 19766 4619 1 8 . 1 1 9 9 ASP C C 9 175.972 175.972 174.963 1.009 19766 4620 1 8 . 1 1 9 9 ASP CA C 9 54.624 54.624 53.184 1.440 19766 4621 1 8 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.879 0.660 19766 4622 1 8 . 1 1 9 9 ASP H H 9 8.137 8.137 8.131 0.006 19766 4623 1 8 . 1 1 10 10 ASN N N 10 119.794 119.794 117.449 2.345 19766 4624 1 8 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.894 0.078 19766 4625 1 8 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.167 -0.322 19766 4626 1 8 . 1 1 10 10 ASN CB C 10 38.759 38.759 39.266 -0.507 19766 4627 1 8 . 1 1 10 10 ASN H H 10 8.292 8.292 7.597 0.695 19766 4628 1 8 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.656 -0.053 19766 4629 1 8 . 1 1 11 11 ALA CA C 11 53.249 53.249 51.737 1.512 19766 4630 1 8 . 1 1 11 11 ALA CB C 11 19.188 19.188 20.251 -1.063 19766 4631 1 8 . 1 1 12 12 TYR N N 12 118.889 118.889 120.136 -1.247 19766 4632 1 8 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.348 -0.204 19766 4633 1 8 . 1 1 12 12 TYR C C 12 177.773 177.773 175.357 2.416 19766 4634 1 8 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.495 -1.312 19766 4635 1 8 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.446 2.136 19766 4636 1 8 . 1 1 12 12 TYR H H 12 8.057 8.057 7.790 0.267 19766 4637 1 8 . 1 1 13 13 ILE N N 13 112.765 112.765 117.572 -4.807 19766 4638 1 8 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.122 0.032 19766 4639 1 8 . 1 1 13 13 ILE C C 13 174.312 174.312 174.349 -0.037 19766 4640 1 8 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.105 0.931 19766 4641 1 8 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.253 -1.357 19766 4642 1 8 . 1 1 13 13 ILE H H 13 9.310 9.310 9.383 -0.073 19766 4643 1 8 . 1 1 14 14 TYR N N 14 124.417 124.417 127.255 -2.838 19766 4644 1 8 . 1 1 14 14 TYR HA H 14 4.707 4.707 5.075 -0.368 19766 4645 1 8 . 1 1 14 14 TYR C C 14 173.058 173.058 174.031 -0.973 19766 4646 1 8 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.326 -1.114 19766 4647 1 8 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.963 0.256 19766 4648 1 8 . 1 1 14 14 TYR H H 14 9.252 9.252 9.124 0.128 19766 4649 1 8 . 1 1 15 15 ILE N N 15 127.660 127.660 127.940 -0.280 19766 4650 1 8 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.106 -0.841 19766 4651 1 8 . 1 1 15 15 ILE C C 15 173.705 173.705 174.661 -0.956 19766 4652 1 8 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.490 -0.004 19766 4653 1 8 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.897 0.105 19766 4654 1 8 . 1 1 15 15 ILE H H 15 8.558 8.558 8.651 -0.093 19766 4655 1 8 . 1 1 16 16 GLY N N 16 112.792 112.792 112.306 0.486 19766 4656 1 8 . 1 1 16 16 GLY C C 16 173.110 173.110 172.948 0.162 19766 4657 1 8 . 1 1 16 16 GLY CA C 16 43.249 43.249 43.158 0.091 19766 4658 1 8 . 1 1 16 16 GLY H H 16 9.516 9.516 8.796 0.720 19766 4659 1 8 . 1 1 17 17 ASN N N 17 115.139 115.139 115.971 -0.832 19766 4660 1 8 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.231 0.165 19766 4661 1 8 . 1 1 17 17 ASN C C 17 174.854 174.854 173.749 1.105 19766 4662 1 8 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.881 -0.645 19766 4663 1 8 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.742 0.190 19766 4664 1 8 . 1 1 17 17 ASN H H 17 8.511 8.511 8.427 0.084 19766 4665 1 8 . 1 1 18 18 LEU N N 18 114.660 114.660 118.585 -3.925 19766 4666 1 8 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.421 -0.385 19766 4667 1 8 . 1 1 18 18 LEU C C 18 178.161 178.161 176.203 1.958 19766 4668 1 8 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.963 -0.079 19766 4669 1 8 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.718 -1.156 19766 4670 1 8 . 1 1 18 18 LEU H H 18 7.839 7.839 7.271 0.568 19766 4671 1 8 . 1 1 19 19 ASN N N 19 122.707 122.707 120.511 2.196 19766 4672 1 8 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.530 -0.167 19766 4673 1 8 . 1 1 19 19 ASN C C 19 178.037 178.037 176.019 2.018 19766 4674 1 8 . 1 1 19 19 ASN CA C 19 54.604 54.604 54.169 0.435 19766 4675 1 8 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.373 -0.561 19766 4676 1 8 . 1 1 19 19 ASN H H 19 8.779 8.779 8.621 0.158 19766 4677 1 8 . 1 1 20 20 ARG N N 20 128.724 128.724 119.332 9.392 19766 4678 1 8 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.065 -0.212 19766 4679 1 8 . 1 1 20 20 ARG C C 20 175.612 175.612 176.711 -1.099 19766 4680 1 8 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.591 0.183 19766 4681 1 8 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.219 -0.535 19766 4682 1 8 . 1 1 20 20 ARG H H 20 8.954 8.954 8.667 0.287 19766 4683 1 8 . 1 1 21 21 GLU N N 21 117.609 117.609 116.097 1.512 19766 4684 1 8 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.182 0.091 19766 4685 1 8 . 1 1 21 21 GLU C C 21 177.285 177.285 176.222 1.063 19766 4686 1 8 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.360 0.422 19766 4687 1 8 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.720 1.778 19766 4688 1 8 . 1 1 21 21 GLU H H 21 9.092 9.092 8.441 0.651 19766 4689 1 8 . 1 1 22 22 LEU N N 22 116.169 116.169 123.187 -7.018 19766 4690 1 8 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.516 0.040 19766 4691 1 8 . 1 1 22 22 LEU C C 22 178.328 178.328 176.093 2.235 19766 4692 1 8 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.400 1.256 19766 4693 1 8 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.761 0.465 19766 4694 1 8 . 1 1 22 22 LEU H H 22 7.208 7.208 7.166 0.042 19766 4695 1 8 . 1 1 23 23 THR N N 23 113.733 113.733 118.896 -5.163 19766 4696 1 8 . 1 1 23 23 THR HA H 23 4.349 4.349 4.584 -0.235 19766 4697 1 8 . 1 1 23 23 THR C C 23 175.225 175.225 175.284 -0.059 19766 4698 1 8 . 1 1 23 23 THR CA C 23 59.960 59.960 59.503 0.457 19766 4699 1 8 . 1 1 23 23 THR CB C 23 72.172 72.172 70.822 1.350 19766 4700 1 8 . 1 1 23 23 THR H H 23 8.732 8.732 8.334 0.398 19766 4701 1 8 . 1 1 24 24 GLU N N 24 119.838 119.838 120.162 -0.324 19766 4702 1 8 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.922 -0.265 19766 4703 1 8 . 1 1 24 24 GLU C C 24 178.983 178.983 179.000 -0.017 19766 4704 1 8 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.625 2.946 19766 4705 1 8 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.336 -1.990 19766 4706 1 8 . 1 1 24 24 GLU H H 24 9.761 9.761 8.789 0.972 19766 4707 1 8 . 1 1 25 25 GLY N N 25 104.462 104.462 105.284 -0.822 19766 4708 1 8 . 1 1 25 25 GLY C C 25 175.139 175.139 175.450 -0.311 19766 4709 1 8 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.497 1.108 19766 4710 1 8 . 1 1 25 25 GLY H H 25 8.486 8.486 8.619 -0.133 19766 4711 1 8 . 1 1 26 26 ASP N N 26 123.296 123.296 122.874 0.422 19766 4712 1 8 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.494 0.076 19766 4713 1 8 . 1 1 26 26 ASP C C 26 178.135 178.135 178.372 -0.237 19766 4714 1 8 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.112 0.700 19766 4715 1 8 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.048 0.837 19766 4716 1 8 . 1 1 26 26 ASP H H 26 7.960 7.960 7.507 0.453 19766 4717 1 8 . 1 1 27 27 ILE N N 27 118.853 118.853 120.710 -1.857 19766 4718 1 8 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.742 -0.135 19766 4719 1 8 . 1 1 27 27 ILE C C 27 178.424 178.424 178.216 0.208 19766 4720 1 8 . 1 1 27 27 ILE CA C 27 65.741 65.741 64.926 0.815 19766 4721 1 8 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.836 -0.124 19766 4722 1 8 . 1 1 27 27 ILE H H 27 8.159 8.159 7.821 0.338 19766 4723 1 8 . 1 1 28 28 LEU N N 28 118.549 118.549 120.061 -1.512 19766 4724 1 8 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.910 -0.006 19766 4725 1 8 . 1 1 28 28 LEU C C 28 180.057 180.057 179.676 0.381 19766 4726 1 8 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.607 -0.076 19766 4727 1 8 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.168 0.777 19766 4728 1 8 . 1 1 28 28 LEU H H 28 8.414 8.414 8.079 0.335 19766 4729 1 8 . 1 1 29 29 THR N N 29 122.156 122.156 114.943 7.213 19766 4730 1 8 . 1 1 29 29 THR HA H 29 4.032 4.032 3.982 0.050 19766 4731 1 8 . 1 1 29 29 THR C C 29 175.113 175.113 175.983 -0.870 19766 4732 1 8 . 1 1 29 29 THR CA C 29 66.754 66.754 66.539 0.215 19766 4733 1 8 . 1 1 29 29 THR CB C 29 68.490 68.490 68.586 -0.096 19766 4734 1 8 . 1 1 29 29 THR H H 29 8.715 8.715 7.730 0.985 19766 4735 1 8 . 1 1 30 30 VAL N N 30 116.487 116.487 119.631 -3.144 19766 4736 1 8 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.726 0.105 19766 4737 1 8 . 1 1 30 30 VAL C C 30 179.968 179.968 178.053 1.915 19766 4738 1 8 . 1 1 30 30 VAL CA C 30 65.515 65.515 66.039 -0.524 19766 4739 1 8 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.927 1.117 19766 4740 1 8 . 1 1 30 30 VAL H H 30 7.713 7.713 7.597 0.116 19766 4741 1 8 . 1 1 31 31 PHE N N 31 113.658 113.658 118.959 -5.301 19766 4742 1 8 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.454 -0.587 19766 4743 1 8 . 1 1 31 31 PHE C C 31 179.577 179.577 177.370 2.207 19766 4744 1 8 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.075 2.328 19766 4745 1 8 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.307 -0.994 19766 4746 1 8 . 1 1 31 31 PHE H H 31 8.876 8.876 8.868 0.008 19766 4747 1 8 . 1 1 32 32 SER N N 32 118.635 118.635 113.415 5.220 19766 4748 1 8 . 1 1 32 32 SER HA H 32 5.381 5.381 4.453 0.928 19766 4749 1 8 . 1 1 32 32 SER C C 32 172.662 172.662 174.866 -2.204 19766 4750 1 8 . 1 1 32 32 SER CA C 32 61.338 61.338 60.335 1.003 19766 4751 1 8 . 1 1 32 32 SER CB C 32 63.875 63.875 62.826 1.049 19766 4752 1 8 . 1 1 32 32 SER H H 32 8.106 8.106 8.204 -0.098 19766 4753 1 8 . 1 1 33 33 GLU N N 33 121.234 121.234 120.809 0.425 19766 4754 1 8 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.062 -1.905 19766 4755 1 8 . 1 1 33 33 GLU C C 33 174.223 174.223 177.649 -3.426 19766 4756 1 8 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.309 1.331 19766 4757 1 8 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.857 -2.026 19766 4758 1 8 . 1 1 33 33 GLU H H 33 6.964 6.964 7.481 -0.517 19766 4759 1 8 . 1 1 34 34 TYR N N 34 107.930 107.930 116.511 -8.581 19766 4760 1 8 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.619 -0.466 19766 4761 1 8 . 1 1 34 34 TYR C C 34 173.208 173.208 175.828 -2.620 19766 4762 1 8 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.864 -0.535 19766 4763 1 8 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.409 -0.531 19766 4764 1 8 . 1 1 34 34 TYR H H 34 6.229 6.229 7.498 -1.269 19766 4765 1 8 . 1 1 35 35 GLY N N 35 103.542 103.542 105.685 -2.143 19766 4766 1 8 . 1 1 35 35 GLY C C 35 170.379 170.379 171.927 -1.548 19766 4767 1 8 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.282 -0.603 19766 4768 1 8 . 1 1 35 35 GLY H H 35 7.257 7.257 6.940 0.317 19766 4769 1 8 . 1 1 36 36 VAL N N 36 120.446 120.446 120.723 -0.277 19766 4770 1 8 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.361 0.143 19766 4771 1 8 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.601 0.114 19766 4772 1 8 . 1 1 36 36 VAL CB C 36 34.031 34.031 34.108 -0.077 19766 4773 1 8 . 1 1 36 36 VAL H H 36 8.438 8.438 8.616 -0.178 19766 4774 1 8 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.557 0.146 19766 4775 1 8 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.582 -0.208 19766 4776 1 8 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.263 0.808 19766 4777 1 8 . 1 1 38 38 VAL N N 38 113.929 113.929 122.182 -8.253 19766 4778 1 8 . 1 1 38 38 VAL HA H 38 4.482 4.482 3.784 0.698 19766 4779 1 8 . 1 1 38 38 VAL CA C 38 60.454 60.454 64.692 -4.238 19766 4780 1 8 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.334 0.170 19766 4781 1 8 . 1 1 38 38 VAL H H 38 8.966 8.966 8.085 0.881 19766 4782 1 8 . 1 1 39 39 ASP N N 39 118.213 118.213 116.452 1.761 19766 4783 1 8 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.788 -0.113 19766 4784 1 8 . 1 1 39 39 ASP C C 39 174.637 174.637 173.924 0.713 19766 4785 1 8 . 1 1 39 39 ASP CA C 39 54.688 54.688 52.734 1.954 19766 4786 1 8 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.271 -0.464 19766 4787 1 8 . 1 1 39 39 ASP H H 39 7.500 7.500 7.786 -0.286 19766 4788 1 8 . 1 1 40 40 VAL N N 40 121.576 121.576 123.618 -2.042 19766 4789 1 8 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.071 -0.080 19766 4790 1 8 . 1 1 40 40 VAL C C 40 170.562 170.562 173.477 -2.915 19766 4791 1 8 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.597 0.761 19766 4792 1 8 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.834 -0.615 19766 4793 1 8 . 1 1 40 40 VAL H H 40 7.657 7.657 8.514 -0.857 19766 4794 1 8 . 1 1 41 41 ILE N N 41 125.384 125.384 121.711 3.673 19766 4795 1 8 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.643 0.175 19766 4796 1 8 . 1 1 41 41 ILE C C 41 175.425 175.425 172.854 2.571 19766 4797 1 8 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.238 2.252 19766 4798 1 8 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.830 1.726 19766 4799 1 8 . 1 1 41 41 ILE H H 41 8.901 8.901 8.818 0.083 19766 4800 1 8 . 1 1 42 42 LEU N N 42 128.888 128.888 127.328 1.560 19766 4801 1 8 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.766 -0.305 19766 4802 1 8 . 1 1 42 42 LEU C C 42 174.934 174.934 175.524 -0.590 19766 4803 1 8 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.167 0.209 19766 4804 1 8 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.801 -0.262 19766 4805 1 8 . 1 1 42 42 LEU H H 42 8.344 8.344 8.564 -0.220 19766 4806 1 8 . 1 1 43 43 SER N N 43 122.818 122.818 121.824 0.994 19766 4807 1 8 . 1 1 43 43 SER HA H 43 3.876 3.876 4.523 -0.647 19766 4808 1 8 . 1 1 43 43 SER C C 43 173.869 173.869 173.261 0.608 19766 4809 1 8 . 1 1 43 43 SER CA C 43 59.688 59.688 57.983 1.704 19766 4810 1 8 . 1 1 43 43 SER CB C 43 62.673 62.673 62.640 0.033 19766 4811 1 8 . 1 1 43 43 SER H H 43 8.362 8.362 8.952 -0.590 19766 4812 1 8 . 1 1 44 44 ARG N N 44 128.045 128.045 125.434 2.611 19766 4813 1 8 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.980 -0.151 19766 4814 1 8 . 1 1 44 44 ARG C C 44 175.031 175.031 175.082 -0.051 19766 4815 1 8 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.463 0.599 19766 4816 1 8 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.178 1.120 19766 4817 1 8 . 1 1 44 44 ARG H H 44 8.079 8.079 7.662 0.417 19766 4818 1 8 . 1 1 45 45 ASP N N 45 123.491 123.491 121.845 1.646 19766 4819 1 8 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.395 -0.158 19766 4820 1 8 . 1 1 45 45 ASP C C 45 177.487 177.487 176.880 0.607 19766 4821 1 8 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.930 -0.013 19766 4822 1 8 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.688 0.923 19766 4823 1 8 . 1 1 45 45 ASP H H 45 8.663 8.663 8.596 0.067 19766 4824 1 8 . 1 1 46 46 GLU N N 46 125.446 125.446 125.266 0.180 19766 4825 1 8 . 1 1 46 46 GLU HA H 46 3.907 3.907 3.959 -0.052 19766 4826 1 8 . 1 1 46 46 GLU C C 46 175.655 175.655 176.684 -1.029 19766 4827 1 8 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.308 0.565 19766 4828 1 8 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.816 -0.162 19766 4829 1 8 . 1 1 46 46 GLU H H 46 9.007 9.007 8.733 0.274 19766 4830 1 8 . 1 1 47 47 ASN N N 47 115.343 115.343 116.429 -1.086 19766 4831 1 8 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.682 0.202 19766 4832 1 8 . 1 1 47 47 ASN C C 47 176.665 176.665 176.973 -0.308 19766 4833 1 8 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.857 0.082 19766 4834 1 8 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.827 0.403 19766 4835 1 8 . 1 1 47 47 ASN H H 47 8.947 8.947 8.367 0.580 19766 4836 1 8 . 1 1 48 48 THR N N 48 107.604 107.604 113.212 -5.608 19766 4837 1 8 . 1 1 48 48 THR HA H 48 4.468 4.468 4.429 0.039 19766 4838 1 8 . 1 1 48 48 THR C C 48 176.465 176.465 175.743 0.722 19766 4839 1 8 . 1 1 48 48 THR CA C 48 61.555 61.555 62.832 -1.277 19766 4840 1 8 . 1 1 48 48 THR CB C 48 71.342 71.342 70.121 1.221 19766 4841 1 8 . 1 1 48 48 THR H H 48 8.450 8.450 8.778 -0.328 19766 4842 1 8 . 1 1 49 49 GLY N N 49 111.809 111.809 109.350 2.459 19766 4843 1 8 . 1 1 49 49 GLY C C 49 173.193 173.193 173.025 0.168 19766 4844 1 8 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.437 0.286 19766 4845 1 8 . 1 1 49 49 GLY H H 49 8.632 8.632 7.776 0.856 19766 4846 1 8 . 1 1 50 50 GLU N N 50 120.089 120.089 119.013 1.076 19766 4847 1 8 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.300 -0.167 19766 4848 1 8 . 1 1 50 50 GLU C C 50 176.586 176.586 176.279 0.307 19766 4849 1 8 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.644 1.888 19766 4850 1 8 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.326 0.758 19766 4851 1 8 . 1 1 50 50 GLU H H 50 7.825 7.825 8.001 -0.176 19766 4852 1 8 . 1 1 51 51 SER N N 51 115.686 115.686 118.691 -3.005 19766 4853 1 8 . 1 1 51 51 SER HA H 51 4.273 4.273 4.127 0.146 19766 4854 1 8 . 1 1 51 51 SER C C 51 176.516 176.516 174.857 1.659 19766 4855 1 8 . 1 1 51 51 SER CA C 51 58.415 58.415 59.105 -0.690 19766 4856 1 8 . 1 1 51 51 SER CB C 51 64.668 64.668 63.487 1.181 19766 4857 1 8 . 1 1 51 51 SER H H 51 8.871 8.871 8.728 0.143 19766 4858 1 8 . 1 1 52 52 GLN N N 52 123.284 123.284 123.858 -0.574 19766 4859 1 8 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.363 0.128 19766 4860 1 8 . 1 1 52 52 GLN C C 52 177.471 177.471 176.210 1.261 19766 4861 1 8 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.112 -0.965 19766 4862 1 8 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.899 -0.020 19766 4863 1 8 . 1 1 52 52 GLN H H 52 9.103 9.103 8.561 0.542 19766 4864 1 8 . 1 1 53 53 GLY N N 53 105.865 105.865 107.549 -1.684 19766 4865 1 8 . 1 1 53 53 GLY C C 53 172.010 172.010 172.955 -0.945 19766 4866 1 8 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.086 1.559 19766 4867 1 8 . 1 1 53 53 GLY H H 53 8.888 8.888 7.675 1.213 19766 4868 1 8 . 1 1 54 54 PHE N N 54 112.097 112.097 118.082 -5.985 19766 4869 1 8 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.268 0.078 19766 4870 1 8 . 1 1 54 54 PHE C C 54 171.548 171.548 173.242 -1.694 19766 4871 1 8 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.085 -0.414 19766 4872 1 8 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.843 -2.163 19766 4873 1 8 . 1 1 54 54 PHE H H 54 6.879 6.879 7.194 -0.315 19766 4874 1 8 . 1 1 55 55 ALA N N 55 122.332 122.332 121.765 0.567 19766 4875 1 8 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.919 0.204 19766 4876 1 8 . 1 1 55 55 ALA C C 55 173.074 173.074 174.435 -1.361 19766 4877 1 8 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.792 -1.263 19766 4878 1 8 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.732 3.007 19766 4879 1 8 . 1 1 55 55 ALA H H 55 9.051 9.051 8.796 0.254 19766 4880 1 8 . 1 1 56 56 TYR N N 56 115.022 115.022 116.148 -1.126 19766 4881 1 8 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.895 -0.221 19766 4882 1 8 . 1 1 56 56 TYR C C 56 175.292 175.292 174.406 0.886 19766 4883 1 8 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.500 -0.919 19766 4884 1 8 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.988 -0.641 19766 4885 1 8 . 1 1 56 56 TYR H H 56 9.007 9.007 8.945 0.062 19766 4886 1 8 . 1 1 57 57 LEU N N 57 122.695 122.695 121.299 1.396 19766 4887 1 8 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.493 -0.734 19766 4888 1 8 . 1 1 57 57 LEU C C 57 172.173 172.173 174.078 -1.905 19766 4889 1 8 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.943 0.873 19766 4890 1 8 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.692 0.214 19766 4891 1 8 . 1 1 57 57 LEU H H 57 8.648 8.648 8.953 -0.305 19766 4892 1 8 . 1 1 58 58 LYS N N 58 125.954 125.954 119.321 6.633 19766 4893 1 8 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.878 -0.413 19766 4894 1 8 . 1 1 58 58 LYS C C 58 174.900 174.900 173.932 0.968 19766 4895 1 8 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.969 -0.346 19766 4896 1 8 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.794 0.753 19766 4897 1 8 . 1 1 58 58 LYS H H 58 7.948 7.948 8.819 -0.871 19766 4898 1 8 . 1 1 59 59 TYR N N 59 126.396 126.396 124.056 2.340 19766 4899 1 8 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.724 0.376 19766 4900 1 8 . 1 1 59 59 TYR CA C 59 57.974 57.974 57.035 0.939 19766 4901 1 8 . 1 1 59 59 TYR CB C 59 42.498 42.498 41.222 1.276 19766 4902 1 8 . 1 1 59 59 TYR H H 59 9.007 9.007 8.074 0.933 19766 4903 1 8 . 1 1 60 60 GLU N N 60 120.848 120.848 128.144 -7.296 19766 4904 1 8 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.351 -0.478 19766 4905 1 8 . 1 1 60 60 GLU C C 60 175.081 175.081 174.993 0.088 19766 4906 1 8 . 1 1 60 60 GLU CA C 60 59.053 59.053 56.504 2.549 19766 4907 1 8 . 1 1 60 60 GLU CB C 60 30.867 30.867 27.991 2.876 19766 4908 1 8 . 1 1 60 60 GLU H H 60 8.973 8.973 8.155 0.818 19766 4909 1 8 . 1 1 61 61 ASP N N 61 117.604 117.604 125.223 -7.619 19766 4910 1 8 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.715 0.151 19766 4911 1 8 . 1 1 61 61 ASP C C 61 176.598 176.598 175.770 0.828 19766 4912 1 8 . 1 1 61 61 ASP CA C 61 51.112 51.112 54.973 -3.861 19766 4913 1 8 . 1 1 61 61 ASP CB C 61 43.424 43.424 41.886 1.538 19766 4914 1 8 . 1 1 61 61 ASP H H 61 8.017 8.017 8.019 -0.002 19766 4915 1 8 . 1 1 62 62 GLN N N 62 126.427 126.427 127.217 -0.790 19766 4916 1 8 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.123 0.147 19766 4917 1 8 . 1 1 62 62 GLN C C 62 178.514 178.514 177.213 1.301 19766 4918 1 8 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.773 -0.268 19766 4919 1 8 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.942 -0.969 19766 4920 1 8 . 1 1 62 62 GLN H H 62 9.007 9.007 8.911 0.096 19766 4921 1 8 . 1 1 63 63 ARG N N 63 121.369 121.369 118.600 2.769 19766 4922 1 8 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.081 -0.361 19766 4923 1 8 . 1 1 63 63 ARG C C 63 178.566 178.566 178.232 0.334 19766 4924 1 8 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.586 -0.504 19766 4925 1 8 . 1 1 63 63 ARG H H 63 9.013 9.013 8.040 0.973 19766 4926 1 8 . 1 1 64 64 SER N N 64 115.216 115.216 113.540 1.676 19766 4927 1 8 . 1 1 64 64 SER HA H 64 3.746 3.746 4.294 -0.548 19766 4928 1 8 . 1 1 64 64 SER C C 64 175.695 175.695 176.176 -0.481 19766 4929 1 8 . 1 1 64 64 SER CA C 64 63.651 63.651 60.584 3.067 19766 4930 1 8 . 1 1 64 64 SER H H 64 8.207 8.207 8.113 0.094 19766 4931 1 8 . 1 1 65 65 THR N N 65 111.402 111.402 120.174 -8.772 19766 4932 1 8 . 1 1 65 65 THR HA H 65 3.785 3.785 4.148 -0.363 19766 4933 1 8 . 1 1 65 65 THR C C 65 175.556 175.556 176.383 -0.827 19766 4934 1 8 . 1 1 65 65 THR CA C 65 66.178 66.178 67.274 -1.096 19766 4935 1 8 . 1 1 65 65 THR CB C 65 68.414 68.414 68.766 -0.352 19766 4936 1 8 . 1 1 65 65 THR H H 65 7.640 7.640 7.430 0.210 19766 4937 1 8 . 1 1 66 66 ILE N N 66 122.905 122.905 121.923 0.982 19766 4938 1 8 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.930 -0.228 19766 4939 1 8 . 1 1 66 66 ILE C C 66 177.292 177.292 178.043 -0.751 19766 4940 1 8 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.217 -0.963 19766 4941 1 8 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.666 0.733 19766 4942 1 8 . 1 1 66 66 ILE H H 66 6.702 6.702 7.862 -1.160 19766 4943 1 8 . 1 1 67 67 LEU N N 67 114.425 114.425 121.049 -6.624 19766 4944 1 8 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.788 -0.058 19766 4945 1 8 . 1 1 67 67 LEU C C 67 179.641 179.641 178.116 1.525 19766 4946 1 8 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.748 -0.161 19766 4947 1 8 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.218 0.465 19766 4948 1 8 . 1 1 67 67 LEU H H 67 6.975 6.975 7.982 -1.007 19766 4949 1 8 . 1 1 68 68 ALA N N 68 120.639 120.639 120.439 0.200 19766 4950 1 8 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.136 0.299 19766 4951 1 8 . 1 1 68 68 ALA C C 68 179.087 179.087 179.422 -0.335 19766 4952 1 8 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.730 1.006 19766 4953 1 8 . 1 1 68 68 ALA CB C 68 19.013 19.013 17.939 1.074 19766 4954 1 8 . 1 1 68 68 ALA H H 68 8.225 8.225 7.440 0.785 19766 4955 1 8 . 1 1 69 69 VAL N N 69 118.866 118.866 117.976 0.890 19766 4956 1 8 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.549 -0.310 19766 4957 1 8 . 1 1 69 69 VAL C C 69 178.798 178.798 177.911 0.887 19766 4958 1 8 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.625 0.400 19766 4959 1 8 . 1 1 69 69 VAL CB C 69 31.837 31.837 30.955 0.882 19766 4960 1 8 . 1 1 69 69 VAL H H 69 8.162 8.162 7.557 0.605 19766 4961 1 8 . 1 1 70 70 ASP N N 70 117.230 117.230 117.522 -0.292 19766 4962 1 8 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.462 -0.408 19766 4963 1 8 . 1 1 70 70 ASP C C 70 178.297 178.297 177.239 1.058 19766 4964 1 8 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.720 0.549 19766 4965 1 8 . 1 1 70 70 ASP CB C 70 39.622 39.622 40.570 -0.948 19766 4966 1 8 . 1 1 70 70 ASP H H 70 8.262 8.262 8.031 0.231 19766 4967 1 8 . 1 1 71 71 ASN N N 71 111.214 111.214 117.779 -6.565 19766 4968 1 8 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.668 0.195 19766 4969 1 8 . 1 1 71 71 ASN C C 71 176.614 176.614 176.202 0.412 19766 4970 1 8 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.581 1.020 19766 4971 1 8 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.960 1.640 19766 4972 1 8 . 1 1 71 71 ASN H H 71 7.541 7.541 7.615 -0.074 19766 4973 1 8 . 1 1 72 72 LEU N N 72 116.127 116.127 117.207 -1.080 19766 4974 1 8 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.369 0.280 19766 4975 1 8 . 1 1 72 72 LEU C C 72 177.465 177.465 176.113 1.352 19766 4976 1 8 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.474 -0.123 19766 4977 1 8 . 1 1 72 72 LEU CB C 72 42.548 42.548 43.431 -0.883 19766 4978 1 8 . 1 1 72 72 LEU H H 72 8.323 8.323 8.031 0.292 19766 4979 1 8 . 1 1 73 73 ASN N N 73 118.792 118.792 118.689 0.103 19766 4980 1 8 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.605 -0.194 19766 4981 1 8 . 1 1 73 73 ASN C C 73 177.085 177.085 176.602 0.483 19766 4982 1 8 . 1 1 73 73 ASN CA C 73 56.554 56.554 55.112 1.442 19766 4983 1 8 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.496 0.962 19766 4984 1 8 . 1 1 73 73 ASN H H 73 6.965 6.965 7.943 -0.978 19766 4985 1 8 . 1 1 74 74 GLY N N 74 115.779 115.779 114.443 1.336 19766 4986 1 8 . 1 1 74 74 GLY C C 74 172.848 172.848 173.980 -1.132 19766 4987 1 8 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.845 0.913 19766 4988 1 8 . 1 1 74 74 GLY H H 74 9.389 9.389 8.886 0.503 19766 4989 1 8 . 1 1 75 75 PHE N N 75 123.194 123.194 122.487 0.707 19766 4990 1 8 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.455 -0.168 19766 4991 1 8 . 1 1 75 75 PHE C C 75 174.778 174.778 174.751 0.027 19766 4992 1 8 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.163 0.711 19766 4993 1 8 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.597 1.005 19766 4994 1 8 . 1 1 75 75 PHE H H 75 8.133 8.133 8.089 0.044 19766 4995 1 8 . 1 1 76 76 LYS N N 76 127.364 127.364 129.006 -1.642 19766 4996 1 8 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.865 -0.194 19766 4997 1 8 . 1 1 76 76 LYS C C 76 175.286 175.286 175.666 -0.380 19766 4998 1 8 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.526 0.726 19766 4999 1 8 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.102 1.099 19766 5000 1 8 . 1 1 76 76 LYS H H 76 7.596 7.596 7.901 -0.305 19766 5001 1 8 . 1 1 77 77 ILE N N 77 120.094 120.094 127.487 -7.393 19766 5002 1 8 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.264 0.094 19766 5003 1 8 . 1 1 77 77 ILE C C 77 177.519 177.519 175.908 1.611 19766 5004 1 8 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.983 -0.480 19766 5005 1 8 . 1 1 77 77 ILE CB C 77 40.636 40.636 40.502 0.134 19766 5006 1 8 . 1 1 77 77 ILE H H 77 8.004 8.004 9.061 -1.057 19766 5007 1 8 . 1 1 78 78 GLY N N 78 119.932 119.932 116.078 3.854 19766 5008 1 8 . 1 1 78 78 GLY C C 78 175.944 175.944 175.142 0.802 19766 5009 1 8 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.232 1.987 19766 5010 1 8 . 1 1 78 78 GLY H H 78 10.183 10.183 9.041 1.142 19766 5011 1 8 . 1 1 79 79 GLY N N 79 104.505 104.505 105.005 -0.500 19766 5012 1 8 . 1 1 79 79 GLY C C 79 173.347 173.347 174.194 -0.847 19766 5013 1 8 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.915 0.177 19766 5014 1 8 . 1 1 79 79 GLY H H 79 8.892 8.892 8.377 0.515 19766 5015 1 8 . 1 1 80 80 ARG N N 80 119.144 119.144 120.881 -1.737 19766 5016 1 8 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.610 0.056 19766 5017 1 8 . 1 1 80 80 ARG C C 80 174.693 174.693 174.163 0.530 19766 5018 1 8 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.300 0.378 19766 5019 1 8 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.599 0.809 19766 5020 1 8 . 1 1 80 80 ARG H H 80 7.281 7.281 7.755 -0.474 19766 5021 1 8 . 1 1 81 81 ALA N N 81 126.229 126.229 125.047 1.182 19766 5022 1 8 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.285 -1.084 19766 5023 1 8 . 1 1 81 81 ALA C C 81 176.967 176.967 177.427 -0.460 19766 5024 1 8 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.120 1.009 19766 5025 1 8 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.108 -0.908 19766 5026 1 8 . 1 1 81 81 ALA H H 81 8.673 8.673 8.413 0.260 19766 5027 1 8 . 1 1 82 82 LEU N N 82 125.471 125.471 121.740 3.731 19766 5028 1 8 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.765 -0.341 19766 5029 1 8 . 1 1 82 82 LEU C C 82 177.436 177.436 176.039 1.397 19766 5030 1 8 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.573 1.577 19766 5031 1 8 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.739 0.534 19766 5032 1 8 . 1 1 82 82 LEU H H 82 8.702 8.702 8.567 0.135 19766 5033 1 8 . 1 1 83 83 LYS N N 83 123.609 123.609 123.311 0.298 19766 5034 1 8 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.033 -0.028 19766 5035 1 8 . 1 1 83 83 LYS C C 83 174.759 174.759 175.325 -0.566 19766 5036 1 8 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.381 0.404 19766 5037 1 8 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.298 0.148 19766 5038 1 8 . 1 1 83 83 LYS H H 83 7.853 7.853 8.559 -0.706 19766 5039 1 8 . 1 1 84 84 ILE N N 84 125.547 125.547 128.542 -2.995 19766 5040 1 8 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.570 0.129 19766 5041 1 8 . 1 1 84 84 ILE C C 84 174.989 174.989 175.625 -0.636 19766 5042 1 8 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.897 -1.478 19766 5043 1 8 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.236 -0.869 19766 5044 1 8 . 1 1 84 84 ILE H H 84 8.719 8.719 8.876 -0.157 19766 5045 1 8 . 1 1 85 85 ASP N N 85 124.650 124.650 124.603 0.047 19766 5046 1 8 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.125 -0.121 19766 5047 1 8 . 1 1 85 85 ASP C C 85 175.302 175.302 174.292 1.010 19766 5048 1 8 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.277 0.204 19766 5049 1 8 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.902 0.567 19766 5050 1 8 . 1 1 85 85 ASP H H 85 8.826 8.826 9.105 -0.279 19766 5051 1 8 . 1 1 86 86 HIS N N 86 121.936 121.936 120.056 1.880 19766 5052 1 8 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.023 -0.320 19766 5053 1 8 . 1 1 86 86 HIS C C 86 175.216 175.216 175.743 -0.527 19766 5054 1 8 . 1 1 86 86 HIS CA C 86 57.944 57.944 57.480 0.464 19766 5055 1 8 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.364 0.116 19766 5056 1 8 . 1 1 86 86 HIS H H 86 8.909 8.909 8.862 0.047 19766 5057 1 8 . 1 1 87 87 THR N N 87 116.612 116.612 117.489 -0.877 19766 5058 1 8 . 1 1 87 87 THR HA H 87 4.688 4.688 4.690 -0.002 19766 5059 1 8 . 1 1 87 87 THR CA C 87 61.030 61.030 60.983 0.047 19766 5060 1 8 . 1 1 87 87 THR CB C 87 69.903 69.903 70.625 -0.722 19766 5061 1 8 . 1 1 87 87 THR H H 87 8.521 8.521 9.109 -0.588 19766 5062 1 8 . 1 1 88 88 PHE N N 88 123.233 123.233 122.299 0.934 19766 5063 1 8 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.728 0.566 19766 5064 1 8 . 1 1 88 88 PHE C C 88 176.452 176.452 173.373 3.079 19766 5065 1 8 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.987 -1.054 19766 5066 1 8 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.941 0.172 19766 5067 1 8 . 1 1 88 88 PHE H H 88 8.145 8.145 8.216 -0.070 19766 5068 1 8 . 1 1 89 89 TYR N N 89 122.872 122.872 123.985 -1.113 19766 5069 1 8 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.638 -0.564 19766 5070 1 8 . 1 1 89 89 TYR C C 89 173.089 173.089 173.557 -0.468 19766 5071 1 8 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.867 1.661 19766 5072 1 8 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.032 -0.224 19766 5073 1 8 . 1 1 89 89 TYR H H 89 8.242 8.242 7.653 0.589 19766 5074 1 8 . 1 1 90 90 ARG N N 90 128.867 128.867 121.915 6.952 19766 5075 1 8 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.101 0.328 19766 5076 1 8 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.103 -1.536 19766 5077 1 8 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.591 1.403 19766 5078 1 8 . 1 1 90 90 ARG H H 90 7.018 7.018 8.402 -1.384 19766 5079 1 8 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.335 -0.145 19766 5080 1 8 . 1 1 91 91 PRO C C 91 176.284 176.284 176.305 -0.021 19766 5081 1 8 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.334 0.154 19766 5082 1 8 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.748 1.299 19766 5083 1 8 . 1 1 92 92 LYS N N 92 119.987 119.987 121.870 -1.883 19766 5084 1 8 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.391 0.291 19766 5085 1 8 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.042 -1.355 19766 5086 1 8 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.606 1.453 19766 5087 1 8 . 1 1 92 92 LYS H H 92 8.672 8.672 8.657 0.015 19766 5088 1 8 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.139 0.035 19766 5089 1 8 . 1 1 93 93 ARG C C 93 178.848 178.848 178.220 0.628 19766 5090 1 8 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.526 0.666 19766 5091 1 8 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.584 0.212 19766 5092 1 8 . 1 1 94 94 SER N N 94 112.252 112.252 116.040 -3.788 19766 5093 1 8 . 1 1 94 94 SER HA H 94 4.266 4.266 4.295 -0.029 19766 5094 1 8 . 1 1 94 94 SER C C 94 175.827 175.827 175.070 0.757 19766 5095 1 8 . 1 1 94 94 SER CA C 94 60.087 60.087 60.953 -0.866 19766 5096 1 8 . 1 1 94 94 SER CB C 94 62.266 62.266 62.881 -0.615 19766 5097 1 8 . 1 1 94 94 SER H H 94 8.353 8.353 8.479 -0.126 19766 5098 1 8 . 1 1 95 95 LEU N N 95 122.261 122.261 120.395 1.866 19766 5099 1 8 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.579 0.086 19766 5100 1 8 . 1 1 95 95 LEU C C 95 175.444 175.444 177.634 -2.190 19766 5101 1 8 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.908 0.196 19766 5102 1 8 . 1 1 95 95 LEU CB C 95 41.912 41.912 40.527 1.385 19766 5103 1 8 . 1 1 95 95 LEU H H 95 7.229 7.229 8.196 -0.967 19766 5104 1 8 . 1 1 96 96 GLN N N 96 118.873 118.873 120.381 -1.508 19766 5105 1 8 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.208 -0.115 19766 5106 1 8 . 1 1 96 96 GLN C C 96 177.668 177.668 177.579 0.089 19766 5107 1 8 . 1 1 96 96 GLN CA C 96 60.710 60.710 58.970 1.740 19766 5108 1 8 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.116 0.865 19766 5109 1 8 . 1 1 96 96 GLN H H 96 7.390 7.390 7.801 -0.411 19766 5110 1 8 . 1 1 97 97 LYS N N 97 116.416 116.416 119.084 -2.668 19766 5111 1 8 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.089 0.028 19766 5112 1 8 . 1 1 97 97 LYS C C 97 179.237 179.237 179.147 0.090 19766 5113 1 8 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.123 1.270 19766 5114 1 8 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.823 -0.307 19766 5115 1 8 . 1 1 97 97 LYS H H 97 8.595 8.595 8.327 0.268 19766 5116 1 8 . 1 1 98 98 TYR N N 98 123.922 123.922 121.887 2.035 19766 5117 1 8 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.137 -0.000 19766 5118 1 8 . 1 1 98 98 TYR C C 98 177.309 177.309 177.474 -0.165 19766 5119 1 8 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.719 0.509 19766 5120 1 8 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.362 -1.073 19766 5121 1 8 . 1 1 98 98 TYR H H 98 7.558 7.558 8.196 -0.638 19766 5122 1 8 . 1 1 99 99 TYR N N 99 118.047 118.047 117.984 0.063 19766 5123 1 8 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.879 1.229 19766 5124 1 8 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.983 -4.085 19766 5125 1 8 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.106 -0.884 19766 5126 1 8 . 1 1 99 99 TYR H H 99 8.624 8.624 7.653 0.971 19766 5127 1 8 . 1 1 100 100 GLU N N 100 118.804 118.804 118.465 0.339 19766 5128 1 8 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.949 0.117 19766 5129 1 8 . 1 1 100 100 GLU C C 100 178.595 178.595 178.329 0.266 19766 5130 1 8 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.371 0.114 19766 5131 1 8 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.101 0.694 19766 5132 1 8 . 1 1 100 100 GLU H H 100 8.348 8.348 8.262 0.086 19766 5133 1 8 . 1 1 101 101 ALA N N 101 123.315 123.315 122.007 1.308 19766 5134 1 8 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.031 0.264 19766 5135 1 8 . 1 1 101 101 ALA C C 101 181.438 181.438 179.772 1.666 19766 5136 1 8 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.833 0.025 19766 5137 1 8 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.478 0.199 19766 5138 1 8 . 1 1 101 101 ALA H H 101 7.963 7.963 7.623 0.340 19766 5139 1 8 . 1 1 102 102 VAL N N 102 120.092 120.092 118.433 1.659 19766 5140 1 8 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.621 0.156 19766 5141 1 8 . 1 1 102 102 VAL C C 102 176.958 176.958 178.129 -1.171 19766 5142 1 8 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.862 1.543 19766 5143 1 8 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.212 0.624 19766 5144 1 8 . 1 1 102 102 VAL H H 102 8.321 8.321 7.617 0.704 19766 5145 1 8 . 1 1 103 103 LYS N N 103 120.226 120.226 118.853 1.373 19766 5146 1 8 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.049 -0.123 19766 5147 1 8 . 1 1 103 103 LYS C C 103 178.354 178.354 178.547 -0.193 19766 5148 1 8 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.272 0.411 19766 5149 1 8 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.982 0.194 19766 5150 1 8 . 1 1 103 103 LYS H H 103 8.266 8.266 7.734 0.532 19766 5151 1 8 . 1 1 104 104 GLU N N 104 116.521 116.521 119.718 -3.197 19766 5152 1 8 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.022 -0.061 19766 5153 1 8 . 1 1 104 104 GLU C C 104 178.628 178.628 178.862 -0.234 19766 5154 1 8 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.580 -0.469 19766 5155 1 8 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.212 0.513 19766 5156 1 8 . 1 1 104 104 GLU H H 104 8.027 8.027 8.470 -0.443 19766 5157 1 8 . 1 1 105 105 GLU N N 105 118.569 118.569 117.926 0.643 19766 5158 1 8 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.164 -0.264 19766 5159 1 8 . 1 1 105 105 GLU C C 105 178.399 178.399 178.841 -0.442 19766 5160 1 8 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.184 0.081 19766 5161 1 8 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.318 0.455 19766 5162 1 8 . 1 1 105 105 GLU H H 105 7.225 7.225 7.673 -0.448 19766 5163 1 8 . 1 1 106 106 LEU N N 106 116.938 116.938 118.690 -1.752 19766 5164 1 8 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.267 -0.234 19766 5165 1 8 . 1 1 106 106 LEU C C 106 179.770 179.770 178.919 0.851 19766 5166 1 8 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.829 0.096 19766 5167 1 8 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.210 -1.925 19766 5168 1 8 . 1 1 106 106 LEU H H 106 8.273 8.273 7.267 1.006 19766 5169 1 8 . 1 1 107 107 ASP N N 107 119.855 119.855 120.680 -0.825 19766 5170 1 8 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.355 0.193 19766 5171 1 8 . 1 1 107 107 ASP C C 107 177.891 177.891 177.443 0.448 19766 5172 1 8 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.600 -1.667 19766 5173 1 8 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.706 0.008 19766 5174 1 8 . 1 1 107 107 ASP H H 107 8.286 8.286 8.759 -0.473 19766 5175 1 8 . 1 1 108 108 ARG N N 108 118.853 118.853 115.625 3.228 19766 5176 1 8 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.133 -0.052 19766 5177 1 8 . 1 1 108 108 ARG C C 108 177.325 177.325 177.183 0.142 19766 5178 1 8 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.165 -0.156 19766 5179 1 8 . 1 1 108 108 ARG CB C 108 30.404 30.404 30.046 0.358 19766 5180 1 8 . 1 1 108 108 ARG H H 108 7.406 7.406 7.453 -0.047 19766 5181 1 8 . 1 1 109 109 ASP N N 109 119.636 119.636 118.883 0.753 19766 5182 1 8 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.545 -0.010 19766 5183 1 8 . 1 1 109 109 ASP C C 109 176.758 176.758 177.159 -0.401 19766 5184 1 8 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.895 -0.657 19766 5185 1 8 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.560 -0.815 19766 5186 1 8 . 1 1 109 109 ASP H H 109 7.853 7.853 7.691 0.162 19766 5187 1 8 . 1 1 110 110 ILE N N 110 119.905 119.905 119.369 0.536 19766 5188 1 8 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.816 0.288 19766 5189 1 8 . 1 1 110 110 ILE C C 110 176.642 176.642 176.265 0.377 19766 5190 1 8 . 1 1 110 110 ILE CA C 110 61.776 61.776 64.224 -2.448 19766 5191 1 8 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.684 -0.230 19766 5192 1 8 . 1 1 110 110 ILE H H 110 7.623 7.623 7.221 0.402 19766 5193 1 8 . 1 1 111 111 VAL N N 111 122.938 122.938 120.249 2.689 19766 5194 1 8 . 1 1 111 111 VAL HA H 111 4.078 4.078 4.014 0.064 19766 5195 1 8 . 1 1 111 111 VAL C C 111 176.668 176.668 175.561 1.107 19766 5196 1 8 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.469 0.568 19766 5197 1 8 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.207 -0.725 19766 5198 1 8 . 1 1 111 111 VAL H H 111 8.043 8.043 8.117 -0.074 19766 5199 1 8 . 1 1 112 112 SER N N 112 118.345 118.345 123.868 -5.523 19766 5200 1 8 . 1 1 112 112 SER HA H 112 4.417 4.417 4.401 0.016 19766 5201 1 8 . 1 1 112 112 SER C C 112 174.925 174.925 175.003 -0.078 19766 5202 1 8 . 1 1 112 112 SER CA C 112 58.848 58.848 59.572 -0.724 19766 5203 1 8 . 1 1 112 112 SER CB C 112 63.551 63.551 63.456 0.095 19766 5204 1 8 . 1 1 112 112 SER H H 112 8.210 8.210 8.502 -0.292 19766 5205 1 8 . 1 1 113 113 LYS N N 113 122.729 122.729 121.448 1.281 19766 5206 1 8 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.453 -0.135 19766 5207 1 8 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.802 0.794 19766 5208 1 8 . 1 1 113 113 LYS CB C 113 32.846 32.846 32.628 0.218 19766 5209 1 8 . 1 1 113 113 LYS H H 113 8.295 8.295 7.844 0.451 19766 5210 1 8 . 1 1 114 114 ASN N N 114 119.243 119.243 123.936 -4.693 19766 5211 1 8 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.562 0.116 19766 5212 1 8 . 1 1 114 114 ASN CA C 114 53.483 53.483 54.241 -0.758 19766 5213 1 8 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.018 -0.160 19766 5214 1 8 . 1 1 114 114 ASN H H 114 8.372 8.372 9.166 -0.794 19766 5215 1 8 . 1 1 115 115 ASN N N 115 119.155 119.155 116.018 3.137 19766 5216 1 8 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.642 0.040 19766 5217 1 8 . 1 1 115 115 ASN C C 115 174.877 174.877 173.580 1.297 19766 5218 1 8 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.470 1.013 19766 5219 1 8 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.109 -0.251 19766 5220 1 8 . 1 1 115 115 ASN H H 115 8.372 8.372 7.917 0.456 19766 5221 1 8 . 1 1 116 116 ALA N N 116 123.743 123.743 122.387 1.356 19766 5222 1 8 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.577 -0.248 19766 5223 1 8 . 1 1 116 116 ALA C C 116 177.574 177.574 177.186 0.388 19766 5224 1 8 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.488 1.205 19766 5225 1 8 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.983 0.364 19766 5226 1 8 . 1 1 116 116 ALA H H 116 8.116 8.116 8.467 -0.351 19766 5227 1 8 . 1 1 117 117 GLU N N 117 120.161 120.161 123.608 -3.447 19766 5228 1 8 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.248 0.025 19766 5229 1 8 . 1 1 117 117 GLU C C 117 175.557 175.557 176.407 -0.850 19766 5230 1 8 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.429 0.230 19766 5231 1 8 . 1 1 117 117 GLU CB C 117 30.154 30.154 29.585 0.569 19766 5232 1 8 . 1 1 117 117 GLU H H 117 8.220 8.220 8.707 -0.487 19766 5233 1 9 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.492 -0.152 19766 5234 1 9 . 1 1 2 2 ALA C C 2 177.830 177.830 176.630 1.200 19766 5235 1 9 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.177 0.516 19766 5236 1 9 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.952 0.407 19766 5237 1 9 . 1 1 3 3 MET N N 3 119.580 119.580 122.752 -3.172 19766 5238 1 9 . 1 1 3 3 MET HA H 3 4.482 4.482 5.152 -0.670 19766 5239 1 9 . 1 1 3 3 MET C C 3 176.714 176.714 177.259 -0.545 19766 5240 1 9 . 1 1 3 3 MET CA C 3 55.590 55.590 54.517 1.073 19766 5241 1 9 . 1 1 3 3 MET CB C 3 32.922 32.922 35.312 -2.390 19766 5242 1 9 . 1 1 3 3 MET H H 3 8.451 8.451 8.075 0.376 19766 5243 1 9 . 1 1 4 4 GLY N N 4 109.951 109.951 110.390 -0.439 19766 5244 1 9 . 1 1 4 4 GLY C C 4 174.082 174.082 175.119 -1.037 19766 5245 1 9 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.167 0.299 19766 5246 1 9 . 1 1 4 4 GLY H H 4 8.400 8.400 9.419 -1.019 19766 5247 1 9 . 1 1 5 5 ASN N N 5 118.667 118.667 116.975 1.692 19766 5248 1 9 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.630 0.054 19766 5249 1 9 . 1 1 5 5 ASN C C 5 175.489 175.489 175.617 -0.128 19766 5250 1 9 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.247 -0.746 19766 5251 1 9 . 1 1 5 5 ASN CB C 5 38.966 38.966 37.435 1.531 19766 5252 1 9 . 1 1 5 5 ASN H H 5 8.378 8.378 8.549 -0.171 19766 5253 1 9 . 1 1 6 6 GLU N N 6 120.908 120.908 118.802 2.106 19766 5254 1 9 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.208 -0.042 19766 5255 1 9 . 1 1 6 6 GLU C C 6 176.336 176.336 176.148 0.188 19766 5256 1 9 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.269 -0.000 19766 5257 1 9 . 1 1 6 6 GLU CB C 6 29.736 29.736 30.158 -0.422 19766 5258 1 9 . 1 1 6 6 GLU H H 6 8.620 8.620 8.302 0.318 19766 5259 1 9 . 1 1 7 7 TYR N N 7 120.339 120.339 120.932 -0.593 19766 5260 1 9 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.633 -0.133 19766 5261 1 9 . 1 1 7 7 TYR C C 7 175.808 175.808 174.505 1.303 19766 5262 1 9 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.846 1.306 19766 5263 1 9 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.997 -0.803 19766 5264 1 9 . 1 1 7 7 TYR H H 7 8.045 8.045 7.616 0.429 19766 5265 1 9 . 1 1 8 8 LYS N N 8 121.700 121.700 125.747 -4.047 19766 5266 1 9 . 1 1 8 8 LYS HA H 8 4.150 4.150 3.450 0.700 19766 5267 1 9 . 1 1 8 8 LYS C C 8 175.868 175.868 176.819 -0.951 19766 5268 1 9 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.436 -0.874 19766 5269 1 9 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.122 1.036 19766 5270 1 9 . 1 1 8 8 LYS H H 8 7.829 7.829 8.269 -0.440 19766 5271 1 9 . 1 1 9 9 ASP N N 9 119.811 119.811 117.951 1.860 19766 5272 1 9 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.220 0.418 19766 5273 1 9 . 1 1 9 9 ASP C C 9 175.972 175.972 176.138 -0.166 19766 5274 1 9 . 1 1 9 9 ASP CA C 9 54.624 54.624 55.678 -1.054 19766 5275 1 9 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.295 1.244 19766 5276 1 9 . 1 1 9 9 ASP H H 9 8.137 8.137 7.883 0.254 19766 5277 1 9 . 1 1 10 10 ASN N N 10 119.794 119.794 119.569 0.225 19766 5278 1 9 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.910 0.062 19766 5279 1 9 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.903 -0.058 19766 5280 1 9 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.149 0.610 19766 5281 1 9 . 1 1 10 10 ASN H H 10 8.292 8.292 7.477 0.815 19766 5282 1 9 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.443 0.160 19766 5283 1 9 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.192 0.057 19766 5284 1 9 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.753 -0.565 19766 5285 1 9 . 1 1 12 12 TYR N N 12 118.889 118.889 119.509 -0.620 19766 5286 1 9 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.162 -0.018 19766 5287 1 9 . 1 1 12 12 TYR C C 12 177.773 177.773 175.629 2.144 19766 5288 1 9 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.678 -1.495 19766 5289 1 9 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.361 3.220 19766 5290 1 9 . 1 1 12 12 TYR H H 12 8.057 8.057 7.895 0.162 19766 5291 1 9 . 1 1 13 13 ILE N N 13 112.765 112.765 119.850 -7.085 19766 5292 1 9 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.347 -0.193 19766 5293 1 9 . 1 1 13 13 ILE C C 13 174.312 174.312 174.750 -0.438 19766 5294 1 9 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.158 0.878 19766 5295 1 9 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.373 -0.477 19766 5296 1 9 . 1 1 13 13 ILE H H 13 9.310 9.310 9.351 -0.041 19766 5297 1 9 . 1 1 14 14 TYR N N 14 124.417 124.417 128.592 -4.175 19766 5298 1 9 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.805 -0.098 19766 5299 1 9 . 1 1 14 14 TYR C C 14 173.058 173.058 173.758 -0.700 19766 5300 1 9 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.460 -1.248 19766 5301 1 9 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.672 0.547 19766 5302 1 9 . 1 1 14 14 TYR H H 14 9.252 9.252 9.084 0.168 19766 5303 1 9 . 1 1 15 15 ILE N N 15 127.660 127.660 127.886 -0.226 19766 5304 1 9 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.978 -0.713 19766 5305 1 9 . 1 1 15 15 ILE C C 15 173.705 173.705 174.454 -0.749 19766 5306 1 9 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.497 -0.011 19766 5307 1 9 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.264 0.738 19766 5308 1 9 . 1 1 15 15 ILE H H 15 8.558 8.558 8.569 -0.011 19766 5309 1 9 . 1 1 16 16 GLY N N 16 112.792 112.792 112.337 0.455 19766 5310 1 9 . 1 1 16 16 GLY C C 16 173.110 173.110 172.965 0.145 19766 5311 1 9 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.946 0.303 19766 5312 1 9 . 1 1 16 16 GLY H H 16 9.516 9.516 8.831 0.685 19766 5313 1 9 . 1 1 17 17 ASN N N 17 115.139 115.139 116.177 -1.038 19766 5314 1 9 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.173 0.223 19766 5315 1 9 . 1 1 17 17 ASN C C 17 174.854 174.854 173.858 0.996 19766 5316 1 9 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.563 -0.327 19766 5317 1 9 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.692 0.241 19766 5318 1 9 . 1 1 17 17 ASN H H 17 8.511 8.511 8.297 0.214 19766 5319 1 9 . 1 1 18 18 LEU N N 18 114.660 114.660 119.110 -4.450 19766 5320 1 9 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.422 -0.386 19766 5321 1 9 . 1 1 18 18 LEU C C 18 178.161 178.161 176.099 2.062 19766 5322 1 9 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.656 0.228 19766 5323 1 9 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.920 -1.358 19766 5324 1 9 . 1 1 18 18 LEU H H 18 7.839 7.839 7.839 -0.000 19766 5325 1 9 . 1 1 19 19 ASN N N 19 122.707 122.707 118.722 3.985 19766 5326 1 9 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.607 -0.244 19766 5327 1 9 . 1 1 19 19 ASN C C 19 178.037 178.037 176.766 1.271 19766 5328 1 9 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.640 1.964 19766 5329 1 9 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.335 -1.523 19766 5330 1 9 . 1 1 19 19 ASN H H 19 8.779 8.779 8.697 0.082 19766 5331 1 9 . 1 1 20 20 ARG N N 20 128.724 128.724 126.115 2.609 19766 5332 1 9 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.960 -0.107 19766 5333 1 9 . 1 1 20 20 ARG C C 20 175.612 175.612 177.486 -1.874 19766 5334 1 9 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.690 0.084 19766 5335 1 9 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.060 -0.376 19766 5336 1 9 . 1 1 20 20 ARG H H 20 8.954 8.954 8.783 0.171 19766 5337 1 9 . 1 1 21 21 GLU N N 21 117.609 117.609 118.137 -0.528 19766 5338 1 9 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.188 0.085 19766 5339 1 9 . 1 1 21 21 GLU C C 21 177.285 177.285 177.109 0.176 19766 5340 1 9 . 1 1 21 21 GLU CA C 21 56.782 56.782 57.516 -0.734 19766 5341 1 9 . 1 1 21 21 GLU CB C 21 30.498 30.498 29.742 0.756 19766 5342 1 9 . 1 1 21 21 GLU H H 21 9.092 9.092 8.177 0.915 19766 5343 1 9 . 1 1 22 22 LEU N N 22 116.169 116.169 121.775 -5.606 19766 5344 1 9 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.350 0.206 19766 5345 1 9 . 1 1 22 22 LEU C C 22 178.328 178.328 176.166 2.162 19766 5346 1 9 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.996 0.660 19766 5347 1 9 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.481 0.745 19766 5348 1 9 . 1 1 22 22 LEU H H 22 7.208 7.208 7.711 -0.503 19766 5349 1 9 . 1 1 23 23 THR N N 23 113.733 113.733 117.436 -3.703 19766 5350 1 9 . 1 1 23 23 THR HA H 23 4.349 4.349 4.633 -0.284 19766 5351 1 9 . 1 1 23 23 THR C C 23 175.225 175.225 175.480 -0.255 19766 5352 1 9 . 1 1 23 23 THR CA C 23 59.960 59.960 59.418 0.542 19766 5353 1 9 . 1 1 23 23 THR CB C 23 72.172 72.172 71.115 1.057 19766 5354 1 9 . 1 1 23 23 THR H H 23 8.732 8.732 8.071 0.661 19766 5355 1 9 . 1 1 24 24 GLU N N 24 119.838 119.838 122.825 -2.987 19766 5356 1 9 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.892 -0.235 19766 5357 1 9 . 1 1 24 24 GLU C C 24 178.983 178.983 178.715 0.268 19766 5358 1 9 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.322 3.249 19766 5359 1 9 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.440 -2.094 19766 5360 1 9 . 1 1 24 24 GLU H H 24 9.761 9.761 9.053 0.708 19766 5361 1 9 . 1 1 25 25 GLY N N 25 104.462 104.462 105.885 -1.423 19766 5362 1 9 . 1 1 25 25 GLY C C 25 175.139 175.139 175.613 -0.474 19766 5363 1 9 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.484 1.121 19766 5364 1 9 . 1 1 25 25 GLY H H 25 8.486 8.486 8.578 -0.092 19766 5365 1 9 . 1 1 26 26 ASP N N 26 123.296 123.296 122.993 0.303 19766 5366 1 9 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.453 0.117 19766 5367 1 9 . 1 1 26 26 ASP C C 26 178.135 178.135 178.328 -0.193 19766 5368 1 9 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.400 0.412 19766 5369 1 9 . 1 1 26 26 ASP CB C 26 41.885 41.885 40.979 0.906 19766 5370 1 9 . 1 1 26 26 ASP H H 26 7.960 7.960 7.836 0.124 19766 5371 1 9 . 1 1 27 27 ILE N N 27 118.853 118.853 120.832 -1.979 19766 5372 1 9 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.770 -0.163 19766 5373 1 9 . 1 1 27 27 ILE C C 27 178.424 178.424 177.932 0.492 19766 5374 1 9 . 1 1 27 27 ILE CA C 27 65.741 65.741 64.916 0.825 19766 5375 1 9 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.684 0.028 19766 5376 1 9 . 1 1 27 27 ILE H H 27 8.159 8.159 7.629 0.530 19766 5377 1 9 . 1 1 28 28 LEU N N 28 118.549 118.549 119.747 -1.198 19766 5378 1 9 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.865 0.039 19766 5379 1 9 . 1 1 28 28 LEU C C 28 180.057 180.057 179.545 0.512 19766 5380 1 9 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.725 -0.195 19766 5381 1 9 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.070 0.875 19766 5382 1 9 . 1 1 28 28 LEU H H 28 8.414 8.414 8.442 -0.028 19766 5383 1 9 . 1 1 29 29 THR N N 29 122.156 122.156 114.193 7.963 19766 5384 1 9 . 1 1 29 29 THR HA H 29 4.032 4.032 3.894 0.138 19766 5385 1 9 . 1 1 29 29 THR C C 29 175.113 175.113 175.886 -0.773 19766 5386 1 9 . 1 1 29 29 THR CA C 29 66.754 66.754 66.056 0.698 19766 5387 1 9 . 1 1 29 29 THR CB C 29 68.490 68.490 68.796 -0.306 19766 5388 1 9 . 1 1 29 29 THR H H 29 8.715 8.715 7.935 0.780 19766 5389 1 9 . 1 1 30 30 VAL N N 30 116.487 116.487 119.325 -2.838 19766 5390 1 9 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.730 0.101 19766 5391 1 9 . 1 1 30 30 VAL C C 30 179.968 179.968 177.776 2.192 19766 5392 1 9 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.571 -0.056 19766 5393 1 9 . 1 1 30 30 VAL CB C 30 33.044 33.044 32.141 0.903 19766 5394 1 9 . 1 1 30 30 VAL H H 30 7.713 7.713 7.615 0.098 19766 5395 1 9 . 1 1 31 31 PHE N N 31 113.658 113.658 119.129 -5.471 19766 5396 1 9 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.287 -0.420 19766 5397 1 9 . 1 1 31 31 PHE C C 31 179.577 179.577 177.063 2.514 19766 5398 1 9 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.031 2.373 19766 5399 1 9 . 1 1 31 31 PHE CB C 31 37.313 37.313 37.903 -0.590 19766 5400 1 9 . 1 1 31 31 PHE H H 31 8.876 8.876 9.081 -0.205 19766 5401 1 9 . 1 1 32 32 SER N N 32 118.635 118.635 114.244 4.391 19766 5402 1 9 . 1 1 32 32 SER HA H 32 5.381 5.381 4.564 0.817 19766 5403 1 9 . 1 1 32 32 SER C C 32 172.662 172.662 174.873 -2.211 19766 5404 1 9 . 1 1 32 32 SER CA C 32 61.338 61.338 59.982 1.356 19766 5405 1 9 . 1 1 32 32 SER CB C 32 63.875 63.875 62.954 0.921 19766 5406 1 9 . 1 1 32 32 SER H H 32 8.106 8.106 7.950 0.156 19766 5407 1 9 . 1 1 33 33 GLU N N 33 121.234 121.234 121.107 0.127 19766 5408 1 9 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.982 -1.825 19766 5409 1 9 . 1 1 33 33 GLU C C 33 174.223 174.223 178.114 -3.891 19766 5410 1 9 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.845 0.795 19766 5411 1 9 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.601 -1.770 19766 5412 1 9 . 1 1 33 33 GLU H H 33 6.964 6.964 7.442 -0.478 19766 5413 1 9 . 1 1 34 34 TYR N N 34 107.930 107.930 115.017 -7.087 19766 5414 1 9 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.795 -0.642 19766 5415 1 9 . 1 1 34 34 TYR C C 34 173.208 173.208 176.210 -3.002 19766 5416 1 9 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.609 -0.280 19766 5417 1 9 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.508 -0.630 19766 5418 1 9 . 1 1 34 34 TYR H H 34 6.229 6.229 7.320 -1.091 19766 5419 1 9 . 1 1 35 35 GLY N N 35 103.542 103.542 106.432 -2.890 19766 5420 1 9 . 1 1 35 35 GLY C C 35 170.379 170.379 171.572 -1.193 19766 5421 1 9 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.577 0.102 19766 5422 1 9 . 1 1 35 35 GLY H H 35 7.257 7.257 6.734 0.523 19766 5423 1 9 . 1 1 36 36 VAL N N 36 120.446 120.446 120.861 -0.415 19766 5424 1 9 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.214 0.290 19766 5425 1 9 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.657 0.058 19766 5426 1 9 . 1 1 36 36 VAL CB C 36 34.031 34.031 32.828 1.203 19766 5427 1 9 . 1 1 36 36 VAL H H 36 8.438 8.438 8.221 0.217 19766 5428 1 9 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.512 0.191 19766 5429 1 9 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.819 -0.445 19766 5430 1 9 . 1 1 37 37 PRO CB C 37 32.071 32.071 32.213 -0.142 19766 5431 1 9 . 1 1 38 38 VAL N N 38 113.929 113.929 119.817 -5.888 19766 5432 1 9 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.176 0.306 19766 5433 1 9 . 1 1 38 38 VAL CA C 38 60.454 60.454 63.266 -2.812 19766 5434 1 9 . 1 1 38 38 VAL CB C 38 32.504 32.504 33.064 -0.560 19766 5435 1 9 . 1 1 38 38 VAL H H 38 8.966 8.966 7.942 1.024 19766 5436 1 9 . 1 1 39 39 ASP N N 39 118.213 118.213 118.667 -0.454 19766 5437 1 9 . 1 1 39 39 ASP HA H 39 4.675 4.675 5.015 -0.340 19766 5438 1 9 . 1 1 39 39 ASP C C 39 174.637 174.637 174.257 0.380 19766 5439 1 9 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.575 1.113 19766 5440 1 9 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.178 -0.372 19766 5441 1 9 . 1 1 39 39 ASP H H 39 7.500 7.500 7.908 -0.408 19766 5442 1 9 . 1 1 40 40 VAL N N 40 121.576 121.576 123.424 -1.848 19766 5443 1 9 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.122 -0.131 19766 5444 1 9 . 1 1 40 40 VAL C C 40 170.562 170.562 173.734 -3.172 19766 5445 1 9 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.113 0.245 19766 5446 1 9 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.808 -0.589 19766 5447 1 9 . 1 1 40 40 VAL H H 40 7.657 7.657 8.700 -1.043 19766 5448 1 9 . 1 1 41 41 ILE N N 41 125.384 125.384 122.309 3.075 19766 5449 1 9 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.772 0.046 19766 5450 1 9 . 1 1 41 41 ILE C C 41 175.425 175.425 173.093 2.332 19766 5451 1 9 . 1 1 41 41 ILE CA C 41 61.490 61.490 58.817 2.673 19766 5452 1 9 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.251 1.305 19766 5453 1 9 . 1 1 41 41 ILE H H 41 8.901 8.901 8.997 -0.096 19766 5454 1 9 . 1 1 42 42 LEU N N 42 128.888 128.888 125.735 3.153 19766 5455 1 9 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.697 -0.236 19766 5456 1 9 . 1 1 42 42 LEU C C 42 174.934 174.934 175.723 -0.789 19766 5457 1 9 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.247 0.130 19766 5458 1 9 . 1 1 42 42 LEU CB C 42 43.539 43.539 44.146 -0.607 19766 5459 1 9 . 1 1 42 42 LEU H H 42 8.344 8.344 8.821 -0.477 19766 5460 1 9 . 1 1 43 43 SER N N 43 122.818 122.818 119.865 2.953 19766 5461 1 9 . 1 1 43 43 SER HA H 43 3.876 3.876 4.660 -0.784 19766 5462 1 9 . 1 1 43 43 SER C C 43 173.869 173.869 173.005 0.864 19766 5463 1 9 . 1 1 43 43 SER CA C 43 59.688 59.688 57.744 1.944 19766 5464 1 9 . 1 1 43 43 SER CB C 43 62.673 62.673 63.237 -0.564 19766 5465 1 9 . 1 1 43 43 SER H H 43 8.362 8.362 9.110 -0.748 19766 5466 1 9 . 1 1 44 44 ARG N N 44 128.045 128.045 125.849 2.196 19766 5467 1 9 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.060 -0.231 19766 5468 1 9 . 1 1 44 44 ARG C C 44 175.031 175.031 174.587 0.444 19766 5469 1 9 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.031 1.031 19766 5470 1 9 . 1 1 44 44 ARG CB C 44 34.298 34.298 32.867 1.431 19766 5471 1 9 . 1 1 44 44 ARG H H 44 8.079 8.079 7.754 0.325 19766 5472 1 9 . 1 1 45 45 ASP N N 45 123.491 123.491 121.113 2.378 19766 5473 1 9 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.544 -0.307 19766 5474 1 9 . 1 1 45 45 ASP C C 45 177.487 177.487 177.295 0.192 19766 5475 1 9 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.197 0.720 19766 5476 1 9 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.963 0.648 19766 5477 1 9 . 1 1 45 45 ASP H H 45 8.663 8.663 8.442 0.221 19766 5478 1 9 . 1 1 46 46 GLU N N 46 125.446 125.446 126.577 -1.131 19766 5479 1 9 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.028 -0.121 19766 5480 1 9 . 1 1 46 46 GLU C C 46 175.655 175.655 176.923 -1.268 19766 5481 1 9 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.597 0.276 19766 5482 1 9 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.818 -0.164 19766 5483 1 9 . 1 1 46 46 GLU H H 46 9.007 9.007 8.829 0.178 19766 5484 1 9 . 1 1 47 47 ASN N N 47 115.343 115.343 116.474 -1.131 19766 5485 1 9 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.687 0.197 19766 5486 1 9 . 1 1 47 47 ASN C C 47 176.665 176.665 176.950 -0.285 19766 5487 1 9 . 1 1 47 47 ASN CA C 47 54.939 54.939 55.270 -0.332 19766 5488 1 9 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.377 0.853 19766 5489 1 9 . 1 1 47 47 ASN H H 47 8.947 8.947 8.649 0.298 19766 5490 1 9 . 1 1 48 48 THR N N 48 107.604 107.604 112.231 -4.627 19766 5491 1 9 . 1 1 48 48 THR HA H 48 4.468 4.468 4.505 -0.037 19766 5492 1 9 . 1 1 48 48 THR C C 48 176.465 176.465 175.198 1.267 19766 5493 1 9 . 1 1 48 48 THR CA C 48 61.555 61.555 61.840 -0.285 19766 5494 1 9 . 1 1 48 48 THR CB C 48 71.342 71.342 70.039 1.303 19766 5495 1 9 . 1 1 48 48 THR H H 48 8.450 8.450 8.053 0.397 19766 5496 1 9 . 1 1 49 49 GLY N N 49 111.809 111.809 111.171 0.638 19766 5497 1 9 . 1 1 49 49 GLY C C 49 173.193 173.193 173.636 -0.443 19766 5498 1 9 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.812 -0.089 19766 5499 1 9 . 1 1 49 49 GLY H H 49 8.632 8.632 7.898 0.734 19766 5500 1 9 . 1 1 50 50 GLU N N 50 120.089 120.089 117.772 2.317 19766 5501 1 9 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.444 -0.311 19766 5502 1 9 . 1 1 50 50 GLU C C 50 176.586 176.586 175.816 0.770 19766 5503 1 9 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.383 2.149 19766 5504 1 9 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.731 0.353 19766 5505 1 9 . 1 1 50 50 GLU H H 50 7.825 7.825 7.610 0.215 19766 5506 1 9 . 1 1 51 51 SER N N 51 115.686 115.686 118.656 -2.970 19766 5507 1 9 . 1 1 51 51 SER HA H 51 4.273 4.273 4.299 -0.026 19766 5508 1 9 . 1 1 51 51 SER C C 51 176.516 176.516 175.128 1.388 19766 5509 1 9 . 1 1 51 51 SER CA C 51 58.415 58.415 58.747 -0.332 19766 5510 1 9 . 1 1 51 51 SER CB C 51 64.668 64.668 63.514 1.154 19766 5511 1 9 . 1 1 51 51 SER H H 51 8.871 8.871 8.913 -0.042 19766 5512 1 9 . 1 1 52 52 GLN N N 52 123.284 123.284 126.843 -3.559 19766 5513 1 9 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.507 -0.016 19766 5514 1 9 . 1 1 52 52 GLN C C 52 177.471 177.471 176.722 0.749 19766 5515 1 9 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.125 0.022 19766 5516 1 9 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.884 -0.004 19766 5517 1 9 . 1 1 52 52 GLN H H 52 9.103 9.103 8.960 0.143 19766 5518 1 9 . 1 1 53 53 GLY N N 53 105.865 105.865 107.960 -2.095 19766 5519 1 9 . 1 1 53 53 GLY C C 53 172.010 172.010 172.755 -0.745 19766 5520 1 9 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.265 1.380 19766 5521 1 9 . 1 1 53 53 GLY H H 53 8.888 8.888 7.764 1.124 19766 5522 1 9 . 1 1 54 54 PHE N N 54 112.097 112.097 117.679 -5.582 19766 5523 1 9 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.164 0.182 19766 5524 1 9 . 1 1 54 54 PHE C C 54 171.548 171.548 173.195 -1.647 19766 5525 1 9 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.330 -0.658 19766 5526 1 9 . 1 1 54 54 PHE CB C 54 40.680 40.680 43.244 -2.564 19766 5527 1 9 . 1 1 54 54 PHE H H 54 6.879 6.879 7.271 -0.392 19766 5528 1 9 . 1 1 55 55 ALA N N 55 122.332 122.332 120.554 1.778 19766 5529 1 9 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.987 0.136 19766 5530 1 9 . 1 1 55 55 ALA C C 55 173.074 173.074 174.401 -1.327 19766 5531 1 9 . 1 1 55 55 ALA CA C 55 49.529 49.529 51.142 -1.613 19766 5532 1 9 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.605 3.134 19766 5533 1 9 . 1 1 55 55 ALA H H 55 9.051 9.051 8.870 0.181 19766 5534 1 9 . 1 1 56 56 TYR N N 56 115.022 115.022 116.023 -1.001 19766 5535 1 9 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.884 -0.210 19766 5536 1 9 . 1 1 56 56 TYR C C 56 175.292 175.292 174.272 1.020 19766 5537 1 9 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.829 -1.248 19766 5538 1 9 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.364 -1.017 19766 5539 1 9 . 1 1 56 56 TYR H H 56 9.007 9.007 9.163 -0.156 19766 5540 1 9 . 1 1 57 57 LEU N N 57 122.695 122.695 121.089 1.606 19766 5541 1 9 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.588 -0.829 19766 5542 1 9 . 1 1 57 57 LEU C C 57 172.173 172.173 174.165 -1.992 19766 5543 1 9 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.937 0.879 19766 5544 1 9 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.753 0.153 19766 5545 1 9 . 1 1 57 57 LEU H H 57 8.648 8.648 8.954 -0.306 19766 5546 1 9 . 1 1 58 58 LYS N N 58 125.954 125.954 118.378 7.576 19766 5547 1 9 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.868 -0.403 19766 5548 1 9 . 1 1 58 58 LYS C C 58 174.900 174.900 174.175 0.725 19766 5549 1 9 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.118 -0.495 19766 5550 1 9 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.582 0.964 19766 5551 1 9 . 1 1 58 58 LYS H H 58 7.948 7.948 8.876 -0.928 19766 5552 1 9 . 1 1 59 59 TYR N N 59 126.396 126.396 125.432 0.964 19766 5553 1 9 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.661 0.439 19766 5554 1 9 . 1 1 59 59 TYR CA C 59 57.974 57.974 57.724 0.250 19766 5555 1 9 . 1 1 59 59 TYR CB C 59 42.498 42.498 40.779 1.720 19766 5556 1 9 . 1 1 59 59 TYR H H 59 9.007 9.007 7.956 1.051 19766 5557 1 9 . 1 1 60 60 GLU N N 60 120.848 120.848 119.684 1.164 19766 5558 1 9 . 1 1 60 60 GLU HA H 60 3.873 3.873 3.889 -0.016 19766 5559 1 9 . 1 1 60 60 GLU C C 60 175.081 175.081 175.875 -0.794 19766 5560 1 9 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.506 0.547 19766 5561 1 9 . 1 1 60 60 GLU CB C 60 30.867 30.867 29.732 1.135 19766 5562 1 9 . 1 1 60 60 GLU H H 60 8.973 8.973 7.951 1.022 19766 5563 1 9 . 1 1 61 61 ASP N N 61 117.604 117.604 117.127 0.477 19766 5564 1 9 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.714 0.152 19766 5565 1 9 . 1 1 61 61 ASP C C 61 176.598 176.598 176.778 -0.180 19766 5566 1 9 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.978 -2.866 19766 5567 1 9 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.145 1.279 19766 5568 1 9 . 1 1 61 61 ASP H H 61 8.017 8.017 7.523 0.494 19766 5569 1 9 . 1 1 62 62 GLN N N 62 126.427 126.427 126.633 -0.206 19766 5570 1 9 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.159 0.111 19766 5571 1 9 . 1 1 62 62 GLN C C 62 178.514 178.514 177.558 0.956 19766 5572 1 9 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.938 -0.433 19766 5573 1 9 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.885 -0.912 19766 5574 1 9 . 1 1 62 62 GLN H H 62 9.007 9.007 9.011 -0.004 19766 5575 1 9 . 1 1 63 63 ARG N N 63 121.369 121.369 119.183 2.186 19766 5576 1 9 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.153 -0.433 19766 5577 1 9 . 1 1 63 63 ARG C C 63 178.566 178.566 178.796 -0.230 19766 5578 1 9 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.029 0.053 19766 5579 1 9 . 1 1 63 63 ARG H H 63 9.013 9.013 7.944 1.069 19766 5580 1 9 . 1 1 64 64 SER N N 64 115.216 115.216 115.128 0.088 19766 5581 1 9 . 1 1 64 64 SER HA H 64 3.746 3.746 4.244 -0.498 19766 5582 1 9 . 1 1 64 64 SER C C 64 175.695 175.695 176.172 -0.477 19766 5583 1 9 . 1 1 64 64 SER CA C 64 63.651 63.651 61.400 2.251 19766 5584 1 9 . 1 1 64 64 SER H H 64 8.207 8.207 8.461 -0.254 19766 5585 1 9 . 1 1 65 65 THR N N 65 111.402 111.402 119.901 -8.499 19766 5586 1 9 . 1 1 65 65 THR HA H 65 3.785 3.785 4.087 -0.302 19766 5587 1 9 . 1 1 65 65 THR C C 65 175.556 175.556 176.482 -0.926 19766 5588 1 9 . 1 1 65 65 THR CA C 65 66.178 66.178 67.290 -1.112 19766 5589 1 9 . 1 1 65 65 THR CB C 65 68.414 68.414 68.819 -0.405 19766 5590 1 9 . 1 1 65 65 THR H H 65 7.640 7.640 7.489 0.151 19766 5591 1 9 . 1 1 66 66 ILE N N 66 122.905 122.905 121.740 1.165 19766 5592 1 9 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.903 -0.201 19766 5593 1 9 . 1 1 66 66 ILE C C 66 177.292 177.292 177.979 -0.687 19766 5594 1 9 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.053 -0.799 19766 5595 1 9 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.798 0.601 19766 5596 1 9 . 1 1 66 66 ILE H H 66 6.702 6.702 7.807 -1.105 19766 5597 1 9 . 1 1 67 67 LEU N N 67 114.425 114.425 120.591 -6.166 19766 5598 1 9 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.898 -0.168 19766 5599 1 9 . 1 1 67 67 LEU C C 67 179.641 179.641 177.916 1.725 19766 5600 1 9 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.390 0.197 19766 5601 1 9 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.122 0.560 19766 5602 1 9 . 1 1 67 67 LEU H H 67 6.975 6.975 7.702 -0.727 19766 5603 1 9 . 1 1 68 68 ALA N N 68 120.639 120.639 121.642 -1.003 19766 5604 1 9 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.644 -0.209 19766 5605 1 9 . 1 1 68 68 ALA C C 68 179.087 179.087 179.717 -0.630 19766 5606 1 9 . 1 1 68 68 ALA CA C 68 55.736 55.736 55.053 0.683 19766 5607 1 9 . 1 1 68 68 ALA CB C 68 19.013 19.013 17.933 1.080 19766 5608 1 9 . 1 1 68 68 ALA H H 68 8.225 8.225 7.382 0.843 19766 5609 1 9 . 1 1 69 69 VAL N N 69 118.866 118.866 116.590 2.276 19766 5610 1 9 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.709 -0.470 19766 5611 1 9 . 1 1 69 69 VAL C C 69 178.798 178.798 177.542 1.256 19766 5612 1 9 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.322 0.703 19766 5613 1 9 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.482 0.355 19766 5614 1 9 . 1 1 69 69 VAL H H 69 8.162 8.162 7.431 0.731 19766 5615 1 9 . 1 1 70 70 ASP N N 70 117.230 117.230 117.240 -0.010 19766 5616 1 9 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.491 -0.437 19766 5617 1 9 . 1 1 70 70 ASP C C 70 178.297 178.297 176.972 1.325 19766 5618 1 9 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.596 0.673 19766 5619 1 9 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.622 -2.000 19766 5620 1 9 . 1 1 70 70 ASP H H 70 8.262 8.262 7.784 0.478 19766 5621 1 9 . 1 1 71 71 ASN N N 71 111.214 111.214 115.830 -4.616 19766 5622 1 9 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.658 0.205 19766 5623 1 9 . 1 1 71 71 ASN C C 71 176.614 176.614 177.049 -0.435 19766 5624 1 9 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.934 0.667 19766 5625 1 9 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.573 2.027 19766 5626 1 9 . 1 1 71 71 ASN H H 71 7.541 7.541 7.997 -0.456 19766 5627 1 9 . 1 1 72 72 LEU N N 72 116.127 116.127 119.345 -3.218 19766 5628 1 9 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.162 0.487 19766 5629 1 9 . 1 1 72 72 LEU C C 72 177.465 177.465 176.396 1.069 19766 5630 1 9 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.385 -1.034 19766 5631 1 9 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.992 0.556 19766 5632 1 9 . 1 1 72 72 LEU H H 72 8.323 8.323 7.351 0.972 19766 5633 1 9 . 1 1 73 73 ASN N N 73 118.792 118.792 117.212 1.580 19766 5634 1 9 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.625 -0.214 19766 5635 1 9 . 1 1 73 73 ASN C C 73 177.085 177.085 176.263 0.822 19766 5636 1 9 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.807 1.747 19766 5637 1 9 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.549 0.909 19766 5638 1 9 . 1 1 73 73 ASN H H 73 6.965 6.965 7.560 -0.595 19766 5639 1 9 . 1 1 74 74 GLY N N 74 115.779 115.779 113.930 1.849 19766 5640 1 9 . 1 1 74 74 GLY C C 74 172.848 172.848 173.639 -0.791 19766 5641 1 9 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.932 0.826 19766 5642 1 9 . 1 1 74 74 GLY H H 74 9.389 9.389 9.012 0.377 19766 5643 1 9 . 1 1 75 75 PHE N N 75 123.194 123.194 123.044 0.150 19766 5644 1 9 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.466 -0.179 19766 5645 1 9 . 1 1 75 75 PHE C C 75 174.778 174.778 174.079 0.699 19766 5646 1 9 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.509 1.364 19766 5647 1 9 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.477 1.125 19766 5648 1 9 . 1 1 75 75 PHE H H 75 8.133 8.133 7.907 0.226 19766 5649 1 9 . 1 1 76 76 LYS N N 76 127.364 127.364 128.133 -0.769 19766 5650 1 9 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.405 0.266 19766 5651 1 9 . 1 1 76 76 LYS C C 76 175.286 175.286 175.557 -0.271 19766 5652 1 9 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.803 0.449 19766 5653 1 9 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.189 1.012 19766 5654 1 9 . 1 1 76 76 LYS H H 76 7.596 7.596 8.088 -0.492 19766 5655 1 9 . 1 1 77 77 ILE N N 77 120.094 120.094 128.340 -8.246 19766 5656 1 9 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.273 0.085 19766 5657 1 9 . 1 1 77 77 ILE C C 77 177.519 177.519 175.755 1.764 19766 5658 1 9 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.817 -0.314 19766 5659 1 9 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.232 1.404 19766 5660 1 9 . 1 1 77 77 ILE H H 77 8.004 8.004 9.079 -1.075 19766 5661 1 9 . 1 1 78 78 GLY N N 78 119.932 119.932 116.666 3.266 19766 5662 1 9 . 1 1 78 78 GLY C C 78 175.944 175.944 174.969 0.975 19766 5663 1 9 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.097 2.122 19766 5664 1 9 . 1 1 78 78 GLY H H 78 10.183 10.183 9.080 1.103 19766 5665 1 9 . 1 1 79 79 GLY N N 79 104.505 104.505 106.090 -1.585 19766 5666 1 9 . 1 1 79 79 GLY C C 79 173.347 173.347 174.126 -0.779 19766 5667 1 9 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.967 0.125 19766 5668 1 9 . 1 1 79 79 GLY H H 79 8.892 8.892 8.461 0.431 19766 5669 1 9 . 1 1 80 80 ARG N N 80 119.144 119.144 121.838 -2.694 19766 5670 1 9 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.575 0.091 19766 5671 1 9 . 1 1 80 80 ARG C C 80 174.693 174.693 174.075 0.618 19766 5672 1 9 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.480 0.198 19766 5673 1 9 . 1 1 80 80 ARG CB C 80 33.407 33.407 33.105 0.302 19766 5674 1 9 . 1 1 80 80 ARG H H 80 7.281 7.281 7.488 -0.207 19766 5675 1 9 . 1 1 81 81 ALA N N 81 126.229 126.229 126.860 -0.631 19766 5676 1 9 . 1 1 81 81 ALA HA H 81 4.201 4.201 4.969 -0.768 19766 5677 1 9 . 1 1 81 81 ALA C C 81 176.967 176.967 177.073 -0.106 19766 5678 1 9 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.847 0.282 19766 5679 1 9 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.917 -0.717 19766 5680 1 9 . 1 1 81 81 ALA H H 81 8.673 8.673 8.461 0.212 19766 5681 1 9 . 1 1 82 82 LEU N N 82 125.471 125.471 120.825 4.646 19766 5682 1 9 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.898 -0.474 19766 5683 1 9 . 1 1 82 82 LEU C C 82 177.436 177.436 176.184 1.252 19766 5684 1 9 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.348 1.802 19766 5685 1 9 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.453 0.820 19766 5686 1 9 . 1 1 82 82 LEU H H 82 8.702 8.702 8.104 0.598 19766 5687 1 9 . 1 1 83 83 LYS N N 83 123.609 123.609 123.255 0.354 19766 5688 1 9 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.163 -0.158 19766 5689 1 9 . 1 1 83 83 LYS C C 83 174.759 174.759 175.198 -0.439 19766 5690 1 9 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.200 0.584 19766 5691 1 9 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.353 0.093 19766 5692 1 9 . 1 1 83 83 LYS H H 83 7.853 7.853 8.885 -1.032 19766 5693 1 9 . 1 1 84 84 ILE N N 84 125.547 125.547 127.960 -2.413 19766 5694 1 9 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.601 0.098 19766 5695 1 9 . 1 1 84 84 ILE C C 84 174.989 174.989 175.675 -0.686 19766 5696 1 9 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.996 -1.577 19766 5697 1 9 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.930 -0.563 19766 5698 1 9 . 1 1 84 84 ILE H H 84 8.719 8.719 9.081 -0.362 19766 5699 1 9 . 1 1 85 85 ASP N N 85 124.650 124.650 124.075 0.575 19766 5700 1 9 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.978 0.026 19766 5701 1 9 . 1 1 85 85 ASP C C 85 175.302 175.302 174.235 1.067 19766 5702 1 9 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.745 -0.264 19766 5703 1 9 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.777 0.692 19766 5704 1 9 . 1 1 85 85 ASP H H 85 8.826 8.826 8.743 0.083 19766 5705 1 9 . 1 1 86 86 HIS N N 86 121.936 121.936 118.874 3.062 19766 5706 1 9 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.368 -0.665 19766 5707 1 9 . 1 1 86 86 HIS C C 86 175.216 175.216 175.299 -0.083 19766 5708 1 9 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.528 1.416 19766 5709 1 9 . 1 1 86 86 HIS CB C 86 31.480 31.480 30.518 0.962 19766 5710 1 9 . 1 1 86 86 HIS H H 86 8.909 8.909 8.783 0.126 19766 5711 1 9 . 1 1 87 87 THR N N 87 116.612 116.612 118.464 -1.852 19766 5712 1 9 . 1 1 87 87 THR HA H 87 4.688 4.688 4.745 -0.057 19766 5713 1 9 . 1 1 87 87 THR CA C 87 61.030 61.030 60.624 0.406 19766 5714 1 9 . 1 1 87 87 THR CB C 87 69.903 69.903 71.780 -1.877 19766 5715 1 9 . 1 1 87 87 THR H H 87 8.521 8.521 9.214 -0.693 19766 5716 1 9 . 1 1 88 88 PHE N N 88 123.233 123.233 123.170 0.063 19766 5717 1 9 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.950 0.344 19766 5718 1 9 . 1 1 88 88 PHE C C 88 176.452 176.452 173.846 2.606 19766 5719 1 9 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.371 -1.438 19766 5720 1 9 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.176 -0.063 19766 5721 1 9 . 1 1 88 88 PHE H H 88 8.145 8.145 8.464 -0.319 19766 5722 1 9 . 1 1 89 89 TYR N N 89 122.872 122.872 123.467 -0.595 19766 5723 1 9 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.747 -0.673 19766 5724 1 9 . 1 1 89 89 TYR C C 89 173.089 173.089 173.409 -0.320 19766 5725 1 9 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.334 2.195 19766 5726 1 9 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.757 0.051 19766 5727 1 9 . 1 1 89 89 TYR H H 89 8.242 8.242 7.422 0.820 19766 5728 1 9 . 1 1 90 90 ARG N N 90 128.867 128.867 122.658 6.209 19766 5729 1 9 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.130 0.299 19766 5730 1 9 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.386 -1.818 19766 5731 1 9 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.452 1.542 19766 5732 1 9 . 1 1 90 90 ARG H H 90 7.018 7.018 8.461 -1.443 19766 5733 1 9 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.007 0.183 19766 5734 1 9 . 1 1 91 91 PRO C C 91 176.284 176.284 176.325 -0.041 19766 5735 1 9 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.145 0.344 19766 5736 1 9 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.654 1.393 19766 5737 1 9 . 1 1 92 92 LYS N N 92 119.987 119.987 123.374 -3.387 19766 5738 1 9 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.246 0.436 19766 5739 1 9 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.088 -1.401 19766 5740 1 9 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.148 1.911 19766 5741 1 9 . 1 1 92 92 LYS H H 92 8.672 8.672 8.111 0.561 19766 5742 1 9 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.139 0.035 19766 5743 1 9 . 1 1 93 93 ARG C C 93 178.848 178.848 178.863 -0.015 19766 5744 1 9 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.891 0.302 19766 5745 1 9 . 1 1 93 93 ARG CB C 93 29.796 29.796 30.037 -0.241 19766 5746 1 9 . 1 1 94 94 SER N N 94 112.252 112.252 114.512 -2.260 19766 5747 1 9 . 1 1 94 94 SER HA H 94 4.266 4.266 4.317 -0.051 19766 5748 1 9 . 1 1 94 94 SER C C 94 175.827 175.827 175.392 0.435 19766 5749 1 9 . 1 1 94 94 SER CA C 94 60.087 60.087 60.571 -0.484 19766 5750 1 9 . 1 1 94 94 SER CB C 94 62.266 62.266 62.732 -0.466 19766 5751 1 9 . 1 1 94 94 SER H H 94 8.353 8.353 8.451 -0.098 19766 5752 1 9 . 1 1 95 95 LEU N N 95 122.261 122.261 120.805 1.456 19766 5753 1 9 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.618 0.047 19766 5754 1 9 . 1 1 95 95 LEU C C 95 175.444 175.444 177.726 -2.282 19766 5755 1 9 . 1 1 95 95 LEU CA C 95 54.104 54.104 54.305 -0.201 19766 5756 1 9 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.160 0.752 19766 5757 1 9 . 1 1 95 95 LEU H H 95 7.229 7.229 7.760 -0.531 19766 5758 1 9 . 1 1 96 96 GLN N N 96 118.873 118.873 120.713 -1.840 19766 5759 1 9 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.176 -0.083 19766 5760 1 9 . 1 1 96 96 GLN C C 96 177.668 177.668 177.467 0.201 19766 5761 1 9 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.021 1.689 19766 5762 1 9 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.335 0.646 19766 5763 1 9 . 1 1 96 96 GLN H H 96 7.390 7.390 7.916 -0.526 19766 5764 1 9 . 1 1 97 97 LYS N N 97 116.416 116.416 119.116 -2.700 19766 5765 1 9 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.089 0.028 19766 5766 1 9 . 1 1 97 97 LYS C C 97 179.237 179.237 179.225 0.012 19766 5767 1 9 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.272 1.121 19766 5768 1 9 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.640 -0.124 19766 5769 1 9 . 1 1 97 97 LYS H H 97 8.595 8.595 8.430 0.165 19766 5770 1 9 . 1 1 98 98 TYR N N 98 123.922 123.922 122.111 1.811 19766 5771 1 9 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.146 -0.009 19766 5772 1 9 . 1 1 98 98 TYR C C 98 177.309 177.309 177.655 -0.346 19766 5773 1 9 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.216 0.013 19766 5774 1 9 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.581 -1.291 19766 5775 1 9 . 1 1 98 98 TYR H H 98 7.558 7.558 8.117 -0.559 19766 5776 1 9 . 1 1 99 99 TYR N N 99 118.047 118.047 118.166 -0.119 19766 5777 1 9 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.180 0.928 19766 5778 1 9 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.123 -4.226 19766 5779 1 9 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.378 -1.156 19766 5780 1 9 . 1 1 99 99 TYR H H 99 8.624 8.624 7.942 0.682 19766 5781 1 9 . 1 1 100 100 GLU N N 100 118.804 118.804 118.418 0.386 19766 5782 1 9 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.998 0.068 19766 5783 1 9 . 1 1 100 100 GLU C C 100 178.595 178.595 178.411 0.184 19766 5784 1 9 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.333 0.152 19766 5785 1 9 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.118 0.677 19766 5786 1 9 . 1 1 100 100 GLU H H 100 8.348 8.348 8.935 -0.587 19766 5787 1 9 . 1 1 101 101 ALA N N 101 123.315 123.315 122.121 1.194 19766 5788 1 9 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.018 0.277 19766 5789 1 9 . 1 1 101 101 ALA C C 101 181.438 181.438 179.800 1.638 19766 5790 1 9 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.710 0.148 19766 5791 1 9 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.364 0.313 19766 5792 1 9 . 1 1 101 101 ALA H H 101 7.963 7.963 7.666 0.297 19766 5793 1 9 . 1 1 102 102 VAL N N 102 120.092 120.092 118.768 1.324 19766 5794 1 9 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.517 0.260 19766 5795 1 9 . 1 1 102 102 VAL C C 102 176.958 176.958 177.640 -0.682 19766 5796 1 9 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.894 0.511 19766 5797 1 9 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.646 0.190 19766 5798 1 9 . 1 1 102 102 VAL H H 102 8.321 8.321 7.589 0.732 19766 5799 1 9 . 1 1 103 103 LYS N N 103 120.226 120.226 118.423 1.803 19766 5800 1 9 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.230 -0.304 19766 5801 1 9 . 1 1 103 103 LYS C C 103 178.354 178.354 178.879 -0.525 19766 5802 1 9 . 1 1 103 103 LYS CA C 103 59.683 59.683 58.949 0.734 19766 5803 1 9 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.974 0.202 19766 5804 1 9 . 1 1 103 103 LYS H H 103 8.266 8.266 7.775 0.491 19766 5805 1 9 . 1 1 104 104 GLU N N 104 116.521 116.521 118.538 -2.017 19766 5806 1 9 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.139 -0.178 19766 5807 1 9 . 1 1 104 104 GLU C C 104 178.628 178.628 177.200 1.428 19766 5808 1 9 . 1 1 104 104 GLU CA C 104 59.110 59.110 58.391 0.720 19766 5809 1 9 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.007 0.718 19766 5810 1 9 . 1 1 104 104 GLU H H 104 8.027 8.027 8.510 -0.483 19766 5811 1 9 . 1 1 105 105 GLU N N 105 118.569 118.569 117.850 0.719 19766 5812 1 9 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.299 -0.399 19766 5813 1 9 . 1 1 105 105 GLU C C 105 178.399 178.399 179.229 -0.830 19766 5814 1 9 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.614 0.652 19766 5815 1 9 . 1 1 105 105 GLU CB C 105 29.773 29.773 30.104 -0.331 19766 5816 1 9 . 1 1 105 105 GLU H H 105 7.225 7.225 7.466 -0.241 19766 5817 1 9 . 1 1 106 106 LEU N N 106 116.938 116.938 120.940 -4.002 19766 5818 1 9 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.009 0.024 19766 5819 1 9 . 1 1 106 106 LEU C C 106 179.770 179.770 179.198 0.572 19766 5820 1 9 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.705 -0.780 19766 5821 1 9 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.738 -1.453 19766 5822 1 9 . 1 1 106 106 LEU H H 106 8.273 8.273 7.765 0.508 19766 5823 1 9 . 1 1 107 107 ASP N N 107 119.855 119.855 117.533 2.322 19766 5824 1 9 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.400 0.148 19766 5825 1 9 . 1 1 107 107 ASP C C 107 177.891 177.891 177.730 0.161 19766 5826 1 9 . 1 1 107 107 ASP CA C 107 55.933 55.933 56.587 -0.654 19766 5827 1 9 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.659 0.055 19766 5828 1 9 . 1 1 107 107 ASP H H 107 8.286 8.286 8.631 -0.345 19766 5829 1 9 . 1 1 108 108 ARG N N 108 118.853 118.853 116.986 1.867 19766 5830 1 9 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.158 -0.077 19766 5831 1 9 . 1 1 108 108 ARG C C 108 177.325 177.325 177.799 -0.474 19766 5832 1 9 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.738 0.271 19766 5833 1 9 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.942 0.462 19766 5834 1 9 . 1 1 108 108 ARG H H 108 7.406 7.406 7.566 -0.160 19766 5835 1 9 . 1 1 109 109 ASP N N 109 119.636 119.636 116.982 2.654 19766 5836 1 9 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.679 -0.144 19766 5837 1 9 . 1 1 109 109 ASP C C 109 176.758 176.758 177.543 -0.785 19766 5838 1 9 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.587 -0.349 19766 5839 1 9 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.423 -0.678 19766 5840 1 9 . 1 1 109 109 ASP H H 109 7.853 7.853 7.804 0.049 19766 5841 1 9 . 1 1 110 110 ILE N N 110 119.905 119.905 119.563 0.342 19766 5842 1 9 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.149 -0.045 19766 5843 1 9 . 1 1 110 110 ILE C C 110 176.642 176.642 176.312 0.330 19766 5844 1 9 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.145 -1.369 19766 5845 1 9 . 1 1 110 110 ILE CB C 110 38.454 38.454 39.194 -0.740 19766 5846 1 9 . 1 1 110 110 ILE H H 110 7.623 7.623 7.275 0.348 19766 5847 1 9 . 1 1 111 111 VAL N N 111 122.938 122.938 119.853 3.085 19766 5848 1 9 . 1 1 111 111 VAL HA H 111 4.078 4.078 4.251 -0.173 19766 5849 1 9 . 1 1 111 111 VAL C C 111 176.668 176.668 174.810 1.858 19766 5850 1 9 . 1 1 111 111 VAL CA C 111 63.037 63.037 60.208 2.829 19766 5851 1 9 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.711 -1.229 19766 5852 1 9 . 1 1 111 111 VAL H H 111 8.043 8.043 8.169 -0.126 19766 5853 1 9 . 1 1 112 112 SER N N 112 118.345 118.345 123.305 -4.960 19766 5854 1 9 . 1 1 112 112 SER HA H 112 4.417 4.417 4.476 -0.059 19766 5855 1 9 . 1 1 112 112 SER C C 112 174.925 174.925 173.736 1.189 19766 5856 1 9 . 1 1 112 112 SER CA C 112 58.848 58.848 58.044 0.804 19766 5857 1 9 . 1 1 112 112 SER CB C 112 63.551 63.551 62.247 1.304 19766 5858 1 9 . 1 1 112 112 SER H H 112 8.210 8.210 8.580 -0.370 19766 5859 1 9 . 1 1 113 113 LYS N N 113 122.729 122.729 126.550 -3.821 19766 5860 1 9 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.593 -0.275 19766 5861 1 9 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.218 1.378 19766 5862 1 9 . 1 1 113 113 LYS CB C 113 32.846 32.846 34.530 -1.684 19766 5863 1 9 . 1 1 113 113 LYS H H 113 8.295 8.295 7.821 0.474 19766 5864 1 9 . 1 1 114 114 ASN N N 114 119.243 119.243 121.206 -1.963 19766 5865 1 9 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.603 0.075 19766 5866 1 9 . 1 1 114 114 ASN CA C 114 53.483 53.483 54.195 -0.712 19766 5867 1 9 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.043 -0.185 19766 5868 1 9 . 1 1 114 114 ASN H H 114 8.372 8.372 8.585 -0.213 19766 5869 1 9 . 1 1 115 115 ASN N N 115 119.155 119.155 117.567 1.588 19766 5870 1 9 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.898 -0.216 19766 5871 1 9 . 1 1 115 115 ASN C C 115 174.877 174.877 173.876 1.001 19766 5872 1 9 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.002 1.481 19766 5873 1 9 . 1 1 115 115 ASN CB C 115 38.858 38.858 38.320 0.538 19766 5874 1 9 . 1 1 115 115 ASN H H 115 8.372 8.372 8.206 0.166 19766 5875 1 9 . 1 1 116 116 ALA N N 116 123.743 123.743 124.489 -0.746 19766 5876 1 9 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.471 -0.142 19766 5877 1 9 . 1 1 116 116 ALA C C 116 177.574 177.574 176.596 0.978 19766 5878 1 9 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.839 0.854 19766 5879 1 9 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.914 0.433 19766 5880 1 9 . 1 1 116 116 ALA H H 116 8.116 8.116 8.474 -0.358 19766 5881 1 9 . 1 1 117 117 GLU N N 117 120.161 120.161 117.706 2.455 19766 5882 1 9 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.890 -0.617 19766 5883 1 9 . 1 1 117 117 GLU C C 117 175.557 175.557 174.527 1.030 19766 5884 1 9 . 1 1 117 117 GLU CA C 117 56.659 56.659 54.909 1.750 19766 5885 1 9 . 1 1 117 117 GLU CB C 117 30.154 30.154 32.167 -2.013 19766 5886 1 9 . 1 1 117 117 GLU H H 117 8.220 8.220 8.081 0.139 19766 5887 1 10 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.559 -0.219 19766 5888 1 10 . 1 1 2 2 ALA C C 2 177.830 177.830 177.696 0.134 19766 5889 1 10 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.522 0.172 19766 5890 1 10 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.583 -0.224 19766 5891 1 10 . 1 1 3 3 MET N N 3 119.580 119.580 119.685 -0.105 19766 5892 1 10 . 1 1 3 3 MET HA H 3 4.482 4.482 4.575 -0.093 19766 5893 1 10 . 1 1 3 3 MET C C 3 176.714 176.714 177.920 -1.206 19766 5894 1 10 . 1 1 3 3 MET CA C 3 55.590 55.590 53.761 1.829 19766 5895 1 10 . 1 1 3 3 MET CB C 3 32.922 32.922 33.047 -0.125 19766 5896 1 10 . 1 1 3 3 MET H H 3 8.451 8.451 7.779 0.672 19766 5897 1 10 . 1 1 4 4 GLY N N 4 109.951 109.951 111.584 -1.633 19766 5898 1 10 . 1 1 4 4 GLY C C 4 174.082 174.082 174.548 -0.466 19766 5899 1 10 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.000 0.466 19766 5900 1 10 . 1 1 4 4 GLY H H 4 8.400 8.400 9.265 -0.865 19766 5901 1 10 . 1 1 5 5 ASN N N 5 118.667 118.667 119.077 -0.410 19766 5902 1 10 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.602 0.082 19766 5903 1 10 . 1 1 5 5 ASN C C 5 175.489 175.489 175.933 -0.444 19766 5904 1 10 . 1 1 5 5 ASN CA C 5 53.501 53.501 53.781 -0.280 19766 5905 1 10 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.193 0.773 19766 5906 1 10 . 1 1 5 5 ASN H H 5 8.378 8.378 8.213 0.165 19766 5907 1 10 . 1 1 6 6 GLU N N 6 120.908 120.908 118.626 2.282 19766 5908 1 10 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.074 0.092 19766 5909 1 10 . 1 1 6 6 GLU C C 6 176.336 176.336 175.974 0.362 19766 5910 1 10 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.999 0.270 19766 5911 1 10 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.767 -0.031 19766 5912 1 10 . 1 1 6 6 GLU H H 6 8.620 8.620 8.295 0.325 19766 5913 1 10 . 1 1 7 7 TYR N N 7 120.339 120.339 119.587 0.752 19766 5914 1 10 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.497 0.003 19766 5915 1 10 . 1 1 7 7 TYR C C 7 175.808 175.808 175.644 0.164 19766 5916 1 10 . 1 1 7 7 TYR CA C 7 58.151 58.151 58.159 -0.008 19766 5917 1 10 . 1 1 7 7 TYR CB C 7 38.194 38.194 39.049 -0.855 19766 5918 1 10 . 1 1 7 7 TYR H H 7 8.045 8.045 7.354 0.691 19766 5919 1 10 . 1 1 8 8 LYS N N 8 121.700 121.700 123.054 -1.354 19766 5920 1 10 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.154 -0.004 19766 5921 1 10 . 1 1 8 8 LYS C C 8 175.868 175.868 175.938 -0.070 19766 5922 1 10 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.954 -0.392 19766 5923 1 10 . 1 1 8 8 LYS CB C 8 33.158 33.158 33.316 -0.158 19766 5924 1 10 . 1 1 8 8 LYS H H 8 7.829 7.829 8.563 -0.734 19766 5925 1 10 . 1 1 9 9 ASP N N 9 119.811 119.811 118.726 1.085 19766 5926 1 10 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.632 0.006 19766 5927 1 10 . 1 1 9 9 ASP C C 9 175.972 175.972 175.574 0.398 19766 5928 1 10 . 1 1 9 9 ASP CA C 9 54.624 54.624 53.958 0.666 19766 5929 1 10 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.582 0.957 19766 5930 1 10 . 1 1 9 9 ASP H H 9 8.137 8.137 8.364 -0.227 19766 5931 1 10 . 1 1 10 10 ASN N N 10 119.794 119.794 119.001 0.793 19766 5932 1 10 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.967 0.005 19766 5933 1 10 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.054 -0.209 19766 5934 1 10 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.309 0.450 19766 5935 1 10 . 1 1 10 10 ASN H H 10 8.292 8.292 7.734 0.558 19766 5936 1 10 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.409 0.194 19766 5937 1 10 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.214 0.035 19766 5938 1 10 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.517 -0.329 19766 5939 1 10 . 1 1 12 12 TYR N N 12 118.889 118.889 118.259 0.630 19766 5940 1 10 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.236 -0.092 19766 5941 1 10 . 1 1 12 12 TYR C C 12 177.773 177.773 175.501 2.272 19766 5942 1 10 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.315 -1.132 19766 5943 1 10 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.480 2.102 19766 5944 1 10 . 1 1 12 12 TYR H H 12 8.057 8.057 7.707 0.350 19766 5945 1 10 . 1 1 13 13 ILE N N 13 112.765 112.765 118.184 -5.419 19766 5946 1 10 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.132 0.022 19766 5947 1 10 . 1 1 13 13 ILE C C 13 174.312 174.312 174.605 -0.293 19766 5948 1 10 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.224 0.812 19766 5949 1 10 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.621 -0.725 19766 5950 1 10 . 1 1 13 13 ILE H H 13 9.310 9.310 9.351 -0.041 19766 5951 1 10 . 1 1 14 14 TYR N N 14 124.417 124.417 128.804 -4.387 19766 5952 1 10 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.980 -0.273 19766 5953 1 10 . 1 1 14 14 TYR C C 14 173.058 173.058 173.992 -0.934 19766 5954 1 10 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.342 -1.130 19766 5955 1 10 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.471 0.748 19766 5956 1 10 . 1 1 14 14 TYR H H 14 9.252 9.252 9.102 0.150 19766 5957 1 10 . 1 1 15 15 ILE N N 15 127.660 127.660 128.299 -0.639 19766 5958 1 10 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.169 -0.904 19766 5959 1 10 . 1 1 15 15 ILE C C 15 173.705 173.705 174.845 -1.140 19766 5960 1 10 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.318 0.168 19766 5961 1 10 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.938 0.064 19766 5962 1 10 . 1 1 15 15 ILE H H 15 8.558 8.558 8.658 -0.100 19766 5963 1 10 . 1 1 16 16 GLY N N 16 112.792 112.792 111.781 1.011 19766 5964 1 10 . 1 1 16 16 GLY C C 16 173.110 173.110 173.266 -0.156 19766 5965 1 10 . 1 1 16 16 GLY CA C 16 43.249 43.249 43.376 -0.127 19766 5966 1 10 . 1 1 16 16 GLY H H 16 9.516 9.516 8.773 0.743 19766 5967 1 10 . 1 1 17 17 ASN N N 17 115.139 115.139 116.075 -0.936 19766 5968 1 10 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.272 0.124 19766 5969 1 10 . 1 1 17 17 ASN C C 17 174.854 174.854 174.336 0.518 19766 5970 1 10 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.816 -0.581 19766 5971 1 10 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.880 0.053 19766 5972 1 10 . 1 1 17 17 ASN H H 17 8.511 8.511 8.365 0.146 19766 5973 1 10 . 1 1 18 18 LEU N N 18 114.660 114.660 119.255 -4.595 19766 5974 1 10 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.291 -0.255 19766 5975 1 10 . 1 1 18 18 LEU C C 18 178.161 178.161 176.685 1.476 19766 5976 1 10 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.992 -1.108 19766 5977 1 10 . 1 1 18 18 LEU CB C 18 42.562 42.562 42.847 -0.285 19766 5978 1 10 . 1 1 18 18 LEU H H 18 7.839 7.839 7.596 0.243 19766 5979 1 10 . 1 1 19 19 ASN N N 19 122.707 122.707 120.216 2.491 19766 5980 1 10 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.583 -0.220 19766 5981 1 10 . 1 1 19 19 ASN C C 19 178.037 178.037 176.949 1.088 19766 5982 1 10 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.182 1.422 19766 5983 1 10 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.174 -0.362 19766 5984 1 10 . 1 1 19 19 ASN H H 19 8.779 8.779 8.500 0.279 19766 5985 1 10 . 1 1 20 20 ARG N N 20 128.724 128.724 120.625 8.099 19766 5986 1 10 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.000 -0.147 19766 5987 1 10 . 1 1 20 20 ARG C C 20 175.612 175.612 176.780 -1.168 19766 5988 1 10 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.733 0.041 19766 5989 1 10 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.071 -0.387 19766 5990 1 10 . 1 1 20 20 ARG H H 20 8.954 8.954 8.757 0.197 19766 5991 1 10 . 1 1 21 21 GLU N N 21 117.609 117.609 115.929 1.680 19766 5992 1 10 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.150 0.123 19766 5993 1 10 . 1 1 21 21 GLU C C 21 177.285 177.285 176.276 1.009 19766 5994 1 10 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.602 0.180 19766 5995 1 10 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.779 1.718 19766 5996 1 10 . 1 1 21 21 GLU H H 21 9.092 9.092 8.477 0.615 19766 5997 1 10 . 1 1 22 22 LEU N N 22 116.169 116.169 121.916 -5.747 19766 5998 1 10 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.530 0.026 19766 5999 1 10 . 1 1 22 22 LEU C C 22 178.328 178.328 176.418 1.910 19766 6000 1 10 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.631 1.025 19766 6001 1 10 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.440 0.786 19766 6002 1 10 . 1 1 22 22 LEU H H 22 7.208 7.208 7.229 -0.021 19766 6003 1 10 . 1 1 23 23 THR N N 23 113.733 113.733 117.672 -3.939 19766 6004 1 10 . 1 1 23 23 THR HA H 23 4.349 4.349 4.707 -0.358 19766 6005 1 10 . 1 1 23 23 THR C C 23 175.225 175.225 175.123 0.102 19766 6006 1 10 . 1 1 23 23 THR CA C 23 59.960 59.960 59.391 0.569 19766 6007 1 10 . 1 1 23 23 THR CB C 23 72.172 72.172 70.893 1.279 19766 6008 1 10 . 1 1 23 23 THR H H 23 8.732 8.732 9.167 -0.435 19766 6009 1 10 . 1 1 24 24 GLU N N 24 119.838 119.838 121.848 -2.010 19766 6010 1 10 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.042 -0.385 19766 6011 1 10 . 1 1 24 24 GLU C C 24 178.983 178.983 179.072 -0.089 19766 6012 1 10 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.642 2.929 19766 6013 1 10 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.059 -1.713 19766 6014 1 10 . 1 1 24 24 GLU H H 24 9.761 9.761 8.960 0.801 19766 6015 1 10 . 1 1 25 25 GLY N N 25 104.462 104.462 106.841 -2.379 19766 6016 1 10 . 1 1 25 25 GLY C C 25 175.139 175.139 176.056 -0.917 19766 6017 1 10 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.867 0.738 19766 6018 1 10 . 1 1 25 25 GLY H H 25 8.486 8.486 8.655 -0.169 19766 6019 1 10 . 1 1 26 26 ASP N N 26 123.296 123.296 123.697 -0.401 19766 6020 1 10 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.453 0.117 19766 6021 1 10 . 1 1 26 26 ASP C C 26 178.135 178.135 178.545 -0.410 19766 6022 1 10 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.922 -0.110 19766 6023 1 10 . 1 1 26 26 ASP CB C 26 41.885 41.885 40.823 1.062 19766 6024 1 10 . 1 1 26 26 ASP H H 26 7.960 7.960 7.634 0.326 19766 6025 1 10 . 1 1 27 27 ILE N N 27 118.853 118.853 120.538 -1.685 19766 6026 1 10 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.873 -0.266 19766 6027 1 10 . 1 1 27 27 ILE C C 27 178.424 178.424 178.166 0.258 19766 6028 1 10 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.348 0.393 19766 6029 1 10 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.859 -0.147 19766 6030 1 10 . 1 1 27 27 ILE H H 27 8.159 8.159 7.560 0.599 19766 6031 1 10 . 1 1 28 28 LEU N N 28 118.549 118.549 120.299 -1.750 19766 6032 1 10 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.945 -0.041 19766 6033 1 10 . 1 1 28 28 LEU C C 28 180.057 180.057 179.241 0.816 19766 6034 1 10 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.324 0.207 19766 6035 1 10 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.439 0.506 19766 6036 1 10 . 1 1 28 28 LEU H H 28 8.414 8.414 8.179 0.235 19766 6037 1 10 . 1 1 29 29 THR N N 29 122.156 122.156 115.106 7.050 19766 6038 1 10 . 1 1 29 29 THR HA H 29 4.032 4.032 4.008 0.024 19766 6039 1 10 . 1 1 29 29 THR C C 29 175.113 175.113 176.235 -1.122 19766 6040 1 10 . 1 1 29 29 THR CA C 29 66.754 66.754 66.642 0.112 19766 6041 1 10 . 1 1 29 29 THR CB C 29 68.490 68.490 68.838 -0.349 19766 6042 1 10 . 1 1 29 29 THR H H 29 8.715 8.715 8.268 0.447 19766 6043 1 10 . 1 1 30 30 VAL N N 30 116.487 116.487 117.268 -0.781 19766 6044 1 10 . 1 1 30 30 VAL HA H 30 3.831 3.831 4.026 -0.195 19766 6045 1 10 . 1 1 30 30 VAL C C 30 179.968 179.968 177.513 2.455 19766 6046 1 10 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.079 0.436 19766 6047 1 10 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.602 1.442 19766 6048 1 10 . 1 1 30 30 VAL H H 30 7.713 7.713 8.180 -0.467 19766 6049 1 10 . 1 1 31 31 PHE N N 31 113.658 113.658 120.020 -6.362 19766 6050 1 10 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.776 -0.909 19766 6051 1 10 . 1 1 31 31 PHE C C 31 179.577 179.577 178.425 1.152 19766 6052 1 10 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.785 1.619 19766 6053 1 10 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.763 -1.450 19766 6054 1 10 . 1 1 31 31 PHE H H 31 8.876 8.876 9.084 -0.208 19766 6055 1 10 . 1 1 32 32 SER N N 32 118.635 118.635 115.888 2.747 19766 6056 1 10 . 1 1 32 32 SER HA H 32 5.381 5.381 4.699 0.682 19766 6057 1 10 . 1 1 32 32 SER C C 32 172.662 172.662 176.609 -3.947 19766 6058 1 10 . 1 1 32 32 SER CA C 32 61.338 61.338 59.554 1.784 19766 6059 1 10 . 1 1 32 32 SER CB C 32 63.875 63.875 62.661 1.214 19766 6060 1 10 . 1 1 32 32 SER H H 32 8.106 8.106 8.418 -0.312 19766 6061 1 10 . 1 1 33 33 GLU N N 33 121.234 121.234 122.503 -1.269 19766 6062 1 10 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.971 -1.814 19766 6063 1 10 . 1 1 33 33 GLU C C 33 174.223 174.223 177.527 -3.304 19766 6064 1 10 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.493 1.147 19766 6065 1 10 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.213 -1.382 19766 6066 1 10 . 1 1 33 33 GLU H H 33 6.964 6.964 7.721 -0.757 19766 6067 1 10 . 1 1 34 34 TYR N N 34 107.930 107.930 115.612 -7.682 19766 6068 1 10 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.528 -0.375 19766 6069 1 10 . 1 1 34 34 TYR C C 34 173.208 173.208 175.266 -2.058 19766 6070 1 10 . 1 1 34 34 TYR CA C 34 57.329 57.329 58.098 -0.769 19766 6071 1 10 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.467 -0.589 19766 6072 1 10 . 1 1 34 34 TYR H H 34 6.229 6.229 7.867 -1.638 19766 6073 1 10 . 1 1 35 35 GLY N N 35 103.542 103.542 106.048 -2.506 19766 6074 1 10 . 1 1 35 35 GLY C C 35 170.379 170.379 172.197 -1.818 19766 6075 1 10 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.078 -0.399 19766 6076 1 10 . 1 1 35 35 GLY H H 35 7.257 7.257 7.310 -0.053 19766 6077 1 10 . 1 1 36 36 VAL N N 36 120.446 120.446 121.250 -0.804 19766 6078 1 10 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.632 -0.128 19766 6079 1 10 . 1 1 36 36 VAL CA C 36 59.715 59.715 58.895 0.820 19766 6080 1 10 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.163 0.868 19766 6081 1 10 . 1 1 36 36 VAL H H 36 8.438 8.438 8.459 -0.021 19766 6082 1 10 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.239 0.464 19766 6083 1 10 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.797 -0.423 19766 6084 1 10 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.367 0.704 19766 6085 1 10 . 1 1 38 38 VAL N N 38 113.929 113.929 117.805 -3.876 19766 6086 1 10 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.154 0.328 19766 6087 1 10 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.069 -1.615 19766 6088 1 10 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.591 -0.087 19766 6089 1 10 . 1 1 38 38 VAL H H 38 8.966 8.966 8.517 0.449 19766 6090 1 10 . 1 1 39 39 ASP N N 39 118.213 118.213 119.301 -1.088 19766 6091 1 10 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.914 -0.239 19766 6092 1 10 . 1 1 39 39 ASP C C 39 174.637 174.637 173.619 1.018 19766 6093 1 10 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.257 0.431 19766 6094 1 10 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.332 -0.525 19766 6095 1 10 . 1 1 39 39 ASP H H 39 7.500 7.500 7.685 -0.185 19766 6096 1 10 . 1 1 40 40 VAL N N 40 121.576 121.576 123.277 -1.701 19766 6097 1 10 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.255 -0.264 19766 6098 1 10 . 1 1 40 40 VAL C C 40 170.562 170.562 173.304 -2.742 19766 6099 1 10 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.145 0.213 19766 6100 1 10 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.665 -0.446 19766 6101 1 10 . 1 1 40 40 VAL H H 40 7.657 7.657 8.557 -0.900 19766 6102 1 10 . 1 1 41 41 ILE N N 41 125.384 125.384 122.260 3.124 19766 6103 1 10 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.591 0.227 19766 6104 1 10 . 1 1 41 41 ILE C C 41 175.425 175.425 172.704 2.721 19766 6105 1 10 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.155 2.335 19766 6106 1 10 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.529 1.027 19766 6107 1 10 . 1 1 41 41 ILE H H 41 8.901 8.901 8.850 0.051 19766 6108 1 10 . 1 1 42 42 LEU N N 42 128.888 128.888 125.144 3.744 19766 6109 1 10 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.774 -0.313 19766 6110 1 10 . 1 1 42 42 LEU C C 42 174.934 174.934 175.860 -0.926 19766 6111 1 10 . 1 1 42 42 LEU CA C 42 53.377 53.377 52.912 0.465 19766 6112 1 10 . 1 1 42 42 LEU CB C 42 43.539 43.539 44.494 -0.955 19766 6113 1 10 . 1 1 42 42 LEU H H 42 8.344 8.344 8.826 -0.482 19766 6114 1 10 . 1 1 43 43 SER N N 43 122.818 122.818 121.049 1.769 19766 6115 1 10 . 1 1 43 43 SER HA H 43 3.876 3.876 4.559 -0.683 19766 6116 1 10 . 1 1 43 43 SER C C 43 173.869 173.869 173.300 0.569 19766 6117 1 10 . 1 1 43 43 SER CA C 43 59.688 59.688 58.358 1.329 19766 6118 1 10 . 1 1 43 43 SER CB C 43 62.673 62.673 62.665 0.008 19766 6119 1 10 . 1 1 43 43 SER H H 43 8.362 8.362 9.008 -0.646 19766 6120 1 10 . 1 1 44 44 ARG N N 44 128.045 128.045 125.938 2.107 19766 6121 1 10 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.096 -0.267 19766 6122 1 10 . 1 1 44 44 ARG C C 44 175.031 175.031 175.469 -0.438 19766 6123 1 10 . 1 1 44 44 ARG CA C 44 54.062 54.062 54.344 -0.282 19766 6124 1 10 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.434 0.864 19766 6125 1 10 . 1 1 44 44 ARG H H 44 8.079 8.079 7.581 0.498 19766 6126 1 10 . 1 1 45 45 ASP N N 45 123.491 123.491 120.954 2.537 19766 6127 1 10 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.593 -0.356 19766 6128 1 10 . 1 1 45 45 ASP C C 45 177.487 177.487 176.689 0.798 19766 6129 1 10 . 1 1 45 45 ASP CA C 45 54.917 54.917 52.957 1.960 19766 6130 1 10 . 1 1 45 45 ASP CB C 45 43.611 43.611 43.400 0.211 19766 6131 1 10 . 1 1 45 45 ASP H H 45 8.663 8.663 8.283 0.380 19766 6132 1 10 . 1 1 46 46 GLU N N 46 125.446 125.446 123.192 2.254 19766 6133 1 10 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.128 -0.221 19766 6134 1 10 . 1 1 46 46 GLU C C 46 175.655 175.655 177.068 -1.413 19766 6135 1 10 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.283 0.590 19766 6136 1 10 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.760 -0.106 19766 6137 1 10 . 1 1 46 46 GLU H H 46 9.007 9.007 8.788 0.219 19766 6138 1 10 . 1 1 47 47 ASN N N 47 115.343 115.343 116.130 -0.787 19766 6139 1 10 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.697 0.187 19766 6140 1 10 . 1 1 47 47 ASN C C 47 176.665 176.665 176.534 0.131 19766 6141 1 10 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.633 0.306 19766 6142 1 10 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.804 0.425 19766 6143 1 10 . 1 1 47 47 ASN H H 47 8.947 8.947 8.681 0.266 19766 6144 1 10 . 1 1 48 48 THR N N 48 107.604 107.604 112.107 -4.503 19766 6145 1 10 . 1 1 48 48 THR HA H 48 4.468 4.468 4.502 -0.034 19766 6146 1 10 . 1 1 48 48 THR C C 48 176.465 176.465 175.800 0.665 19766 6147 1 10 . 1 1 48 48 THR CA C 48 61.555 61.555 61.870 -0.314 19766 6148 1 10 . 1 1 48 48 THR CB C 48 71.342 71.342 70.318 1.024 19766 6149 1 10 . 1 1 48 48 THR H H 48 8.450 8.450 8.036 0.414 19766 6150 1 10 . 1 1 49 49 GLY N N 49 111.809 111.809 109.695 2.114 19766 6151 1 10 . 1 1 49 49 GLY C C 49 173.193 173.193 173.307 -0.114 19766 6152 1 10 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.680 0.043 19766 6153 1 10 . 1 1 49 49 GLY H H 49 8.632 8.632 7.783 0.849 19766 6154 1 10 . 1 1 50 50 GLU N N 50 120.089 120.089 118.778 1.311 19766 6155 1 10 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.181 -0.048 19766 6156 1 10 . 1 1 50 50 GLU C C 50 176.586 176.586 175.813 0.773 19766 6157 1 10 . 1 1 50 50 GLU CA C 50 56.532 56.532 55.260 1.272 19766 6158 1 10 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.333 0.751 19766 6159 1 10 . 1 1 50 50 GLU H H 50 7.825 7.825 7.854 -0.029 19766 6160 1 10 . 1 1 51 51 SER N N 51 115.686 115.686 116.551 -0.865 19766 6161 1 10 . 1 1 51 51 SER HA H 51 4.273 4.273 4.280 -0.007 19766 6162 1 10 . 1 1 51 51 SER C C 51 176.516 176.516 175.251 1.265 19766 6163 1 10 . 1 1 51 51 SER CA C 51 58.415 58.415 58.401 0.014 19766 6164 1 10 . 1 1 51 51 SER CB C 51 64.668 64.668 63.706 0.962 19766 6165 1 10 . 1 1 51 51 SER H H 51 8.871 8.871 8.826 0.045 19766 6166 1 10 . 1 1 52 52 GLN N N 52 123.284 123.284 128.280 -4.996 19766 6167 1 10 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.414 0.077 19766 6168 1 10 . 1 1 52 52 GLN C C 52 177.471 177.471 176.301 1.170 19766 6169 1 10 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.551 -0.404 19766 6170 1 10 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.789 0.091 19766 6171 1 10 . 1 1 52 52 GLN H H 52 9.103 9.103 8.685 0.418 19766 6172 1 10 . 1 1 53 53 GLY N N 53 105.865 105.865 106.983 -1.118 19766 6173 1 10 . 1 1 53 53 GLY C C 53 172.010 172.010 173.136 -1.126 19766 6174 1 10 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.903 1.742 19766 6175 1 10 . 1 1 53 53 GLY H H 53 8.888 8.888 7.666 1.222 19766 6176 1 10 . 1 1 54 54 PHE N N 54 112.097 112.097 118.079 -5.982 19766 6177 1 10 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.255 0.091 19766 6178 1 10 . 1 1 54 54 PHE C C 54 171.548 171.548 173.351 -1.803 19766 6179 1 10 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.540 0.131 19766 6180 1 10 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.705 -2.025 19766 6181 1 10 . 1 1 54 54 PHE H H 54 6.879 6.879 7.274 -0.395 19766 6182 1 10 . 1 1 55 55 ALA N N 55 122.332 122.332 121.247 1.085 19766 6183 1 10 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.912 0.211 19766 6184 1 10 . 1 1 55 55 ALA C C 55 173.074 173.074 174.527 -1.453 19766 6185 1 10 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.737 -1.208 19766 6186 1 10 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.760 2.979 19766 6187 1 10 . 1 1 55 55 ALA H H 55 9.051 9.051 8.809 0.242 19766 6188 1 10 . 1 1 56 56 TYR N N 56 115.022 115.022 116.306 -1.284 19766 6189 1 10 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.892 -0.218 19766 6190 1 10 . 1 1 56 56 TYR C C 56 175.292 175.292 174.320 0.972 19766 6191 1 10 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.526 -0.945 19766 6192 1 10 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.662 -0.315 19766 6193 1 10 . 1 1 56 56 TYR H H 56 9.007 9.007 9.026 -0.019 19766 6194 1 10 . 1 1 57 57 LEU N N 57 122.695 122.695 121.772 0.923 19766 6195 1 10 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.562 -0.803 19766 6196 1 10 . 1 1 57 57 LEU C C 57 172.173 172.173 174.207 -2.034 19766 6197 1 10 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.878 0.938 19766 6198 1 10 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.538 0.368 19766 6199 1 10 . 1 1 57 57 LEU H H 57 8.648 8.648 9.053 -0.405 19766 6200 1 10 . 1 1 58 58 LYS N N 58 125.954 125.954 117.860 8.094 19766 6201 1 10 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.872 -0.407 19766 6202 1 10 . 1 1 58 58 LYS C C 58 174.900 174.900 174.795 0.105 19766 6203 1 10 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.132 -0.509 19766 6204 1 10 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.180 1.366 19766 6205 1 10 . 1 1 58 58 LYS H H 58 7.948 7.948 8.878 -0.930 19766 6206 1 10 . 1 1 59 59 TYR N N 59 126.396 126.396 122.685 3.711 19766 6207 1 10 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.824 0.276 19766 6208 1 10 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.086 -0.112 19766 6209 1 10 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.728 2.770 19766 6210 1 10 . 1 1 59 59 TYR H H 59 9.007 9.007 8.585 0.422 19766 6211 1 10 . 1 1 60 60 GLU N N 60 120.848 120.848 120.239 0.609 19766 6212 1 10 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.023 -0.150 19766 6213 1 10 . 1 1 60 60 GLU C C 60 175.081 175.081 176.267 -1.186 19766 6214 1 10 . 1 1 60 60 GLU CA C 60 59.053 59.053 59.029 0.024 19766 6215 1 10 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.286 0.581 19766 6216 1 10 . 1 1 60 60 GLU H H 60 8.973 8.973 8.457 0.516 19766 6217 1 10 . 1 1 61 61 ASP N N 61 117.604 117.604 117.485 0.119 19766 6218 1 10 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.772 0.094 19766 6219 1 10 . 1 1 61 61 ASP C C 61 176.598 176.598 176.689 -0.091 19766 6220 1 10 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.178 -2.066 19766 6221 1 10 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.636 0.788 19766 6222 1 10 . 1 1 61 61 ASP H H 61 8.017 8.017 8.093 -0.076 19766 6223 1 10 . 1 1 62 62 GLN N N 62 126.427 126.427 125.239 1.188 19766 6224 1 10 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.176 0.094 19766 6225 1 10 . 1 1 62 62 GLN C C 62 178.514 178.514 177.866 0.648 19766 6226 1 10 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.609 -0.104 19766 6227 1 10 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.990 -1.017 19766 6228 1 10 . 1 1 62 62 GLN H H 62 9.007 9.007 8.885 0.122 19766 6229 1 10 . 1 1 63 63 ARG N N 63 121.369 121.369 118.889 2.480 19766 6230 1 10 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.109 -0.389 19766 6231 1 10 . 1 1 63 63 ARG C C 63 178.566 178.566 178.449 0.117 19766 6232 1 10 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.062 0.020 19766 6233 1 10 . 1 1 63 63 ARG H H 63 9.013 9.013 8.987 0.026 19766 6234 1 10 . 1 1 64 64 SER N N 64 115.216 115.216 113.984 1.232 19766 6235 1 10 . 1 1 64 64 SER HA H 64 3.746 3.746 4.198 -0.452 19766 6236 1 10 . 1 1 64 64 SER C C 64 175.695 175.695 175.695 0.000 19766 6237 1 10 . 1 1 64 64 SER CA C 64 63.651 63.651 60.743 2.908 19766 6238 1 10 . 1 1 64 64 SER H H 64 8.207 8.207 7.866 0.341 19766 6239 1 10 . 1 1 65 65 THR N N 65 111.402 111.402 120.134 -8.732 19766 6240 1 10 . 1 1 65 65 THR HA H 65 3.785 3.785 4.180 -0.395 19766 6241 1 10 . 1 1 65 65 THR C C 65 175.556 175.556 176.577 -1.021 19766 6242 1 10 . 1 1 65 65 THR CA C 65 66.178 66.178 67.629 -1.451 19766 6243 1 10 . 1 1 65 65 THR CB C 65 68.414 68.414 68.832 -0.418 19766 6244 1 10 . 1 1 65 65 THR H H 65 7.640 7.640 7.460 0.180 19766 6245 1 10 . 1 1 66 66 ILE N N 66 122.905 122.905 121.397 1.508 19766 6246 1 10 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.870 -0.168 19766 6247 1 10 . 1 1 66 66 ILE C C 66 177.292 177.292 177.627 -0.335 19766 6248 1 10 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.226 -0.972 19766 6249 1 10 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.664 0.735 19766 6250 1 10 . 1 1 66 66 ILE H H 66 6.702 6.702 8.070 -1.368 19766 6251 1 10 . 1 1 67 67 LEU N N 67 114.425 114.425 120.149 -5.724 19766 6252 1 10 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.797 -0.067 19766 6253 1 10 . 1 1 67 67 LEU C C 67 179.641 179.641 178.770 0.871 19766 6254 1 10 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.766 -0.179 19766 6255 1 10 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.121 0.561 19766 6256 1 10 . 1 1 67 67 LEU H H 67 6.975 6.975 7.555 -0.580 19766 6257 1 10 . 1 1 68 68 ALA N N 68 120.639 120.639 120.962 -0.323 19766 6258 1 10 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.439 -0.004 19766 6259 1 10 . 1 1 68 68 ALA C C 68 179.087 179.087 179.622 -0.535 19766 6260 1 10 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.696 1.040 19766 6261 1 10 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.350 0.663 19766 6262 1 10 . 1 1 68 68 ALA H H 68 8.225 8.225 7.569 0.656 19766 6263 1 10 . 1 1 69 69 VAL N N 69 118.866 118.866 119.161 -0.295 19766 6264 1 10 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.582 -0.343 19766 6265 1 10 . 1 1 69 69 VAL C C 69 178.798 178.798 177.957 0.841 19766 6266 1 10 . 1 1 69 69 VAL CA C 69 67.025 67.025 67.374 -0.349 19766 6267 1 10 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.840 -0.003 19766 6268 1 10 . 1 1 69 69 VAL H H 69 8.162 8.162 7.553 0.609 19766 6269 1 10 . 1 1 70 70 ASP N N 70 117.230 117.230 115.430 1.800 19766 6270 1 10 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.478 -0.424 19766 6271 1 10 . 1 1 70 70 ASP C C 70 178.297 178.297 177.290 1.007 19766 6272 1 10 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.071 1.198 19766 6273 1 10 . 1 1 70 70 ASP CB C 70 39.622 39.622 40.724 -1.102 19766 6274 1 10 . 1 1 70 70 ASP H H 70 8.262 8.262 8.020 0.242 19766 6275 1 10 . 1 1 71 71 ASN N N 71 111.214 111.214 116.552 -5.338 19766 6276 1 10 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.607 0.256 19766 6277 1 10 . 1 1 71 71 ASN C C 71 176.614 176.614 176.156 0.458 19766 6278 1 10 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.463 1.138 19766 6279 1 10 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.717 1.883 19766 6280 1 10 . 1 1 71 71 ASN H H 71 7.541 7.541 7.944 -0.403 19766 6281 1 10 . 1 1 72 72 LEU N N 72 116.127 116.127 118.008 -1.881 19766 6282 1 10 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.290 0.359 19766 6283 1 10 . 1 1 72 72 LEU C C 72 177.465 177.465 176.263 1.202 19766 6284 1 10 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.227 -0.875 19766 6285 1 10 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.503 0.045 19766 6286 1 10 . 1 1 72 72 LEU H H 72 8.323 8.323 7.682 0.641 19766 6287 1 10 . 1 1 73 73 ASN N N 73 118.792 118.792 117.759 1.033 19766 6288 1 10 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.668 -0.257 19766 6289 1 10 . 1 1 73 73 ASN C C 73 177.085 177.085 176.372 0.713 19766 6290 1 10 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.965 1.589 19766 6291 1 10 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.620 0.838 19766 6292 1 10 . 1 1 73 73 ASN H H 73 6.965 6.965 7.542 -0.577 19766 6293 1 10 . 1 1 74 74 GLY N N 74 115.779 115.779 114.482 1.297 19766 6294 1 10 . 1 1 74 74 GLY C C 74 172.848 172.848 174.009 -1.161 19766 6295 1 10 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.886 0.872 19766 6296 1 10 . 1 1 74 74 GLY H H 74 9.389 9.389 8.463 0.926 19766 6297 1 10 . 1 1 75 75 PHE N N 75 123.194 123.194 123.038 0.156 19766 6298 1 10 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.432 -0.145 19766 6299 1 10 . 1 1 75 75 PHE C C 75 174.778 174.778 174.610 0.168 19766 6300 1 10 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.287 0.586 19766 6301 1 10 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.230 1.372 19766 6302 1 10 . 1 1 75 75 PHE H H 75 8.133 8.133 8.078 0.055 19766 6303 1 10 . 1 1 76 76 LYS N N 76 127.364 127.364 128.491 -1.127 19766 6304 1 10 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.567 0.104 19766 6305 1 10 . 1 1 76 76 LYS C C 76 175.286 175.286 175.590 -0.304 19766 6306 1 10 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.533 0.719 19766 6307 1 10 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.586 0.615 19766 6308 1 10 . 1 1 76 76 LYS H H 76 7.596 7.596 7.875 -0.279 19766 6309 1 10 . 1 1 77 77 ILE N N 77 120.094 120.094 127.841 -7.747 19766 6310 1 10 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.197 0.161 19766 6311 1 10 . 1 1 77 77 ILE C C 77 177.519 177.519 175.864 1.655 19766 6312 1 10 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.827 -0.324 19766 6313 1 10 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.629 1.007 19766 6314 1 10 . 1 1 77 77 ILE H H 77 8.004 8.004 9.040 -1.036 19766 6315 1 10 . 1 1 78 78 GLY N N 78 119.932 119.932 116.789 3.143 19766 6316 1 10 . 1 1 78 78 GLY C C 78 175.944 175.944 175.026 0.918 19766 6317 1 10 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.332 1.887 19766 6318 1 10 . 1 1 78 78 GLY H H 78 10.183 10.183 9.056 1.127 19766 6319 1 10 . 1 1 79 79 GLY N N 79 104.505 104.505 104.534 -0.029 19766 6320 1 10 . 1 1 79 79 GLY C C 79 173.347 173.347 174.226 -0.879 19766 6321 1 10 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.809 0.283 19766 6322 1 10 . 1 1 79 79 GLY H H 79 8.892 8.892 8.254 0.638 19766 6323 1 10 . 1 1 80 80 ARG N N 80 119.144 119.144 122.177 -3.033 19766 6324 1 10 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.549 0.117 19766 6325 1 10 . 1 1 80 80 ARG C C 80 174.693 174.693 174.249 0.444 19766 6326 1 10 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.509 0.169 19766 6327 1 10 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.139 1.268 19766 6328 1 10 . 1 1 80 80 ARG H H 80 7.281 7.281 7.664 -0.383 19766 6329 1 10 . 1 1 81 81 ALA N N 81 126.229 126.229 127.866 -1.637 19766 6330 1 10 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.260 -1.059 19766 6331 1 10 . 1 1 81 81 ALA C C 81 176.967 176.967 176.991 -0.024 19766 6332 1 10 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.616 0.513 19766 6333 1 10 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.796 -0.596 19766 6334 1 10 . 1 1 81 81 ALA H H 81 8.673 8.673 8.625 0.048 19766 6335 1 10 . 1 1 82 82 LEU N N 82 125.471 125.471 121.561 3.910 19766 6336 1 10 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.824 -0.400 19766 6337 1 10 . 1 1 82 82 LEU C C 82 177.436 177.436 176.219 1.217 19766 6338 1 10 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.486 1.663 19766 6339 1 10 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.156 1.117 19766 6340 1 10 . 1 1 82 82 LEU H H 82 8.702 8.702 7.806 0.896 19766 6341 1 10 . 1 1 83 83 LYS N N 83 123.609 123.609 121.582 2.027 19766 6342 1 10 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.290 -0.285 19766 6343 1 10 . 1 1 83 83 LYS C C 83 174.759 174.759 175.581 -0.822 19766 6344 1 10 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.147 0.638 19766 6345 1 10 . 1 1 83 83 LYS CB C 83 34.446 34.446 35.018 -0.572 19766 6346 1 10 . 1 1 83 83 LYS H H 83 7.853 7.853 8.806 -0.953 19766 6347 1 10 . 1 1 84 84 ILE N N 84 125.547 125.547 126.456 -0.909 19766 6348 1 10 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.459 0.240 19766 6349 1 10 . 1 1 84 84 ILE C C 84 174.989 174.989 174.360 0.629 19766 6350 1 10 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.378 -1.959 19766 6351 1 10 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.603 -1.236 19766 6352 1 10 . 1 1 84 84 ILE H H 84 8.719 8.719 8.265 0.454 19766 6353 1 10 . 1 1 85 85 ASP N N 85 124.650 124.650 124.948 -0.298 19766 6354 1 10 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.149 -0.145 19766 6355 1 10 . 1 1 85 85 ASP C C 85 175.302 175.302 174.305 0.997 19766 6356 1 10 . 1 1 85 85 ASP CA C 85 52.481 52.481 51.380 1.101 19766 6357 1 10 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.851 0.618 19766 6358 1 10 . 1 1 85 85 ASP H H 85 8.826 8.826 9.129 -0.303 19766 6359 1 10 . 1 1 86 86 HIS N N 86 121.936 121.936 119.753 2.183 19766 6360 1 10 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.384 -0.681 19766 6361 1 10 . 1 1 86 86 HIS C C 86 175.216 175.216 174.779 0.437 19766 6362 1 10 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.336 1.608 19766 6363 1 10 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.300 0.180 19766 6364 1 10 . 1 1 86 86 HIS H H 86 8.909 8.909 8.780 0.129 19766 6365 1 10 . 1 1 87 87 THR N N 87 116.612 116.612 117.651 -1.039 19766 6366 1 10 . 1 1 87 87 THR HA H 87 4.688 4.688 4.546 0.142 19766 6367 1 10 . 1 1 87 87 THR CA C 87 61.030 61.030 60.403 0.627 19766 6368 1 10 . 1 1 87 87 THR CB C 87 69.903 69.903 71.411 -1.508 19766 6369 1 10 . 1 1 87 87 THR H H 87 8.521 8.521 9.181 -0.660 19766 6370 1 10 . 1 1 88 88 PHE N N 88 123.233 123.233 124.648 -1.415 19766 6371 1 10 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.961 0.333 19766 6372 1 10 . 1 1 88 88 PHE C C 88 176.452 176.452 173.930 2.522 19766 6373 1 10 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.118 -1.185 19766 6374 1 10 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.169 0.944 19766 6375 1 10 . 1 1 88 88 PHE H H 88 8.145 8.145 8.451 -0.306 19766 6376 1 10 . 1 1 89 89 TYR N N 89 122.872 122.872 124.781 -1.909 19766 6377 1 10 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.641 -0.567 19766 6378 1 10 . 1 1 89 89 TYR C C 89 173.089 173.089 174.064 -0.975 19766 6379 1 10 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.678 1.851 19766 6380 1 10 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.336 0.472 19766 6381 1 10 . 1 1 89 89 TYR H H 89 8.242 8.242 7.603 0.639 19766 6382 1 10 . 1 1 90 90 ARG N N 90 128.867 128.867 122.621 6.246 19766 6383 1 10 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.126 0.303 19766 6384 1 10 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.213 -1.645 19766 6385 1 10 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.779 1.216 19766 6386 1 10 . 1 1 90 90 ARG H H 90 7.018 7.018 8.471 -1.453 19766 6387 1 10 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.913 0.277 19766 6388 1 10 . 1 1 91 91 PRO C C 91 176.284 176.284 176.258 0.026 19766 6389 1 10 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.379 0.110 19766 6390 1 10 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.432 1.615 19766 6391 1 10 . 1 1 92 92 LYS N N 92 119.987 119.987 124.297 -4.310 19766 6392 1 10 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.271 0.411 19766 6393 1 10 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.098 -1.411 19766 6394 1 10 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.368 1.691 19766 6395 1 10 . 1 1 92 92 LYS H H 92 8.672 8.672 7.789 0.883 19766 6396 1 10 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.133 0.041 19766 6397 1 10 . 1 1 93 93 ARG C C 93 178.848 178.848 178.516 0.332 19766 6398 1 10 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.438 0.754 19766 6399 1 10 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.435 0.361 19766 6400 1 10 . 1 1 94 94 SER N N 94 112.252 112.252 114.459 -2.207 19766 6401 1 10 . 1 1 94 94 SER HA H 94 4.266 4.266 4.266 0.000 19766 6402 1 10 . 1 1 94 94 SER C C 94 175.827 175.827 175.341 0.486 19766 6403 1 10 . 1 1 94 94 SER CA C 94 60.087 60.087 60.744 -0.657 19766 6404 1 10 . 1 1 94 94 SER CB C 94 62.266 62.266 62.779 -0.513 19766 6405 1 10 . 1 1 94 94 SER H H 94 8.353 8.353 8.173 0.180 19766 6406 1 10 . 1 1 95 95 LEU N N 95 122.261 122.261 120.971 1.290 19766 6407 1 10 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.531 0.134 19766 6408 1 10 . 1 1 95 95 LEU C C 95 175.444 175.444 177.647 -2.203 19766 6409 1 10 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.881 0.223 19766 6410 1 10 . 1 1 95 95 LEU CB C 95 41.912 41.912 40.847 1.065 19766 6411 1 10 . 1 1 95 95 LEU H H 95 7.229 7.229 8.153 -0.924 19766 6412 1 10 . 1 1 96 96 GLN N N 96 118.873 118.873 120.070 -1.197 19766 6413 1 10 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.201 -0.108 19766 6414 1 10 . 1 1 96 96 GLN C C 96 177.668 177.668 177.709 -0.041 19766 6415 1 10 . 1 1 96 96 GLN CA C 96 60.710 60.710 58.881 1.829 19766 6416 1 10 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.145 0.837 19766 6417 1 10 . 1 1 96 96 GLN H H 96 7.390 7.390 7.626 -0.236 19766 6418 1 10 . 1 1 97 97 LYS N N 97 116.416 116.416 119.408 -2.992 19766 6419 1 10 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.050 0.067 19766 6420 1 10 . 1 1 97 97 LYS C C 97 179.237 179.237 179.127 0.110 19766 6421 1 10 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.419 0.974 19766 6422 1 10 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.715 -0.199 19766 6423 1 10 . 1 1 97 97 LYS H H 97 8.595 8.595 8.344 0.251 19766 6424 1 10 . 1 1 98 98 TYR N N 98 123.922 123.922 121.183 2.739 19766 6425 1 10 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.130 0.007 19766 6426 1 10 . 1 1 98 98 TYR C C 98 177.309 177.309 177.483 -0.174 19766 6427 1 10 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.951 0.278 19766 6428 1 10 . 1 1 98 98 TYR CB C 98 37.290 37.290 37.908 -0.618 19766 6429 1 10 . 1 1 98 98 TYR H H 98 7.558 7.558 7.944 -0.386 19766 6430 1 10 . 1 1 99 99 TYR N N 99 118.047 118.047 117.388 0.659 19766 6431 1 10 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.919 1.189 19766 6432 1 10 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.441 -3.543 19766 6433 1 10 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.167 -0.945 19766 6434 1 10 . 1 1 99 99 TYR H H 99 8.624 8.624 7.477 1.147 19766 6435 1 10 . 1 1 100 100 GLU N N 100 118.804 118.804 118.613 0.191 19766 6436 1 10 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.955 0.111 19766 6437 1 10 . 1 1 100 100 GLU C C 100 178.595 178.595 178.429 0.166 19766 6438 1 10 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.288 0.197 19766 6439 1 10 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.202 0.593 19766 6440 1 10 . 1 1 100 100 GLU H H 100 8.348 8.348 8.678 -0.330 19766 6441 1 10 . 1 1 101 101 ALA N N 101 123.315 123.315 121.796 1.519 19766 6442 1 10 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.084 0.211 19766 6443 1 10 . 1 1 101 101 ALA C C 101 181.438 181.438 179.900 1.538 19766 6444 1 10 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.796 0.062 19766 6445 1 10 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.381 0.296 19766 6446 1 10 . 1 1 101 101 ALA H H 101 7.963 7.963 7.986 -0.023 19766 6447 1 10 . 1 1 102 102 VAL N N 102 120.092 120.092 118.214 1.878 19766 6448 1 10 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.573 0.204 19766 6449 1 10 . 1 1 102 102 VAL C C 102 176.958 176.958 177.607 -0.649 19766 6450 1 10 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.481 0.924 19766 6451 1 10 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.511 0.325 19766 6452 1 10 . 1 1 102 102 VAL H H 102 8.321 8.321 7.535 0.786 19766 6453 1 10 . 1 1 103 103 LYS N N 103 120.226 120.226 119.058 1.168 19766 6454 1 10 . 1 1 103 103 LYS HA H 103 3.926 3.926 3.999 -0.073 19766 6455 1 10 . 1 1 103 103 LYS C C 103 178.354 178.354 178.460 -0.106 19766 6456 1 10 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.368 0.315 19766 6457 1 10 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.660 0.516 19766 6458 1 10 . 1 1 103 103 LYS H H 103 8.266 8.266 7.738 0.528 19766 6459 1 10 . 1 1 104 104 GLU N N 104 116.521 116.521 120.366 -3.845 19766 6460 1 10 . 1 1 104 104 GLU HA H 104 3.961 3.961 3.965 -0.004 19766 6461 1 10 . 1 1 104 104 GLU C C 104 178.628 178.628 179.127 -0.499 19766 6462 1 10 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.601 -0.491 19766 6463 1 10 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.875 0.850 19766 6464 1 10 . 1 1 104 104 GLU H H 104 8.027 8.027 8.353 -0.326 19766 6465 1 10 . 1 1 105 105 GLU N N 105 118.569 118.569 118.737 -0.168 19766 6466 1 10 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.110 -0.210 19766 6467 1 10 . 1 1 105 105 GLU C C 105 178.399 178.399 179.317 -0.918 19766 6468 1 10 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.844 -0.579 19766 6469 1 10 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.333 0.440 19766 6470 1 10 . 1 1 105 105 GLU H H 105 7.225 7.225 7.680 -0.455 19766 6471 1 10 . 1 1 106 106 LEU N N 106 116.938 116.938 119.248 -2.310 19766 6472 1 10 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.079 -0.046 19766 6473 1 10 . 1 1 106 106 LEU C C 106 179.770 179.770 179.197 0.573 19766 6474 1 10 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.373 -0.448 19766 6475 1 10 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.719 -1.434 19766 6476 1 10 . 1 1 106 106 LEU H H 106 8.273 8.273 7.256 1.017 19766 6477 1 10 . 1 1 107 107 ASP N N 107 119.855 119.855 119.501 0.354 19766 6478 1 10 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.313 0.235 19766 6479 1 10 . 1 1 107 107 ASP C C 107 177.891 177.891 178.446 -0.555 19766 6480 1 10 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.733 -1.800 19766 6481 1 10 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.851 -0.137 19766 6482 1 10 . 1 1 107 107 ASP H H 107 8.286 8.286 8.880 -0.594 19766 6483 1 10 . 1 1 108 108 ARG N N 108 118.853 118.853 118.586 0.267 19766 6484 1 10 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.168 -0.087 19766 6485 1 10 . 1 1 108 108 ARG C C 108 177.325 177.325 177.908 -0.583 19766 6486 1 10 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.364 -0.355 19766 6487 1 10 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.509 0.895 19766 6488 1 10 . 1 1 108 108 ARG H H 108 7.406 7.406 7.686 -0.280 19766 6489 1 10 . 1 1 109 109 ASP N N 109 119.636 119.636 117.930 1.706 19766 6490 1 10 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.507 0.028 19766 6491 1 10 . 1 1 109 109 ASP C C 109 176.758 176.758 177.553 -0.795 19766 6492 1 10 . 1 1 109 109 ASP CA C 109 55.238 55.238 56.896 -1.658 19766 6493 1 10 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.050 -0.305 19766 6494 1 10 . 1 1 109 109 ASP H H 109 7.853 7.853 7.677 0.176 19766 6495 1 10 . 1 1 110 110 ILE N N 110 119.905 119.905 118.108 1.797 19766 6496 1 10 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.930 0.174 19766 6497 1 10 . 1 1 110 110 ILE C C 110 176.642 176.642 176.933 -0.291 19766 6498 1 10 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.436 -1.660 19766 6499 1 10 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.450 0.004 19766 6500 1 10 . 1 1 110 110 ILE H H 110 7.623 7.623 7.820 -0.197 19766 6501 1 10 . 1 1 111 111 VAL N N 111 122.938 122.938 121.490 1.448 19766 6502 1 10 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.883 0.195 19766 6503 1 10 . 1 1 111 111 VAL C C 111 176.668 176.668 175.506 1.162 19766 6504 1 10 . 1 1 111 111 VAL CA C 111 63.037 63.037 63.540 -0.503 19766 6505 1 10 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.449 0.033 19766 6506 1 10 . 1 1 111 111 VAL H H 111 8.043 8.043 7.812 0.231 19766 6507 1 10 . 1 1 112 112 SER N N 112 118.345 118.345 123.179 -4.834 19766 6508 1 10 . 1 1 112 112 SER HA H 112 4.417 4.417 4.515 -0.098 19766 6509 1 10 . 1 1 112 112 SER C C 112 174.925 174.925 174.273 0.652 19766 6510 1 10 . 1 1 112 112 SER CA C 112 58.848 58.848 58.496 0.352 19766 6511 1 10 . 1 1 112 112 SER CB C 112 63.551 63.551 63.911 -0.360 19766 6512 1 10 . 1 1 112 112 SER H H 112 8.210 8.210 8.370 -0.160 19766 6513 1 10 . 1 1 113 113 LYS N N 113 122.729 122.729 122.791 -0.062 19766 6514 1 10 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.186 0.132 19766 6515 1 10 . 1 1 113 113 LYS CA C 113 56.596 56.596 57.484 -0.888 19766 6516 1 10 . 1 1 113 113 LYS CB C 113 32.846 32.846 32.623 0.223 19766 6517 1 10 . 1 1 113 113 LYS H H 113 8.295 8.295 8.675 -0.380 19766 6518 1 10 . 1 1 114 114 ASN N N 114 119.243 119.243 118.709 0.534 19766 6519 1 10 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.642 0.036 19766 6520 1 10 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.067 0.416 19766 6521 1 10 . 1 1 114 114 ASN CB C 114 38.858 38.858 37.474 1.384 19766 6522 1 10 . 1 1 114 114 ASN H H 114 8.372 8.372 8.035 0.337 19766 6523 1 10 . 1 1 115 115 ASN N N 115 119.155 119.155 122.067 -2.912 19766 6524 1 10 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.903 -0.221 19766 6525 1 10 . 1 1 115 115 ASN C C 115 174.877 174.877 173.853 1.024 19766 6526 1 10 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.399 0.084 19766 6527 1 10 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.294 -0.436 19766 6528 1 10 . 1 1 115 115 ASN H H 115 8.372 8.372 8.040 0.332 19766 6529 1 10 . 1 1 116 116 ALA N N 116 123.743 123.743 125.472 -1.729 19766 6530 1 10 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.440 -0.111 19766 6531 1 10 . 1 1 116 116 ALA C C 116 177.574 177.574 176.224 1.350 19766 6532 1 10 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.225 0.468 19766 6533 1 10 . 1 1 116 116 ALA CB C 116 19.347 19.347 20.512 -1.165 19766 6534 1 10 . 1 1 116 116 ALA H H 116 8.116 8.116 8.498 -0.382 19766 6535 1 10 . 1 1 117 117 GLU N N 117 120.161 120.161 122.686 -2.525 19766 6536 1 10 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.625 -0.352 19766 6537 1 10 . 1 1 117 117 GLU C C 117 175.557 175.557 175.552 0.005 19766 6538 1 10 . 1 1 117 117 GLU CA C 117 56.659 56.659 55.888 0.771 19766 6539 1 10 . 1 1 117 117 GLU CB C 117 30.154 30.154 28.637 1.517 19766 6540 1 10 . 1 1 117 117 GLU H H 117 8.220 8.220 8.635 -0.415 19766 6541 1 11 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.239 0.101 19766 6542 1 11 . 1 1 2 2 ALA C C 2 177.830 177.830 175.160 2.670 19766 6543 1 11 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.731 0.962 19766 6544 1 11 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.544 -0.185 19766 6545 1 11 . 1 1 3 3 MET N N 3 119.580 119.580 121.967 -2.387 19766 6546 1 11 . 1 1 3 3 MET HA H 3 4.482 4.482 4.930 -0.448 19766 6547 1 11 . 1 1 3 3 MET C C 3 176.714 176.714 176.013 0.701 19766 6548 1 11 . 1 1 3 3 MET CA C 3 55.590 55.590 54.054 1.536 19766 6549 1 11 . 1 1 3 3 MET CB C 3 32.922 32.922 33.322 -0.400 19766 6550 1 11 . 1 1 3 3 MET H H 3 8.451 8.451 8.055 0.396 19766 6551 1 11 . 1 1 4 4 GLY N N 4 109.951 109.951 110.311 -0.360 19766 6552 1 11 . 1 1 4 4 GLY C C 4 174.082 174.082 175.005 -0.923 19766 6553 1 11 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.904 -0.438 19766 6554 1 11 . 1 1 4 4 GLY H H 4 8.400 8.400 10.012 -1.612 19766 6555 1 11 . 1 1 5 5 ASN N N 5 118.667 118.667 118.944 -0.277 19766 6556 1 11 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.641 0.043 19766 6557 1 11 . 1 1 5 5 ASN C C 5 175.489 175.489 175.956 -0.467 19766 6558 1 11 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.454 -0.953 19766 6559 1 11 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.172 0.794 19766 6560 1 11 . 1 1 5 5 ASN H H 5 8.378 8.378 8.984 -0.606 19766 6561 1 11 . 1 1 6 6 GLU N N 6 120.908 120.908 118.460 2.448 19766 6562 1 11 . 1 1 6 6 GLU HA H 6 4.166 4.166 3.930 0.236 19766 6563 1 11 . 1 1 6 6 GLU C C 6 176.336 176.336 176.872 -0.536 19766 6564 1 11 . 1 1 6 6 GLU CA C 6 57.269 57.269 58.516 -1.247 19766 6565 1 11 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.246 0.490 19766 6566 1 11 . 1 1 6 6 GLU H H 6 8.620 8.620 8.469 0.151 19766 6567 1 11 . 1 1 7 7 TYR N N 7 120.339 120.339 118.686 1.653 19766 6568 1 11 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.661 -0.161 19766 6569 1 11 . 1 1 7 7 TYR C C 7 175.808 175.808 175.733 0.075 19766 6570 1 11 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.541 1.610 19766 6571 1 11 . 1 1 7 7 TYR CB C 7 38.194 38.194 37.000 1.194 19766 6572 1 11 . 1 1 7 7 TYR H H 7 8.045 8.045 7.985 0.060 19766 6573 1 11 . 1 1 8 8 LYS N N 8 121.700 121.700 123.721 -2.021 19766 6574 1 11 . 1 1 8 8 LYS HA H 8 4.150 4.150 3.480 0.670 19766 6575 1 11 . 1 1 8 8 LYS C C 8 175.868 175.868 175.731 0.137 19766 6576 1 11 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.005 -0.443 19766 6577 1 11 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.293 0.865 19766 6578 1 11 . 1 1 8 8 LYS H H 8 7.829 7.829 8.360 -0.531 19766 6579 1 11 . 1 1 9 9 ASP N N 9 119.811 119.811 115.458 4.353 19766 6580 1 11 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.507 0.131 19766 6581 1 11 . 1 1 9 9 ASP C C 9 175.972 175.972 176.172 -0.200 19766 6582 1 11 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.236 0.388 19766 6583 1 11 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.271 1.268 19766 6584 1 11 . 1 1 9 9 ASP H H 9 8.137 8.137 8.133 0.004 19766 6585 1 11 . 1 1 10 10 ASN N N 10 119.794 119.794 120.587 -0.793 19766 6586 1 11 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.873 0.099 19766 6587 1 11 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.399 -0.554 19766 6588 1 11 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.392 0.367 19766 6589 1 11 . 1 1 10 10 ASN H H 10 8.292 8.292 7.569 0.723 19766 6590 1 11 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.416 0.187 19766 6591 1 11 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.438 -0.189 19766 6592 1 11 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.510 -0.322 19766 6593 1 11 . 1 1 12 12 TYR N N 12 118.889 118.889 118.864 0.025 19766 6594 1 11 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.092 0.052 19766 6595 1 11 . 1 1 12 12 TYR C C 12 177.773 177.773 175.760 2.013 19766 6596 1 11 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.731 -1.548 19766 6597 1 11 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.372 3.210 19766 6598 1 11 . 1 1 12 12 TYR H H 12 8.057 8.057 7.994 0.063 19766 6599 1 11 . 1 1 13 13 ILE N N 13 112.765 112.765 118.452 -5.687 19766 6600 1 11 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.160 -0.006 19766 6601 1 11 . 1 1 13 13 ILE C C 13 174.312 174.312 174.491 -0.179 19766 6602 1 11 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.051 0.985 19766 6603 1 11 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.207 -1.311 19766 6604 1 11 . 1 1 13 13 ILE H H 13 9.310 9.310 9.440 -0.130 19766 6605 1 11 . 1 1 14 14 TYR N N 14 124.417 124.417 127.924 -3.507 19766 6606 1 11 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.801 -0.094 19766 6607 1 11 . 1 1 14 14 TYR C C 14 173.058 173.058 173.759 -0.701 19766 6608 1 11 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.036 -0.824 19766 6609 1 11 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.748 0.471 19766 6610 1 11 . 1 1 14 14 TYR H H 14 9.252 9.252 9.108 0.144 19766 6611 1 11 . 1 1 15 15 ILE N N 15 127.660 127.660 128.291 -0.631 19766 6612 1 11 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.803 -0.538 19766 6613 1 11 . 1 1 15 15 ILE C C 15 173.705 173.705 174.385 -0.680 19766 6614 1 11 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.674 -0.188 19766 6615 1 11 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.322 1.681 19766 6616 1 11 . 1 1 15 15 ILE H H 15 8.558 8.558 8.674 -0.116 19766 6617 1 11 . 1 1 16 16 GLY N N 16 112.792 112.792 115.434 -2.642 19766 6618 1 11 . 1 1 16 16 GLY C C 16 173.110 173.110 173.072 0.038 19766 6619 1 11 . 1 1 16 16 GLY CA C 16 43.249 43.249 44.277 -1.028 19766 6620 1 11 . 1 1 16 16 GLY H H 16 9.516 9.516 8.361 1.155 19766 6621 1 11 . 1 1 17 17 ASN N N 17 115.139 115.139 120.191 -5.052 19766 6622 1 11 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.652 -0.256 19766 6623 1 11 . 1 1 17 17 ASN C C 17 174.854 174.854 173.273 1.581 19766 6624 1 11 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.637 -0.401 19766 6625 1 11 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.972 -1.039 19766 6626 1 11 . 1 1 17 17 ASN H H 17 8.511 8.511 7.840 0.671 19766 6627 1 11 . 1 1 18 18 LEU N N 18 114.660 114.660 121.711 -7.051 19766 6628 1 11 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.567 -0.531 19766 6629 1 11 . 1 1 18 18 LEU C C 18 178.161 178.161 175.675 2.486 19766 6630 1 11 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.145 0.739 19766 6631 1 11 . 1 1 18 18 LEU CB C 18 42.562 42.562 44.748 -2.186 19766 6632 1 11 . 1 1 18 18 LEU H H 18 7.839 7.839 8.074 -0.235 19766 6633 1 11 . 1 1 19 19 ASN N N 19 122.707 122.707 118.843 3.864 19766 6634 1 11 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.611 -0.248 19766 6635 1 11 . 1 1 19 19 ASN C C 19 178.037 178.037 176.844 1.193 19766 6636 1 11 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.718 1.886 19766 6637 1 11 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.168 -1.356 19766 6638 1 11 . 1 1 19 19 ASN H H 19 8.779 8.779 8.516 0.263 19766 6639 1 11 . 1 1 20 20 ARG N N 20 128.724 128.724 123.088 5.636 19766 6640 1 11 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.869 -0.016 19766 6641 1 11 . 1 1 20 20 ARG C C 20 175.612 175.612 176.512 -0.900 19766 6642 1 11 . 1 1 20 20 ARG CA C 20 58.774 58.774 59.039 -0.265 19766 6643 1 11 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.066 -0.382 19766 6644 1 11 . 1 1 20 20 ARG H H 20 8.954 8.954 8.759 0.195 19766 6645 1 11 . 1 1 21 21 GLU N N 21 117.609 117.609 114.924 2.685 19766 6646 1 11 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.191 0.082 19766 6647 1 11 . 1 1 21 21 GLU C C 21 177.285 177.285 176.604 0.681 19766 6648 1 11 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.073 0.709 19766 6649 1 11 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.837 1.661 19766 6650 1 11 . 1 1 21 21 GLU H H 21 9.092 9.092 8.232 0.860 19766 6651 1 11 . 1 1 22 22 LEU N N 22 116.169 116.169 123.650 -7.481 19766 6652 1 11 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.389 0.167 19766 6653 1 11 . 1 1 22 22 LEU C C 22 178.328 178.328 176.235 2.093 19766 6654 1 11 . 1 1 22 22 LEU CA C 22 55.656 55.656 55.075 0.580 19766 6655 1 11 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.256 0.970 19766 6656 1 11 . 1 1 22 22 LEU H H 22 7.208 7.208 7.959 -0.751 19766 6657 1 11 . 1 1 23 23 THR N N 23 113.733 113.733 118.909 -5.176 19766 6658 1 11 . 1 1 23 23 THR HA H 23 4.349 4.349 4.569 -0.220 19766 6659 1 11 . 1 1 23 23 THR C C 23 175.225 175.225 175.304 -0.079 19766 6660 1 11 . 1 1 23 23 THR CA C 23 59.960 59.960 59.786 0.174 19766 6661 1 11 . 1 1 23 23 THR CB C 23 72.172 72.172 71.129 1.043 19766 6662 1 11 . 1 1 23 23 THR H H 23 8.732 8.732 8.244 0.488 19766 6663 1 11 . 1 1 24 24 GLU N N 24 119.838 119.838 121.522 -1.684 19766 6664 1 11 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.092 -0.435 19766 6665 1 11 . 1 1 24 24 GLU C C 24 178.983 178.983 178.499 0.484 19766 6666 1 11 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.736 2.835 19766 6667 1 11 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.377 -2.031 19766 6668 1 11 . 1 1 24 24 GLU H H 24 9.761 9.761 8.892 0.869 19766 6669 1 11 . 1 1 25 25 GLY N N 25 104.462 104.462 105.740 -1.278 19766 6670 1 11 . 1 1 25 25 GLY C C 25 175.139 175.139 175.485 -0.346 19766 6671 1 11 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.646 0.959 19766 6672 1 11 . 1 1 25 25 GLY H H 25 8.486 8.486 8.533 -0.047 19766 6673 1 11 . 1 1 26 26 ASP N N 26 123.296 123.296 123.085 0.211 19766 6674 1 11 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.536 0.034 19766 6675 1 11 . 1 1 26 26 ASP C C 26 178.135 178.135 178.178 -0.043 19766 6676 1 11 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.198 0.614 19766 6677 1 11 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.049 0.836 19766 6678 1 11 . 1 1 26 26 ASP H H 26 7.960 7.960 7.560 0.400 19766 6679 1 11 . 1 1 27 27 ILE N N 27 118.853 118.853 120.920 -2.067 19766 6680 1 11 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.782 -0.175 19766 6681 1 11 . 1 1 27 27 ILE C C 27 178.424 178.424 178.330 0.094 19766 6682 1 11 . 1 1 27 27 ILE CA C 27 65.741 65.741 64.952 0.789 19766 6683 1 11 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.796 -0.084 19766 6684 1 11 . 1 1 27 27 ILE H H 27 8.159 8.159 7.655 0.504 19766 6685 1 11 . 1 1 28 28 LEU N N 28 118.549 118.549 120.541 -1.992 19766 6686 1 11 . 1 1 28 28 LEU HA H 28 3.904 3.904 4.066 -0.162 19766 6687 1 11 . 1 1 28 28 LEU C C 28 180.057 180.057 179.611 0.446 19766 6688 1 11 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.642 -0.111 19766 6689 1 11 . 1 1 28 28 LEU CB C 28 41.945 41.945 40.908 1.037 19766 6690 1 11 . 1 1 28 28 LEU H H 28 8.414 8.414 8.324 0.090 19766 6691 1 11 . 1 1 29 29 THR N N 29 122.156 122.156 115.111 7.045 19766 6692 1 11 . 1 1 29 29 THR HA H 29 4.032 4.032 4.000 0.032 19766 6693 1 11 . 1 1 29 29 THR C C 29 175.113 175.113 175.935 -0.822 19766 6694 1 11 . 1 1 29 29 THR CA C 29 66.754 66.754 66.070 0.684 19766 6695 1 11 . 1 1 29 29 THR CB C 29 68.490 68.490 68.922 -0.432 19766 6696 1 11 . 1 1 29 29 THR H H 29 8.715 8.715 7.747 0.968 19766 6697 1 11 . 1 1 30 30 VAL N N 30 116.487 116.487 120.324 -3.837 19766 6698 1 11 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.866 -0.035 19766 6699 1 11 . 1 1 30 30 VAL C C 30 179.968 179.968 177.887 2.081 19766 6700 1 11 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.544 -0.029 19766 6701 1 11 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.848 1.196 19766 6702 1 11 . 1 1 30 30 VAL H H 30 7.713 7.713 7.858 -0.145 19766 6703 1 11 . 1 1 31 31 PHE N N 31 113.658 113.658 119.328 -5.670 19766 6704 1 11 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.767 -0.900 19766 6705 1 11 . 1 1 31 31 PHE C C 31 179.577 179.577 178.635 0.942 19766 6706 1 11 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.034 2.369 19766 6707 1 11 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.365 -1.052 19766 6708 1 11 . 1 1 31 31 PHE H H 31 8.876 8.876 9.114 -0.238 19766 6709 1 11 . 1 1 32 32 SER N N 32 118.635 118.635 116.322 2.313 19766 6710 1 11 . 1 1 32 32 SER HA H 32 5.381 5.381 4.714 0.667 19766 6711 1 11 . 1 1 32 32 SER C C 32 172.662 172.662 176.416 -3.754 19766 6712 1 11 . 1 1 32 32 SER CA C 32 61.338 61.338 61.182 0.156 19766 6713 1 11 . 1 1 32 32 SER CB C 32 63.875 63.875 62.923 0.952 19766 6714 1 11 . 1 1 32 32 SER H H 32 8.106 8.106 8.464 -0.358 19766 6715 1 11 . 1 1 33 33 GLU N N 33 121.234 121.234 121.541 -0.307 19766 6716 1 11 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.031 -1.874 19766 6717 1 11 . 1 1 33 33 GLU C C 33 174.223 174.223 176.593 -2.370 19766 6718 1 11 . 1 1 33 33 GLU CA C 33 59.640 59.640 57.788 1.852 19766 6719 1 11 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.306 -1.475 19766 6720 1 11 . 1 1 33 33 GLU H H 33 6.964 6.964 7.604 -0.640 19766 6721 1 11 . 1 1 34 34 TYR N N 34 107.930 107.930 117.133 -9.203 19766 6722 1 11 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.632 -0.479 19766 6723 1 11 . 1 1 34 34 TYR C C 34 173.208 173.208 174.504 -1.296 19766 6724 1 11 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.268 0.061 19766 6725 1 11 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.118 -0.240 19766 6726 1 11 . 1 1 34 34 TYR H H 34 6.229 6.229 7.628 -1.399 19766 6727 1 11 . 1 1 35 35 GLY N N 35 103.542 103.542 105.551 -2.009 19766 6728 1 11 . 1 1 35 35 GLY C C 35 170.379 170.379 172.142 -1.763 19766 6729 1 11 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.957 -0.278 19766 6730 1 11 . 1 1 35 35 GLY H H 35 7.257 7.257 7.579 -0.322 19766 6731 1 11 . 1 1 36 36 VAL N N 36 120.446 120.446 121.825 -1.379 19766 6732 1 11 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.506 -0.002 19766 6733 1 11 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.082 0.633 19766 6734 1 11 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.324 0.707 19766 6735 1 11 . 1 1 36 36 VAL H H 36 8.438 8.438 8.559 -0.121 19766 6736 1 11 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.020 0.683 19766 6737 1 11 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.965 -0.591 19766 6738 1 11 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.555 0.516 19766 6739 1 11 . 1 1 38 38 VAL N N 38 113.929 113.929 116.717 -2.788 19766 6740 1 11 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.237 0.245 19766 6741 1 11 . 1 1 38 38 VAL CA C 38 60.454 60.454 61.690 -1.236 19766 6742 1 11 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.871 -0.367 19766 6743 1 11 . 1 1 38 38 VAL H H 38 8.966 8.966 8.340 0.626 19766 6744 1 11 . 1 1 39 39 ASP N N 39 118.213 118.213 120.128 -1.915 19766 6745 1 11 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.943 -0.268 19766 6746 1 11 . 1 1 39 39 ASP C C 39 174.637 174.637 173.816 0.821 19766 6747 1 11 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.876 0.812 19766 6748 1 11 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.710 -0.903 19766 6749 1 11 . 1 1 39 39 ASP H H 39 7.500 7.500 7.796 -0.296 19766 6750 1 11 . 1 1 40 40 VAL N N 40 121.576 121.576 123.677 -2.101 19766 6751 1 11 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.848 0.143 19766 6752 1 11 . 1 1 40 40 VAL C C 40 170.562 170.562 173.997 -3.435 19766 6753 1 11 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.294 0.064 19766 6754 1 11 . 1 1 40 40 VAL CB C 40 34.219 34.219 35.218 -0.999 19766 6755 1 11 . 1 1 40 40 VAL H H 40 7.657 7.657 8.390 -0.733 19766 6756 1 11 . 1 1 41 41 ILE N N 41 125.384 125.384 125.520 -0.136 19766 6757 1 11 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.591 0.227 19766 6758 1 11 . 1 1 41 41 ILE C C 41 175.425 175.425 173.253 2.172 19766 6759 1 11 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.310 2.180 19766 6760 1 11 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.877 1.679 19766 6761 1 11 . 1 1 41 41 ILE H H 41 8.901 8.901 9.049 -0.148 19766 6762 1 11 . 1 1 42 42 LEU N N 42 128.888 128.888 127.593 1.295 19766 6763 1 11 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.793 -0.332 19766 6764 1 11 . 1 1 42 42 LEU C C 42 174.934 174.934 175.694 -0.760 19766 6765 1 11 . 1 1 42 42 LEU CA C 42 53.377 53.377 52.981 0.396 19766 6766 1 11 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.891 -0.352 19766 6767 1 11 . 1 1 42 42 LEU H H 42 8.344 8.344 9.094 -0.750 19766 6768 1 11 . 1 1 43 43 SER N N 43 122.818 122.818 122.166 0.652 19766 6769 1 11 . 1 1 43 43 SER HA H 43 3.876 3.876 4.509 -0.633 19766 6770 1 11 . 1 1 43 43 SER C C 43 173.869 173.869 172.975 0.894 19766 6771 1 11 . 1 1 43 43 SER CA C 43 59.688 59.688 58.344 1.344 19766 6772 1 11 . 1 1 43 43 SER CB C 43 62.673 62.673 63.165 -0.492 19766 6773 1 11 . 1 1 43 43 SER H H 43 8.362 8.362 8.906 -0.544 19766 6774 1 11 . 1 1 44 44 ARG N N 44 128.045 128.045 124.670 3.375 19766 6775 1 11 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.855 -0.026 19766 6776 1 11 . 1 1 44 44 ARG C C 44 175.031 175.031 174.704 0.327 19766 6777 1 11 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.759 0.303 19766 6778 1 11 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.464 0.834 19766 6779 1 11 . 1 1 44 44 ARG H H 44 8.079 8.079 7.628 0.451 19766 6780 1 11 . 1 1 45 45 ASP N N 45 123.491 123.491 121.013 2.478 19766 6781 1 11 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.444 -0.207 19766 6782 1 11 . 1 1 45 45 ASP C C 45 177.487 177.487 176.970 0.517 19766 6783 1 11 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.906 0.011 19766 6784 1 11 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.655 0.956 19766 6785 1 11 . 1 1 45 45 ASP H H 45 8.663 8.663 8.570 0.093 19766 6786 1 11 . 1 1 46 46 GLU N N 46 125.446 125.446 125.266 0.180 19766 6787 1 11 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.069 -0.162 19766 6788 1 11 . 1 1 46 46 GLU C C 46 175.655 175.655 176.860 -1.205 19766 6789 1 11 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.128 0.745 19766 6790 1 11 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.914 -0.260 19766 6791 1 11 . 1 1 46 46 GLU H H 46 9.007 9.007 8.710 0.297 19766 6792 1 11 . 1 1 47 47 ASN N N 47 115.343 115.343 116.266 -0.923 19766 6793 1 11 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.745 0.139 19766 6794 1 11 . 1 1 47 47 ASN C C 47 176.665 176.665 176.617 0.048 19766 6795 1 11 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.703 0.235 19766 6796 1 11 . 1 1 47 47 ASN CB C 47 40.230 40.230 40.704 -0.474 19766 6797 1 11 . 1 1 47 47 ASN H H 47 8.947 8.947 8.717 0.230 19766 6798 1 11 . 1 1 48 48 THR N N 48 107.604 107.604 112.630 -5.026 19766 6799 1 11 . 1 1 48 48 THR HA H 48 4.468 4.468 4.532 -0.064 19766 6800 1 11 . 1 1 48 48 THR C C 48 176.465 176.465 175.040 1.425 19766 6801 1 11 . 1 1 48 48 THR CA C 48 61.555 61.555 62.001 -0.446 19766 6802 1 11 . 1 1 48 48 THR CB C 48 71.342 71.342 70.410 0.932 19766 6803 1 11 . 1 1 48 48 THR H H 48 8.450 8.450 8.799 -0.349 19766 6804 1 11 . 1 1 49 49 GLY N N 49 111.809 111.809 110.892 0.917 19766 6805 1 11 . 1 1 49 49 GLY C C 49 173.193 173.193 173.253 -0.060 19766 6806 1 11 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.753 -0.030 19766 6807 1 11 . 1 1 49 49 GLY H H 49 8.632 8.632 7.740 0.892 19766 6808 1 11 . 1 1 50 50 GLU N N 50 120.089 120.089 117.882 2.207 19766 6809 1 11 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.319 -0.186 19766 6810 1 11 . 1 1 50 50 GLU C C 50 176.586 176.586 175.581 1.005 19766 6811 1 11 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.538 1.994 19766 6812 1 11 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.412 0.672 19766 6813 1 11 . 1 1 50 50 GLU H H 50 7.825 7.825 7.874 -0.049 19766 6814 1 11 . 1 1 51 51 SER N N 51 115.686 115.686 117.362 -1.676 19766 6815 1 11 . 1 1 51 51 SER HA H 51 4.273 4.273 4.434 -0.161 19766 6816 1 11 . 1 1 51 51 SER C C 51 176.516 176.516 175.347 1.169 19766 6817 1 11 . 1 1 51 51 SER CA C 51 58.415 58.415 57.843 0.573 19766 6818 1 11 . 1 1 51 51 SER CB C 51 64.668 64.668 63.546 1.122 19766 6819 1 11 . 1 1 51 51 SER H H 51 8.871 8.871 8.911 -0.040 19766 6820 1 11 . 1 1 52 52 GLN N N 52 123.284 123.284 128.042 -4.758 19766 6821 1 11 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.321 0.170 19766 6822 1 11 . 1 1 52 52 GLN C C 52 177.471 177.471 176.664 0.807 19766 6823 1 11 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.737 -0.590 19766 6824 1 11 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.587 0.293 19766 6825 1 11 . 1 1 52 52 GLN H H 52 9.103 9.103 8.523 0.580 19766 6826 1 11 . 1 1 53 53 GLY N N 53 105.865 105.865 106.921 -1.056 19766 6827 1 11 . 1 1 53 53 GLY C C 53 172.010 172.010 172.748 -0.738 19766 6828 1 11 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.081 1.564 19766 6829 1 11 . 1 1 53 53 GLY H H 53 8.888 8.888 7.692 1.196 19766 6830 1 11 . 1 1 54 54 PHE N N 54 112.097 112.097 117.926 -5.829 19766 6831 1 11 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.287 0.059 19766 6832 1 11 . 1 1 54 54 PHE C C 54 171.548 171.548 173.285 -1.737 19766 6833 1 11 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.721 -0.050 19766 6834 1 11 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.539 -1.859 19766 6835 1 11 . 1 1 54 54 PHE H H 54 6.879 6.879 7.122 -0.243 19766 6836 1 11 . 1 1 55 55 ALA N N 55 122.332 122.332 121.676 0.656 19766 6837 1 11 . 1 1 55 55 ALA HA H 55 5.123 5.123 5.052 0.071 19766 6838 1 11 . 1 1 55 55 ALA C C 55 173.074 173.074 174.580 -1.506 19766 6839 1 11 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.828 -1.299 19766 6840 1 11 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.815 2.924 19766 6841 1 11 . 1 1 55 55 ALA H H 55 9.051 9.051 8.905 0.146 19766 6842 1 11 . 1 1 56 56 TYR N N 56 115.022 115.022 116.226 -1.204 19766 6843 1 11 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.821 -0.147 19766 6844 1 11 . 1 1 56 56 TYR C C 56 175.292 175.292 174.285 1.007 19766 6845 1 11 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.527 -0.946 19766 6846 1 11 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.098 -0.751 19766 6847 1 11 . 1 1 56 56 TYR H H 56 9.007 9.007 8.983 0.024 19766 6848 1 11 . 1 1 57 57 LEU N N 57 122.695 122.695 121.488 1.207 19766 6849 1 11 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.338 -0.579 19766 6850 1 11 . 1 1 57 57 LEU C C 57 172.173 172.173 173.981 -1.808 19766 6851 1 11 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.741 1.075 19766 6852 1 11 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.460 0.446 19766 6853 1 11 . 1 1 57 57 LEU H H 57 8.648 8.648 8.944 -0.296 19766 6854 1 11 . 1 1 58 58 LYS N N 58 125.954 125.954 119.619 6.335 19766 6855 1 11 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.785 -0.320 19766 6856 1 11 . 1 1 58 58 LYS C C 58 174.900 174.900 174.283 0.617 19766 6857 1 11 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.153 -0.530 19766 6858 1 11 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.765 0.781 19766 6859 1 11 . 1 1 58 58 LYS H H 58 7.948 7.948 8.713 -0.765 19766 6860 1 11 . 1 1 59 59 TYR N N 59 126.396 126.396 121.195 5.201 19766 6861 1 11 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.931 0.169 19766 6862 1 11 . 1 1 59 59 TYR CA C 59 57.974 57.974 56.968 1.006 19766 6863 1 11 . 1 1 59 59 TYR CB C 59 42.498 42.498 40.325 2.174 19766 6864 1 11 . 1 1 59 59 TYR H H 59 9.007 9.007 8.188 0.819 19766 6865 1 11 . 1 1 60 60 GLU N N 60 120.848 120.848 122.762 -1.914 19766 6866 1 11 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.459 -0.586 19766 6867 1 11 . 1 1 60 60 GLU C C 60 175.081 175.081 175.138 -0.057 19766 6868 1 11 . 1 1 60 60 GLU CA C 60 59.053 59.053 56.531 2.522 19766 6869 1 11 . 1 1 60 60 GLU CB C 60 30.867 30.867 29.123 1.744 19766 6870 1 11 . 1 1 60 60 GLU H H 60 8.973 8.973 9.106 -0.133 19766 6871 1 11 . 1 1 61 61 ASP N N 61 117.604 117.604 120.863 -3.259 19766 6872 1 11 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.619 0.247 19766 6873 1 11 . 1 1 61 61 ASP C C 61 176.598 176.598 175.004 1.594 19766 6874 1 11 . 1 1 61 61 ASP CA C 61 51.112 51.112 54.528 -3.416 19766 6875 1 11 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.344 1.079 19766 6876 1 11 . 1 1 61 61 ASP H H 61 8.017 8.017 7.718 0.299 19766 6877 1 11 . 1 1 62 62 GLN N N 62 126.427 126.427 125.028 1.399 19766 6878 1 11 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.195 0.075 19766 6879 1 11 . 1 1 62 62 GLN C C 62 178.514 178.514 177.608 0.906 19766 6880 1 11 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.406 0.099 19766 6881 1 11 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.138 -1.165 19766 6882 1 11 . 1 1 62 62 GLN H H 62 9.007 9.007 8.811 0.196 19766 6883 1 11 . 1 1 63 63 ARG N N 63 121.369 121.369 119.818 1.551 19766 6884 1 11 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.049 -0.329 19766 6885 1 11 . 1 1 63 63 ARG C C 63 178.566 178.566 178.626 -0.060 19766 6886 1 11 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.724 -0.641 19766 6887 1 11 . 1 1 63 63 ARG H H 63 9.013 9.013 9.000 0.013 19766 6888 1 11 . 1 1 64 64 SER N N 64 115.216 115.216 114.560 0.656 19766 6889 1 11 . 1 1 64 64 SER HA H 64 3.746 3.746 4.151 -0.405 19766 6890 1 11 . 1 1 64 64 SER C C 64 175.695 175.695 176.007 -0.312 19766 6891 1 11 . 1 1 64 64 SER CA C 64 63.651 63.651 61.463 2.188 19766 6892 1 11 . 1 1 64 64 SER H H 64 8.207 8.207 7.607 0.600 19766 6893 1 11 . 1 1 65 65 THR N N 65 111.402 111.402 120.103 -8.701 19766 6894 1 11 . 1 1 65 65 THR HA H 65 3.785 3.785 4.200 -0.415 19766 6895 1 11 . 1 1 65 65 THR C C 65 175.556 175.556 176.317 -0.761 19766 6896 1 11 . 1 1 65 65 THR CA C 65 66.178 66.178 67.631 -1.453 19766 6897 1 11 . 1 1 65 65 THR CB C 65 68.414 68.414 68.761 -0.347 19766 6898 1 11 . 1 1 65 65 THR H H 65 7.640 7.640 7.322 0.318 19766 6899 1 11 . 1 1 66 66 ILE N N 66 122.905 122.905 121.716 1.189 19766 6900 1 11 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.880 -0.178 19766 6901 1 11 . 1 1 66 66 ILE C C 66 177.292 177.292 177.734 -0.442 19766 6902 1 11 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.285 -1.031 19766 6903 1 11 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.782 0.617 19766 6904 1 11 . 1 1 66 66 ILE H H 66 6.702 6.702 8.184 -1.482 19766 6905 1 11 . 1 1 67 67 LEU N N 67 114.425 114.425 121.043 -6.618 19766 6906 1 11 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.938 -0.208 19766 6907 1 11 . 1 1 67 67 LEU C C 67 179.641 179.641 178.114 1.527 19766 6908 1 11 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.608 -0.021 19766 6909 1 11 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.259 0.423 19766 6910 1 11 . 1 1 67 67 LEU H H 67 6.975 6.975 8.125 -1.150 19766 6911 1 11 . 1 1 68 68 ALA N N 68 120.639 120.639 121.812 -1.173 19766 6912 1 11 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.367 0.068 19766 6913 1 11 . 1 1 68 68 ALA C C 68 179.087 179.087 179.683 -0.596 19766 6914 1 11 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.900 0.836 19766 6915 1 11 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.185 0.828 19766 6916 1 11 . 1 1 68 68 ALA H H 68 8.225 8.225 8.043 0.182 19766 6917 1 11 . 1 1 69 69 VAL N N 69 118.866 118.866 117.803 1.063 19766 6918 1 11 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.568 -0.329 19766 6919 1 11 . 1 1 69 69 VAL C C 69 178.798 178.798 177.492 1.306 19766 6920 1 11 . 1 1 69 69 VAL CA C 69 67.025 67.025 67.197 -0.172 19766 6921 1 11 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.432 0.405 19766 6922 1 11 . 1 1 69 69 VAL H H 69 8.162 8.162 7.703 0.459 19766 6923 1 11 . 1 1 70 70 ASP N N 70 117.230 117.230 116.751 0.479 19766 6924 1 11 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.498 -0.444 19766 6925 1 11 . 1 1 70 70 ASP C C 70 178.297 178.297 176.655 1.642 19766 6926 1 11 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.398 0.871 19766 6927 1 11 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.810 -2.188 19766 6928 1 11 . 1 1 70 70 ASP H H 70 8.262 8.262 7.989 0.273 19766 6929 1 11 . 1 1 71 71 ASN N N 71 111.214 111.214 116.442 -5.228 19766 6930 1 11 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.695 0.168 19766 6931 1 11 . 1 1 71 71 ASN C C 71 176.614 176.614 176.677 -0.063 19766 6932 1 11 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.431 1.170 19766 6933 1 11 . 1 1 71 71 ASN CB C 71 41.600 41.600 40.044 1.556 19766 6934 1 11 . 1 1 71 71 ASN H H 71 7.541 7.541 8.135 -0.594 19766 6935 1 11 . 1 1 72 72 LEU N N 72 116.127 116.127 119.016 -2.889 19766 6936 1 11 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.236 0.413 19766 6937 1 11 . 1 1 72 72 LEU C C 72 177.465 177.465 176.241 1.224 19766 6938 1 11 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.783 -0.432 19766 6939 1 11 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.795 0.753 19766 6940 1 11 . 1 1 72 72 LEU H H 72 8.323 8.323 7.502 0.821 19766 6941 1 11 . 1 1 73 73 ASN N N 73 118.792 118.792 117.285 1.507 19766 6942 1 11 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.577 -0.166 19766 6943 1 11 . 1 1 73 73 ASN C C 73 177.085 177.085 176.252 0.833 19766 6944 1 11 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.910 1.644 19766 6945 1 11 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.709 0.750 19766 6946 1 11 . 1 1 73 73 ASN H H 73 6.965 6.965 7.436 -0.471 19766 6947 1 11 . 1 1 74 74 GLY N N 74 115.779 115.779 114.038 1.741 19766 6948 1 11 . 1 1 74 74 GLY C C 74 172.848 172.848 173.863 -1.015 19766 6949 1 11 . 1 1 74 74 GLY CA C 74 45.758 45.758 45.051 0.707 19766 6950 1 11 . 1 1 74 74 GLY H H 74 9.389 9.389 8.990 0.399 19766 6951 1 11 . 1 1 75 75 PHE N N 75 123.194 123.194 122.233 0.961 19766 6952 1 11 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.507 -0.220 19766 6953 1 11 . 1 1 75 75 PHE C C 75 174.778 174.778 174.603 0.175 19766 6954 1 11 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.830 1.043 19766 6955 1 11 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.828 0.774 19766 6956 1 11 . 1 1 75 75 PHE H H 75 8.133 8.133 7.690 0.443 19766 6957 1 11 . 1 1 76 76 LYS N N 76 127.364 127.364 128.236 -0.872 19766 6958 1 11 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.656 0.015 19766 6959 1 11 . 1 1 76 76 LYS C C 76 175.286 175.286 175.746 -0.460 19766 6960 1 11 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.836 0.416 19766 6961 1 11 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.357 0.844 19766 6962 1 11 . 1 1 76 76 LYS H H 76 7.596 7.596 8.008 -0.412 19766 6963 1 11 . 1 1 77 77 ILE N N 77 120.094 120.094 127.816 -7.722 19766 6964 1 11 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.284 0.074 19766 6965 1 11 . 1 1 77 77 ILE C C 77 177.519 177.519 175.843 1.676 19766 6966 1 11 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.022 -0.519 19766 6967 1 11 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.588 1.048 19766 6968 1 11 . 1 1 77 77 ILE H H 77 8.004 8.004 9.150 -1.146 19766 6969 1 11 . 1 1 78 78 GLY N N 78 119.932 119.932 116.064 3.868 19766 6970 1 11 . 1 1 78 78 GLY C C 78 175.944 175.944 175.356 0.588 19766 6971 1 11 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.006 2.213 19766 6972 1 11 . 1 1 78 78 GLY H H 78 10.183 10.183 9.017 1.166 19766 6973 1 11 . 1 1 79 79 GLY N N 79 104.505 104.505 104.562 -0.057 19766 6974 1 11 . 1 1 79 79 GLY C C 79 173.347 173.347 173.909 -0.562 19766 6975 1 11 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.959 0.133 19766 6976 1 11 . 1 1 79 79 GLY H H 79 8.892 8.892 8.468 0.424 19766 6977 1 11 . 1 1 80 80 ARG N N 80 119.144 119.144 119.344 -0.200 19766 6978 1 11 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.695 -0.029 19766 6979 1 11 . 1 1 80 80 ARG C C 80 174.693 174.693 174.097 0.596 19766 6980 1 11 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.245 0.433 19766 6981 1 11 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.404 1.003 19766 6982 1 11 . 1 1 80 80 ARG H H 80 7.281 7.281 7.419 -0.138 19766 6983 1 11 . 1 1 81 81 ALA N N 81 126.229 126.229 126.002 0.227 19766 6984 1 11 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.203 -1.002 19766 6985 1 11 . 1 1 81 81 ALA C C 81 176.967 176.967 177.551 -0.584 19766 6986 1 11 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.102 1.027 19766 6987 1 11 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.942 -0.742 19766 6988 1 11 . 1 1 81 81 ALA H H 81 8.673 8.673 8.484 0.189 19766 6989 1 11 . 1 1 82 82 LEU N N 82 125.471 125.471 120.907 4.564 19766 6990 1 11 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.627 -0.203 19766 6991 1 11 . 1 1 82 82 LEU C C 82 177.436 177.436 176.390 1.046 19766 6992 1 11 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.560 1.590 19766 6993 1 11 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.620 0.653 19766 6994 1 11 . 1 1 82 82 LEU H H 82 8.702 8.702 8.322 0.380 19766 6995 1 11 . 1 1 83 83 LYS N N 83 123.609 123.609 123.183 0.426 19766 6996 1 11 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.443 -0.438 19766 6997 1 11 . 1 1 83 83 LYS C C 83 174.759 174.759 175.314 -0.555 19766 6998 1 11 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.239 0.547 19766 6999 1 11 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.113 0.333 19766 7000 1 11 . 1 1 83 83 LYS H H 83 7.853 7.853 8.244 -0.391 19766 7001 1 11 . 1 1 84 84 ILE N N 84 125.547 125.547 128.012 -2.465 19766 7002 1 11 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.507 0.192 19766 7003 1 11 . 1 1 84 84 ILE C C 84 174.989 174.989 175.515 -0.526 19766 7004 1 11 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.066 -1.647 19766 7005 1 11 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.773 -0.405 19766 7006 1 11 . 1 1 84 84 ILE H H 84 8.719 8.719 8.758 -0.039 19766 7007 1 11 . 1 1 85 85 ASP N N 85 124.650 124.650 124.608 0.042 19766 7008 1 11 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.042 -0.038 19766 7009 1 11 . 1 1 85 85 ASP C C 85 175.302 175.302 174.347 0.955 19766 7010 1 11 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.311 0.170 19766 7011 1 11 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.901 0.568 19766 7012 1 11 . 1 1 85 85 ASP H H 85 8.826 8.826 8.822 0.004 19766 7013 1 11 . 1 1 86 86 HIS N N 86 121.936 121.936 118.286 3.650 19766 7014 1 11 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.371 -0.668 19766 7015 1 11 . 1 1 86 86 HIS C C 86 175.216 175.216 174.931 0.285 19766 7016 1 11 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.687 1.257 19766 7017 1 11 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.554 -0.074 19766 7018 1 11 . 1 1 86 86 HIS H H 86 8.909 8.909 8.740 0.169 19766 7019 1 11 . 1 1 87 87 THR N N 87 116.612 116.612 115.494 1.118 19766 7020 1 11 . 1 1 87 87 THR HA H 87 4.688 4.688 4.684 0.004 19766 7021 1 11 . 1 1 87 87 THR CA C 87 61.030 61.030 60.858 0.173 19766 7022 1 11 . 1 1 87 87 THR CB C 87 69.903 69.903 71.324 -1.421 19766 7023 1 11 . 1 1 87 87 THR H H 87 8.521 8.521 9.089 -0.568 19766 7024 1 11 . 1 1 88 88 PHE N N 88 123.233 123.233 124.497 -1.264 19766 7025 1 11 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.852 0.442 19766 7026 1 11 . 1 1 88 88 PHE C C 88 176.452 176.452 174.001 2.451 19766 7027 1 11 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.249 -1.316 19766 7028 1 11 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.310 0.803 19766 7029 1 11 . 1 1 88 88 PHE H H 88 8.145 8.145 8.456 -0.311 19766 7030 1 11 . 1 1 89 89 TYR N N 89 122.872 122.872 124.673 -1.801 19766 7031 1 11 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.675 -0.601 19766 7032 1 11 . 1 1 89 89 TYR C C 89 173.089 173.089 174.185 -1.096 19766 7033 1 11 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.647 1.882 19766 7034 1 11 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.363 0.445 19766 7035 1 11 . 1 1 89 89 TYR H H 89 8.242 8.242 7.481 0.761 19766 7036 1 11 . 1 1 90 90 ARG N N 90 128.867 128.867 122.123 6.744 19766 7037 1 11 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.061 0.368 19766 7038 1 11 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.197 -1.629 19766 7039 1 11 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.188 1.806 19766 7040 1 11 . 1 1 90 90 ARG H H 90 7.018 7.018 8.533 -1.515 19766 7041 1 11 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.845 0.345 19766 7042 1 11 . 1 1 91 91 PRO C C 91 176.284 176.284 176.242 0.042 19766 7043 1 11 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.814 -0.325 19766 7044 1 11 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.528 1.519 19766 7045 1 11 . 1 1 92 92 LYS N N 92 119.987 119.987 124.379 -4.392 19766 7046 1 11 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.256 0.426 19766 7047 1 11 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.091 -1.404 19766 7048 1 11 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.362 1.697 19766 7049 1 11 . 1 1 92 92 LYS H H 92 8.672 8.672 8.416 0.256 19766 7050 1 11 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.108 0.066 19766 7051 1 11 . 1 1 93 93 ARG C C 93 178.848 178.848 178.501 0.347 19766 7052 1 11 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.317 0.875 19766 7053 1 11 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.310 0.486 19766 7054 1 11 . 1 1 94 94 SER N N 94 112.252 112.252 115.362 -3.110 19766 7055 1 11 . 1 1 94 94 SER HA H 94 4.266 4.266 4.304 -0.038 19766 7056 1 11 . 1 1 94 94 SER C C 94 175.827 175.827 174.950 0.877 19766 7057 1 11 . 1 1 94 94 SER CA C 94 60.087 60.087 60.695 -0.608 19766 7058 1 11 . 1 1 94 94 SER CB C 94 62.266 62.266 62.872 -0.606 19766 7059 1 11 . 1 1 94 94 SER H H 94 8.353 8.353 8.404 -0.051 19766 7060 1 11 . 1 1 95 95 LEU N N 95 122.261 122.261 119.636 2.625 19766 7061 1 11 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.788 -0.123 19766 7062 1 11 . 1 1 95 95 LEU C C 95 175.444 175.444 177.548 -2.104 19766 7063 1 11 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.822 0.283 19766 7064 1 11 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.533 0.379 19766 7065 1 11 . 1 1 95 95 LEU H H 95 7.229 7.229 7.588 -0.359 19766 7066 1 11 . 1 1 96 96 GLN N N 96 118.873 118.873 120.578 -1.705 19766 7067 1 11 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.077 0.016 19766 7068 1 11 . 1 1 96 96 GLN C C 96 177.668 177.668 177.378 0.290 19766 7069 1 11 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.044 1.666 19766 7070 1 11 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.395 0.586 19766 7071 1 11 . 1 1 96 96 GLN H H 96 7.390 7.390 7.864 -0.474 19766 7072 1 11 . 1 1 97 97 LYS N N 97 116.416 116.416 119.565 -3.149 19766 7073 1 11 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.220 -0.103 19766 7074 1 11 . 1 1 97 97 LYS C C 97 179.237 179.237 179.188 0.049 19766 7075 1 11 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.655 0.738 19766 7076 1 11 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.569 -0.053 19766 7077 1 11 . 1 1 97 97 LYS H H 97 8.595 8.595 8.322 0.273 19766 7078 1 11 . 1 1 98 98 TYR N N 98 123.922 123.922 121.772 2.150 19766 7079 1 11 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.205 -0.068 19766 7080 1 11 . 1 1 98 98 TYR C C 98 177.309 177.309 177.668 -0.359 19766 7081 1 11 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.520 0.709 19766 7082 1 11 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.445 -1.155 19766 7083 1 11 . 1 1 98 98 TYR H H 98 7.558 7.558 8.138 -0.580 19766 7084 1 11 . 1 1 99 99 TYR N N 99 118.047 118.047 118.753 -0.706 19766 7085 1 11 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.850 1.258 19766 7086 1 11 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.218 -4.320 19766 7087 1 11 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.162 -0.940 19766 7088 1 11 . 1 1 99 99 TYR H H 99 8.624 8.624 7.946 0.678 19766 7089 1 11 . 1 1 100 100 GLU N N 100 118.804 118.804 118.824 -0.020 19766 7090 1 11 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.922 0.144 19766 7091 1 11 . 1 1 100 100 GLU C C 100 178.595 178.595 178.452 0.143 19766 7092 1 11 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.516 -0.031 19766 7093 1 11 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.046 0.749 19766 7094 1 11 . 1 1 100 100 GLU H H 100 8.348 8.348 8.858 -0.510 19766 7095 1 11 . 1 1 101 101 ALA N N 101 123.315 123.315 121.940 1.375 19766 7096 1 11 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.010 0.285 19766 7097 1 11 . 1 1 101 101 ALA C C 101 181.438 181.438 179.879 1.559 19766 7098 1 11 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.824 0.034 19766 7099 1 11 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.540 0.138 19766 7100 1 11 . 1 1 101 101 ALA H H 101 7.963 7.963 7.588 0.375 19766 7101 1 11 . 1 1 102 102 VAL N N 102 120.092 120.092 118.117 1.975 19766 7102 1 11 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.496 0.281 19766 7103 1 11 . 1 1 102 102 VAL C C 102 176.958 176.958 178.236 -1.278 19766 7104 1 11 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.101 1.304 19766 7105 1 11 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.654 0.182 19766 7106 1 11 . 1 1 102 102 VAL H H 102 8.321 8.321 7.702 0.619 19766 7107 1 11 . 1 1 103 103 LYS N N 103 120.226 120.226 119.079 1.147 19766 7108 1 11 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.018 -0.092 19766 7109 1 11 . 1 1 103 103 LYS C C 103 178.354 178.354 178.488 -0.134 19766 7110 1 11 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.286 0.397 19766 7111 1 11 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.792 0.384 19766 7112 1 11 . 1 1 103 103 LYS H H 103 8.266 8.266 8.312 -0.046 19766 7113 1 11 . 1 1 104 104 GLU N N 104 116.521 116.521 119.501 -2.980 19766 7114 1 11 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.047 -0.086 19766 7115 1 11 . 1 1 104 104 GLU C C 104 178.628 178.628 179.278 -0.650 19766 7116 1 11 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.273 -0.163 19766 7117 1 11 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.944 0.781 19766 7118 1 11 . 1 1 104 104 GLU H H 104 8.027 8.027 8.404 -0.377 19766 7119 1 11 . 1 1 105 105 GLU N N 105 118.569 118.569 117.587 0.982 19766 7120 1 11 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.208 -0.308 19766 7121 1 11 . 1 1 105 105 GLU C C 105 178.399 178.399 178.323 0.076 19766 7122 1 11 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.921 0.344 19766 7123 1 11 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.584 0.189 19766 7124 1 11 . 1 1 105 105 GLU H H 105 7.225 7.225 7.852 -0.627 19766 7125 1 11 . 1 1 106 106 LEU N N 106 116.938 116.938 118.696 -1.758 19766 7126 1 11 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.316 -0.283 19766 7127 1 11 . 1 1 106 106 LEU C C 106 179.770 179.770 178.657 1.113 19766 7128 1 11 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.486 0.439 19766 7129 1 11 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.365 -2.080 19766 7130 1 11 . 1 1 106 106 LEU H H 106 8.273 8.273 7.396 0.877 19766 7131 1 11 . 1 1 107 107 ASP N N 107 119.855 119.855 120.249 -0.394 19766 7132 1 11 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.283 0.265 19766 7133 1 11 . 1 1 107 107 ASP C C 107 177.891 177.891 178.105 -0.214 19766 7134 1 11 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.918 -1.985 19766 7135 1 11 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.874 -0.160 19766 7136 1 11 . 1 1 107 107 ASP H H 107 8.286 8.286 8.905 -0.619 19766 7137 1 11 . 1 1 108 108 ARG N N 108 118.853 118.853 118.038 0.815 19766 7138 1 11 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.068 0.013 19766 7139 1 11 . 1 1 108 108 ARG C C 108 177.325 177.325 178.689 -1.364 19766 7140 1 11 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.301 -0.292 19766 7141 1 11 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.565 0.839 19766 7142 1 11 . 1 1 108 108 ARG H H 108 7.406 7.406 7.713 -0.307 19766 7143 1 11 . 1 1 109 109 ASP N N 109 119.636 119.636 117.798 1.838 19766 7144 1 11 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.574 -0.039 19766 7145 1 11 . 1 1 109 109 ASP C C 109 176.758 176.758 177.199 -0.441 19766 7146 1 11 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.903 -0.665 19766 7147 1 11 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.399 -0.654 19766 7148 1 11 . 1 1 109 109 ASP H H 109 7.853 7.853 7.815 0.038 19766 7149 1 11 . 1 1 110 110 ILE N N 110 119.905 119.905 118.995 0.910 19766 7150 1 11 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.922 0.182 19766 7151 1 11 . 1 1 110 110 ILE C C 110 176.642 176.642 177.719 -1.077 19766 7152 1 11 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.666 -1.890 19766 7153 1 11 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.456 -0.002 19766 7154 1 11 . 1 1 110 110 ILE H H 110 7.623 7.623 7.127 0.496 19766 7155 1 11 . 1 1 111 111 VAL N N 111 122.938 122.938 117.296 5.642 19766 7156 1 11 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.924 0.154 19766 7157 1 11 . 1 1 111 111 VAL C C 111 176.668 176.668 175.379 1.289 19766 7158 1 11 . 1 1 111 111 VAL CA C 111 63.037 63.037 63.758 -0.721 19766 7159 1 11 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.590 -0.108 19766 7160 1 11 . 1 1 111 111 VAL H H 111 8.043 8.043 8.053 -0.010 19766 7161 1 11 . 1 1 112 112 SER N N 112 118.345 118.345 113.040 5.305 19766 7162 1 11 . 1 1 112 112 SER HA H 112 4.417 4.417 4.648 -0.231 19766 7163 1 11 . 1 1 112 112 SER C C 112 174.925 174.925 174.152 0.773 19766 7164 1 11 . 1 1 112 112 SER CA C 112 58.848 58.848 56.783 2.064 19766 7165 1 11 . 1 1 112 112 SER CB C 112 63.551 63.551 64.484 -0.933 19766 7166 1 11 . 1 1 112 112 SER H H 112 8.210 8.210 7.425 0.785 19766 7167 1 11 . 1 1 113 113 LYS N N 113 122.729 122.729 123.121 -0.392 19766 7168 1 11 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.297 0.021 19766 7169 1 11 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.700 0.896 19766 7170 1 11 . 1 1 113 113 LYS CB C 113 32.846 32.846 32.206 0.640 19766 7171 1 11 . 1 1 113 113 LYS H H 113 8.295 8.295 8.560 -0.265 19766 7172 1 11 . 1 1 114 114 ASN N N 114 119.243 119.243 119.850 -0.607 19766 7173 1 11 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.775 -0.097 19766 7174 1 11 . 1 1 114 114 ASN CA C 114 53.483 53.483 52.426 1.057 19766 7175 1 11 . 1 1 114 114 ASN CB C 114 38.858 38.858 38.670 0.188 19766 7176 1 11 . 1 1 114 114 ASN H H 114 8.372 8.372 7.843 0.529 19766 7177 1 11 . 1 1 115 115 ASN N N 115 119.155 119.155 124.685 -5.530 19766 7178 1 11 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.809 -0.127 19766 7179 1 11 . 1 1 115 115 ASN C C 115 174.877 174.877 174.171 0.706 19766 7180 1 11 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.286 1.196 19766 7181 1 11 . 1 1 115 115 ASN CB C 115 38.858 38.858 38.668 0.190 19766 7182 1 11 . 1 1 115 115 ASN H H 115 8.372 8.372 8.473 -0.101 19766 7183 1 11 . 1 1 116 116 ALA N N 116 123.743 123.743 129.497 -5.754 19766 7184 1 11 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.501 -0.172 19766 7185 1 11 . 1 1 116 116 ALA C C 116 177.574 177.574 176.620 0.954 19766 7186 1 11 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.942 0.751 19766 7187 1 11 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.748 0.598 19766 7188 1 11 . 1 1 116 116 ALA H H 116 8.116 8.116 8.272 -0.156 19766 7189 1 11 . 1 1 117 117 GLU N N 117 120.161 120.161 121.682 -1.521 19766 7190 1 11 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.661 -0.388 19766 7191 1 11 . 1 1 117 117 GLU C C 117 175.557 175.557 175.122 0.435 19766 7192 1 11 . 1 1 117 117 GLU CA C 117 56.659 56.659 55.373 1.286 19766 7193 1 11 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.745 -0.591 19766 7194 1 11 . 1 1 117 117 GLU H H 117 8.220 8.220 8.265 -0.045 19766 7195 1 12 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.522 -0.182 19766 7196 1 12 . 1 1 2 2 ALA C C 2 177.830 177.830 174.949 2.881 19766 7197 1 12 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.969 0.724 19766 7198 1 12 . 1 1 2 2 ALA CB C 2 19.359 19.359 20.584 -1.225 19766 7199 1 12 . 1 1 3 3 MET N N 3 119.580 119.580 122.454 -2.874 19766 7200 1 12 . 1 1 3 3 MET HA H 3 4.482 4.482 4.316 0.166 19766 7201 1 12 . 1 1 3 3 MET C C 3 176.714 176.714 176.847 -0.133 19766 7202 1 12 . 1 1 3 3 MET CA C 3 55.590 55.590 56.358 -0.768 19766 7203 1 12 . 1 1 3 3 MET CB C 3 32.922 32.922 32.241 0.681 19766 7204 1 12 . 1 1 3 3 MET H H 3 8.451 8.451 8.727 -0.276 19766 7205 1 12 . 1 1 4 4 GLY N N 4 109.951 109.951 114.705 -4.754 19766 7206 1 12 . 1 1 4 4 GLY C C 4 174.082 174.082 174.370 -0.288 19766 7207 1 12 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.843 0.623 19766 7208 1 12 . 1 1 4 4 GLY H H 4 8.400 8.400 8.259 0.141 19766 7209 1 12 . 1 1 5 5 ASN N N 5 118.667 118.667 118.481 0.186 19766 7210 1 12 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.466 0.218 19766 7211 1 12 . 1 1 5 5 ASN C C 5 175.489 175.489 176.055 -0.566 19766 7212 1 12 . 1 1 5 5 ASN CA C 5 53.501 53.501 55.329 -1.828 19766 7213 1 12 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.765 0.201 19766 7214 1 12 . 1 1 5 5 ASN H H 5 8.378 8.378 8.563 -0.185 19766 7215 1 12 . 1 1 6 6 GLU N N 6 120.908 120.908 116.806 4.102 19766 7216 1 12 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.176 -0.010 19766 7217 1 12 . 1 1 6 6 GLU C C 6 176.336 176.336 175.817 0.519 19766 7218 1 12 . 1 1 6 6 GLU CA C 6 57.269 57.269 58.080 -0.811 19766 7219 1 12 . 1 1 6 6 GLU CB C 6 29.736 29.736 31.298 -1.562 19766 7220 1 12 . 1 1 6 6 GLU H H 6 8.620 8.620 8.841 -0.221 19766 7221 1 12 . 1 1 7 7 TYR N N 7 120.339 120.339 114.591 5.748 19766 7222 1 12 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.631 -0.131 19766 7223 1 12 . 1 1 7 7 TYR C C 7 175.808 175.808 176.003 -0.195 19766 7224 1 12 . 1 1 7 7 TYR CA C 7 58.151 58.151 56.794 1.357 19766 7225 1 12 . 1 1 7 7 TYR CB C 7 38.194 38.194 42.014 -3.821 19766 7226 1 12 . 1 1 7 7 TYR H H 7 8.045 8.045 7.542 0.503 19766 7227 1 12 . 1 1 8 8 LYS N N 8 121.700 121.700 120.119 1.581 19766 7228 1 12 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.015 0.135 19766 7229 1 12 . 1 1 8 8 LYS C C 8 175.868 175.868 175.761 0.107 19766 7230 1 12 . 1 1 8 8 LYS CA C 8 56.562 56.562 58.534 -1.972 19766 7231 1 12 . 1 1 8 8 LYS CB C 8 33.158 33.158 31.898 1.260 19766 7232 1 12 . 1 1 8 8 LYS H H 8 7.829 7.829 8.716 -0.887 19766 7233 1 12 . 1 1 9 9 ASP N N 9 119.811 119.811 115.028 4.783 19766 7234 1 12 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.721 -0.083 19766 7235 1 12 . 1 1 9 9 ASP C C 9 175.972 175.972 175.792 0.180 19766 7236 1 12 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.087 0.538 19766 7237 1 12 . 1 1 9 9 ASP CB C 9 41.539 41.539 39.818 1.721 19766 7238 1 12 . 1 1 9 9 ASP H H 9 8.137 8.137 8.112 0.025 19766 7239 1 12 . 1 1 10 10 ASN N N 10 119.794 119.794 120.029 -0.235 19766 7240 1 12 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.834 0.138 19766 7241 1 12 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.180 -0.335 19766 7242 1 12 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.559 0.200 19766 7243 1 12 . 1 1 10 10 ASN H H 10 8.292 8.292 7.756 0.536 19766 7244 1 12 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.517 0.086 19766 7245 1 12 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.745 0.504 19766 7246 1 12 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.684 -0.496 19766 7247 1 12 . 1 1 12 12 TYR N N 12 118.889 118.889 118.908 -0.019 19766 7248 1 12 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.153 -0.009 19766 7249 1 12 . 1 1 12 12 TYR C C 12 177.773 177.773 175.367 2.406 19766 7250 1 12 . 1 1 12 12 TYR CA C 12 57.183 57.183 57.937 -0.754 19766 7251 1 12 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.103 3.479 19766 7252 1 12 . 1 1 12 12 TYR H H 12 8.057 8.057 7.806 0.251 19766 7253 1 12 . 1 1 13 13 ILE N N 13 112.765 112.765 120.406 -7.641 19766 7254 1 12 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.120 0.034 19766 7255 1 12 . 1 1 13 13 ILE C C 13 174.312 174.312 174.847 -0.535 19766 7256 1 12 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.209 0.827 19766 7257 1 12 . 1 1 13 13 ILE CB C 13 39.896 39.896 39.996 -0.100 19766 7258 1 12 . 1 1 13 13 ILE H H 13 9.310 9.310 9.328 -0.018 19766 7259 1 12 . 1 1 14 14 TYR N N 14 124.417 124.417 129.035 -4.618 19766 7260 1 12 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.760 -0.053 19766 7261 1 12 . 1 1 14 14 TYR C C 14 173.058 173.058 173.866 -0.808 19766 7262 1 12 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.650 -1.438 19766 7263 1 12 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.539 0.680 19766 7264 1 12 . 1 1 14 14 TYR H H 14 9.252 9.252 9.055 0.197 19766 7265 1 12 . 1 1 15 15 ILE N N 15 127.660 127.660 128.528 -0.868 19766 7266 1 12 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.001 -0.736 19766 7267 1 12 . 1 1 15 15 ILE C C 15 173.705 173.705 174.713 -1.008 19766 7268 1 12 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.491 -0.005 19766 7269 1 12 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.724 1.278 19766 7270 1 12 . 1 1 15 15 ILE H H 15 8.558 8.558 8.615 -0.057 19766 7271 1 12 . 1 1 16 16 GLY N N 16 112.792 112.792 112.784 0.008 19766 7272 1 12 . 1 1 16 16 GLY C C 16 173.110 173.110 172.811 0.299 19766 7273 1 12 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.815 0.434 19766 7274 1 12 . 1 1 16 16 GLY H H 16 9.516 9.516 8.827 0.689 19766 7275 1 12 . 1 1 17 17 ASN N N 17 115.139 115.139 117.575 -2.436 19766 7276 1 12 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.059 0.337 19766 7277 1 12 . 1 1 17 17 ASN C C 17 174.854 174.854 173.294 1.560 19766 7278 1 12 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.579 -0.343 19766 7279 1 12 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.977 -0.044 19766 7280 1 12 . 1 1 17 17 ASN H H 17 8.511 8.511 8.055 0.456 19766 7281 1 12 . 1 1 18 18 LEU N N 18 114.660 114.660 122.545 -7.885 19766 7282 1 12 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.475 -0.439 19766 7283 1 12 . 1 1 18 18 LEU C C 18 178.161 178.161 175.183 2.978 19766 7284 1 12 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.330 0.554 19766 7285 1 12 . 1 1 18 18 LEU CB C 18 42.562 42.562 45.771 -3.209 19766 7286 1 12 . 1 1 18 18 LEU H H 18 7.839 7.839 7.721 0.118 19766 7287 1 12 . 1 1 19 19 ASN N N 19 122.707 122.707 118.129 4.578 19766 7288 1 12 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.717 -0.354 19766 7289 1 12 . 1 1 19 19 ASN C C 19 178.037 178.037 176.760 1.277 19766 7290 1 12 . 1 1 19 19 ASN CA C 19 54.604 54.604 51.805 2.799 19766 7291 1 12 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.231 -1.419 19766 7292 1 12 . 1 1 19 19 ASN H H 19 8.779 8.779 8.419 0.360 19766 7293 1 12 . 1 1 20 20 ARG N N 20 128.724 128.724 125.606 3.118 19766 7294 1 12 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.921 -0.068 19766 7295 1 12 . 1 1 20 20 ARG C C 20 175.612 175.612 176.288 -0.676 19766 7296 1 12 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.912 -0.138 19766 7297 1 12 . 1 1 20 20 ARG CB C 20 29.684 29.684 29.952 -0.268 19766 7298 1 12 . 1 1 20 20 ARG H H 20 8.954 8.954 8.726 0.228 19766 7299 1 12 . 1 1 21 21 GLU N N 21 117.609 117.609 114.421 3.188 19766 7300 1 12 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.141 0.132 19766 7301 1 12 . 1 1 21 21 GLU C C 21 177.285 177.285 176.903 0.382 19766 7302 1 12 . 1 1 21 21 GLU CA C 21 56.782 56.782 57.157 -0.375 19766 7303 1 12 . 1 1 21 21 GLU CB C 21 30.498 30.498 29.079 1.419 19766 7304 1 12 . 1 1 21 21 GLU H H 21 9.092 9.092 8.230 0.862 19766 7305 1 12 . 1 1 22 22 LEU N N 22 116.169 116.169 123.271 -7.102 19766 7306 1 12 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.404 0.152 19766 7307 1 12 . 1 1 22 22 LEU C C 22 178.328 178.328 176.190 2.138 19766 7308 1 12 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.580 1.076 19766 7309 1 12 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.390 0.836 19766 7310 1 12 . 1 1 22 22 LEU H H 22 7.208 7.208 7.803 -0.595 19766 7311 1 12 . 1 1 23 23 THR N N 23 113.733 113.733 116.917 -3.184 19766 7312 1 12 . 1 1 23 23 THR HA H 23 4.349 4.349 4.701 -0.352 19766 7313 1 12 . 1 1 23 23 THR C C 23 175.225 175.225 175.367 -0.142 19766 7314 1 12 . 1 1 23 23 THR CA C 23 59.960 59.960 59.379 0.581 19766 7315 1 12 . 1 1 23 23 THR CB C 23 72.172 72.172 71.557 0.615 19766 7316 1 12 . 1 1 23 23 THR H H 23 8.732 8.732 8.165 0.567 19766 7317 1 12 . 1 1 24 24 GLU N N 24 119.838 119.838 123.379 -3.541 19766 7318 1 12 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.952 -0.295 19766 7319 1 12 . 1 1 24 24 GLU C C 24 178.983 178.983 178.838 0.145 19766 7320 1 12 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.636 2.935 19766 7321 1 12 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.114 -1.768 19766 7322 1 12 . 1 1 24 24 GLU H H 24 9.761 9.761 9.076 0.685 19766 7323 1 12 . 1 1 25 25 GLY N N 25 104.462 104.462 106.325 -1.863 19766 7324 1 12 . 1 1 25 25 GLY C C 25 175.139 175.139 175.717 -0.578 19766 7325 1 12 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.668 0.937 19766 7326 1 12 . 1 1 25 25 GLY H H 25 8.486 8.486 8.015 0.471 19766 7327 1 12 . 1 1 26 26 ASP N N 26 123.296 123.296 122.747 0.549 19766 7328 1 12 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.470 0.100 19766 7329 1 12 . 1 1 26 26 ASP C C 26 178.135 178.135 178.304 -0.169 19766 7330 1 12 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.023 0.790 19766 7331 1 12 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.048 0.837 19766 7332 1 12 . 1 1 26 26 ASP H H 26 7.960 7.960 7.753 0.207 19766 7333 1 12 . 1 1 27 27 ILE N N 27 118.853 118.853 120.635 -1.782 19766 7334 1 12 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.691 -0.084 19766 7335 1 12 . 1 1 27 27 ILE C C 27 178.424 178.424 177.998 0.426 19766 7336 1 12 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.280 0.461 19766 7337 1 12 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.811 -0.099 19766 7338 1 12 . 1 1 27 27 ILE H H 27 8.159 8.159 7.625 0.534 19766 7339 1 12 . 1 1 28 28 LEU N N 28 118.549 118.549 120.097 -1.548 19766 7340 1 12 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.940 -0.036 19766 7341 1 12 . 1 1 28 28 LEU C C 28 180.057 180.057 179.939 0.118 19766 7342 1 12 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.332 0.199 19766 7343 1 12 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.195 0.750 19766 7344 1 12 . 1 1 28 28 LEU H H 28 8.414 8.414 8.497 -0.083 19766 7345 1 12 . 1 1 29 29 THR N N 29 122.156 122.156 115.783 6.373 19766 7346 1 12 . 1 1 29 29 THR HA H 29 4.032 4.032 4.008 0.024 19766 7347 1 12 . 1 1 29 29 THR C C 29 175.113 175.113 176.122 -1.009 19766 7348 1 12 . 1 1 29 29 THR CA C 29 66.754 66.754 66.101 0.653 19766 7349 1 12 . 1 1 29 29 THR CB C 29 68.490 68.490 68.700 -0.210 19766 7350 1 12 . 1 1 29 29 THR H H 29 8.715 8.715 7.883 0.832 19766 7351 1 12 . 1 1 30 30 VAL N N 30 116.487 116.487 120.322 -3.835 19766 7352 1 12 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.858 -0.027 19766 7353 1 12 . 1 1 30 30 VAL C C 30 179.968 179.968 177.990 1.978 19766 7354 1 12 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.992 -0.477 19766 7355 1 12 . 1 1 30 30 VAL CB C 30 33.044 33.044 32.085 0.959 19766 7356 1 12 . 1 1 30 30 VAL H H 30 7.713 7.713 7.653 0.060 19766 7357 1 12 . 1 1 31 31 PHE N N 31 113.658 113.658 119.567 -5.909 19766 7358 1 12 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.646 -0.779 19766 7359 1 12 . 1 1 31 31 PHE C C 31 179.577 179.577 178.683 0.894 19766 7360 1 12 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.092 2.311 19766 7361 1 12 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.484 -1.171 19766 7362 1 12 . 1 1 31 31 PHE H H 31 8.876 8.876 9.099 -0.223 19766 7363 1 12 . 1 1 32 32 SER N N 32 118.635 118.635 114.715 3.920 19766 7364 1 12 . 1 1 32 32 SER HA H 32 5.381 5.381 4.584 0.797 19766 7365 1 12 . 1 1 32 32 SER C C 32 172.662 172.662 174.837 -2.175 19766 7366 1 12 . 1 1 32 32 SER CA C 32 61.338 61.338 60.903 0.435 19766 7367 1 12 . 1 1 32 32 SER CB C 32 63.875 63.875 62.890 0.985 19766 7368 1 12 . 1 1 32 32 SER H H 32 8.106 8.106 8.351 -0.245 19766 7369 1 12 . 1 1 33 33 GLU N N 33 121.234 121.234 120.167 1.067 19766 7370 1 12 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.026 -1.869 19766 7371 1 12 . 1 1 33 33 GLU C C 33 174.223 174.223 177.585 -3.362 19766 7372 1 12 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.173 1.467 19766 7373 1 12 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.750 -1.919 19766 7374 1 12 . 1 1 33 33 GLU H H 33 6.964 6.964 7.477 -0.513 19766 7375 1 12 . 1 1 34 34 TYR N N 34 107.930 107.930 117.217 -9.287 19766 7376 1 12 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.510 -0.357 19766 7377 1 12 . 1 1 34 34 TYR C C 34 173.208 173.208 174.870 -1.662 19766 7378 1 12 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.924 -0.595 19766 7379 1 12 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.874 0.004 19766 7380 1 12 . 1 1 34 34 TYR H H 34 6.229 6.229 7.848 -1.619 19766 7381 1 12 . 1 1 35 35 GLY N N 35 103.542 103.542 104.791 -1.249 19766 7382 1 12 . 1 1 35 35 GLY C C 35 170.379 170.379 172.366 -1.987 19766 7383 1 12 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.904 -0.225 19766 7384 1 12 . 1 1 35 35 GLY H H 35 7.257 7.257 7.259 -0.002 19766 7385 1 12 . 1 1 36 36 VAL N N 36 120.446 120.446 120.104 0.342 19766 7386 1 12 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.486 0.018 19766 7387 1 12 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.413 0.302 19766 7388 1 12 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.373 0.657 19766 7389 1 12 . 1 1 36 36 VAL H H 36 8.438 8.438 9.410 -0.972 19766 7390 1 12 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.238 0.465 19766 7391 1 12 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.557 -0.183 19766 7392 1 12 . 1 1 37 37 PRO CB C 37 32.071 32.071 30.960 1.111 19766 7393 1 12 . 1 1 38 38 VAL N N 38 113.929 113.929 116.847 -2.918 19766 7394 1 12 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.003 0.479 19766 7395 1 12 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.381 -1.927 19766 7396 1 12 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.089 0.415 19766 7397 1 12 . 1 1 38 38 VAL H H 38 8.966 8.966 7.800 1.166 19766 7398 1 12 . 1 1 39 39 ASP N N 39 118.213 118.213 118.280 -0.067 19766 7399 1 12 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.872 -0.197 19766 7400 1 12 . 1 1 39 39 ASP C C 39 174.637 174.637 173.549 1.088 19766 7401 1 12 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.280 0.408 19766 7402 1 12 . 1 1 39 39 ASP CB C 39 43.807 43.807 43.877 -0.070 19766 7403 1 12 . 1 1 39 39 ASP H H 39 7.500 7.500 7.601 -0.101 19766 7404 1 12 . 1 1 40 40 VAL N N 40 121.576 121.576 123.816 -2.240 19766 7405 1 12 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.010 -0.019 19766 7406 1 12 . 1 1 40 40 VAL C C 40 170.562 170.562 173.672 -3.110 19766 7407 1 12 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.756 0.602 19766 7408 1 12 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.876 -0.657 19766 7409 1 12 . 1 1 40 40 VAL H H 40 7.657 7.657 8.442 -0.785 19766 7410 1 12 . 1 1 41 41 ILE N N 41 125.384 125.384 123.963 1.421 19766 7411 1 12 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.781 0.037 19766 7412 1 12 . 1 1 41 41 ILE C C 41 175.425 175.425 173.214 2.211 19766 7413 1 12 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.279 2.211 19766 7414 1 12 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.139 1.417 19766 7415 1 12 . 1 1 41 41 ILE H H 41 8.901 8.901 9.142 -0.241 19766 7416 1 12 . 1 1 42 42 LEU N N 42 128.888 128.888 127.286 1.602 19766 7417 1 12 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.723 -0.262 19766 7418 1 12 . 1 1 42 42 LEU C C 42 174.934 174.934 175.844 -0.910 19766 7419 1 12 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.294 0.083 19766 7420 1 12 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.568 -0.029 19766 7421 1 12 . 1 1 42 42 LEU H H 42 8.344 8.344 8.384 -0.040 19766 7422 1 12 . 1 1 43 43 SER N N 43 122.818 122.818 122.003 0.815 19766 7423 1 12 . 1 1 43 43 SER HA H 43 3.876 3.876 4.473 -0.597 19766 7424 1 12 . 1 1 43 43 SER C C 43 173.869 173.869 173.166 0.703 19766 7425 1 12 . 1 1 43 43 SER CA C 43 59.688 59.688 58.390 1.298 19766 7426 1 12 . 1 1 43 43 SER CB C 43 62.673 62.673 62.407 0.266 19766 7427 1 12 . 1 1 43 43 SER H H 43 8.362 8.362 8.947 -0.585 19766 7428 1 12 . 1 1 44 44 ARG N N 44 128.045 128.045 125.457 2.588 19766 7429 1 12 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.169 -0.340 19766 7430 1 12 . 1 1 44 44 ARG C C 44 175.031 175.031 175.262 -0.231 19766 7431 1 12 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.567 0.495 19766 7432 1 12 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.201 1.097 19766 7433 1 12 . 1 1 44 44 ARG H H 44 8.079 8.079 7.598 0.481 19766 7434 1 12 . 1 1 45 45 ASP N N 45 123.491 123.491 123.302 0.189 19766 7435 1 12 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.384 -0.147 19766 7436 1 12 . 1 1 45 45 ASP C C 45 177.487 177.487 177.037 0.450 19766 7437 1 12 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.880 0.037 19766 7438 1 12 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.841 0.770 19766 7439 1 12 . 1 1 45 45 ASP H H 45 8.663 8.663 8.457 0.206 19766 7440 1 12 . 1 1 46 46 GLU N N 46 125.446 125.446 125.175 0.271 19766 7441 1 12 . 1 1 46 46 GLU HA H 46 3.907 3.907 3.981 -0.074 19766 7442 1 12 . 1 1 46 46 GLU C C 46 175.655 175.655 176.908 -1.253 19766 7443 1 12 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.470 0.403 19766 7444 1 12 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.835 -0.181 19766 7445 1 12 . 1 1 46 46 GLU H H 46 9.007 9.007 8.688 0.319 19766 7446 1 12 . 1 1 47 47 ASN N N 47 115.343 115.343 116.565 -1.222 19766 7447 1 12 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.672 0.212 19766 7448 1 12 . 1 1 47 47 ASN C C 47 176.665 176.665 177.028 -0.363 19766 7449 1 12 . 1 1 47 47 ASN CA C 47 54.939 54.939 55.134 -0.195 19766 7450 1 12 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.540 0.690 19766 7451 1 12 . 1 1 47 47 ASN H H 47 8.947 8.947 8.650 0.297 19766 7452 1 12 . 1 1 48 48 THR N N 48 107.604 107.604 111.955 -4.351 19766 7453 1 12 . 1 1 48 48 THR HA H 48 4.468 4.468 4.498 -0.030 19766 7454 1 12 . 1 1 48 48 THR C C 48 176.465 176.465 175.439 1.026 19766 7455 1 12 . 1 1 48 48 THR CA C 48 61.555 61.555 62.059 -0.505 19766 7456 1 12 . 1 1 48 48 THR CB C 48 71.342 71.342 70.448 0.894 19766 7457 1 12 . 1 1 48 48 THR H H 48 8.450 8.450 8.124 0.326 19766 7458 1 12 . 1 1 49 49 GLY N N 49 111.809 111.809 110.216 1.593 19766 7459 1 12 . 1 1 49 49 GLY C C 49 173.193 173.193 173.235 -0.042 19766 7460 1 12 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.647 0.076 19766 7461 1 12 . 1 1 49 49 GLY H H 49 8.632 8.632 7.612 1.020 19766 7462 1 12 . 1 1 50 50 GLU N N 50 120.089 120.089 117.805 2.284 19766 7463 1 12 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.294 -0.161 19766 7464 1 12 . 1 1 50 50 GLU C C 50 176.586 176.586 176.158 0.428 19766 7465 1 12 . 1 1 50 50 GLU CA C 50 56.532 56.532 55.614 0.918 19766 7466 1 12 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.302 0.782 19766 7467 1 12 . 1 1 50 50 GLU H H 50 7.825 7.825 8.192 -0.367 19766 7468 1 12 . 1 1 51 51 SER N N 51 115.686 115.686 120.394 -4.708 19766 7469 1 12 . 1 1 51 51 SER HA H 51 4.273 4.273 4.271 0.002 19766 7470 1 12 . 1 1 51 51 SER C C 51 176.516 176.516 175.243 1.273 19766 7471 1 12 . 1 1 51 51 SER CA C 51 58.415 58.415 59.236 -0.821 19766 7472 1 12 . 1 1 51 51 SER CB C 51 64.668 64.668 62.912 1.756 19766 7473 1 12 . 1 1 51 51 SER H H 51 8.871 8.871 8.693 0.178 19766 7474 1 12 . 1 1 52 52 GLN N N 52 123.284 123.284 125.090 -1.806 19766 7475 1 12 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.408 0.083 19766 7476 1 12 . 1 1 52 52 GLN C C 52 177.471 177.471 176.954 0.517 19766 7477 1 12 . 1 1 52 52 GLN CA C 52 55.147 55.147 57.116 -1.969 19766 7478 1 12 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.177 0.703 19766 7479 1 12 . 1 1 52 52 GLN H H 52 9.103 9.103 8.872 0.231 19766 7480 1 12 . 1 1 53 53 GLY N N 53 105.865 105.865 106.740 -0.875 19766 7481 1 12 . 1 1 53 53 GLY C C 53 172.010 172.010 173.006 -0.996 19766 7482 1 12 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.831 1.815 19766 7483 1 12 . 1 1 53 53 GLY H H 53 8.888 8.888 8.388 0.500 19766 7484 1 12 . 1 1 54 54 PHE N N 54 112.097 112.097 118.421 -6.324 19766 7485 1 12 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.138 0.208 19766 7486 1 12 . 1 1 54 54 PHE C C 54 171.548 171.548 173.180 -1.632 19766 7487 1 12 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.256 -0.585 19766 7488 1 12 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.906 -2.226 19766 7489 1 12 . 1 1 54 54 PHE H H 54 6.879 6.879 7.250 -0.371 19766 7490 1 12 . 1 1 55 55 ALA N N 55 122.332 122.332 121.721 0.611 19766 7491 1 12 . 1 1 55 55 ALA HA H 55 5.123 5.123 5.036 0.087 19766 7492 1 12 . 1 1 55 55 ALA C C 55 173.074 173.074 174.675 -1.601 19766 7493 1 12 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.567 -1.038 19766 7494 1 12 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.847 2.892 19766 7495 1 12 . 1 1 55 55 ALA H H 55 9.051 9.051 8.884 0.167 19766 7496 1 12 . 1 1 56 56 TYR N N 56 115.022 115.022 116.514 -1.492 19766 7497 1 12 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.706 -0.032 19766 7498 1 12 . 1 1 56 56 TYR C C 56 175.292 175.292 174.176 1.116 19766 7499 1 12 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.689 -1.108 19766 7500 1 12 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.904 -0.557 19766 7501 1 12 . 1 1 56 56 TYR H H 56 9.007 9.007 9.176 -0.169 19766 7502 1 12 . 1 1 57 57 LEU N N 57 122.695 122.695 121.498 1.197 19766 7503 1 12 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.251 -0.492 19766 7504 1 12 . 1 1 57 57 LEU C C 57 172.173 172.173 174.168 -1.995 19766 7505 1 12 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.840 0.976 19766 7506 1 12 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.439 0.467 19766 7507 1 12 . 1 1 57 57 LEU H H 57 8.648 8.648 9.322 -0.674 19766 7508 1 12 . 1 1 58 58 LYS N N 58 125.954 125.954 122.174 3.780 19766 7509 1 12 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.989 -0.524 19766 7510 1 12 . 1 1 58 58 LYS C C 58 174.900 174.900 175.025 -0.125 19766 7511 1 12 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.665 -0.042 19766 7512 1 12 . 1 1 58 58 LYS CB C 58 36.546 36.546 36.184 0.362 19766 7513 1 12 . 1 1 58 58 LYS H H 58 7.948 7.948 8.759 -0.811 19766 7514 1 12 . 1 1 59 59 TYR N N 59 126.396 126.396 125.231 1.165 19766 7515 1 12 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.724 0.376 19766 7516 1 12 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.083 -0.109 19766 7517 1 12 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.726 2.772 19766 7518 1 12 . 1 1 59 59 TYR H H 59 9.007 9.007 8.284 0.723 19766 7519 1 12 . 1 1 60 60 GLU N N 60 120.848 120.848 119.712 1.136 19766 7520 1 12 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.211 -0.338 19766 7521 1 12 . 1 1 60 60 GLU C C 60 175.081 175.081 176.189 -1.108 19766 7522 1 12 . 1 1 60 60 GLU CA C 60 59.053 59.053 57.956 1.097 19766 7523 1 12 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.084 0.783 19766 7524 1 12 . 1 1 60 60 GLU H H 60 8.973 8.973 8.997 -0.024 19766 7525 1 12 . 1 1 61 61 ASP N N 61 117.604 117.604 118.124 -0.520 19766 7526 1 12 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.909 -0.043 19766 7527 1 12 . 1 1 61 61 ASP C C 61 176.598 176.598 175.681 0.917 19766 7528 1 12 . 1 1 61 61 ASP CA C 61 51.112 51.112 52.928 -1.816 19766 7529 1 12 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.139 0.285 19766 7530 1 12 . 1 1 61 61 ASP H H 61 8.017 8.017 7.607 0.410 19766 7531 1 12 . 1 1 62 62 GLN N N 62 126.427 126.427 120.869 5.558 19766 7532 1 12 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.230 0.040 19766 7533 1 12 . 1 1 62 62 GLN C C 62 178.514 178.514 177.746 0.768 19766 7534 1 12 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.264 0.241 19766 7535 1 12 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.177 -1.204 19766 7536 1 12 . 1 1 62 62 GLN H H 62 9.007 9.007 8.702 0.305 19766 7537 1 12 . 1 1 63 63 ARG N N 63 121.369 121.369 120.965 0.404 19766 7538 1 12 . 1 1 63 63 ARG HA H 63 3.720 3.720 3.992 -0.272 19766 7539 1 12 . 1 1 63 63 ARG C C 63 178.566 178.566 178.027 0.539 19766 7540 1 12 . 1 1 63 63 ARG CA C 63 59.082 59.082 60.115 -1.033 19766 7541 1 12 . 1 1 63 63 ARG H H 63 9.013 9.013 8.781 0.232 19766 7542 1 12 . 1 1 64 64 SER N N 64 115.216 115.216 112.590 2.626 19766 7543 1 12 . 1 1 64 64 SER HA H 64 3.746 3.746 4.150 -0.404 19766 7544 1 12 . 1 1 64 64 SER C C 64 175.695 175.695 176.035 -0.340 19766 7545 1 12 . 1 1 64 64 SER CA C 64 63.651 63.651 60.634 3.017 19766 7546 1 12 . 1 1 64 64 SER H H 64 8.207 8.207 7.818 0.389 19766 7547 1 12 . 1 1 65 65 THR N N 65 111.402 111.402 120.086 -8.684 19766 7548 1 12 . 1 1 65 65 THR HA H 65 3.785 3.785 4.061 -0.276 19766 7549 1 12 . 1 1 65 65 THR C C 65 175.556 175.556 176.189 -0.633 19766 7550 1 12 . 1 1 65 65 THR CA C 65 66.178 66.178 66.644 -0.466 19766 7551 1 12 . 1 1 65 65 THR CB C 65 68.414 68.414 68.740 -0.326 19766 7552 1 12 . 1 1 65 65 THR H H 65 7.640 7.640 7.121 0.519 19766 7553 1 12 . 1 1 66 66 ILE N N 66 122.905 122.905 121.620 1.285 19766 7554 1 12 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.928 -0.226 19766 7555 1 12 . 1 1 66 66 ILE C C 66 177.292 177.292 177.996 -0.704 19766 7556 1 12 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.229 -0.975 19766 7557 1 12 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.719 0.680 19766 7558 1 12 . 1 1 66 66 ILE H H 66 6.702 6.702 8.402 -1.700 19766 7559 1 12 . 1 1 67 67 LEU N N 67 114.425 114.425 120.988 -6.563 19766 7560 1 12 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.841 -0.111 19766 7561 1 12 . 1 1 67 67 LEU C C 67 179.641 179.641 178.031 1.610 19766 7562 1 12 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.651 -0.064 19766 7563 1 12 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.199 0.483 19766 7564 1 12 . 1 1 67 67 LEU H H 67 6.975 6.975 7.630 -0.655 19766 7565 1 12 . 1 1 68 68 ALA N N 68 120.639 120.639 121.122 -0.483 19766 7566 1 12 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.364 0.071 19766 7567 1 12 . 1 1 68 68 ALA C C 68 179.087 179.087 179.353 -0.266 19766 7568 1 12 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.945 0.791 19766 7569 1 12 . 1 1 68 68 ALA CB C 68 19.013 19.013 17.958 1.055 19766 7570 1 12 . 1 1 68 68 ALA H H 68 8.225 8.225 7.888 0.337 19766 7571 1 12 . 1 1 69 69 VAL N N 69 118.866 118.866 118.649 0.217 19766 7572 1 12 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.655 -0.416 19766 7573 1 12 . 1 1 69 69 VAL C C 69 178.798 178.798 177.317 1.481 19766 7574 1 12 . 1 1 69 69 VAL CA C 69 67.025 67.025 65.849 1.176 19766 7575 1 12 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.161 0.676 19766 7576 1 12 . 1 1 69 69 VAL H H 69 8.162 8.162 7.644 0.518 19766 7577 1 12 . 1 1 70 70 ASP N N 70 117.230 117.230 118.257 -1.027 19766 7578 1 12 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.412 -0.358 19766 7579 1 12 . 1 1 70 70 ASP C C 70 178.297 178.297 177.116 1.181 19766 7580 1 12 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.960 0.309 19766 7581 1 12 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.223 -1.601 19766 7582 1 12 . 1 1 70 70 ASP H H 70 8.262 8.262 7.946 0.316 19766 7583 1 12 . 1 1 71 71 ASN N N 71 111.214 111.214 116.795 -5.581 19766 7584 1 12 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.645 0.218 19766 7585 1 12 . 1 1 71 71 ASN C C 71 176.614 176.614 176.737 -0.123 19766 7586 1 12 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.472 1.129 19766 7587 1 12 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.773 1.827 19766 7588 1 12 . 1 1 71 71 ASN H H 71 7.541 7.541 7.927 -0.386 19766 7589 1 12 . 1 1 72 72 LEU N N 72 116.127 116.127 117.019 -0.892 19766 7590 1 12 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.250 0.399 19766 7591 1 12 . 1 1 72 72 LEU C C 72 177.465 177.465 176.287 1.178 19766 7592 1 12 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.349 -0.998 19766 7593 1 12 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.065 0.483 19766 7594 1 12 . 1 1 72 72 LEU H H 72 8.323 8.323 7.998 0.325 19766 7595 1 12 . 1 1 73 73 ASN N N 73 118.792 118.792 117.578 1.214 19766 7596 1 12 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.679 -0.269 19766 7597 1 12 . 1 1 73 73 ASN C C 73 177.085 177.085 176.599 0.486 19766 7598 1 12 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.836 1.718 19766 7599 1 12 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.367 1.091 19766 7600 1 12 . 1 1 73 73 ASN H H 73 6.965 6.965 7.464 -0.499 19766 7601 1 12 . 1 1 74 74 GLY N N 74 115.779 115.779 114.112 1.667 19766 7602 1 12 . 1 1 74 74 GLY C C 74 172.848 172.848 173.929 -1.081 19766 7603 1 12 . 1 1 74 74 GLY CA C 74 45.758 45.758 45.003 0.755 19766 7604 1 12 . 1 1 74 74 GLY H H 74 9.389 9.389 8.597 0.792 19766 7605 1 12 . 1 1 75 75 PHE N N 75 123.194 123.194 123.076 0.118 19766 7606 1 12 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.424 -0.137 19766 7607 1 12 . 1 1 75 75 PHE C C 75 174.778 174.778 174.803 -0.025 19766 7608 1 12 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.256 0.617 19766 7609 1 12 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.154 1.448 19766 7610 1 12 . 1 1 75 75 PHE H H 75 8.133 8.133 8.160 -0.027 19766 7611 1 12 . 1 1 76 76 LYS N N 76 127.364 127.364 128.859 -1.495 19766 7612 1 12 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.579 0.092 19766 7613 1 12 . 1 1 76 76 LYS C C 76 175.286 175.286 175.732 -0.446 19766 7614 1 12 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.764 0.488 19766 7615 1 12 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.276 0.925 19766 7616 1 12 . 1 1 76 76 LYS H H 76 7.596 7.596 8.147 -0.551 19766 7617 1 12 . 1 1 77 77 ILE N N 77 120.094 120.094 128.871 -8.777 19766 7618 1 12 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.269 0.089 19766 7619 1 12 . 1 1 77 77 ILE C C 77 177.519 177.519 175.145 2.374 19766 7620 1 12 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.003 -0.500 19766 7621 1 12 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.526 1.110 19766 7622 1 12 . 1 1 77 77 ILE H H 77 8.004 8.004 9.180 -1.176 19766 7623 1 12 . 1 1 78 78 GLY N N 78 119.932 119.932 116.291 3.641 19766 7624 1 12 . 1 1 78 78 GLY C C 78 175.944 175.944 175.585 0.359 19766 7625 1 12 . 1 1 78 78 GLY CA C 78 47.219 47.219 44.834 2.385 19766 7626 1 12 . 1 1 78 78 GLY H H 78 10.183 10.183 8.945 1.238 19766 7627 1 12 . 1 1 79 79 GLY N N 79 104.505 104.505 104.836 -0.331 19766 7628 1 12 . 1 1 79 79 GLY C C 79 173.347 173.347 173.682 -0.335 19766 7629 1 12 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.992 0.100 19766 7630 1 12 . 1 1 79 79 GLY H H 79 8.892 8.892 8.750 0.142 19766 7631 1 12 . 1 1 80 80 ARG N N 80 119.144 119.144 118.129 1.015 19766 7632 1 12 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.690 -0.024 19766 7633 1 12 . 1 1 80 80 ARG C C 80 174.693 174.693 173.604 1.089 19766 7634 1 12 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.046 0.632 19766 7635 1 12 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.461 0.947 19766 7636 1 12 . 1 1 80 80 ARG H H 80 7.281 7.281 7.445 -0.164 19766 7637 1 12 . 1 1 81 81 ALA N N 81 126.229 126.229 121.734 4.495 19766 7638 1 12 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.470 -1.269 19766 7639 1 12 . 1 1 81 81 ALA C C 81 176.967 176.967 176.498 0.469 19766 7640 1 12 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.375 0.754 19766 7641 1 12 . 1 1 81 81 ALA CB C 81 19.200 19.200 21.828 -2.628 19766 7642 1 12 . 1 1 81 81 ALA H H 81 8.673 8.673 8.275 0.398 19766 7643 1 12 . 1 1 82 82 LEU N N 82 125.471 125.471 116.705 8.766 19766 7644 1 12 . 1 1 82 82 LEU HA H 82 4.424 4.424 5.128 -0.704 19766 7645 1 12 . 1 1 82 82 LEU C C 82 177.436 177.436 176.024 1.412 19766 7646 1 12 . 1 1 82 82 LEU CA C 82 56.150 56.150 53.856 2.294 19766 7647 1 12 . 1 1 82 82 LEU CB C 82 43.273 43.273 43.296 -0.023 19766 7648 1 12 . 1 1 82 82 LEU H H 82 8.702 8.702 8.166 0.536 19766 7649 1 12 . 1 1 83 83 LYS N N 83 123.609 123.609 121.805 1.804 19766 7650 1 12 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.360 -0.355 19766 7651 1 12 . 1 1 83 83 LYS C C 83 174.759 174.759 175.418 -0.659 19766 7652 1 12 . 1 1 83 83 LYS CA C 83 54.785 54.785 53.907 0.878 19766 7653 1 12 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.891 -0.445 19766 7654 1 12 . 1 1 83 83 LYS H H 83 7.853 7.853 8.626 -0.773 19766 7655 1 12 . 1 1 84 84 ILE N N 84 125.547 125.547 126.013 -0.466 19766 7656 1 12 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.608 0.091 19766 7657 1 12 . 1 1 84 84 ILE C C 84 174.989 174.989 175.625 -0.636 19766 7658 1 12 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.546 -1.127 19766 7659 1 12 . 1 1 84 84 ILE CB C 84 40.367 40.367 42.029 -1.662 19766 7660 1 12 . 1 1 84 84 ILE H H 84 8.719 8.719 8.752 -0.033 19766 7661 1 12 . 1 1 85 85 ASP N N 85 124.650 124.650 122.667 1.983 19766 7662 1 12 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.054 -0.050 19766 7663 1 12 . 1 1 85 85 ASP C C 85 175.302 175.302 174.507 0.795 19766 7664 1 12 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.710 -0.229 19766 7665 1 12 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.215 1.254 19766 7666 1 12 . 1 1 85 85 ASP H H 85 8.826 8.826 8.708 0.118 19766 7667 1 12 . 1 1 86 86 HIS N N 86 121.936 121.936 118.783 3.153 19766 7668 1 12 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.503 -0.800 19766 7669 1 12 . 1 1 86 86 HIS C C 86 175.216 175.216 175.002 0.214 19766 7670 1 12 . 1 1 86 86 HIS CA C 86 57.944 57.944 55.724 2.220 19766 7671 1 12 . 1 1 86 86 HIS CB C 86 31.480 31.480 32.139 -0.659 19766 7672 1 12 . 1 1 86 86 HIS H H 86 8.909 8.909 8.562 0.347 19766 7673 1 12 . 1 1 87 87 THR N N 87 116.612 116.612 117.482 -0.870 19766 7674 1 12 . 1 1 87 87 THR HA H 87 4.688 4.688 4.711 -0.023 19766 7675 1 12 . 1 1 87 87 THR CA C 87 61.030 61.030 60.548 0.481 19766 7676 1 12 . 1 1 87 87 THR CB C 87 69.903 69.903 71.579 -1.676 19766 7677 1 12 . 1 1 87 87 THR H H 87 8.521 8.521 9.241 -0.720 19766 7678 1 12 . 1 1 88 88 PHE N N 88 123.233 123.233 122.655 0.578 19766 7679 1 12 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.916 0.378 19766 7680 1 12 . 1 1 88 88 PHE C C 88 176.452 176.452 173.866 2.586 19766 7681 1 12 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.930 -0.997 19766 7682 1 12 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.584 -0.471 19766 7683 1 12 . 1 1 88 88 PHE H H 88 8.145 8.145 8.322 -0.177 19766 7684 1 12 . 1 1 89 89 TYR N N 89 122.872 122.872 122.107 0.765 19766 7685 1 12 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.694 -0.620 19766 7686 1 12 . 1 1 89 89 TYR C C 89 173.089 173.089 173.440 -0.351 19766 7687 1 12 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.936 1.593 19766 7688 1 12 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.961 -0.153 19766 7689 1 12 . 1 1 89 89 TYR H H 89 8.242 8.242 7.422 0.820 19766 7690 1 12 . 1 1 90 90 ARG N N 90 128.867 128.867 122.764 6.103 19766 7691 1 12 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.150 0.279 19766 7692 1 12 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.483 -1.915 19766 7693 1 12 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.671 1.323 19766 7694 1 12 . 1 1 90 90 ARG H H 90 7.018 7.018 8.452 -1.434 19766 7695 1 12 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.115 0.075 19766 7696 1 12 . 1 1 91 91 PRO C C 91 176.284 176.284 176.252 0.032 19766 7697 1 12 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.122 0.367 19766 7698 1 12 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.651 1.396 19766 7699 1 12 . 1 1 92 92 LYS N N 92 119.987 119.987 122.981 -2.994 19766 7700 1 12 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.290 0.392 19766 7701 1 12 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.183 -1.496 19766 7702 1 12 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.416 1.643 19766 7703 1 12 . 1 1 92 92 LYS H H 92 8.672 8.672 8.114 0.558 19766 7704 1 12 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.196 -0.022 19766 7705 1 12 . 1 1 93 93 ARG C C 93 178.848 178.848 178.458 0.390 19766 7706 1 12 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.463 0.729 19766 7707 1 12 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.482 0.314 19766 7708 1 12 . 1 1 94 94 SER N N 94 112.252 112.252 115.285 -3.033 19766 7709 1 12 . 1 1 94 94 SER HA H 94 4.266 4.266 4.337 -0.071 19766 7710 1 12 . 1 1 94 94 SER C C 94 175.827 175.827 175.014 0.813 19766 7711 1 12 . 1 1 94 94 SER CA C 94 60.087 60.087 60.916 -0.829 19766 7712 1 12 . 1 1 94 94 SER CB C 94 62.266 62.266 62.843 -0.577 19766 7713 1 12 . 1 1 94 94 SER H H 94 8.353 8.353 8.563 -0.210 19766 7714 1 12 . 1 1 95 95 LEU N N 95 122.261 122.261 120.491 1.770 19766 7715 1 12 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.688 -0.023 19766 7716 1 12 . 1 1 95 95 LEU C C 95 175.444 175.444 177.178 -1.734 19766 7717 1 12 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.267 0.837 19766 7718 1 12 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.719 0.193 19766 7719 1 12 . 1 1 95 95 LEU H H 95 7.229 7.229 7.375 -0.146 19766 7720 1 12 . 1 1 96 96 GLN N N 96 118.873 118.873 120.588 -1.715 19766 7721 1 12 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.204 -0.111 19766 7722 1 12 . 1 1 96 96 GLN C C 96 177.668 177.668 177.370 0.298 19766 7723 1 12 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.184 1.526 19766 7724 1 12 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.067 0.914 19766 7725 1 12 . 1 1 96 96 GLN H H 96 7.390 7.390 7.828 -0.438 19766 7726 1 12 . 1 1 97 97 LYS N N 97 116.416 116.416 119.304 -2.888 19766 7727 1 12 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.059 0.058 19766 7728 1 12 . 1 1 97 97 LYS C C 97 179.237 179.237 179.194 0.043 19766 7729 1 12 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.451 0.942 19766 7730 1 12 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.596 -0.080 19766 7731 1 12 . 1 1 97 97 LYS H H 97 8.595 8.595 8.329 0.266 19766 7732 1 12 . 1 1 98 98 TYR N N 98 123.922 123.922 121.671 2.251 19766 7733 1 12 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.112 0.025 19766 7734 1 12 . 1 1 98 98 TYR C C 98 177.309 177.309 177.609 -0.300 19766 7735 1 12 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.141 0.088 19766 7736 1 12 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.575 -1.285 19766 7737 1 12 . 1 1 98 98 TYR H H 98 7.558 7.558 8.050 -0.492 19766 7738 1 12 . 1 1 99 99 TYR N N 99 118.047 118.047 118.219 -0.172 19766 7739 1 12 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.069 1.039 19766 7740 1 12 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.212 -4.314 19766 7741 1 12 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.215 -0.994 19766 7742 1 12 . 1 1 99 99 TYR H H 99 8.624 8.624 7.701 0.923 19766 7743 1 12 . 1 1 100 100 GLU N N 100 118.804 118.804 118.508 0.296 19766 7744 1 12 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.975 0.091 19766 7745 1 12 . 1 1 100 100 GLU C C 100 178.595 178.595 178.342 0.253 19766 7746 1 12 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.411 0.074 19766 7747 1 12 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.134 0.661 19766 7748 1 12 . 1 1 100 100 GLU H H 100 8.348 8.348 8.992 -0.644 19766 7749 1 12 . 1 1 101 101 ALA N N 101 123.315 123.315 122.112 1.203 19766 7750 1 12 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.077 0.218 19766 7751 1 12 . 1 1 101 101 ALA C C 101 181.438 181.438 179.783 1.655 19766 7752 1 12 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.678 0.180 19766 7753 1 12 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.209 0.468 19766 7754 1 12 . 1 1 101 101 ALA H H 101 7.963 7.963 7.709 0.254 19766 7755 1 12 . 1 1 102 102 VAL N N 102 120.092 120.092 119.139 0.953 19766 7756 1 12 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.374 0.403 19766 7757 1 12 . 1 1 102 102 VAL C C 102 176.958 176.958 177.674 -0.716 19766 7758 1 12 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.423 0.982 19766 7759 1 12 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.645 0.191 19766 7760 1 12 . 1 1 102 102 VAL H H 102 8.321 8.321 7.784 0.537 19766 7761 1 12 . 1 1 103 103 LYS N N 103 120.226 120.226 118.801 1.425 19766 7762 1 12 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.003 -0.077 19766 7763 1 12 . 1 1 103 103 LYS C C 103 178.354 178.354 178.696 -0.342 19766 7764 1 12 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.404 0.279 19766 7765 1 12 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.725 0.451 19766 7766 1 12 . 1 1 103 103 LYS H H 103 8.266 8.266 8.205 0.061 19766 7767 1 12 . 1 1 104 104 GLU N N 104 116.521 116.521 119.141 -2.620 19766 7768 1 12 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.043 -0.082 19766 7769 1 12 . 1 1 104 104 GLU C C 104 178.628 178.628 178.622 0.006 19766 7770 1 12 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.283 -0.173 19766 7771 1 12 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.061 0.664 19766 7772 1 12 . 1 1 104 104 GLU H H 104 8.027 8.027 8.297 -0.270 19766 7773 1 12 . 1 1 105 105 GLU N N 105 118.569 118.569 117.855 0.714 19766 7774 1 12 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.219 -0.319 19766 7775 1 12 . 1 1 105 105 GLU C C 105 178.399 178.399 179.033 -0.634 19766 7776 1 12 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.907 0.357 19766 7777 1 12 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.826 -0.053 19766 7778 1 12 . 1 1 105 105 GLU H H 105 7.225 7.225 7.670 -0.445 19766 7779 1 12 . 1 1 106 106 LEU N N 106 116.938 116.938 119.490 -2.552 19766 7780 1 12 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.036 -0.003 19766 7781 1 12 . 1 1 106 106 LEU C C 106 179.770 179.770 179.448 0.322 19766 7782 1 12 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.536 -0.611 19766 7783 1 12 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.731 -1.446 19766 7784 1 12 . 1 1 106 106 LEU H H 106 8.273 8.273 7.500 0.773 19766 7785 1 12 . 1 1 107 107 ASP N N 107 119.855 119.855 119.416 0.439 19766 7786 1 12 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.384 0.164 19766 7787 1 12 . 1 1 107 107 ASP C C 107 177.891 177.891 177.776 0.115 19766 7788 1 12 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.526 -1.593 19766 7789 1 12 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.697 0.017 19766 7790 1 12 . 1 1 107 107 ASP H H 107 8.286 8.286 8.844 -0.558 19766 7791 1 12 . 1 1 108 108 ARG N N 108 118.853 118.853 116.621 2.232 19766 7792 1 12 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.151 -0.070 19766 7793 1 12 . 1 1 108 108 ARG C C 108 177.325 177.325 177.689 -0.364 19766 7794 1 12 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.809 0.200 19766 7795 1 12 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.680 0.724 19766 7796 1 12 . 1 1 108 108 ARG H H 108 7.406 7.406 7.375 0.031 19766 7797 1 12 . 1 1 109 109 ASP N N 109 119.636 119.636 118.141 1.495 19766 7798 1 12 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.607 -0.072 19766 7799 1 12 . 1 1 109 109 ASP C C 109 176.758 176.758 177.363 -0.605 19766 7800 1 12 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.321 -0.083 19766 7801 1 12 . 1 1 109 109 ASP CB C 109 40.745 40.745 42.066 -1.321 19766 7802 1 12 . 1 1 109 109 ASP H H 109 7.853 7.853 7.846 0.007 19766 7803 1 12 . 1 1 110 110 ILE N N 110 119.905 119.905 119.145 0.760 19766 7804 1 12 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.016 0.088 19766 7805 1 12 . 1 1 110 110 ILE C C 110 176.642 176.642 176.755 -0.113 19766 7806 1 12 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.871 -2.095 19766 7807 1 12 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.838 -0.384 19766 7808 1 12 . 1 1 110 110 ILE H H 110 7.623 7.623 7.447 0.176 19766 7809 1 12 . 1 1 111 111 VAL N N 111 122.938 122.938 121.114 1.824 19766 7810 1 12 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.932 0.146 19766 7811 1 12 . 1 1 111 111 VAL C C 111 176.668 176.668 175.159 1.509 19766 7812 1 12 . 1 1 111 111 VAL CA C 111 63.037 63.037 63.323 -0.286 19766 7813 1 12 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.381 0.101 19766 7814 1 12 . 1 1 111 111 VAL H H 111 8.043 8.043 7.921 0.122 19766 7815 1 12 . 1 1 112 112 SER N N 112 118.345 118.345 124.175 -5.830 19766 7816 1 12 . 1 1 112 112 SER HA H 112 4.417 4.417 4.527 -0.110 19766 7817 1 12 . 1 1 112 112 SER C C 112 174.925 174.925 174.213 0.712 19766 7818 1 12 . 1 1 112 112 SER CA C 112 58.848 58.848 57.625 1.223 19766 7819 1 12 . 1 1 112 112 SER CB C 112 63.551 63.551 64.075 -0.524 19766 7820 1 12 . 1 1 112 112 SER H H 112 8.210 8.210 8.489 -0.279 19766 7821 1 12 . 1 1 113 113 LYS N N 113 122.729 122.729 124.971 -2.242 19766 7822 1 12 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.325 -0.007 19766 7823 1 12 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.044 0.552 19766 7824 1 12 . 1 1 113 113 LYS CB C 113 32.846 32.846 31.294 1.552 19766 7825 1 12 . 1 1 113 113 LYS H H 113 8.295 8.295 8.658 -0.363 19766 7826 1 12 . 1 1 114 114 ASN N N 114 119.243 119.243 123.174 -3.931 19766 7827 1 12 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.763 -0.085 19766 7828 1 12 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.724 -0.241 19766 7829 1 12 . 1 1 114 114 ASN CB C 114 38.858 38.858 38.947 -0.089 19766 7830 1 12 . 1 1 114 114 ASN H H 114 8.372 8.372 8.398 -0.026 19766 7831 1 12 . 1 1 115 115 ASN N N 115 119.155 119.155 118.497 0.658 19766 7832 1 12 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.831 -0.149 19766 7833 1 12 . 1 1 115 115 ASN C C 115 174.877 174.877 174.454 0.423 19766 7834 1 12 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.120 0.363 19766 7835 1 12 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.010 -0.152 19766 7836 1 12 . 1 1 115 115 ASN H H 115 8.372 8.372 8.455 -0.083 19766 7837 1 12 . 1 1 116 116 ALA N N 116 123.743 123.743 128.482 -4.739 19766 7838 1 12 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.536 -0.207 19766 7839 1 12 . 1 1 116 116 ALA C C 116 177.574 177.574 177.195 0.379 19766 7840 1 12 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.643 1.050 19766 7841 1 12 . 1 1 116 116 ALA CB C 116 19.347 19.347 17.632 1.715 19766 7842 1 12 . 1 1 116 116 ALA H H 116 8.116 8.116 8.685 -0.569 19766 7843 1 12 . 1 1 117 117 GLU N N 117 120.161 120.161 121.747 -1.586 19766 7844 1 12 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.053 0.220 19766 7845 1 12 . 1 1 117 117 GLU C C 117 175.557 175.557 176.962 -1.405 19766 7846 1 12 . 1 1 117 117 GLU CA C 117 56.659 56.659 57.793 -1.134 19766 7847 1 12 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.179 -0.025 19766 7848 1 12 . 1 1 117 117 GLU H H 117 8.220 8.220 8.341 -0.121 19766 7849 1 13 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.113 0.227 19766 7850 1 13 . 1 1 2 2 ALA C C 2 177.830 177.830 177.285 0.545 19766 7851 1 13 . 1 1 2 2 ALA CA C 2 52.693 52.693 53.067 -0.374 19766 7852 1 13 . 1 1 2 2 ALA CB C 2 19.359 19.359 17.756 1.603 19766 7853 1 13 . 1 1 3 3 MET N N 3 119.580 119.580 118.698 0.882 19766 7854 1 13 . 1 1 3 3 MET HA H 3 4.482 4.482 4.606 -0.124 19766 7855 1 13 . 1 1 3 3 MET C C 3 176.714 176.714 176.576 0.138 19766 7856 1 13 . 1 1 3 3 MET CA C 3 55.590 55.590 54.502 1.088 19766 7857 1 13 . 1 1 3 3 MET CB C 3 32.922 32.922 32.518 0.404 19766 7858 1 13 . 1 1 3 3 MET H H 3 8.451 8.451 7.999 0.452 19766 7859 1 13 . 1 1 4 4 GLY N N 4 109.951 109.951 112.172 -2.221 19766 7860 1 13 . 1 1 4 4 GLY C C 4 174.082 174.082 174.203 -0.121 19766 7861 1 13 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.547 0.919 19766 7862 1 13 . 1 1 4 4 GLY H H 4 8.400 8.400 9.021 -0.621 19766 7863 1 13 . 1 1 5 5 ASN N N 5 118.667 118.667 122.520 -3.853 19766 7864 1 13 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.570 0.114 19766 7865 1 13 . 1 1 5 5 ASN C C 5 175.489 175.489 175.456 0.033 19766 7866 1 13 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.167 -0.666 19766 7867 1 13 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.637 0.329 19766 7868 1 13 . 1 1 5 5 ASN H H 5 8.378 8.378 7.986 0.392 19766 7869 1 13 . 1 1 6 6 GLU N N 6 120.908 120.908 118.215 2.693 19766 7870 1 13 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.120 0.046 19766 7871 1 13 . 1 1 6 6 GLU C C 6 176.336 176.336 176.343 -0.007 19766 7872 1 13 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.531 -0.262 19766 7873 1 13 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.293 0.443 19766 7874 1 13 . 1 1 6 6 GLU H H 6 8.620 8.620 8.316 0.304 19766 7875 1 13 . 1 1 7 7 TYR N N 7 120.339 120.339 118.712 1.627 19766 7876 1 13 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.397 0.103 19766 7877 1 13 . 1 1 7 7 TYR C C 7 175.808 175.808 175.757 0.051 19766 7878 1 13 . 1 1 7 7 TYR CA C 7 58.151 58.151 59.222 -1.071 19766 7879 1 13 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.513 -0.319 19766 7880 1 13 . 1 1 7 7 TYR H H 7 8.045 8.045 7.257 0.788 19766 7881 1 13 . 1 1 8 8 LYS N N 8 121.700 121.700 122.689 -0.989 19766 7882 1 13 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.371 -0.221 19766 7883 1 13 . 1 1 8 8 LYS C C 8 175.868 175.868 176.960 -1.092 19766 7884 1 13 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.077 -0.515 19766 7885 1 13 . 1 1 8 8 LYS CB C 8 33.158 33.158 33.953 -0.795 19766 7886 1 13 . 1 1 8 8 LYS H H 8 7.829 7.829 8.326 -0.497 19766 7887 1 13 . 1 1 9 9 ASP N N 9 119.811 119.811 118.405 1.406 19766 7888 1 13 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.525 0.113 19766 7889 1 13 . 1 1 9 9 ASP C C 9 175.972 175.972 175.020 0.952 19766 7890 1 13 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.732 -0.108 19766 7891 1 13 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.751 0.788 19766 7892 1 13 . 1 1 9 9 ASP H H 9 8.137 8.137 8.585 -0.448 19766 7893 1 13 . 1 1 10 10 ASN N N 10 119.794 119.794 117.739 2.055 19766 7894 1 13 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.086 -0.114 19766 7895 1 13 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.726 0.119 19766 7896 1 13 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.439 0.320 19766 7897 1 13 . 1 1 10 10 ASN H H 10 8.292 8.292 8.068 0.224 19766 7898 1 13 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.621 -0.018 19766 7899 1 13 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.338 0.911 19766 7900 1 13 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.775 -0.587 19766 7901 1 13 . 1 1 12 12 TYR N N 12 118.889 118.889 119.489 -0.600 19766 7902 1 13 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.345 -0.201 19766 7903 1 13 . 1 1 12 12 TYR C C 12 177.773 177.773 175.706 2.067 19766 7904 1 13 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.630 -1.447 19766 7905 1 13 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.766 2.816 19766 7906 1 13 . 1 1 12 12 TYR H H 12 8.057 8.057 7.843 0.214 19766 7907 1 13 . 1 1 13 13 ILE N N 13 112.765 112.765 118.183 -5.418 19766 7908 1 13 . 1 1 13 13 ILE HA H 13 5.154 5.154 4.911 0.243 19766 7909 1 13 . 1 1 13 13 ILE C C 13 174.312 174.312 174.375 -0.063 19766 7910 1 13 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.358 0.678 19766 7911 1 13 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.762 -0.866 19766 7912 1 13 . 1 1 13 13 ILE H H 13 9.310 9.310 9.313 -0.003 19766 7913 1 13 . 1 1 14 14 TYR N N 14 124.417 124.417 128.622 -4.205 19766 7914 1 13 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.911 -0.204 19766 7915 1 13 . 1 1 14 14 TYR C C 14 173.058 173.058 174.066 -1.008 19766 7916 1 13 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.365 -1.153 19766 7917 1 13 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.266 0.953 19766 7918 1 13 . 1 1 14 14 TYR H H 14 9.252 9.252 9.209 0.043 19766 7919 1 13 . 1 1 15 15 ILE N N 15 127.660 127.660 129.200 -1.540 19766 7920 1 13 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.138 -0.873 19766 7921 1 13 . 1 1 15 15 ILE C C 15 173.705 173.705 174.805 -1.100 19766 7922 1 13 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.649 -0.163 19766 7923 1 13 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.522 1.480 19766 7924 1 13 . 1 1 15 15 ILE H H 15 8.558 8.558 8.672 -0.114 19766 7925 1 13 . 1 1 16 16 GLY N N 16 112.792 112.792 112.362 0.430 19766 7926 1 13 . 1 1 16 16 GLY C C 16 173.110 173.110 172.952 0.158 19766 7927 1 13 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.917 0.332 19766 7928 1 13 . 1 1 16 16 GLY H H 16 9.516 9.516 8.713 0.803 19766 7929 1 13 . 1 1 17 17 ASN N N 17 115.139 115.139 116.760 -1.621 19766 7930 1 13 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.169 0.227 19766 7931 1 13 . 1 1 17 17 ASN C C 17 174.854 174.854 174.209 0.645 19766 7932 1 13 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.828 -0.592 19766 7933 1 13 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.925 0.008 19766 7934 1 13 . 1 1 17 17 ASN H H 17 8.511 8.511 8.178 0.333 19766 7935 1 13 . 1 1 18 18 LEU N N 18 114.660 114.660 118.315 -3.655 19766 7936 1 13 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.464 -0.428 19766 7937 1 13 . 1 1 18 18 LEU C C 18 178.161 178.161 176.067 2.094 19766 7938 1 13 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.899 -0.015 19766 7939 1 13 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.996 -1.434 19766 7940 1 13 . 1 1 18 18 LEU H H 18 7.839 7.839 7.582 0.257 19766 7941 1 13 . 1 1 19 19 ASN N N 19 122.707 122.707 118.345 4.362 19766 7942 1 13 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.673 -0.310 19766 7943 1 13 . 1 1 19 19 ASN C C 19 178.037 178.037 176.478 1.559 19766 7944 1 13 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.357 1.247 19766 7945 1 13 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.425 -0.613 19766 7946 1 13 . 1 1 19 19 ASN H H 19 8.779 8.779 8.486 0.293 19766 7947 1 13 . 1 1 20 20 ARG N N 20 128.724 128.724 121.129 7.595 19766 7948 1 13 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.067 -0.214 19766 7949 1 13 . 1 1 20 20 ARG C C 20 175.612 175.612 176.345 -0.733 19766 7950 1 13 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.176 0.598 19766 7951 1 13 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.341 -0.657 19766 7952 1 13 . 1 1 20 20 ARG H H 20 8.954 8.954 8.735 0.219 19766 7953 1 13 . 1 1 21 21 GLU N N 21 117.609 117.609 117.273 0.336 19766 7954 1 13 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.194 0.079 19766 7955 1 13 . 1 1 21 21 GLU C C 21 177.285 177.285 175.915 1.370 19766 7956 1 13 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.602 0.180 19766 7957 1 13 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.912 1.587 19766 7958 1 13 . 1 1 21 21 GLU H H 21 9.092 9.092 8.412 0.680 19766 7959 1 13 . 1 1 22 22 LEU N N 22 116.169 116.169 123.307 -7.138 19766 7960 1 13 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.487 0.069 19766 7961 1 13 . 1 1 22 22 LEU C C 22 178.328 178.328 176.003 2.325 19766 7962 1 13 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.361 1.295 19766 7963 1 13 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.835 0.391 19766 7964 1 13 . 1 1 22 22 LEU H H 22 7.208 7.208 7.274 -0.066 19766 7965 1 13 . 1 1 23 23 THR N N 23 113.733 113.733 117.179 -3.446 19766 7966 1 13 . 1 1 23 23 THR HA H 23 4.349 4.349 4.607 -0.258 19766 7967 1 13 . 1 1 23 23 THR C C 23 175.225 175.225 175.375 -0.150 19766 7968 1 13 . 1 1 23 23 THR CA C 23 59.960 59.960 59.605 0.355 19766 7969 1 13 . 1 1 23 23 THR CB C 23 72.172 72.172 71.425 0.746 19766 7970 1 13 . 1 1 23 23 THR H H 23 8.732 8.732 8.129 0.603 19766 7971 1 13 . 1 1 24 24 GLU N N 24 119.838 119.838 123.720 -3.882 19766 7972 1 13 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.975 -0.318 19766 7973 1 13 . 1 1 24 24 GLU C C 24 178.983 178.983 178.742 0.241 19766 7974 1 13 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.833 2.738 19766 7975 1 13 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.182 -1.836 19766 7976 1 13 . 1 1 24 24 GLU H H 24 9.761 9.761 9.021 0.740 19766 7977 1 13 . 1 1 25 25 GLY N N 25 104.462 104.462 105.817 -1.355 19766 7978 1 13 . 1 1 25 25 GLY C C 25 175.139 175.139 175.600 -0.461 19766 7979 1 13 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.749 0.856 19766 7980 1 13 . 1 1 25 25 GLY H H 25 8.486 8.486 8.053 0.433 19766 7981 1 13 . 1 1 26 26 ASP N N 26 123.296 123.296 123.276 0.020 19766 7982 1 13 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.532 0.038 19766 7983 1 13 . 1 1 26 26 ASP C C 26 178.135 178.135 178.355 -0.220 19766 7984 1 13 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.742 1.071 19766 7985 1 13 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.170 0.715 19766 7986 1 13 . 1 1 26 26 ASP H H 26 7.960 7.960 7.833 0.127 19766 7987 1 13 . 1 1 27 27 ILE N N 27 118.853 118.853 121.124 -2.271 19766 7988 1 13 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.745 -0.138 19766 7989 1 13 . 1 1 27 27 ILE C C 27 178.424 178.424 178.160 0.264 19766 7990 1 13 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.071 0.670 19766 7991 1 13 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.847 -0.135 19766 7992 1 13 . 1 1 27 27 ILE H H 27 8.159 8.159 8.122 0.037 19766 7993 1 13 . 1 1 28 28 LEU N N 28 118.549 118.549 120.101 -1.552 19766 7994 1 13 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.915 -0.011 19766 7995 1 13 . 1 1 28 28 LEU C C 28 180.057 180.057 179.297 0.760 19766 7996 1 13 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.399 0.132 19766 7997 1 13 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.261 0.684 19766 7998 1 13 . 1 1 28 28 LEU H H 28 8.414 8.414 8.483 -0.069 19766 7999 1 13 . 1 1 29 29 THR N N 29 122.156 122.156 113.412 8.744 19766 8000 1 13 . 1 1 29 29 THR HA H 29 4.032 4.032 4.018 0.014 19766 8001 1 13 . 1 1 29 29 THR C C 29 175.113 175.113 175.518 -0.405 19766 8002 1 13 . 1 1 29 29 THR CA C 29 66.754 66.754 65.948 0.806 19766 8003 1 13 . 1 1 29 29 THR CB C 29 68.490 68.490 68.574 -0.084 19766 8004 1 13 . 1 1 29 29 THR H H 29 8.715 8.715 7.758 0.957 19766 8005 1 13 . 1 1 30 30 VAL N N 30 116.487 116.487 118.452 -1.965 19766 8006 1 13 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.809 0.022 19766 8007 1 13 . 1 1 30 30 VAL C C 30 179.968 179.968 177.695 2.273 19766 8008 1 13 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.725 0.790 19766 8009 1 13 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.868 1.176 19766 8010 1 13 . 1 1 30 30 VAL H H 30 7.713 7.713 7.751 -0.038 19766 8011 1 13 . 1 1 31 31 PHE N N 31 113.658 113.658 118.305 -4.647 19766 8012 1 13 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.619 -0.752 19766 8013 1 13 . 1 1 31 31 PHE C C 31 179.577 179.577 178.332 1.245 19766 8014 1 13 . 1 1 31 31 PHE CA C 31 62.403 62.403 59.782 2.620 19766 8015 1 13 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.527 -1.214 19766 8016 1 13 . 1 1 31 31 PHE H H 31 8.876 8.876 9.030 -0.154 19766 8017 1 13 . 1 1 32 32 SER N N 32 118.635 118.635 115.475 3.160 19766 8018 1 13 . 1 1 32 32 SER HA H 32 5.381 5.381 4.644 0.737 19766 8019 1 13 . 1 1 32 32 SER C C 32 172.662 172.662 175.336 -2.674 19766 8020 1 13 . 1 1 32 32 SER CA C 32 61.338 61.338 60.299 1.039 19766 8021 1 13 . 1 1 32 32 SER CB C 32 63.875 63.875 62.886 0.989 19766 8022 1 13 . 1 1 32 32 SER H H 32 8.106 8.106 8.275 -0.169 19766 8023 1 13 . 1 1 33 33 GLU N N 33 121.234 121.234 121.470 -0.236 19766 8024 1 13 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.863 -1.706 19766 8025 1 13 . 1 1 33 33 GLU C C 33 174.223 174.223 177.656 -3.433 19766 8026 1 13 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.606 1.034 19766 8027 1 13 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.165 -1.334 19766 8028 1 13 . 1 1 33 33 GLU H H 33 6.964 6.964 7.421 -0.457 19766 8029 1 13 . 1 1 34 34 TYR N N 34 107.930 107.930 115.110 -7.180 19766 8030 1 13 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.695 -0.542 19766 8031 1 13 . 1 1 34 34 TYR C C 34 173.208 173.208 175.735 -2.527 19766 8032 1 13 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.733 -0.404 19766 8033 1 13 . 1 1 34 34 TYR CB C 34 38.878 38.878 39.760 -0.882 19766 8034 1 13 . 1 1 34 34 TYR H H 34 6.229 6.229 7.467 -1.238 19766 8035 1 13 . 1 1 35 35 GLY N N 35 103.542 103.542 105.989 -2.447 19766 8036 1 13 . 1 1 35 35 GLY C C 35 170.379 170.379 172.009 -1.630 19766 8037 1 13 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.495 -0.816 19766 8038 1 13 . 1 1 35 35 GLY H H 35 7.257 7.257 7.407 -0.150 19766 8039 1 13 . 1 1 36 36 VAL N N 36 120.446 120.446 120.863 -0.417 19766 8040 1 13 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.402 0.102 19766 8041 1 13 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.429 0.286 19766 8042 1 13 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.044 0.987 19766 8043 1 13 . 1 1 36 36 VAL H H 36 8.438 8.438 8.425 0.013 19766 8044 1 13 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.068 0.635 19766 8045 1 13 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.787 -0.413 19766 8046 1 13 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.197 0.874 19766 8047 1 13 . 1 1 38 38 VAL N N 38 113.929 113.929 121.351 -7.422 19766 8048 1 13 . 1 1 38 38 VAL HA H 38 4.482 4.482 3.913 0.569 19766 8049 1 13 . 1 1 38 38 VAL CA C 38 60.454 60.454 64.096 -3.642 19766 8050 1 13 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.540 -0.036 19766 8051 1 13 . 1 1 38 38 VAL H H 38 8.966 8.966 8.105 0.861 19766 8052 1 13 . 1 1 39 39 ASP N N 39 118.213 118.213 116.839 1.374 19766 8053 1 13 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.747 -0.072 19766 8054 1 13 . 1 1 39 39 ASP C C 39 174.637 174.637 173.451 1.186 19766 8055 1 13 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.616 1.072 19766 8056 1 13 . 1 1 39 39 ASP CB C 39 43.807 43.807 43.565 0.242 19766 8057 1 13 . 1 1 39 39 ASP H H 39 7.500 7.500 7.762 -0.262 19766 8058 1 13 . 1 1 40 40 VAL N N 40 121.576 121.576 124.295 -2.719 19766 8059 1 13 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.036 -0.045 19766 8060 1 13 . 1 1 40 40 VAL C C 40 170.562 170.562 173.291 -2.729 19766 8061 1 13 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.627 0.731 19766 8062 1 13 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.776 -0.557 19766 8063 1 13 . 1 1 40 40 VAL H H 40 7.657 7.657 8.529 -0.872 19766 8064 1 13 . 1 1 41 41 ILE N N 41 125.384 125.384 122.186 3.198 19766 8065 1 13 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.745 0.073 19766 8066 1 13 . 1 1 41 41 ILE C C 41 175.425 175.425 172.955 2.470 19766 8067 1 13 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.331 2.159 19766 8068 1 13 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.106 1.450 19766 8069 1 13 . 1 1 41 41 ILE H H 41 8.901 8.901 8.913 -0.012 19766 8070 1 13 . 1 1 42 42 LEU N N 42 128.888 128.888 127.325 1.563 19766 8071 1 13 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.724 -0.263 19766 8072 1 13 . 1 1 42 42 LEU C C 42 174.934 174.934 175.535 -0.601 19766 8073 1 13 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.374 0.003 19766 8074 1 13 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.119 0.420 19766 8075 1 13 . 1 1 42 42 LEU H H 42 8.344 8.344 8.797 -0.453 19766 8076 1 13 . 1 1 43 43 SER N N 43 122.818 122.818 122.034 0.784 19766 8077 1 13 . 1 1 43 43 SER HA H 43 3.876 3.876 4.539 -0.663 19766 8078 1 13 . 1 1 43 43 SER C C 43 173.869 173.869 173.234 0.635 19766 8079 1 13 . 1 1 43 43 SER CA C 43 59.688 59.688 58.035 1.653 19766 8080 1 13 . 1 1 43 43 SER CB C 43 62.673 62.673 62.638 0.035 19766 8081 1 13 . 1 1 43 43 SER H H 43 8.362 8.362 8.823 -0.461 19766 8082 1 13 . 1 1 44 44 ARG N N 44 128.045 128.045 125.239 2.806 19766 8083 1 13 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.099 -0.270 19766 8084 1 13 . 1 1 44 44 ARG C C 44 175.031 175.031 175.292 -0.261 19766 8085 1 13 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.534 0.528 19766 8086 1 13 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.135 1.163 19766 8087 1 13 . 1 1 44 44 ARG H H 44 8.079 8.079 7.655 0.424 19766 8088 1 13 . 1 1 45 45 ASP N N 45 123.491 123.491 121.045 2.446 19766 8089 1 13 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.457 -0.220 19766 8090 1 13 . 1 1 45 45 ASP C C 45 177.487 177.487 176.969 0.518 19766 8091 1 13 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.400 0.517 19766 8092 1 13 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.767 0.845 19766 8093 1 13 . 1 1 45 45 ASP H H 45 8.663 8.663 8.533 0.130 19766 8094 1 13 . 1 1 46 46 GLU N N 46 125.446 125.446 125.027 0.419 19766 8095 1 13 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.012 -0.105 19766 8096 1 13 . 1 1 46 46 GLU C C 46 175.655 175.655 176.671 -1.016 19766 8097 1 13 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.383 0.490 19766 8098 1 13 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.870 -0.217 19766 8099 1 13 . 1 1 46 46 GLU H H 46 9.007 9.007 8.755 0.252 19766 8100 1 13 . 1 1 47 47 ASN N N 47 115.343 115.343 116.753 -1.410 19766 8101 1 13 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.656 0.228 19766 8102 1 13 . 1 1 47 47 ASN C C 47 176.665 176.665 176.933 -0.268 19766 8103 1 13 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.960 -0.021 19766 8104 1 13 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.764 0.466 19766 8105 1 13 . 1 1 47 47 ASN H H 47 8.947 8.947 8.408 0.539 19766 8106 1 13 . 1 1 48 48 THR N N 48 107.604 107.604 112.262 -4.658 19766 8107 1 13 . 1 1 48 48 THR HA H 48 4.468 4.468 4.464 0.004 19766 8108 1 13 . 1 1 48 48 THR C C 48 176.465 176.465 175.279 1.186 19766 8109 1 13 . 1 1 48 48 THR CA C 48 61.555 61.555 62.330 -0.775 19766 8110 1 13 . 1 1 48 48 THR CB C 48 71.342 71.342 70.166 1.176 19766 8111 1 13 . 1 1 48 48 THR H H 48 8.450 8.450 8.775 -0.325 19766 8112 1 13 . 1 1 49 49 GLY N N 49 111.809 111.809 111.134 0.675 19766 8113 1 13 . 1 1 49 49 GLY C C 49 173.193 173.193 173.295 -0.102 19766 8114 1 13 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.225 0.498 19766 8115 1 13 . 1 1 49 49 GLY H H 49 8.632 8.632 7.999 0.633 19766 8116 1 13 . 1 1 50 50 GLU N N 50 120.089 120.089 118.140 1.949 19766 8117 1 13 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.270 -0.137 19766 8118 1 13 . 1 1 50 50 GLU C C 50 176.586 176.586 176.298 0.288 19766 8119 1 13 . 1 1 50 50 GLU CA C 50 56.532 56.532 55.116 1.416 19766 8120 1 13 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.263 0.821 19766 8121 1 13 . 1 1 50 50 GLU H H 50 7.825 7.825 7.846 -0.021 19766 8122 1 13 . 1 1 51 51 SER N N 51 115.686 115.686 118.514 -2.828 19766 8123 1 13 . 1 1 51 51 SER HA H 51 4.273 4.273 4.308 -0.035 19766 8124 1 13 . 1 1 51 51 SER C C 51 176.516 176.516 175.355 1.161 19766 8125 1 13 . 1 1 51 51 SER CA C 51 58.415 58.415 58.563 -0.148 19766 8126 1 13 . 1 1 51 51 SER CB C 51 64.668 64.668 63.331 1.337 19766 8127 1 13 . 1 1 51 51 SER H H 51 8.871 8.871 8.655 0.216 19766 8128 1 13 . 1 1 52 52 GLN N N 52 123.284 123.284 127.973 -4.689 19766 8129 1 13 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.331 0.160 19766 8130 1 13 . 1 1 52 52 GLN C C 52 177.471 177.471 176.560 0.911 19766 8131 1 13 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.914 -0.767 19766 8132 1 13 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.465 0.415 19766 8133 1 13 . 1 1 52 52 GLN H H 52 9.103 9.103 8.720 0.383 19766 8134 1 13 . 1 1 53 53 GLY N N 53 105.865 105.865 106.220 -0.355 19766 8135 1 13 . 1 1 53 53 GLY C C 53 172.010 172.010 173.002 -0.992 19766 8136 1 13 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.870 1.775 19766 8137 1 13 . 1 1 53 53 GLY H H 53 8.888 8.888 7.650 1.238 19766 8138 1 13 . 1 1 54 54 PHE N N 54 112.097 112.097 118.458 -6.361 19766 8139 1 13 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.439 -0.093 19766 8140 1 13 . 1 1 54 54 PHE C C 54 171.548 171.548 173.340 -1.792 19766 8141 1 13 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.729 -0.058 19766 8142 1 13 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.766 -2.086 19766 8143 1 13 . 1 1 54 54 PHE H H 54 6.879 6.879 7.122 -0.243 19766 8144 1 13 . 1 1 55 55 ALA N N 55 122.332 122.332 121.612 0.720 19766 8145 1 13 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.937 0.186 19766 8146 1 13 . 1 1 55 55 ALA C C 55 173.074 173.074 174.535 -1.461 19766 8147 1 13 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.771 -1.242 19766 8148 1 13 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.699 3.040 19766 8149 1 13 . 1 1 55 55 ALA H H 55 9.051 9.051 8.846 0.205 19766 8150 1 13 . 1 1 56 56 TYR N N 56 115.022 115.022 116.279 -1.257 19766 8151 1 13 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.913 -0.239 19766 8152 1 13 . 1 1 56 56 TYR C C 56 175.292 175.292 174.455 0.837 19766 8153 1 13 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.374 -0.793 19766 8154 1 13 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.902 -0.555 19766 8155 1 13 . 1 1 56 56 TYR H H 56 9.007 9.007 9.006 0.001 19766 8156 1 13 . 1 1 57 57 LEU N N 57 122.695 122.695 121.388 1.307 19766 8157 1 13 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.469 -0.710 19766 8158 1 13 . 1 1 57 57 LEU C C 57 172.173 172.173 174.170 -1.997 19766 8159 1 13 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.791 1.024 19766 8160 1 13 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.547 0.358 19766 8161 1 13 . 1 1 57 57 LEU H H 57 8.648 8.648 8.937 -0.289 19766 8162 1 13 . 1 1 58 58 LYS N N 58 125.954 125.954 118.463 7.491 19766 8163 1 13 . 1 1 58 58 LYS HA H 58 4.465 4.465 5.028 -0.563 19766 8164 1 13 . 1 1 58 58 LYS C C 58 174.900 174.900 174.858 0.042 19766 8165 1 13 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.761 -0.139 19766 8166 1 13 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.307 1.239 19766 8167 1 13 . 1 1 58 58 LYS H H 58 7.948 7.948 8.877 -0.929 19766 8168 1 13 . 1 1 59 59 TYR N N 59 126.396 126.396 122.695 3.701 19766 8169 1 13 . 1 1 59 59 TYR HA H 59 5.100 5.100 5.034 0.066 19766 8170 1 13 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.191 -0.217 19766 8171 1 13 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.558 2.940 19766 8172 1 13 . 1 1 59 59 TYR H H 59 9.007 9.007 8.167 0.840 19766 8173 1 13 . 1 1 60 60 GLU N N 60 120.848 120.848 119.970 0.878 19766 8174 1 13 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.128 -0.255 19766 8175 1 13 . 1 1 60 60 GLU C C 60 175.081 175.081 176.332 -1.251 19766 8176 1 13 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.078 0.975 19766 8177 1 13 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.398 0.469 19766 8178 1 13 . 1 1 60 60 GLU H H 60 8.973 8.973 8.802 0.171 19766 8179 1 13 . 1 1 61 61 ASP N N 61 117.604 117.604 118.182 -0.578 19766 8180 1 13 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.759 0.107 19766 8181 1 13 . 1 1 61 61 ASP C C 61 176.598 176.598 176.917 -0.319 19766 8182 1 13 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.502 -2.390 19766 8183 1 13 . 1 1 61 61 ASP CB C 61 43.424 43.424 41.934 1.490 19766 8184 1 13 . 1 1 61 61 ASP H H 61 8.017 8.017 8.208 -0.191 19766 8185 1 13 . 1 1 62 62 GLN N N 62 126.427 126.427 126.597 -0.170 19766 8186 1 13 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.127 0.143 19766 8187 1 13 . 1 1 62 62 GLN C C 62 178.514 178.514 177.330 1.184 19766 8188 1 13 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.295 0.210 19766 8189 1 13 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.861 -0.888 19766 8190 1 13 . 1 1 62 62 GLN H H 62 9.007 9.007 8.937 0.070 19766 8191 1 13 . 1 1 63 63 ARG N N 63 121.369 121.369 118.924 2.445 19766 8192 1 13 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.163 -0.443 19766 8193 1 13 . 1 1 63 63 ARG C C 63 178.566 178.566 178.323 0.243 19766 8194 1 13 . 1 1 63 63 ARG CA C 63 59.082 59.082 57.657 1.425 19766 8195 1 13 . 1 1 63 63 ARG H H 63 9.013 9.013 9.057 -0.044 19766 8196 1 13 . 1 1 64 64 SER N N 64 115.216 115.216 114.732 0.484 19766 8197 1 13 . 1 1 64 64 SER HA H 64 3.746 3.746 4.098 -0.352 19766 8198 1 13 . 1 1 64 64 SER C C 64 175.695 175.695 175.525 0.170 19766 8199 1 13 . 1 1 64 64 SER CA C 64 63.651 63.651 60.811 2.840 19766 8200 1 13 . 1 1 64 64 SER H H 64 8.207 8.207 7.866 0.341 19766 8201 1 13 . 1 1 65 65 THR N N 65 111.402 111.402 119.722 -8.320 19766 8202 1 13 . 1 1 65 65 THR HA H 65 3.785 3.785 4.048 -0.263 19766 8203 1 13 . 1 1 65 65 THR C C 65 175.556 175.556 176.076 -0.520 19766 8204 1 13 . 1 1 65 65 THR CA C 65 66.178 66.178 67.507 -1.329 19766 8205 1 13 . 1 1 65 65 THR CB C 65 68.414 68.414 68.863 -0.449 19766 8206 1 13 . 1 1 65 65 THR H H 65 7.640 7.640 7.226 0.414 19766 8207 1 13 . 1 1 66 66 ILE N N 66 122.905 122.905 121.418 1.487 19766 8208 1 13 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.873 -0.171 19766 8209 1 13 . 1 1 66 66 ILE C C 66 177.292 177.292 177.803 -0.511 19766 8210 1 13 . 1 1 66 66 ILE CA C 66 64.254 64.254 64.949 -0.695 19766 8211 1 13 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.768 0.631 19766 8212 1 13 . 1 1 66 66 ILE H H 66 6.702 6.702 7.598 -0.896 19766 8213 1 13 . 1 1 67 67 LEU N N 67 114.425 114.425 119.734 -5.309 19766 8214 1 13 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.668 0.062 19766 8215 1 13 . 1 1 67 67 LEU C C 67 179.641 179.641 178.623 1.018 19766 8216 1 13 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.524 0.063 19766 8217 1 13 . 1 1 67 67 LEU CB C 67 41.682 41.682 40.597 1.085 19766 8218 1 13 . 1 1 67 67 LEU H H 67 6.975 6.975 7.420 -0.445 19766 8219 1 13 . 1 1 68 68 ALA N N 68 120.639 120.639 121.687 -1.048 19766 8220 1 13 . 1 1 68 68 ALA HA H 68 3.435 3.435 4.026 -0.591 19766 8221 1 13 . 1 1 68 68 ALA C C 68 179.087 179.087 179.651 -0.564 19766 8222 1 13 . 1 1 68 68 ALA CA C 68 55.736 55.736 55.020 0.716 19766 8223 1 13 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.755 0.258 19766 8224 1 13 . 1 1 68 68 ALA H H 68 8.225 8.225 7.634 0.591 19766 8225 1 13 . 1 1 69 69 VAL N N 69 118.866 118.866 114.181 4.685 19766 8226 1 13 . 1 1 69 69 VAL HA H 69 3.239 3.239 4.057 -0.818 19766 8227 1 13 . 1 1 69 69 VAL C C 69 178.798 178.798 176.819 1.979 19766 8228 1 13 . 1 1 69 69 VAL CA C 69 67.025 67.025 64.732 2.293 19766 8229 1 13 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.650 0.187 19766 8230 1 13 . 1 1 69 69 VAL H H 69 8.162 8.162 7.552 0.610 19766 8231 1 13 . 1 1 70 70 ASP N N 70 117.230 117.230 118.772 -1.542 19766 8232 1 13 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.632 -0.578 19766 8233 1 13 . 1 1 70 70 ASP C C 70 178.297 178.297 177.184 1.113 19766 8234 1 13 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.146 1.123 19766 8235 1 13 . 1 1 70 70 ASP CB C 70 39.622 39.622 42.596 -2.974 19766 8236 1 13 . 1 1 70 70 ASP H H 70 8.262 8.262 7.697 0.565 19766 8237 1 13 . 1 1 71 71 ASN N N 71 111.214 111.214 117.182 -5.968 19766 8238 1 13 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.749 0.114 19766 8239 1 13 . 1 1 71 71 ASN C C 71 176.614 176.614 176.542 0.072 19766 8240 1 13 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.861 0.740 19766 8241 1 13 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.835 1.765 19766 8242 1 13 . 1 1 71 71 ASN H H 71 7.541 7.541 8.264 -0.723 19766 8243 1 13 . 1 1 72 72 LEU N N 72 116.127 116.127 118.649 -2.522 19766 8244 1 13 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.378 0.271 19766 8245 1 13 . 1 1 72 72 LEU C C 72 177.465 177.465 176.051 1.414 19766 8246 1 13 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.080 -0.729 19766 8247 1 13 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.663 -0.116 19766 8248 1 13 . 1 1 72 72 LEU H H 72 8.323 8.323 7.474 0.849 19766 8249 1 13 . 1 1 73 73 ASN N N 73 118.792 118.792 117.978 0.814 19766 8250 1 13 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.532 -0.121 19766 8251 1 13 . 1 1 73 73 ASN C C 73 177.085 177.085 176.214 0.871 19766 8252 1 13 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.547 2.007 19766 8253 1 13 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.130 1.329 19766 8254 1 13 . 1 1 73 73 ASN H H 73 6.965 6.965 7.688 -0.723 19766 8255 1 13 . 1 1 74 74 GLY N N 74 115.779 115.779 114.406 1.373 19766 8256 1 13 . 1 1 74 74 GLY C C 74 172.848 172.848 173.816 -0.968 19766 8257 1 13 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.912 0.846 19766 8258 1 13 . 1 1 74 74 GLY H H 74 9.389 9.389 8.762 0.627 19766 8259 1 13 . 1 1 75 75 PHE N N 75 123.194 123.194 122.521 0.673 19766 8260 1 13 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.450 -0.163 19766 8261 1 13 . 1 1 75 75 PHE C C 75 174.778 174.778 174.418 0.360 19766 8262 1 13 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.126 0.747 19766 8263 1 13 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.553 1.049 19766 8264 1 13 . 1 1 75 75 PHE H H 75 8.133 8.133 8.146 -0.013 19766 8265 1 13 . 1 1 76 76 LYS N N 76 127.364 127.364 128.084 -0.720 19766 8266 1 13 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.668 0.003 19766 8267 1 13 . 1 1 76 76 LYS C C 76 175.286 175.286 175.549 -0.263 19766 8268 1 13 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.600 0.652 19766 8269 1 13 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.253 0.948 19766 8270 1 13 . 1 1 76 76 LYS H H 76 7.596 7.596 7.764 -0.168 19766 8271 1 13 . 1 1 77 77 ILE N N 77 120.094 120.094 127.633 -7.539 19766 8272 1 13 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.213 0.145 19766 8273 1 13 . 1 1 77 77 ILE C C 77 177.519 177.519 175.739 1.780 19766 8274 1 13 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.920 -0.417 19766 8275 1 13 . 1 1 77 77 ILE CB C 77 40.636 40.636 40.038 0.598 19766 8276 1 13 . 1 1 77 77 ILE H H 77 8.004 8.004 9.091 -1.087 19766 8277 1 13 . 1 1 78 78 GLY N N 78 119.932 119.932 116.644 3.288 19766 8278 1 13 . 1 1 78 78 GLY C C 78 175.944 175.944 175.148 0.796 19766 8279 1 13 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.079 2.140 19766 8280 1 13 . 1 1 78 78 GLY H H 78 10.183 10.183 9.014 1.169 19766 8281 1 13 . 1 1 79 79 GLY N N 79 104.505 104.505 105.037 -0.532 19766 8282 1 13 . 1 1 79 79 GLY C C 79 173.347 173.347 173.807 -0.460 19766 8283 1 13 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.920 0.171 19766 8284 1 13 . 1 1 79 79 GLY H H 79 8.892 8.892 8.463 0.429 19766 8285 1 13 . 1 1 80 80 ARG N N 80 119.144 119.144 117.574 1.570 19766 8286 1 13 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.615 0.051 19766 8287 1 13 . 1 1 80 80 ARG C C 80 174.693 174.693 173.415 1.278 19766 8288 1 13 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.025 0.653 19766 8289 1 13 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.311 1.096 19766 8290 1 13 . 1 1 80 80 ARG H H 80 7.281 7.281 7.406 -0.125 19766 8291 1 13 . 1 1 81 81 ALA N N 81 126.229 126.229 123.597 2.632 19766 8292 1 13 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.209 -1.008 19766 8293 1 13 . 1 1 81 81 ALA C C 81 176.967 176.967 177.296 -0.329 19766 8294 1 13 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.904 0.225 19766 8295 1 13 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.227 -1.027 19766 8296 1 13 . 1 1 81 81 ALA H H 81 8.673 8.673 8.409 0.264 19766 8297 1 13 . 1 1 82 82 LEU N N 82 125.471 125.471 120.390 5.081 19766 8298 1 13 . 1 1 82 82 LEU HA H 82 4.424 4.424 5.056 -0.632 19766 8299 1 13 . 1 1 82 82 LEU C C 82 177.436 177.436 176.123 1.313 19766 8300 1 13 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.027 2.123 19766 8301 1 13 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.272 1.001 19766 8302 1 13 . 1 1 82 82 LEU H H 82 8.702 8.702 8.588 0.114 19766 8303 1 13 . 1 1 83 83 LYS N N 83 123.609 123.609 122.161 1.448 19766 8304 1 13 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.401 -0.396 19766 8305 1 13 . 1 1 83 83 LYS C C 83 174.759 174.759 175.317 -0.558 19766 8306 1 13 . 1 1 83 83 LYS CA C 83 54.785 54.785 53.936 0.849 19766 8307 1 13 . 1 1 83 83 LYS CB C 83 34.446 34.446 35.180 -0.734 19766 8308 1 13 . 1 1 83 83 LYS H H 83 7.853 7.853 8.872 -1.019 19766 8309 1 13 . 1 1 84 84 ILE N N 84 125.547 125.547 127.805 -2.258 19766 8310 1 13 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.467 0.232 19766 8311 1 13 . 1 1 84 84 ILE C C 84 174.989 174.989 175.276 -0.287 19766 8312 1 13 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.317 -1.898 19766 8313 1 13 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.554 -0.187 19766 8314 1 13 . 1 1 84 84 ILE H H 84 8.719 8.719 8.429 0.290 19766 8315 1 13 . 1 1 85 85 ASP N N 85 124.650 124.650 126.463 -1.813 19766 8316 1 13 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.108 -0.104 19766 8317 1 13 . 1 1 85 85 ASP C C 85 175.302 175.302 174.765 0.537 19766 8318 1 13 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.281 0.200 19766 8319 1 13 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.608 0.862 19766 8320 1 13 . 1 1 85 85 ASP H H 85 8.826 8.826 9.098 -0.272 19766 8321 1 13 . 1 1 86 86 HIS N N 86 121.936 121.936 124.038 -2.102 19766 8322 1 13 . 1 1 86 86 HIS HA H 86 4.703 4.703 4.859 -0.156 19766 8323 1 13 . 1 1 86 86 HIS C C 86 175.216 175.216 174.834 0.382 19766 8324 1 13 . 1 1 86 86 HIS CA C 86 57.944 57.944 57.514 0.430 19766 8325 1 13 . 1 1 86 86 HIS CB C 86 31.480 31.480 29.991 1.489 19766 8326 1 13 . 1 1 86 86 HIS H H 86 8.909 8.909 8.611 0.298 19766 8327 1 13 . 1 1 87 87 THR N N 87 116.612 116.612 116.049 0.563 19766 8328 1 13 . 1 1 87 87 THR HA H 87 4.688 4.688 4.520 0.168 19766 8329 1 13 . 1 1 87 87 THR CA C 87 61.030 61.030 60.754 0.276 19766 8330 1 13 . 1 1 87 87 THR CB C 87 69.903 69.903 71.506 -1.603 19766 8331 1 13 . 1 1 87 87 THR H H 87 8.521 8.521 8.931 -0.410 19766 8332 1 13 . 1 1 88 88 PHE N N 88 123.233 123.233 124.704 -1.471 19766 8333 1 13 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.850 0.444 19766 8334 1 13 . 1 1 88 88 PHE C C 88 176.452 176.452 173.851 2.601 19766 8335 1 13 . 1 1 88 88 PHE CA C 88 55.933 55.933 57.277 -1.344 19766 8336 1 13 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.358 0.755 19766 8337 1 13 . 1 1 88 88 PHE H H 88 8.145 8.145 8.392 -0.247 19766 8338 1 13 . 1 1 89 89 TYR N N 89 122.872 122.872 124.990 -2.118 19766 8339 1 13 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.586 -0.512 19766 8340 1 13 . 1 1 89 89 TYR C C 89 173.089 173.089 174.000 -0.911 19766 8341 1 13 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.531 1.998 19766 8342 1 13 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.225 0.583 19766 8343 1 13 . 1 1 89 89 TYR H H 89 8.242 8.242 7.424 0.818 19766 8344 1 13 . 1 1 90 90 ARG N N 90 128.867 128.867 121.622 7.245 19766 8345 1 13 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.064 0.365 19766 8346 1 13 . 1 1 90 90 ARG CA C 90 51.568 51.568 52.768 -1.200 19766 8347 1 13 . 1 1 90 90 ARG CB C 90 30.994 30.994 28.847 2.147 19766 8348 1 13 . 1 1 90 90 ARG H H 90 7.018 7.018 8.466 -1.448 19766 8349 1 13 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.939 0.251 19766 8350 1 13 . 1 1 91 91 PRO C C 91 176.284 176.284 176.592 -0.308 19766 8351 1 13 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.846 -0.357 19766 8352 1 13 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.405 1.642 19766 8353 1 13 . 1 1 92 92 LYS N N 92 119.987 119.987 125.532 -5.545 19766 8354 1 13 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.401 0.281 19766 8355 1 13 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.037 -1.350 19766 8356 1 13 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.030 2.029 19766 8357 1 13 . 1 1 92 92 LYS H H 92 8.672 8.672 8.905 -0.233 19766 8358 1 13 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.140 0.034 19766 8359 1 13 . 1 1 93 93 ARG C C 93 178.848 178.848 177.685 1.163 19766 8360 1 13 . 1 1 93 93 ARG CA C 93 59.192 59.192 59.087 0.104 19766 8361 1 13 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.715 0.081 19766 8362 1 13 . 1 1 94 94 SER N N 94 112.252 112.252 112.344 -0.092 19766 8363 1 13 . 1 1 94 94 SER HA H 94 4.266 4.266 4.274 -0.008 19766 8364 1 13 . 1 1 94 94 SER C C 94 175.827 175.827 174.990 0.837 19766 8365 1 13 . 1 1 94 94 SER CA C 94 60.087 60.087 60.369 -0.282 19766 8366 1 13 . 1 1 94 94 SER CB C 94 62.266 62.266 62.824 -0.558 19766 8367 1 13 . 1 1 94 94 SER H H 94 8.353 8.353 8.501 -0.148 19766 8368 1 13 . 1 1 95 95 LEU N N 95 122.261 122.261 120.799 1.462 19766 8369 1 13 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.505 0.160 19766 8370 1 13 . 1 1 95 95 LEU C C 95 175.444 175.444 176.904 -1.460 19766 8371 1 13 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.156 0.948 19766 8372 1 13 . 1 1 95 95 LEU CB C 95 41.912 41.912 42.064 -0.152 19766 8373 1 13 . 1 1 95 95 LEU H H 95 7.229 7.229 7.232 -0.003 19766 8374 1 13 . 1 1 96 96 GLN N N 96 118.873 118.873 121.354 -2.481 19766 8375 1 13 . 1 1 96 96 GLN HA H 96 4.093 4.093 3.913 0.180 19766 8376 1 13 . 1 1 96 96 GLN C C 96 177.668 177.668 177.500 0.168 19766 8377 1 13 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.147 1.563 19766 8378 1 13 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.019 0.962 19766 8379 1 13 . 1 1 96 96 GLN H H 96 7.390 7.390 7.976 -0.586 19766 8380 1 13 . 1 1 97 97 LYS N N 97 116.416 116.416 118.994 -2.578 19766 8381 1 13 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.068 0.049 19766 8382 1 13 . 1 1 97 97 LYS C C 97 179.237 179.237 179.111 0.126 19766 8383 1 13 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.325 1.068 19766 8384 1 13 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.490 0.026 19766 8385 1 13 . 1 1 97 97 LYS H H 97 8.595 8.595 8.250 0.345 19766 8386 1 13 . 1 1 98 98 TYR N N 98 123.922 123.922 121.971 1.951 19766 8387 1 13 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.149 -0.012 19766 8388 1 13 . 1 1 98 98 TYR C C 98 177.309 177.309 177.587 -0.278 19766 8389 1 13 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.833 0.396 19766 8390 1 13 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.415 -1.125 19766 8391 1 13 . 1 1 98 98 TYR H H 98 7.558 7.558 7.773 -0.215 19766 8392 1 13 . 1 1 99 99 TYR N N 99 118.047 118.047 118.264 -0.217 19766 8393 1 13 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.999 1.109 19766 8394 1 13 . 1 1 99 99 TYR CA C 99 57.898 57.898 59.324 -1.426 19766 8395 1 13 . 1 1 99 99 TYR CB C 99 37.222 37.222 37.634 -0.412 19766 8396 1 13 . 1 1 99 99 TYR H H 99 8.624 8.624 7.464 1.160 19766 8397 1 13 . 1 1 100 100 GLU N N 100 118.804 118.804 118.483 0.321 19766 8398 1 13 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.976 0.090 19766 8399 1 13 . 1 1 100 100 GLU C C 100 178.595 178.595 178.463 0.132 19766 8400 1 13 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.256 0.229 19766 8401 1 13 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.061 0.734 19766 8402 1 13 . 1 1 100 100 GLU H H 100 8.348 8.348 8.513 -0.165 19766 8403 1 13 . 1 1 101 101 ALA N N 101 123.315 123.315 122.236 1.079 19766 8404 1 13 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.111 0.184 19766 8405 1 13 . 1 1 101 101 ALA C C 101 181.438 181.438 179.574 1.864 19766 8406 1 13 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.790 0.068 19766 8407 1 13 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.327 0.350 19766 8408 1 13 . 1 1 101 101 ALA H H 101 7.963 7.963 7.684 0.279 19766 8409 1 13 . 1 1 102 102 VAL N N 102 120.092 120.092 118.408 1.684 19766 8410 1 13 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.602 0.175 19766 8411 1 13 . 1 1 102 102 VAL C C 102 176.958 176.958 178.224 -1.266 19766 8412 1 13 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.827 1.578 19766 8413 1 13 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.182 0.654 19766 8414 1 13 . 1 1 102 102 VAL H H 102 8.321 8.321 7.620 0.701 19766 8415 1 13 . 1 1 103 103 LYS N N 103 120.226 120.226 118.829 1.397 19766 8416 1 13 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.038 -0.112 19766 8417 1 13 . 1 1 103 103 LYS C C 103 178.354 178.354 178.474 -0.120 19766 8418 1 13 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.377 0.306 19766 8419 1 13 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.702 0.474 19766 8420 1 13 . 1 1 103 103 LYS H H 103 8.266 8.266 7.821 0.445 19766 8421 1 13 . 1 1 104 104 GLU N N 104 116.521 116.521 120.304 -3.783 19766 8422 1 13 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.091 -0.130 19766 8423 1 13 . 1 1 104 104 GLU C C 104 178.628 178.628 178.204 0.424 19766 8424 1 13 . 1 1 104 104 GLU CA C 104 59.110 59.110 58.955 0.155 19766 8425 1 13 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.859 0.866 19766 8426 1 13 . 1 1 104 104 GLU H H 104 8.027 8.027 7.980 0.047 19766 8427 1 13 . 1 1 105 105 GLU N N 105 118.569 118.569 117.695 0.874 19766 8428 1 13 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.261 -0.361 19766 8429 1 13 . 1 1 105 105 GLU C C 105 178.399 178.399 179.205 -0.806 19766 8430 1 13 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.749 0.516 19766 8431 1 13 . 1 1 105 105 GLU CB C 105 29.773 29.773 30.131 -0.358 19766 8432 1 13 . 1 1 105 105 GLU H H 105 7.225 7.225 7.781 -0.556 19766 8433 1 13 . 1 1 106 106 LEU N N 106 116.938 116.938 121.382 -4.444 19766 8434 1 13 . 1 1 106 106 LEU HA H 106 4.033 4.033 3.950 0.083 19766 8435 1 13 . 1 1 106 106 LEU C C 106 179.770 179.770 178.795 0.975 19766 8436 1 13 . 1 1 106 106 LEU CA C 106 56.925 56.925 58.062 -1.137 19766 8437 1 13 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.495 -1.210 19766 8438 1 13 . 1 1 106 106 LEU H H 106 8.273 8.273 7.413 0.860 19766 8439 1 13 . 1 1 107 107 ASP N N 107 119.855 119.855 118.831 1.024 19766 8440 1 13 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.319 0.229 19766 8441 1 13 . 1 1 107 107 ASP C C 107 177.891 177.891 178.118 -0.227 19766 8442 1 13 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.597 -1.664 19766 8443 1 13 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.808 -0.094 19766 8444 1 13 . 1 1 107 107 ASP H H 107 8.286 8.286 8.925 -0.639 19766 8445 1 13 . 1 1 108 108 ARG N N 108 118.853 118.853 116.292 2.561 19766 8446 1 13 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.269 -0.188 19766 8447 1 13 . 1 1 108 108 ARG C C 108 177.325 177.325 177.366 -0.041 19766 8448 1 13 . 1 1 108 108 ARG CA C 108 58.009 58.009 56.660 1.349 19766 8449 1 13 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.670 0.734 19766 8450 1 13 . 1 1 108 108 ARG H H 108 7.406 7.406 7.635 -0.229 19766 8451 1 13 . 1 1 109 109 ASP N N 109 119.636 119.636 119.342 0.294 19766 8452 1 13 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.608 -0.073 19766 8453 1 13 . 1 1 109 109 ASP C C 109 176.758 176.758 177.399 -0.641 19766 8454 1 13 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.442 -0.204 19766 8455 1 13 . 1 1 109 109 ASP CB C 109 40.745 40.745 42.410 -1.665 19766 8456 1 13 . 1 1 109 109 ASP H H 109 7.853 7.853 7.792 0.061 19766 8457 1 13 . 1 1 110 110 ILE N N 110 119.905 119.905 119.759 0.146 19766 8458 1 13 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.904 0.200 19766 8459 1 13 . 1 1 110 110 ILE C C 110 176.642 176.642 177.372 -0.730 19766 8460 1 13 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.826 -2.050 19766 8461 1 13 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.699 -0.245 19766 8462 1 13 . 1 1 110 110 ILE H H 110 7.623 7.623 7.870 -0.247 19766 8463 1 13 . 1 1 111 111 VAL N N 111 122.938 122.938 120.187 2.751 19766 8464 1 13 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.903 0.175 19766 8465 1 13 . 1 1 111 111 VAL C C 111 176.668 176.668 174.479 2.189 19766 8466 1 13 . 1 1 111 111 VAL CA C 111 63.037 63.037 63.269 -0.232 19766 8467 1 13 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.313 0.169 19766 8468 1 13 . 1 1 111 111 VAL H H 111 8.043 8.043 7.847 0.196 19766 8469 1 13 . 1 1 112 112 SER N N 112 118.345 118.345 123.227 -4.882 19766 8470 1 13 . 1 1 112 112 SER HA H 112 4.417 4.417 4.668 -0.251 19766 8471 1 13 . 1 1 112 112 SER C C 112 174.925 174.925 173.298 1.627 19766 8472 1 13 . 1 1 112 112 SER CA C 112 58.848 58.848 57.271 1.577 19766 8473 1 13 . 1 1 112 112 SER CB C 112 63.551 63.551 64.728 -1.177 19766 8474 1 13 . 1 1 112 112 SER H H 112 8.210 8.210 8.393 -0.183 19766 8475 1 13 . 1 1 113 113 LYS N N 113 122.729 122.729 122.298 0.431 19766 8476 1 13 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.157 0.161 19766 8477 1 13 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.569 0.027 19766 8478 1 13 . 1 1 113 113 LYS CB C 113 32.846 32.846 32.020 0.826 19766 8479 1 13 . 1 1 113 113 LYS H H 113 8.295 8.295 8.418 -0.123 19766 8480 1 13 . 1 1 114 114 ASN N N 114 119.243 119.243 122.005 -2.762 19766 8481 1 13 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.806 -0.128 19766 8482 1 13 . 1 1 114 114 ASN CA C 114 53.483 53.483 52.743 0.740 19766 8483 1 13 . 1 1 114 114 ASN CB C 114 38.858 38.858 40.693 -1.835 19766 8484 1 13 . 1 1 114 114 ASN H H 114 8.372 8.372 8.189 0.183 19766 8485 1 13 . 1 1 115 115 ASN N N 115 119.155 119.155 120.332 -1.177 19766 8486 1 13 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.597 0.085 19766 8487 1 13 . 1 1 115 115 ASN C C 115 174.877 174.877 175.066 -0.189 19766 8488 1 13 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.867 -0.384 19766 8489 1 13 . 1 1 115 115 ASN CB C 115 38.858 38.858 38.874 -0.016 19766 8490 1 13 . 1 1 115 115 ASN H H 115 8.372 8.372 8.820 -0.448 19766 8491 1 13 . 1 1 116 116 ALA N N 116 123.743 123.743 121.624 2.119 19766 8492 1 13 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.420 -0.091 19766 8493 1 13 . 1 1 116 116 ALA C C 116 177.574 177.574 177.362 0.212 19766 8494 1 13 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.599 1.094 19766 8495 1 13 . 1 1 116 116 ALA CB C 116 19.347 19.347 20.444 -1.097 19766 8496 1 13 . 1 1 116 116 ALA H H 116 8.116 8.116 7.570 0.546 19766 8497 1 13 . 1 1 117 117 GLU N N 117 120.161 120.161 121.670 -1.509 19766 8498 1 13 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.126 0.147 19766 8499 1 13 . 1 1 117 117 GLU C C 117 175.557 175.557 176.583 -1.026 19766 8500 1 13 . 1 1 117 117 GLU CA C 117 56.659 56.659 58.351 -1.692 19766 8501 1 13 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.285 -0.131 19766 8502 1 13 . 1 1 117 117 GLU H H 117 8.220 8.220 9.046 -0.826 19766 8503 1 14 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.832 -0.492 19766 8504 1 14 . 1 1 2 2 ALA C C 2 177.830 177.830 175.520 2.310 19766 8505 1 14 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.338 0.355 19766 8506 1 14 . 1 1 2 2 ALA CB C 2 19.359 19.359 20.237 -0.878 19766 8507 1 14 . 1 1 3 3 MET N N 3 119.580 119.580 120.238 -0.658 19766 8508 1 14 . 1 1 3 3 MET HA H 3 4.482 4.482 5.209 -0.727 19766 8509 1 14 . 1 1 3 3 MET C C 3 176.714 176.714 176.761 -0.047 19766 8510 1 14 . 1 1 3 3 MET CA C 3 55.590 55.590 54.090 1.500 19766 8511 1 14 . 1 1 3 3 MET CB C 3 32.922 32.922 34.704 -1.782 19766 8512 1 14 . 1 1 3 3 MET H H 3 8.451 8.451 8.315 0.136 19766 8513 1 14 . 1 1 4 4 GLY N N 4 109.951 109.951 111.549 -1.598 19766 8514 1 14 . 1 1 4 4 GLY C C 4 174.082 174.082 173.304 0.778 19766 8515 1 14 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.827 0.639 19766 8516 1 14 . 1 1 4 4 GLY H H 4 8.400 8.400 8.844 -0.444 19766 8517 1 14 . 1 1 5 5 ASN N N 5 118.667 118.667 118.419 0.248 19766 8518 1 14 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.671 0.013 19766 8519 1 14 . 1 1 5 5 ASN C C 5 175.489 175.489 175.942 -0.453 19766 8520 1 14 . 1 1 5 5 ASN CA C 5 53.501 53.501 55.306 -1.806 19766 8521 1 14 . 1 1 5 5 ASN CB C 5 38.966 38.966 39.461 -0.495 19766 8522 1 14 . 1 1 5 5 ASN H H 5 8.378 8.378 7.724 0.654 19766 8523 1 14 . 1 1 6 6 GLU N N 6 120.908 120.908 117.751 3.157 19766 8524 1 14 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.164 0.002 19766 8525 1 14 . 1 1 6 6 GLU C C 6 176.336 176.336 176.866 -0.530 19766 8526 1 14 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.115 0.154 19766 8527 1 14 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.483 0.253 19766 8528 1 14 . 1 1 6 6 GLU H H 6 8.620 8.620 8.598 0.022 19766 8529 1 14 . 1 1 7 7 TYR N N 7 120.339 120.339 120.740 -0.401 19766 8530 1 14 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.494 0.006 19766 8531 1 14 . 1 1 7 7 TYR C C 7 175.808 175.808 174.067 1.741 19766 8532 1 14 . 1 1 7 7 TYR CA C 7 58.151 58.151 58.180 -0.029 19766 8533 1 14 . 1 1 7 7 TYR CB C 7 38.194 38.194 36.836 1.358 19766 8534 1 14 . 1 1 7 7 TYR H H 7 8.045 8.045 7.893 0.152 19766 8535 1 14 . 1 1 8 8 LYS N N 8 121.700 121.700 121.783 -0.083 19766 8536 1 14 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.411 -0.261 19766 8537 1 14 . 1 1 8 8 LYS C C 8 175.868 175.868 176.523 -0.655 19766 8538 1 14 . 1 1 8 8 LYS CA C 8 56.562 56.562 55.860 0.702 19766 8539 1 14 . 1 1 8 8 LYS CB C 8 33.158 33.158 33.412 -0.254 19766 8540 1 14 . 1 1 8 8 LYS H H 8 7.829 7.829 7.838 -0.009 19766 8541 1 14 . 1 1 9 9 ASP N N 9 119.811 119.811 119.605 0.206 19766 8542 1 14 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.389 0.249 19766 8543 1 14 . 1 1 9 9 ASP C C 9 175.972 175.972 175.425 0.547 19766 8544 1 14 . 1 1 9 9 ASP CA C 9 54.624 54.624 56.180 -1.556 19766 8545 1 14 . 1 1 9 9 ASP CB C 9 41.539 41.539 41.161 0.378 19766 8546 1 14 . 1 1 9 9 ASP H H 9 8.137 8.137 8.636 -0.499 19766 8547 1 14 . 1 1 10 10 ASN N N 10 119.794 119.794 115.723 4.071 19766 8548 1 14 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.998 -0.026 19766 8549 1 14 . 1 1 10 10 ASN CA C 10 52.845 52.845 51.558 1.287 19766 8550 1 14 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.891 -0.132 19766 8551 1 14 . 1 1 10 10 ASN H H 10 8.292 8.292 8.004 0.288 19766 8552 1 14 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.572 0.031 19766 8553 1 14 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.240 1.008 19766 8554 1 14 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.532 -0.344 19766 8555 1 14 . 1 1 12 12 TYR N N 12 118.889 118.889 117.751 1.138 19766 8556 1 14 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.080 0.064 19766 8557 1 14 . 1 1 12 12 TYR C C 12 177.773 177.773 174.973 2.800 19766 8558 1 14 . 1 1 12 12 TYR CA C 12 57.183 57.183 57.322 -0.139 19766 8559 1 14 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.911 1.671 19766 8560 1 14 . 1 1 12 12 TYR H H 12 8.057 8.057 7.602 0.455 19766 8561 1 14 . 1 1 13 13 ILE N N 13 112.765 112.765 118.741 -5.976 19766 8562 1 14 . 1 1 13 13 ILE HA H 13 5.154 5.154 4.946 0.208 19766 8563 1 14 . 1 1 13 13 ILE C C 13 174.312 174.312 174.662 -0.350 19766 8564 1 14 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.316 0.720 19766 8565 1 14 . 1 1 13 13 ILE CB C 13 39.896 39.896 39.914 -0.018 19766 8566 1 14 . 1 1 13 13 ILE H H 13 9.310 9.310 9.374 -0.064 19766 8567 1 14 . 1 1 14 14 TYR N N 14 124.417 124.417 128.912 -4.495 19766 8568 1 14 . 1 1 14 14 TYR HA H 14 4.707 4.707 5.091 -0.384 19766 8569 1 14 . 1 1 14 14 TYR C C 14 173.058 173.058 173.986 -0.928 19766 8570 1 14 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.208 -0.996 19766 8571 1 14 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.644 0.575 19766 8572 1 14 . 1 1 14 14 TYR H H 14 9.252 9.252 9.036 0.216 19766 8573 1 14 . 1 1 15 15 ILE N N 15 127.660 127.660 128.354 -0.694 19766 8574 1 14 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.687 -0.422 19766 8575 1 14 . 1 1 15 15 ILE C C 15 173.705 173.705 174.809 -1.104 19766 8576 1 14 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.931 -0.445 19766 8577 1 14 . 1 1 15 15 ILE CB C 15 40.002 40.002 37.996 2.006 19766 8578 1 14 . 1 1 15 15 ILE H H 15 8.558 8.558 8.888 -0.330 19766 8579 1 14 . 1 1 16 16 GLY N N 16 112.792 112.792 115.340 -2.548 19766 8580 1 14 . 1 1 16 16 GLY C C 16 173.110 173.110 173.436 -0.326 19766 8581 1 14 . 1 1 16 16 GLY CA C 16 43.249 43.249 44.148 -0.899 19766 8582 1 14 . 1 1 16 16 GLY H H 16 9.516 9.516 8.676 0.840 19766 8583 1 14 . 1 1 17 17 ASN N N 17 115.139 115.139 118.555 -3.416 19766 8584 1 14 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.562 -0.166 19766 8585 1 14 . 1 1 17 17 ASN C C 17 174.854 174.854 173.470 1.384 19766 8586 1 14 . 1 1 17 17 ASN CA C 17 53.236 53.236 52.855 0.381 19766 8587 1 14 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.712 -0.779 19766 8588 1 14 . 1 1 17 17 ASN H H 17 8.511 8.511 7.855 0.656 19766 8589 1 14 . 1 1 18 18 LEU N N 18 114.660 114.660 121.772 -7.112 19766 8590 1 14 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.621 -0.585 19766 8591 1 14 . 1 1 18 18 LEU C C 18 178.161 178.161 175.181 2.980 19766 8592 1 14 . 1 1 18 18 LEU CA C 18 53.884 53.884 53.177 0.707 19766 8593 1 14 . 1 1 18 18 LEU CB C 18 42.562 42.562 45.306 -2.744 19766 8594 1 14 . 1 1 18 18 LEU H H 18 7.839 7.839 7.905 -0.066 19766 8595 1 14 . 1 1 19 19 ASN N N 19 122.707 122.707 118.362 4.345 19766 8596 1 14 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.759 -0.396 19766 8597 1 14 . 1 1 19 19 ASN C C 19 178.037 178.037 176.027 2.010 19766 8598 1 14 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.182 2.422 19766 8599 1 14 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.565 -0.753 19766 8600 1 14 . 1 1 19 19 ASN H H 19 8.779 8.779 8.562 0.217 19766 8601 1 14 . 1 1 20 20 ARG N N 20 128.724 128.724 116.753 11.971 19766 8602 1 14 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.325 -0.472 19766 8603 1 14 . 1 1 20 20 ARG C C 20 175.612 175.612 177.459 -1.847 19766 8604 1 14 . 1 1 20 20 ARG CA C 20 58.774 58.774 57.508 1.266 19766 8605 1 14 . 1 1 20 20 ARG CB C 20 29.684 29.684 29.513 0.171 19766 8606 1 14 . 1 1 20 20 ARG H H 20 8.954 8.954 8.722 0.232 19766 8607 1 14 . 1 1 21 21 GLU N N 21 117.609 117.609 118.444 -0.835 19766 8608 1 14 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.238 0.035 19766 8609 1 14 . 1 1 21 21 GLU C C 21 177.285 177.285 177.248 0.037 19766 8610 1 14 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.417 0.365 19766 8611 1 14 . 1 1 21 21 GLU CB C 21 30.498 30.498 29.767 0.730 19766 8612 1 14 . 1 1 21 21 GLU H H 21 9.092 9.092 7.943 1.149 19766 8613 1 14 . 1 1 22 22 LEU N N 22 116.169 116.169 122.725 -6.556 19766 8614 1 14 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.272 0.284 19766 8615 1 14 . 1 1 22 22 LEU C C 22 178.328 178.328 176.526 1.802 19766 8616 1 14 . 1 1 22 22 LEU CA C 22 55.656 55.656 55.252 0.404 19766 8617 1 14 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.321 0.905 19766 8618 1 14 . 1 1 22 22 LEU H H 22 7.208 7.208 7.599 -0.391 19766 8619 1 14 . 1 1 23 23 THR N N 23 113.733 113.733 116.824 -3.091 19766 8620 1 14 . 1 1 23 23 THR HA H 23 4.349 4.349 4.697 -0.348 19766 8621 1 14 . 1 1 23 23 THR C C 23 175.225 175.225 175.392 -0.167 19766 8622 1 14 . 1 1 23 23 THR CA C 23 59.960 59.960 59.154 0.806 19766 8623 1 14 . 1 1 23 23 THR CB C 23 72.172 72.172 71.350 0.822 19766 8624 1 14 . 1 1 23 23 THR H H 23 8.732 8.732 7.960 0.772 19766 8625 1 14 . 1 1 24 24 GLU N N 24 119.838 119.838 122.976 -3.138 19766 8626 1 14 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.888 -0.231 19766 8627 1 14 . 1 1 24 24 GLU C C 24 178.983 178.983 178.809 0.174 19766 8628 1 14 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.412 3.159 19766 8629 1 14 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.433 -2.087 19766 8630 1 14 . 1 1 24 24 GLU H H 24 9.761 9.761 9.052 0.709 19766 8631 1 14 . 1 1 25 25 GLY N N 25 104.462 104.462 106.114 -1.652 19766 8632 1 14 . 1 1 25 25 GLY C C 25 175.139 175.139 175.849 -0.710 19766 8633 1 14 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.770 0.835 19766 8634 1 14 . 1 1 25 25 GLY H H 25 8.486 8.486 8.326 0.160 19766 8635 1 14 . 1 1 26 26 ASP N N 26 123.296 123.296 122.248 1.048 19766 8636 1 14 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.612 -0.042 19766 8637 1 14 . 1 1 26 26 ASP C C 26 178.135 178.135 178.443 -0.308 19766 8638 1 14 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.154 1.658 19766 8639 1 14 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.117 0.768 19766 8640 1 14 . 1 1 26 26 ASP H H 26 7.960 7.960 7.786 0.174 19766 8641 1 14 . 1 1 27 27 ILE N N 27 118.853 118.853 121.083 -2.230 19766 8642 1 14 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.729 -0.122 19766 8643 1 14 . 1 1 27 27 ILE C C 27 178.424 178.424 177.872 0.552 19766 8644 1 14 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.370 0.371 19766 8645 1 14 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.826 -0.114 19766 8646 1 14 . 1 1 27 27 ILE H H 27 8.159 8.159 7.941 0.218 19766 8647 1 14 . 1 1 28 28 LEU N N 28 118.549 118.549 120.276 -1.727 19766 8648 1 14 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.944 -0.040 19766 8649 1 14 . 1 1 28 28 LEU C C 28 180.057 180.057 179.044 1.013 19766 8650 1 14 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.310 0.221 19766 8651 1 14 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.298 0.647 19766 8652 1 14 . 1 1 28 28 LEU H H 28 8.414 8.414 8.290 0.124 19766 8653 1 14 . 1 1 29 29 THR N N 29 122.156 122.156 115.424 6.732 19766 8654 1 14 . 1 1 29 29 THR HA H 29 4.032 4.032 3.964 0.068 19766 8655 1 14 . 1 1 29 29 THR C C 29 175.113 175.113 175.953 -0.840 19766 8656 1 14 . 1 1 29 29 THR CA C 29 66.754 66.754 66.354 0.400 19766 8657 1 14 . 1 1 29 29 THR CB C 29 68.490 68.490 68.622 -0.132 19766 8658 1 14 . 1 1 29 29 THR H H 29 8.715 8.715 7.726 0.989 19766 8659 1 14 . 1 1 30 30 VAL N N 30 116.487 116.487 120.263 -3.776 19766 8660 1 14 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.750 0.081 19766 8661 1 14 . 1 1 30 30 VAL C C 30 179.968 179.968 177.594 2.374 19766 8662 1 14 . 1 1 30 30 VAL CA C 30 65.515 65.515 66.221 -0.706 19766 8663 1 14 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.920 1.124 19766 8664 1 14 . 1 1 30 30 VAL H H 30 7.713 7.713 7.658 0.055 19766 8665 1 14 . 1 1 31 31 PHE N N 31 113.658 113.658 118.975 -5.317 19766 8666 1 14 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.634 -0.767 19766 8667 1 14 . 1 1 31 31 PHE C C 31 179.577 179.577 178.594 0.983 19766 8668 1 14 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.115 2.288 19766 8669 1 14 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.578 -1.264 19766 8670 1 14 . 1 1 31 31 PHE H H 31 8.876 8.876 9.088 -0.212 19766 8671 1 14 . 1 1 32 32 SER N N 32 118.635 118.635 116.547 2.088 19766 8672 1 14 . 1 1 32 32 SER HA H 32 5.381 5.381 4.591 0.790 19766 8673 1 14 . 1 1 32 32 SER C C 32 172.662 172.662 176.708 -4.046 19766 8674 1 14 . 1 1 32 32 SER CA C 32 61.338 61.338 59.416 1.922 19766 8675 1 14 . 1 1 32 32 SER CB C 32 63.875 63.875 62.465 1.410 19766 8676 1 14 . 1 1 32 32 SER H H 32 8.106 8.106 8.627 -0.521 19766 8677 1 14 . 1 1 33 33 GLU N N 33 121.234 121.234 122.272 -1.038 19766 8678 1 14 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.925 -1.768 19766 8679 1 14 . 1 1 33 33 GLU C C 33 174.223 174.223 177.108 -2.885 19766 8680 1 14 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.357 1.283 19766 8681 1 14 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.335 -1.504 19766 8682 1 14 . 1 1 33 33 GLU H H 33 6.964 6.964 7.502 -0.538 19766 8683 1 14 . 1 1 34 34 TYR N N 34 107.930 107.930 117.571 -9.641 19766 8684 1 14 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.748 -0.595 19766 8685 1 14 . 1 1 34 34 TYR C C 34 173.208 173.208 174.869 -1.661 19766 8686 1 14 . 1 1 34 34 TYR CA C 34 57.329 57.329 56.194 1.135 19766 8687 1 14 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.654 0.224 19766 8688 1 14 . 1 1 34 34 TYR H H 34 6.229 6.229 7.577 -1.348 19766 8689 1 14 . 1 1 35 35 GLY N N 35 103.542 103.542 105.599 -2.057 19766 8690 1 14 . 1 1 35 35 GLY C C 35 170.379 170.379 172.198 -1.819 19766 8691 1 14 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.848 -0.169 19766 8692 1 14 . 1 1 35 35 GLY H H 35 7.257 7.257 7.639 -0.382 19766 8693 1 14 . 1 1 36 36 VAL N N 36 120.446 120.446 120.436 0.010 19766 8694 1 14 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.386 0.118 19766 8695 1 14 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.552 0.163 19766 8696 1 14 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.583 0.448 19766 8697 1 14 . 1 1 36 36 VAL H H 36 8.438 8.438 8.555 -0.117 19766 8698 1 14 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.324 0.379 19766 8699 1 14 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.842 -0.468 19766 8700 1 14 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.698 0.373 19766 8701 1 14 . 1 1 38 38 VAL N N 38 113.929 113.929 117.230 -3.301 19766 8702 1 14 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.196 0.286 19766 8703 1 14 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.344 -1.890 19766 8704 1 14 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.623 -0.119 19766 8705 1 14 . 1 1 38 38 VAL H H 38 8.966 8.966 8.101 0.865 19766 8706 1 14 . 1 1 39 39 ASP N N 39 118.213 118.213 119.557 -1.344 19766 8707 1 14 . 1 1 39 39 ASP HA H 39 4.675 4.675 5.092 -0.417 19766 8708 1 14 . 1 1 39 39 ASP C C 39 174.637 174.637 173.899 0.738 19766 8709 1 14 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.811 0.877 19766 8710 1 14 . 1 1 39 39 ASP CB C 39 43.807 43.807 45.374 -1.567 19766 8711 1 14 . 1 1 39 39 ASP H H 39 7.500 7.500 7.961 -0.461 19766 8712 1 14 . 1 1 40 40 VAL N N 40 121.576 121.576 123.037 -1.461 19766 8713 1 14 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.985 0.006 19766 8714 1 14 . 1 1 40 40 VAL C C 40 170.562 170.562 173.852 -3.290 19766 8715 1 14 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.033 0.325 19766 8716 1 14 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.461 -0.242 19766 8717 1 14 . 1 1 40 40 VAL H H 40 7.657 7.657 8.540 -0.883 19766 8718 1 14 . 1 1 41 41 ILE N N 41 125.384 125.384 124.756 0.628 19766 8719 1 14 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.781 0.037 19766 8720 1 14 . 1 1 41 41 ILE C C 41 175.425 175.425 173.410 2.015 19766 8721 1 14 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.038 2.452 19766 8722 1 14 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.890 1.666 19766 8723 1 14 . 1 1 41 41 ILE H H 41 8.901 8.901 9.160 -0.259 19766 8724 1 14 . 1 1 42 42 LEU N N 42 128.888 128.888 126.726 2.162 19766 8725 1 14 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.501 -0.040 19766 8726 1 14 . 1 1 42 42 LEU C C 42 174.934 174.934 175.646 -0.712 19766 8727 1 14 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.599 -0.222 19766 8728 1 14 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.618 -0.079 19766 8729 1 14 . 1 1 42 42 LEU H H 42 8.344 8.344 8.638 -0.294 19766 8730 1 14 . 1 1 43 43 SER N N 43 122.818 122.818 120.882 1.936 19766 8731 1 14 . 1 1 43 43 SER HA H 43 3.876 3.876 4.483 -0.607 19766 8732 1 14 . 1 1 43 43 SER C C 43 173.869 173.869 173.218 0.651 19766 8733 1 14 . 1 1 43 43 SER CA C 43 59.688 59.688 57.806 1.882 19766 8734 1 14 . 1 1 43 43 SER CB C 43 62.673 62.673 62.695 -0.022 19766 8735 1 14 . 1 1 43 43 SER H H 43 8.362 8.362 8.604 -0.242 19766 8736 1 14 . 1 1 44 44 ARG N N 44 128.045 128.045 125.375 2.670 19766 8737 1 14 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.008 -0.179 19766 8738 1 14 . 1 1 44 44 ARG C C 44 175.031 175.031 174.924 0.107 19766 8739 1 14 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.591 0.471 19766 8740 1 14 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.206 1.092 19766 8741 1 14 . 1 1 44 44 ARG H H 44 8.079 8.079 7.574 0.505 19766 8742 1 14 . 1 1 45 45 ASP N N 45 123.491 123.491 120.597 2.894 19766 8743 1 14 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.470 -0.233 19766 8744 1 14 . 1 1 45 45 ASP C C 45 177.487 177.487 176.857 0.630 19766 8745 1 14 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.669 0.248 19766 8746 1 14 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.899 0.712 19766 8747 1 14 . 1 1 45 45 ASP H H 45 8.663 8.663 8.517 0.146 19766 8748 1 14 . 1 1 46 46 GLU N N 46 125.446 125.446 124.832 0.614 19766 8749 1 14 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.042 -0.135 19766 8750 1 14 . 1 1 46 46 GLU C C 46 175.655 175.655 176.940 -1.285 19766 8751 1 14 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.282 0.591 19766 8752 1 14 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.906 -0.252 19766 8753 1 14 . 1 1 46 46 GLU H H 46 9.007 9.007 8.678 0.329 19766 8754 1 14 . 1 1 47 47 ASN N N 47 115.343 115.343 116.788 -1.445 19766 8755 1 14 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.711 0.173 19766 8756 1 14 . 1 1 47 47 ASN C C 47 176.665 176.665 177.037 -0.372 19766 8757 1 14 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.947 -0.008 19766 8758 1 14 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.992 0.238 19766 8759 1 14 . 1 1 47 47 ASN H H 47 8.947 8.947 8.665 0.282 19766 8760 1 14 . 1 1 48 48 THR N N 48 107.604 107.604 113.117 -5.513 19766 8761 1 14 . 1 1 48 48 THR HA H 48 4.468 4.468 4.467 0.001 19766 8762 1 14 . 1 1 48 48 THR C C 48 176.465 176.465 175.572 0.893 19766 8763 1 14 . 1 1 48 48 THR CA C 48 61.555 61.555 62.609 -1.054 19766 8764 1 14 . 1 1 48 48 THR CB C 48 71.342 71.342 70.145 1.197 19766 8765 1 14 . 1 1 48 48 THR H H 48 8.450 8.450 8.891 -0.441 19766 8766 1 14 . 1 1 49 49 GLY N N 49 111.809 111.809 109.436 2.373 19766 8767 1 14 . 1 1 49 49 GLY C C 49 173.193 173.193 173.423 -0.230 19766 8768 1 14 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.498 0.225 19766 8769 1 14 . 1 1 49 49 GLY H H 49 8.632 8.632 7.768 0.864 19766 8770 1 14 . 1 1 50 50 GLU N N 50 120.089 120.089 118.932 1.157 19766 8771 1 14 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.285 -0.152 19766 8772 1 14 . 1 1 50 50 GLU C C 50 176.586 176.586 176.364 0.222 19766 8773 1 14 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.877 1.655 19766 8774 1 14 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.098 0.986 19766 8775 1 14 . 1 1 50 50 GLU H H 50 7.825 7.825 8.137 -0.312 19766 8776 1 14 . 1 1 51 51 SER N N 51 115.686 115.686 119.874 -4.188 19766 8777 1 14 . 1 1 51 51 SER HA H 51 4.273 4.273 4.237 0.036 19766 8778 1 14 . 1 1 51 51 SER C C 51 176.516 176.516 175.288 1.228 19766 8779 1 14 . 1 1 51 51 SER CA C 51 58.415 58.415 59.306 -0.891 19766 8780 1 14 . 1 1 51 51 SER CB C 51 64.668 64.668 63.124 1.544 19766 8781 1 14 . 1 1 51 51 SER H H 51 8.871 8.871 9.001 -0.130 19766 8782 1 14 . 1 1 52 52 GLN N N 52 123.284 123.284 124.901 -1.617 19766 8783 1 14 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.279 0.212 19766 8784 1 14 . 1 1 52 52 GLN C C 52 177.471 177.471 176.926 0.545 19766 8785 1 14 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.345 -1.198 19766 8786 1 14 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.297 0.584 19766 8787 1 14 . 1 1 52 52 GLN H H 52 9.103 9.103 8.499 0.604 19766 8788 1 14 . 1 1 53 53 GLY N N 53 105.865 105.865 105.332 0.533 19766 8789 1 14 . 1 1 53 53 GLY C C 53 172.010 172.010 173.031 -1.021 19766 8790 1 14 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.717 1.928 19766 8791 1 14 . 1 1 53 53 GLY H H 53 8.888 8.888 8.081 0.807 19766 8792 1 14 . 1 1 54 54 PHE N N 54 112.097 112.097 119.914 -7.817 19766 8793 1 14 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.484 -0.138 19766 8794 1 14 . 1 1 54 54 PHE C C 54 171.548 171.548 173.534 -1.986 19766 8795 1 14 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.589 0.082 19766 8796 1 14 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.246 -1.566 19766 8797 1 14 . 1 1 54 54 PHE H H 54 6.879 6.879 7.081 -0.202 19766 8798 1 14 . 1 1 55 55 ALA N N 55 122.332 122.332 122.434 -0.102 19766 8799 1 14 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.717 0.406 19766 8800 1 14 . 1 1 55 55 ALA C C 55 173.074 173.074 174.405 -1.331 19766 8801 1 14 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.828 -1.299 19766 8802 1 14 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.658 3.081 19766 8803 1 14 . 1 1 55 55 ALA H H 55 9.051 9.051 8.759 0.292 19766 8804 1 14 . 1 1 56 56 TYR N N 56 115.022 115.022 117.163 -2.141 19766 8805 1 14 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.857 -0.183 19766 8806 1 14 . 1 1 56 56 TYR C C 56 175.292 175.292 174.405 0.887 19766 8807 1 14 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.230 -0.649 19766 8808 1 14 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.148 0.199 19766 8809 1 14 . 1 1 56 56 TYR H H 56 9.007 9.007 9.032 -0.025 19766 8810 1 14 . 1 1 57 57 LEU N N 57 122.695 122.695 121.952 0.743 19766 8811 1 14 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.214 -0.455 19766 8812 1 14 . 1 1 57 57 LEU C C 57 172.173 172.173 174.225 -2.052 19766 8813 1 14 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.824 0.992 19766 8814 1 14 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.426 0.480 19766 8815 1 14 . 1 1 57 57 LEU H H 57 8.648 8.648 9.072 -0.424 19766 8816 1 14 . 1 1 58 58 LYS N N 58 125.954 125.954 121.302 4.652 19766 8817 1 14 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.737 -0.272 19766 8818 1 14 . 1 1 58 58 LYS C C 58 174.900 174.900 174.517 0.383 19766 8819 1 14 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.557 -0.934 19766 8820 1 14 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.996 0.550 19766 8821 1 14 . 1 1 58 58 LYS H H 58 7.948 7.948 8.816 -0.868 19766 8822 1 14 . 1 1 59 59 TYR N N 59 126.396 126.396 125.285 1.111 19766 8823 1 14 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.426 0.674 19766 8824 1 14 . 1 1 59 59 TYR CA C 59 57.974 57.974 59.066 -1.092 19766 8825 1 14 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.524 2.974 19766 8826 1 14 . 1 1 59 59 TYR H H 59 9.007 9.007 8.835 0.172 19766 8827 1 14 . 1 1 60 60 GLU N N 60 120.848 120.848 119.763 1.085 19766 8828 1 14 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.051 -0.178 19766 8829 1 14 . 1 1 60 60 GLU C C 60 175.081 175.081 176.496 -1.415 19766 8830 1 14 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.979 0.074 19766 8831 1 14 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.280 0.587 19766 8832 1 14 . 1 1 60 60 GLU H H 60 8.973 8.973 8.749 0.224 19766 8833 1 14 . 1 1 61 61 ASP N N 61 117.604 117.604 114.175 3.429 19766 8834 1 14 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.866 -0.000 19766 8835 1 14 . 1 1 61 61 ASP C C 61 176.598 176.598 175.365 1.233 19766 8836 1 14 . 1 1 61 61 ASP CA C 61 51.112 51.112 52.834 -1.722 19766 8837 1 14 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.098 1.326 19766 8838 1 14 . 1 1 61 61 ASP H H 61 8.017 8.017 7.726 0.291 19766 8839 1 14 . 1 1 62 62 GLN N N 62 126.427 126.427 118.547 7.880 19766 8840 1 14 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.371 -0.101 19766 8841 1 14 . 1 1 62 62 GLN C C 62 178.514 178.514 177.836 0.678 19766 8842 1 14 . 1 1 62 62 GLN CA C 62 58.505 58.505 57.997 0.508 19766 8843 1 14 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.229 -1.256 19766 8844 1 14 . 1 1 62 62 GLN H H 62 9.007 9.007 8.634 0.373 19766 8845 1 14 . 1 1 63 63 ARG N N 63 121.369 121.369 119.152 2.217 19766 8846 1 14 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.023 -0.303 19766 8847 1 14 . 1 1 63 63 ARG C C 63 178.566 178.566 178.128 0.438 19766 8848 1 14 . 1 1 63 63 ARG CA C 63 59.082 59.082 60.085 -1.003 19766 8849 1 14 . 1 1 63 63 ARG H H 63 9.013 9.013 8.897 0.116 19766 8850 1 14 . 1 1 64 64 SER N N 64 115.216 115.216 113.811 1.405 19766 8851 1 14 . 1 1 64 64 SER HA H 64 3.746 3.746 4.158 -0.412 19766 8852 1 14 . 1 1 64 64 SER C C 64 175.695 175.695 175.728 -0.033 19766 8853 1 14 . 1 1 64 64 SER CA C 64 63.651 63.651 61.274 2.377 19766 8854 1 14 . 1 1 64 64 SER H H 64 8.207 8.207 8.290 -0.083 19766 8855 1 14 . 1 1 65 65 THR N N 65 111.402 111.402 120.346 -8.944 19766 8856 1 14 . 1 1 65 65 THR HA H 65 3.785 3.785 3.924 -0.139 19766 8857 1 14 . 1 1 65 65 THR C C 65 175.556 175.556 176.446 -0.890 19766 8858 1 14 . 1 1 65 65 THR CA C 65 66.178 66.178 66.729 -0.551 19766 8859 1 14 . 1 1 65 65 THR CB C 65 68.414 68.414 68.715 -0.301 19766 8860 1 14 . 1 1 65 65 THR H H 65 7.640 7.640 7.137 0.503 19766 8861 1 14 . 1 1 66 66 ILE N N 66 122.905 122.905 121.829 1.076 19766 8862 1 14 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.963 -0.261 19766 8863 1 14 . 1 1 66 66 ILE C C 66 177.292 177.292 177.834 -0.542 19766 8864 1 14 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.236 -0.982 19766 8865 1 14 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.778 0.621 19766 8866 1 14 . 1 1 66 66 ILE H H 66 6.702 6.702 7.968 -1.266 19766 8867 1 14 . 1 1 67 67 LEU N N 67 114.425 114.425 119.724 -5.299 19766 8868 1 14 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.665 0.065 19766 8869 1 14 . 1 1 67 67 LEU C C 67 179.641 179.641 178.492 1.149 19766 8870 1 14 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.630 -0.043 19766 8871 1 14 . 1 1 67 67 LEU CB C 67 41.682 41.682 40.757 0.925 19766 8872 1 14 . 1 1 67 67 LEU H H 67 6.975 6.975 7.510 -0.535 19766 8873 1 14 . 1 1 68 68 ALA N N 68 120.639 120.639 122.028 -1.389 19766 8874 1 14 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.843 -0.408 19766 8875 1 14 . 1 1 68 68 ALA C C 68 179.087 179.087 179.456 -0.369 19766 8876 1 14 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.960 0.776 19766 8877 1 14 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.428 0.585 19766 8878 1 14 . 1 1 68 68 ALA H H 68 8.225 8.225 7.400 0.825 19766 8879 1 14 . 1 1 69 69 VAL N N 69 118.866 118.866 118.375 0.491 19766 8880 1 14 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.632 -0.393 19766 8881 1 14 . 1 1 69 69 VAL C C 69 178.798 178.798 177.509 1.289 19766 8882 1 14 . 1 1 69 69 VAL CA C 69 67.025 67.025 65.976 1.049 19766 8883 1 14 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.985 -0.148 19766 8884 1 14 . 1 1 69 69 VAL H H 69 8.162 8.162 7.625 0.537 19766 8885 1 14 . 1 1 70 70 ASP N N 70 117.230 117.230 118.189 -0.959 19766 8886 1 14 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.724 -0.670 19766 8887 1 14 . 1 1 70 70 ASP C C 70 178.297 178.297 178.229 0.068 19766 8888 1 14 . 1 1 70 70 ASP CA C 70 57.269 57.269 57.321 -0.052 19766 8889 1 14 . 1 1 70 70 ASP CB C 70 39.622 39.622 40.747 -1.125 19766 8890 1 14 . 1 1 70 70 ASP H H 70 8.262 8.262 8.291 -0.029 19766 8891 1 14 . 1 1 71 71 ASN N N 71 111.214 111.214 116.364 -5.150 19766 8892 1 14 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.698 0.165 19766 8893 1 14 . 1 1 71 71 ASN C C 71 176.614 176.614 176.890 -0.276 19766 8894 1 14 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.907 0.694 19766 8895 1 14 . 1 1 71 71 ASN CB C 71 41.600 41.600 40.080 1.520 19766 8896 1 14 . 1 1 71 71 ASN H H 71 7.541 7.541 7.816 -0.275 19766 8897 1 14 . 1 1 72 72 LEU N N 72 116.127 116.127 118.590 -2.463 19766 8898 1 14 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.283 0.366 19766 8899 1 14 . 1 1 72 72 LEU C C 72 177.465 177.465 176.372 1.093 19766 8900 1 14 . 1 1 72 72 LEU CA C 72 54.351 54.351 56.015 -1.664 19766 8901 1 14 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.088 0.460 19766 8902 1 14 . 1 1 72 72 LEU H H 72 8.323 8.323 8.250 0.073 19766 8903 1 14 . 1 1 73 73 ASN N N 73 118.792 118.792 117.523 1.269 19766 8904 1 14 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.646 -0.235 19766 8905 1 14 . 1 1 73 73 ASN C C 73 177.085 177.085 176.493 0.592 19766 8906 1 14 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.940 1.614 19766 8907 1 14 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.686 0.772 19766 8908 1 14 . 1 1 73 73 ASN H H 73 6.965 6.965 7.528 -0.563 19766 8909 1 14 . 1 1 74 74 GLY N N 74 115.779 115.779 114.560 1.219 19766 8910 1 14 . 1 1 74 74 GLY C C 74 172.848 172.848 173.884 -1.036 19766 8911 1 14 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.812 0.946 19766 8912 1 14 . 1 1 74 74 GLY H H 74 9.389 9.389 8.737 0.652 19766 8913 1 14 . 1 1 75 75 PHE N N 75 123.194 123.194 123.247 -0.053 19766 8914 1 14 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.430 -0.143 19766 8915 1 14 . 1 1 75 75 PHE C C 75 174.778 174.778 174.416 0.362 19766 8916 1 14 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.203 0.670 19766 8917 1 14 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.494 1.108 19766 8918 1 14 . 1 1 75 75 PHE H H 75 8.133 8.133 8.120 0.013 19766 8919 1 14 . 1 1 76 76 LYS N N 76 127.364 127.364 128.236 -0.872 19766 8920 1 14 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.481 0.190 19766 8921 1 14 . 1 1 76 76 LYS C C 76 175.286 175.286 175.702 -0.416 19766 8922 1 14 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.998 0.254 19766 8923 1 14 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.074 1.127 19766 8924 1 14 . 1 1 76 76 LYS H H 76 7.596 7.596 7.902 -0.306 19766 8925 1 14 . 1 1 77 77 ILE N N 77 120.094 120.094 128.205 -8.111 19766 8926 1 14 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.298 0.060 19766 8927 1 14 . 1 1 77 77 ILE C C 77 177.519 177.519 175.817 1.702 19766 8928 1 14 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.050 -0.547 19766 8929 1 14 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.431 1.205 19766 8930 1 14 . 1 1 77 77 ILE H H 77 8.004 8.004 9.023 -1.019 19766 8931 1 14 . 1 1 78 78 GLY N N 78 119.932 119.932 116.453 3.479 19766 8932 1 14 . 1 1 78 78 GLY C C 78 175.944 175.944 175.264 0.680 19766 8933 1 14 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.016 2.203 19766 8934 1 14 . 1 1 78 78 GLY H H 78 10.183 10.183 9.039 1.144 19766 8935 1 14 . 1 1 79 79 GLY N N 79 104.505 104.505 104.744 -0.239 19766 8936 1 14 . 1 1 79 79 GLY C C 79 173.347 173.347 173.770 -0.423 19766 8937 1 14 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.864 0.228 19766 8938 1 14 . 1 1 79 79 GLY H H 79 8.892 8.892 8.465 0.427 19766 8939 1 14 . 1 1 80 80 ARG N N 80 119.144 119.144 119.052 0.092 19766 8940 1 14 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.678 -0.012 19766 8941 1 14 . 1 1 80 80 ARG C C 80 174.693 174.693 174.020 0.673 19766 8942 1 14 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.199 0.479 19766 8943 1 14 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.700 0.707 19766 8944 1 14 . 1 1 80 80 ARG H H 80 7.281 7.281 7.392 -0.111 19766 8945 1 14 . 1 1 81 81 ALA N N 81 126.229 126.229 124.941 1.288 19766 8946 1 14 . 1 1 81 81 ALA HA H 81 4.201 4.201 4.995 -0.794 19766 8947 1 14 . 1 1 81 81 ALA C C 81 176.967 176.967 177.902 -0.935 19766 8948 1 14 . 1 1 81 81 ALA CA C 81 51.129 51.129 51.057 0.072 19766 8949 1 14 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.630 -0.430 19766 8950 1 14 . 1 1 81 81 ALA H H 81 8.673 8.673 8.399 0.274 19766 8951 1 14 . 1 1 82 82 LEU N N 82 125.471 125.471 121.509 3.962 19766 8952 1 14 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.622 -0.198 19766 8953 1 14 . 1 1 82 82 LEU C C 82 177.436 177.436 176.113 1.323 19766 8954 1 14 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.772 1.378 19766 8955 1 14 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.315 0.959 19766 8956 1 14 . 1 1 82 82 LEU H H 82 8.702 8.702 8.205 0.497 19766 8957 1 14 . 1 1 83 83 LYS N N 83 123.609 123.609 123.963 -0.354 19766 8958 1 14 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.311 -0.306 19766 8959 1 14 . 1 1 83 83 LYS C C 83 174.759 174.759 175.212 -0.453 19766 8960 1 14 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.443 0.342 19766 8961 1 14 . 1 1 83 83 LYS CB C 83 34.446 34.446 33.718 0.728 19766 8962 1 14 . 1 1 83 83 LYS H H 83 7.853 7.853 8.285 -0.432 19766 8963 1 14 . 1 1 84 84 ILE N N 84 125.547 125.547 128.074 -2.527 19766 8964 1 14 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.626 0.073 19766 8965 1 14 . 1 1 84 84 ILE C C 84 174.989 174.989 175.795 -0.806 19766 8966 1 14 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.859 -1.440 19766 8967 1 14 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.280 -0.913 19766 8968 1 14 . 1 1 84 84 ILE H H 84 8.719 8.719 9.073 -0.354 19766 8969 1 14 . 1 1 85 85 ASP N N 85 124.650 124.650 123.082 1.568 19766 8970 1 14 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.991 0.013 19766 8971 1 14 . 1 1 85 85 ASP C C 85 175.302 175.302 174.302 1.000 19766 8972 1 14 . 1 1 85 85 ASP CA C 85 52.481 52.481 51.959 0.522 19766 8973 1 14 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.027 1.442 19766 8974 1 14 . 1 1 85 85 ASP H H 85 8.826 8.826 8.842 -0.016 19766 8975 1 14 . 1 1 86 86 HIS N N 86 121.936 121.936 118.365 3.571 19766 8976 1 14 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.529 -0.826 19766 8977 1 14 . 1 1 86 86 HIS C C 86 175.216 175.216 174.806 0.410 19766 8978 1 14 . 1 1 86 86 HIS CA C 86 57.944 57.944 55.897 2.047 19766 8979 1 14 . 1 1 86 86 HIS CB C 86 31.480 31.480 32.159 -0.679 19766 8980 1 14 . 1 1 86 86 HIS H H 86 8.909 8.909 8.492 0.417 19766 8981 1 14 . 1 1 87 87 THR N N 87 116.612 116.612 117.514 -0.902 19766 8982 1 14 . 1 1 87 87 THR HA H 87 4.688 4.688 4.650 0.038 19766 8983 1 14 . 1 1 87 87 THR CA C 87 61.030 61.030 61.214 -0.184 19766 8984 1 14 . 1 1 87 87 THR CB C 87 69.903 69.903 70.937 -1.034 19766 8985 1 14 . 1 1 87 87 THR H H 87 8.521 8.521 9.290 -0.769 19766 8986 1 14 . 1 1 88 88 PHE N N 88 123.233 123.233 124.255 -1.022 19766 8987 1 14 . 1 1 88 88 PHE HA H 88 5.294 5.294 5.067 0.227 19766 8988 1 14 . 1 1 88 88 PHE C C 88 176.452 176.452 174.018 2.434 19766 8989 1 14 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.680 -0.747 19766 8990 1 14 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.388 -0.275 19766 8991 1 14 . 1 1 88 88 PHE H H 88 8.145 8.145 8.358 -0.213 19766 8992 1 14 . 1 1 89 89 TYR N N 89 122.872 122.872 123.764 -0.892 19766 8993 1 14 . 1 1 89 89 TYR HA H 89 4.074 4.074 5.039 -0.965 19766 8994 1 14 . 1 1 89 89 TYR C C 89 173.089 173.089 173.272 -0.183 19766 8995 1 14 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.715 1.814 19766 8996 1 14 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.048 -0.240 19766 8997 1 14 . 1 1 89 89 TYR H H 89 8.242 8.242 7.651 0.591 19766 8998 1 14 . 1 1 90 90 ARG N N 90 128.867 128.867 122.312 6.555 19766 8999 1 14 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.191 0.238 19766 9000 1 14 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.082 -1.514 19766 9001 1 14 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.802 1.192 19766 9002 1 14 . 1 1 90 90 ARG H H 90 7.018 7.018 8.453 -1.435 19766 9003 1 14 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.244 -0.054 19766 9004 1 14 . 1 1 91 91 PRO C C 91 176.284 176.284 176.369 -0.085 19766 9005 1 14 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.228 0.261 19766 9006 1 14 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.661 1.386 19766 9007 1 14 . 1 1 92 92 LYS N N 92 119.987 119.987 122.704 -2.717 19766 9008 1 14 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.363 0.319 19766 9009 1 14 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.198 -1.511 19766 9010 1 14 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.278 1.781 19766 9011 1 14 . 1 1 92 92 LYS H H 92 8.672 8.672 8.192 0.480 19766 9012 1 14 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.239 -0.065 19766 9013 1 14 . 1 1 93 93 ARG C C 93 178.848 178.848 177.908 0.940 19766 9014 1 14 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.422 0.770 19766 9015 1 14 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.586 0.210 19766 9016 1 14 . 1 1 94 94 SER N N 94 112.252 112.252 114.646 -2.394 19766 9017 1 14 . 1 1 94 94 SER HA H 94 4.266 4.266 4.395 -0.129 19766 9018 1 14 . 1 1 94 94 SER C C 94 175.827 175.827 174.949 0.878 19766 9019 1 14 . 1 1 94 94 SER CA C 94 60.087 60.087 60.655 -0.568 19766 9020 1 14 . 1 1 94 94 SER CB C 94 62.266 62.266 63.055 -0.789 19766 9021 1 14 . 1 1 94 94 SER H H 94 8.353 8.353 8.472 -0.119 19766 9022 1 14 . 1 1 95 95 LEU N N 95 122.261 122.261 119.889 2.372 19766 9023 1 14 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.783 -0.118 19766 9024 1 14 . 1 1 95 95 LEU C C 95 175.444 175.444 177.392 -1.948 19766 9025 1 14 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.646 0.458 19766 9026 1 14 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.993 -0.081 19766 9027 1 14 . 1 1 95 95 LEU H H 95 7.229 7.229 7.416 -0.187 19766 9028 1 14 . 1 1 96 96 GLN N N 96 118.873 118.873 120.581 -1.708 19766 9029 1 14 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.236 -0.143 19766 9030 1 14 . 1 1 96 96 GLN C C 96 177.668 177.668 177.507 0.161 19766 9031 1 14 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.168 1.542 19766 9032 1 14 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.363 0.619 19766 9033 1 14 . 1 1 96 96 GLN H H 96 7.390 7.390 7.582 -0.192 19766 9034 1 14 . 1 1 97 97 LYS N N 97 116.416 116.416 119.551 -3.135 19766 9035 1 14 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.221 -0.104 19766 9036 1 14 . 1 1 97 97 LYS C C 97 179.237 179.237 179.088 0.149 19766 9037 1 14 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.470 0.923 19766 9038 1 14 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.588 -0.072 19766 9039 1 14 . 1 1 97 97 LYS H H 97 8.595 8.595 8.213 0.382 19766 9040 1 14 . 1 1 98 98 TYR N N 98 123.922 123.922 121.771 2.151 19766 9041 1 14 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.082 0.055 19766 9042 1 14 . 1 1 98 98 TYR C C 98 177.309 177.309 177.648 -0.339 19766 9043 1 14 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.283 -0.055 19766 9044 1 14 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.412 -1.122 19766 9045 1 14 . 1 1 98 98 TYR H H 98 7.558 7.558 8.118 -0.560 19766 9046 1 14 . 1 1 99 99 TYR N N 99 118.047 118.047 117.535 0.512 19766 9047 1 14 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.116 0.992 19766 9048 1 14 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.139 -4.241 19766 9049 1 14 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.153 -0.931 19766 9050 1 14 . 1 1 99 99 TYR H H 99 8.624 8.624 7.788 0.836 19766 9051 1 14 . 1 1 100 100 GLU N N 100 118.804 118.804 118.727 0.077 19766 9052 1 14 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.990 0.076 19766 9053 1 14 . 1 1 100 100 GLU C C 100 178.595 178.595 178.366 0.229 19766 9054 1 14 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.307 0.178 19766 9055 1 14 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.183 0.612 19766 9056 1 14 . 1 1 100 100 GLU H H 100 8.348 8.348 8.472 -0.124 19766 9057 1 14 . 1 1 101 101 ALA N N 101 123.315 123.315 122.344 0.971 19766 9058 1 14 . 1 1 101 101 ALA HA H 101 4.295 4.295 3.983 0.312 19766 9059 1 14 . 1 1 101 101 ALA C C 101 181.438 181.438 179.869 1.569 19766 9060 1 14 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.904 -0.046 19766 9061 1 14 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.403 0.274 19766 9062 1 14 . 1 1 101 101 ALA H H 101 7.963 7.963 7.813 0.150 19766 9063 1 14 . 1 1 102 102 VAL N N 102 120.092 120.092 117.814 2.278 19766 9064 1 14 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.430 0.347 19766 9065 1 14 . 1 1 102 102 VAL C C 102 176.958 176.958 177.856 -0.898 19766 9066 1 14 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.174 1.231 19766 9067 1 14 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.670 0.166 19766 9068 1 14 . 1 1 102 102 VAL H H 102 8.321 8.321 7.755 0.566 19766 9069 1 14 . 1 1 103 103 LYS N N 103 120.226 120.226 118.123 2.103 19766 9070 1 14 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.014 -0.088 19766 9071 1 14 . 1 1 103 103 LYS C C 103 178.354 178.354 178.585 -0.231 19766 9072 1 14 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.269 0.414 19766 9073 1 14 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.764 0.412 19766 9074 1 14 . 1 1 103 103 LYS H H 103 8.266 8.266 7.623 0.643 19766 9075 1 14 . 1 1 104 104 GLU N N 104 116.521 116.521 120.401 -3.880 19766 9076 1 14 . 1 1 104 104 GLU HA H 104 3.961 3.961 3.988 -0.027 19766 9077 1 14 . 1 1 104 104 GLU C C 104 178.628 178.628 179.096 -0.468 19766 9078 1 14 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.611 -0.501 19766 9079 1 14 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.982 0.743 19766 9080 1 14 . 1 1 104 104 GLU H H 104 8.027 8.027 8.740 -0.713 19766 9081 1 14 . 1 1 105 105 GLU N N 105 118.569 118.569 116.966 1.603 19766 9082 1 14 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.141 -0.241 19766 9083 1 14 . 1 1 105 105 GLU C C 105 178.399 178.399 178.166 0.233 19766 9084 1 14 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.997 0.268 19766 9085 1 14 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.008 0.765 19766 9086 1 14 . 1 1 105 105 GLU H H 105 7.225 7.225 7.866 -0.641 19766 9087 1 14 . 1 1 106 106 LEU N N 106 116.938 116.938 119.950 -3.012 19766 9088 1 14 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.285 -0.252 19766 9089 1 14 . 1 1 106 106 LEU C C 106 179.770 179.770 179.090 0.680 19766 9090 1 14 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.773 0.152 19766 9091 1 14 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.167 -1.882 19766 9092 1 14 . 1 1 106 106 LEU H H 106 8.273 8.273 7.130 1.143 19766 9093 1 14 . 1 1 107 107 ASP N N 107 119.855 119.855 120.519 -0.664 19766 9094 1 14 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.330 0.218 19766 9095 1 14 . 1 1 107 107 ASP C C 107 177.891 177.891 178.565 -0.674 19766 9096 1 14 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.725 -1.792 19766 9097 1 14 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.856 -0.142 19766 9098 1 14 . 1 1 107 107 ASP H H 107 8.286 8.286 8.824 -0.538 19766 9099 1 14 . 1 1 108 108 ARG N N 108 118.853 118.853 117.329 1.524 19766 9100 1 14 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.067 0.014 19766 9101 1 14 . 1 1 108 108 ARG C C 108 177.325 177.325 177.646 -0.321 19766 9102 1 14 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.768 0.241 19766 9103 1 14 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.563 0.841 19766 9104 1 14 . 1 1 108 108 ARG H H 108 7.406 7.406 7.931 -0.525 19766 9105 1 14 . 1 1 109 109 ASP N N 109 119.636 119.636 117.347 2.289 19766 9106 1 14 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.931 -0.396 19766 9107 1 14 . 1 1 109 109 ASP C C 109 176.758 176.758 178.385 -1.627 19766 9108 1 14 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.475 -0.237 19766 9109 1 14 . 1 1 109 109 ASP CB C 109 40.745 40.745 42.346 -1.601 19766 9110 1 14 . 1 1 109 109 ASP H H 109 7.853 7.853 7.946 -0.093 19766 9111 1 14 . 1 1 110 110 ILE N N 110 119.905 119.905 120.859 -0.954 19766 9112 1 14 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.742 0.362 19766 9113 1 14 . 1 1 110 110 ILE C C 110 176.642 176.642 177.726 -1.084 19766 9114 1 14 . 1 1 110 110 ILE CA C 110 61.776 61.776 64.713 -2.937 19766 9115 1 14 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.343 0.111 19766 9116 1 14 . 1 1 110 110 ILE H H 110 7.623 7.623 7.787 -0.164 19766 9117 1 14 . 1 1 111 111 VAL N N 111 122.938 122.938 119.383 3.555 19766 9118 1 14 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.872 0.206 19766 9119 1 14 . 1 1 111 111 VAL C C 111 176.668 176.668 175.603 1.065 19766 9120 1 14 . 1 1 111 111 VAL CA C 111 63.037 63.037 64.260 -1.223 19766 9121 1 14 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.419 0.063 19766 9122 1 14 . 1 1 111 111 VAL H H 111 8.043 8.043 7.906 0.137 19766 9123 1 14 . 1 1 112 112 SER N N 112 118.345 118.345 113.065 5.280 19766 9124 1 14 . 1 1 112 112 SER HA H 112 4.417 4.417 4.654 -0.237 19766 9125 1 14 . 1 1 112 112 SER C C 112 174.925 174.925 173.150 1.775 19766 9126 1 14 . 1 1 112 112 SER CA C 112 58.848 58.848 57.637 1.211 19766 9127 1 14 . 1 1 112 112 SER CB C 112 63.551 63.551 65.355 -1.804 19766 9128 1 14 . 1 1 112 112 SER H H 112 8.210 8.210 7.929 0.281 19766 9129 1 14 . 1 1 113 113 LYS N N 113 122.729 122.729 126.190 -3.461 19766 9130 1 14 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.387 -0.069 19766 9131 1 14 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.870 -0.274 19766 9132 1 14 . 1 1 113 113 LYS CB C 113 32.846 32.846 30.225 2.621 19766 9133 1 14 . 1 1 113 113 LYS H H 113 8.295 8.295 8.792 -0.497 19766 9134 1 14 . 1 1 114 114 ASN N N 114 119.243 119.243 119.887 -0.644 19766 9135 1 14 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.626 0.052 19766 9136 1 14 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.542 -0.059 19766 9137 1 14 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.769 -0.911 19766 9138 1 14 . 1 1 114 114 ASN H H 114 8.372 8.372 8.796 -0.424 19766 9139 1 14 . 1 1 115 115 ASN N N 115 119.155 119.155 118.046 1.109 19766 9140 1 14 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.829 -0.147 19766 9141 1 14 . 1 1 115 115 ASN C C 115 174.877 174.877 173.379 1.498 19766 9142 1 14 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.039 0.444 19766 9143 1 14 . 1 1 115 115 ASN CB C 115 38.858 38.858 40.572 -1.714 19766 9144 1 14 . 1 1 115 115 ASN H H 115 8.372 8.372 7.801 0.571 19766 9145 1 14 . 1 1 116 116 ALA N N 116 123.743 123.743 122.452 1.291 19766 9146 1 14 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.610 -0.281 19766 9147 1 14 . 1 1 116 116 ALA C C 116 177.574 177.574 176.008 1.566 19766 9148 1 14 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.809 0.883 19766 9149 1 14 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.934 -0.587 19766 9150 1 14 . 1 1 116 116 ALA H H 116 8.116 8.116 8.625 -0.509 19766 9151 1 14 . 1 1 117 117 GLU N N 117 120.161 120.161 122.977 -2.816 19766 9152 1 14 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.314 -0.041 19766 9153 1 14 . 1 1 117 117 GLU C C 117 175.557 175.557 175.623 -0.066 19766 9154 1 14 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.753 -0.094 19766 9155 1 14 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.627 -0.473 19766 9156 1 14 . 1 1 117 117 GLU H H 117 8.220 8.220 8.933 -0.713 19766 9157 1 15 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.756 -0.416 19766 9158 1 15 . 1 1 2 2 ALA C C 2 177.830 177.830 176.626 1.204 19766 9159 1 15 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.118 0.575 19766 9160 1 15 . 1 1 2 2 ALA CB C 2 19.359 19.359 21.559 -2.200 19766 9161 1 15 . 1 1 3 3 MET N N 3 119.580 119.580 121.470 -1.890 19766 9162 1 15 . 1 1 3 3 MET HA H 3 4.482 4.482 4.796 -0.314 19766 9163 1 15 . 1 1 3 3 MET C C 3 176.714 176.714 175.575 1.139 19766 9164 1 15 . 1 1 3 3 MET CA C 3 55.590 55.590 54.145 1.445 19766 9165 1 15 . 1 1 3 3 MET CB C 3 32.922 32.922 30.863 2.059 19766 9166 1 15 . 1 1 3 3 MET H H 3 8.451 8.451 8.782 -0.331 19766 9167 1 15 . 1 1 4 4 GLY N N 4 109.951 109.951 111.154 -1.203 19766 9168 1 15 . 1 1 4 4 GLY C C 4 174.082 174.082 174.334 -0.252 19766 9169 1 15 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.863 -0.397 19766 9170 1 15 . 1 1 4 4 GLY H H 4 8.400 8.400 8.556 -0.156 19766 9171 1 15 . 1 1 5 5 ASN N N 5 118.667 118.667 118.191 0.476 19766 9172 1 15 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.578 0.106 19766 9173 1 15 . 1 1 5 5 ASN C C 5 175.489 175.489 175.693 -0.204 19766 9174 1 15 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.159 -0.658 19766 9175 1 15 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.515 0.451 19766 9176 1 15 . 1 1 5 5 ASN H H 5 8.378 8.378 8.535 -0.157 19766 9177 1 15 . 1 1 6 6 GLU N N 6 120.908 120.908 117.074 3.834 19766 9178 1 15 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.228 -0.062 19766 9179 1 15 . 1 1 6 6 GLU C C 6 176.336 176.336 175.446 0.890 19766 9180 1 15 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.011 1.258 19766 9181 1 15 . 1 1 6 6 GLU CB C 6 29.736 29.736 28.705 1.031 19766 9182 1 15 . 1 1 6 6 GLU H H 6 8.620 8.620 8.321 0.299 19766 9183 1 15 . 1 1 7 7 TYR N N 7 120.339 120.339 122.107 -1.768 19766 9184 1 15 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.369 0.131 19766 9185 1 15 . 1 1 7 7 TYR C C 7 175.808 175.808 175.861 -0.053 19766 9186 1 15 . 1 1 7 7 TYR CA C 7 58.151 58.151 58.460 -0.309 19766 9187 1 15 . 1 1 7 7 TYR CB C 7 38.194 38.194 37.112 1.082 19766 9188 1 15 . 1 1 7 7 TYR H H 7 8.045 8.045 7.128 0.917 19766 9189 1 15 . 1 1 8 8 LYS N N 8 121.700 121.700 124.948 -3.248 19766 9190 1 15 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.291 -0.141 19766 9191 1 15 . 1 1 8 8 LYS C C 8 175.868 175.868 176.426 -0.558 19766 9192 1 15 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.065 -0.503 19766 9193 1 15 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.761 0.397 19766 9194 1 15 . 1 1 8 8 LYS H H 8 7.829 7.829 8.084 -0.255 19766 9195 1 15 . 1 1 9 9 ASP N N 9 119.811 119.811 119.351 0.460 19766 9196 1 15 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.617 0.021 19766 9197 1 15 . 1 1 9 9 ASP C C 9 175.972 175.972 174.919 1.053 19766 9198 1 15 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.286 0.338 19766 9199 1 15 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.979 0.560 19766 9200 1 15 . 1 1 9 9 ASP H H 9 8.137 8.137 8.464 -0.327 19766 9201 1 15 . 1 1 10 10 ASN N N 10 119.794 119.794 118.739 1.055 19766 9202 1 15 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.105 -0.133 19766 9203 1 15 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.085 -0.240 19766 9204 1 15 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.159 0.600 19766 9205 1 15 . 1 1 10 10 ASN H H 10 8.292 8.292 8.332 -0.040 19766 9206 1 15 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.518 0.085 19766 9207 1 15 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.824 0.425 19766 9208 1 15 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.659 -0.471 19766 9209 1 15 . 1 1 12 12 TYR N N 12 118.889 118.889 118.087 0.802 19766 9210 1 15 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.043 0.101 19766 9211 1 15 . 1 1 12 12 TYR C C 12 177.773 177.773 175.498 2.275 19766 9212 1 15 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.229 -1.046 19766 9213 1 15 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.478 2.104 19766 9214 1 15 . 1 1 12 12 TYR H H 12 8.057 8.057 7.761 0.296 19766 9215 1 15 . 1 1 13 13 ILE N N 13 112.765 112.765 116.356 -3.591 19766 9216 1 15 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.037 0.117 19766 9217 1 15 . 1 1 13 13 ILE C C 13 174.312 174.312 174.410 -0.098 19766 9218 1 15 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.283 0.753 19766 9219 1 15 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.819 -0.923 19766 9220 1 15 . 1 1 13 13 ILE H H 13 9.310 9.310 9.294 0.016 19766 9221 1 15 . 1 1 14 14 TYR N N 14 124.417 124.417 128.266 -3.849 19766 9222 1 15 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.895 -0.188 19766 9223 1 15 . 1 1 14 14 TYR C C 14 173.058 173.058 173.751 -0.693 19766 9224 1 15 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.442 -1.230 19766 9225 1 15 . 1 1 14 14 TYR CB C 14 40.219 40.219 40.142 0.077 19766 9226 1 15 . 1 1 14 14 TYR H H 14 9.252 9.252 9.104 0.148 19766 9227 1 15 . 1 1 15 15 ILE N N 15 127.660 127.660 126.997 0.663 19766 9228 1 15 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.795 -0.530 19766 9229 1 15 . 1 1 15 15 ILE C C 15 173.705 173.705 174.266 -0.561 19766 9230 1 15 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.626 -0.140 19766 9231 1 15 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.526 0.476 19766 9232 1 15 . 1 1 15 15 ILE H H 15 8.558 8.558 8.582 -0.024 19766 9233 1 15 . 1 1 16 16 GLY N N 16 112.792 112.792 111.851 0.941 19766 9234 1 15 . 1 1 16 16 GLY C C 16 173.110 173.110 172.860 0.250 19766 9235 1 15 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.898 0.351 19766 9236 1 15 . 1 1 16 16 GLY H H 16 9.516 9.516 8.856 0.660 19766 9237 1 15 . 1 1 17 17 ASN N N 17 115.139 115.139 116.038 -0.899 19766 9238 1 15 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.107 0.289 19766 9239 1 15 . 1 1 17 17 ASN C C 17 174.854 174.854 174.084 0.770 19766 9240 1 15 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.599 -0.363 19766 9241 1 15 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.227 -0.294 19766 9242 1 15 . 1 1 17 17 ASN H H 17 8.511 8.511 8.147 0.364 19766 9243 1 15 . 1 1 18 18 LEU N N 18 114.660 114.660 118.532 -3.872 19766 9244 1 15 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.339 -0.303 19766 9245 1 15 . 1 1 18 18 LEU C C 18 178.161 178.161 176.547 1.614 19766 9246 1 15 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.520 -0.636 19766 9247 1 15 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.097 -0.535 19766 9248 1 15 . 1 1 18 18 LEU H H 18 7.839 7.839 7.695 0.144 19766 9249 1 15 . 1 1 19 19 ASN N N 19 122.707 122.707 118.350 4.357 19766 9250 1 15 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.584 -0.221 19766 9251 1 15 . 1 1 19 19 ASN C C 19 178.037 178.037 176.715 1.322 19766 9252 1 15 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.230 1.374 19766 9253 1 15 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.362 -1.550 19766 9254 1 15 . 1 1 19 19 ASN H H 19 8.779 8.779 8.510 0.269 19766 9255 1 15 . 1 1 20 20 ARG N N 20 128.724 128.724 120.775 7.949 19766 9256 1 15 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.041 -0.188 19766 9257 1 15 . 1 1 20 20 ARG C C 20 175.612 175.612 177.169 -1.557 19766 9258 1 15 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.667 0.107 19766 9259 1 15 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.252 -0.568 19766 9260 1 15 . 1 1 20 20 ARG H H 20 8.954 8.954 8.700 0.254 19766 9261 1 15 . 1 1 21 21 GLU N N 21 117.609 117.609 117.139 0.470 19766 9262 1 15 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.138 0.135 19766 9263 1 15 . 1 1 21 21 GLU C C 21 177.285 177.285 176.541 0.744 19766 9264 1 15 . 1 1 21 21 GLU CA C 21 56.782 56.782 57.131 -0.349 19766 9265 1 15 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.860 1.639 19766 9266 1 15 . 1 1 21 21 GLU H H 21 9.092 9.092 8.282 0.810 19766 9267 1 15 . 1 1 22 22 LEU N N 22 116.169 116.169 122.621 -6.452 19766 9268 1 15 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.266 0.290 19766 9269 1 15 . 1 1 22 22 LEU C C 22 178.328 178.328 176.834 1.494 19766 9270 1 15 . 1 1 22 22 LEU CA C 22 55.656 55.656 55.416 0.240 19766 9271 1 15 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.222 1.004 19766 9272 1 15 . 1 1 22 22 LEU H H 22 7.208 7.208 7.348 -0.140 19766 9273 1 15 . 1 1 23 23 THR N N 23 113.733 113.733 116.780 -3.047 19766 9274 1 15 . 1 1 23 23 THR HA H 23 4.349 4.349 4.610 -0.261 19766 9275 1 15 . 1 1 23 23 THR C C 23 175.225 175.225 175.637 -0.412 19766 9276 1 15 . 1 1 23 23 THR CA C 23 59.960 59.960 59.732 0.228 19766 9277 1 15 . 1 1 23 23 THR CB C 23 72.172 72.172 70.909 1.263 19766 9278 1 15 . 1 1 23 23 THR H H 23 8.732 8.732 7.780 0.952 19766 9279 1 15 . 1 1 24 24 GLU N N 24 119.838 119.838 122.680 -2.842 19766 9280 1 15 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.138 -0.481 19766 9281 1 15 . 1 1 24 24 GLU C C 24 178.983 178.983 178.687 0.296 19766 9282 1 15 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.998 2.573 19766 9283 1 15 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.271 -1.925 19766 9284 1 15 . 1 1 24 24 GLU H H 24 9.761 9.761 8.907 0.854 19766 9285 1 15 . 1 1 25 25 GLY N N 25 104.462 104.462 105.713 -1.251 19766 9286 1 15 . 1 1 25 25 GLY C C 25 175.139 175.139 175.462 -0.323 19766 9287 1 15 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.655 0.950 19766 9288 1 15 . 1 1 25 25 GLY H H 25 8.486 8.486 8.607 -0.121 19766 9289 1 15 . 1 1 26 26 ASP N N 26 123.296 123.296 123.127 0.169 19766 9290 1 15 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.538 0.032 19766 9291 1 15 . 1 1 26 26 ASP C C 26 178.135 178.135 178.141 -0.006 19766 9292 1 15 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.299 0.513 19766 9293 1 15 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.028 0.857 19766 9294 1 15 . 1 1 26 26 ASP H H 26 7.960 7.960 7.559 0.401 19766 9295 1 15 . 1 1 27 27 ILE N N 27 118.853 118.853 120.760 -1.907 19766 9296 1 15 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.824 -0.217 19766 9297 1 15 . 1 1 27 27 ILE C C 27 178.424 178.424 178.270 0.154 19766 9298 1 15 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.063 0.678 19766 9299 1 15 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.993 -0.281 19766 9300 1 15 . 1 1 27 27 ILE H H 27 8.159 8.159 7.710 0.449 19766 9301 1 15 . 1 1 28 28 LEU N N 28 118.549 118.549 120.250 -1.701 19766 9302 1 15 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.988 -0.084 19766 9303 1 15 . 1 1 28 28 LEU C C 28 180.057 180.057 179.268 0.789 19766 9304 1 15 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.444 0.087 19766 9305 1 15 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.372 0.573 19766 9306 1 15 . 1 1 28 28 LEU H H 28 8.414 8.414 8.468 -0.054 19766 9307 1 15 . 1 1 29 29 THR N N 29 122.156 122.156 114.080 8.076 19766 9308 1 15 . 1 1 29 29 THR HA H 29 4.032 4.032 4.021 0.011 19766 9309 1 15 . 1 1 29 29 THR C C 29 175.113 175.113 176.245 -1.132 19766 9310 1 15 . 1 1 29 29 THR CA C 29 66.754 66.754 66.257 0.497 19766 9311 1 15 . 1 1 29 29 THR CB C 29 68.490 68.490 68.722 -0.232 19766 9312 1 15 . 1 1 29 29 THR H H 29 8.715 8.715 8.067 0.648 19766 9313 1 15 . 1 1 30 30 VAL N N 30 116.487 116.487 116.211 0.276 19766 9314 1 15 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.927 -0.096 19766 9315 1 15 . 1 1 30 30 VAL C C 30 179.968 179.968 177.607 2.361 19766 9316 1 15 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.680 0.835 19766 9317 1 15 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.247 1.798 19766 9318 1 15 . 1 1 30 30 VAL H H 30 7.713 7.713 7.735 -0.022 19766 9319 1 15 . 1 1 31 31 PHE N N 31 113.658 113.658 120.225 -6.567 19766 9320 1 15 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.612 -0.745 19766 9321 1 15 . 1 1 31 31 PHE C C 31 179.577 179.577 178.074 1.503 19766 9322 1 15 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.970 1.433 19766 9323 1 15 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.273 -0.960 19766 9324 1 15 . 1 1 31 31 PHE H H 31 8.876 8.876 9.022 -0.146 19766 9325 1 15 . 1 1 32 32 SER N N 32 118.635 118.635 116.086 2.549 19766 9326 1 15 . 1 1 32 32 SER HA H 32 5.381 5.381 4.594 0.787 19766 9327 1 15 . 1 1 32 32 SER C C 32 172.662 172.662 176.543 -3.881 19766 9328 1 15 . 1 1 32 32 SER CA C 32 61.338 61.338 59.550 1.788 19766 9329 1 15 . 1 1 32 32 SER CB C 32 63.875 63.875 62.569 1.306 19766 9330 1 15 . 1 1 32 32 SER H H 32 8.106 8.106 8.570 -0.464 19766 9331 1 15 . 1 1 33 33 GLU N N 33 121.234 121.234 122.010 -0.776 19766 9332 1 15 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.914 -1.757 19766 9333 1 15 . 1 1 33 33 GLU C C 33 174.223 174.223 176.961 -2.738 19766 9334 1 15 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.027 1.613 19766 9335 1 15 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.278 -1.447 19766 9336 1 15 . 1 1 33 33 GLU H H 33 6.964 6.964 7.418 -0.454 19766 9337 1 15 . 1 1 34 34 TYR N N 34 107.930 107.930 118.133 -10.203 19766 9338 1 15 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.608 -0.455 19766 9339 1 15 . 1 1 34 34 TYR C C 34 173.208 173.208 174.590 -1.382 19766 9340 1 15 . 1 1 34 34 TYR CA C 34 57.329 57.329 56.463 0.866 19766 9341 1 15 . 1 1 34 34 TYR CB C 34 38.878 38.878 37.793 1.085 19766 9342 1 15 . 1 1 34 34 TYR H H 34 6.229 6.229 7.484 -1.255 19766 9343 1 15 . 1 1 35 35 GLY N N 35 103.542 103.542 106.417 -2.875 19766 9344 1 15 . 1 1 35 35 GLY C C 35 170.379 170.379 172.253 -1.874 19766 9345 1 15 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.665 0.014 19766 9346 1 15 . 1 1 35 35 GLY H H 35 7.257 7.257 7.584 -0.327 19766 9347 1 15 . 1 1 36 36 VAL N N 36 120.446 120.446 121.843 -1.397 19766 9348 1 15 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.561 -0.057 19766 9349 1 15 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.014 0.701 19766 9350 1 15 . 1 1 36 36 VAL CB C 36 34.031 34.031 32.902 1.129 19766 9351 1 15 . 1 1 36 36 VAL H H 36 8.438 8.438 8.289 0.149 19766 9352 1 15 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.483 0.220 19766 9353 1 15 . 1 1 37 37 PRO CA C 37 62.374 62.374 63.694 -1.320 19766 9354 1 15 . 1 1 37 37 PRO CB C 37 32.071 32.071 32.253 -0.182 19766 9355 1 15 . 1 1 38 38 VAL N N 38 113.929 113.929 120.122 -6.193 19766 9356 1 15 . 1 1 38 38 VAL HA H 38 4.482 4.482 3.840 0.642 19766 9357 1 15 . 1 1 38 38 VAL CA C 38 60.454 60.454 63.949 -3.495 19766 9358 1 15 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.593 -0.089 19766 9359 1 15 . 1 1 38 38 VAL H H 38 8.966 8.966 8.397 0.569 19766 9360 1 15 . 1 1 39 39 ASP N N 39 118.213 118.213 117.695 0.518 19766 9361 1 15 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.897 -0.222 19766 9362 1 15 . 1 1 39 39 ASP C C 39 174.637 174.637 173.995 0.642 19766 9363 1 15 . 1 1 39 39 ASP CA C 39 54.688 54.688 52.669 2.019 19766 9364 1 15 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.613 -0.806 19766 9365 1 15 . 1 1 39 39 ASP H H 39 7.500 7.500 7.853 -0.353 19766 9366 1 15 . 1 1 40 40 VAL N N 40 121.576 121.576 122.947 -1.371 19766 9367 1 15 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.974 0.017 19766 9368 1 15 . 1 1 40 40 VAL C C 40 170.562 170.562 173.959 -3.397 19766 9369 1 15 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.839 0.519 19766 9370 1 15 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.405 -0.186 19766 9371 1 15 . 1 1 40 40 VAL H H 40 7.657 7.657 8.459 -0.802 19766 9372 1 15 . 1 1 41 41 ILE N N 41 125.384 125.384 125.321 0.063 19766 9373 1 15 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.726 0.092 19766 9374 1 15 . 1 1 41 41 ILE C C 41 175.425 175.425 173.210 2.215 19766 9375 1 15 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.169 2.321 19766 9376 1 15 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.648 1.908 19766 9377 1 15 . 1 1 41 41 ILE H H 41 8.901 8.901 9.062 -0.161 19766 9378 1 15 . 1 1 42 42 LEU N N 42 128.888 128.888 127.763 1.125 19766 9379 1 15 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.729 -0.268 19766 9380 1 15 . 1 1 42 42 LEU C C 42 174.934 174.934 175.684 -0.750 19766 9381 1 15 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.165 0.212 19766 9382 1 15 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.630 -0.091 19766 9383 1 15 . 1 1 42 42 LEU H H 42 8.344 8.344 9.074 -0.730 19766 9384 1 15 . 1 1 43 43 SER N N 43 122.818 122.818 121.796 1.022 19766 9385 1 15 . 1 1 43 43 SER HA H 43 3.876 3.876 4.545 -0.669 19766 9386 1 15 . 1 1 43 43 SER C C 43 173.869 173.869 173.040 0.829 19766 9387 1 15 . 1 1 43 43 SER CA C 43 59.688 59.688 57.967 1.721 19766 9388 1 15 . 1 1 43 43 SER CB C 43 62.673 62.673 63.160 -0.487 19766 9389 1 15 . 1 1 43 43 SER H H 43 8.362 8.362 8.897 -0.535 19766 9390 1 15 . 1 1 44 44 ARG N N 44 128.045 128.045 125.577 2.468 19766 9391 1 15 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.023 -0.194 19766 9392 1 15 . 1 1 44 44 ARG C C 44 175.031 175.031 175.129 -0.098 19766 9393 1 15 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.550 0.513 19766 9394 1 15 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.392 0.906 19766 9395 1 15 . 1 1 44 44 ARG H H 44 8.079 8.079 7.675 0.404 19766 9396 1 15 . 1 1 45 45 ASP N N 45 123.491 123.491 121.297 2.194 19766 9397 1 15 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.532 -0.295 19766 9398 1 15 . 1 1 45 45 ASP C C 45 177.487 177.487 177.033 0.454 19766 9399 1 15 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.370 0.547 19766 9400 1 15 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.991 0.620 19766 9401 1 15 . 1 1 45 45 ASP H H 45 8.663 8.663 8.615 0.048 19766 9402 1 15 . 1 1 46 46 GLU N N 46 125.446 125.446 124.811 0.635 19766 9403 1 15 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.125 -0.218 19766 9404 1 15 . 1 1 46 46 GLU C C 46 175.655 175.655 177.104 -1.449 19766 9405 1 15 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.369 0.504 19766 9406 1 15 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.884 -0.230 19766 9407 1 15 . 1 1 46 46 GLU H H 46 9.007 9.007 8.776 0.231 19766 9408 1 15 . 1 1 47 47 ASN N N 47 115.343 115.343 116.726 -1.383 19766 9409 1 15 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.746 0.138 19766 9410 1 15 . 1 1 47 47 ASN C C 47 176.665 176.665 176.939 -0.274 19766 9411 1 15 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.589 0.350 19766 9412 1 15 . 1 1 47 47 ASN CB C 47 40.230 40.230 40.066 0.164 19766 9413 1 15 . 1 1 47 47 ASN H H 47 8.947 8.947 8.895 0.052 19766 9414 1 15 . 1 1 48 48 THR N N 48 107.604 107.604 112.863 -5.259 19766 9415 1 15 . 1 1 48 48 THR HA H 48 4.468 4.468 4.486 -0.018 19766 9416 1 15 . 1 1 48 48 THR C C 48 176.465 176.465 175.301 1.164 19766 9417 1 15 . 1 1 48 48 THR CA C 48 61.555 61.555 62.013 -0.458 19766 9418 1 15 . 1 1 48 48 THR CB C 48 71.342 71.342 69.956 1.386 19766 9419 1 15 . 1 1 48 48 THR H H 48 8.450 8.450 8.727 -0.277 19766 9420 1 15 . 1 1 49 49 GLY N N 49 111.809 111.809 110.660 1.149 19766 9421 1 15 . 1 1 49 49 GLY C C 49 173.193 173.193 173.538 -0.345 19766 9422 1 15 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.931 -0.208 19766 9423 1 15 . 1 1 49 49 GLY H H 49 8.632 8.632 7.724 0.908 19766 9424 1 15 . 1 1 50 50 GLU N N 50 120.089 120.089 116.953 3.136 19766 9425 1 15 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.448 -0.315 19766 9426 1 15 . 1 1 50 50 GLU C C 50 176.586 176.586 175.998 0.588 19766 9427 1 15 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.267 2.265 19766 9428 1 15 . 1 1 50 50 GLU CB C 50 31.084 31.084 31.110 -0.026 19766 9429 1 15 . 1 1 50 50 GLU H H 50 7.825 7.825 7.772 0.053 19766 9430 1 15 . 1 1 51 51 SER N N 51 115.686 115.686 117.968 -2.282 19766 9431 1 15 . 1 1 51 51 SER HA H 51 4.273 4.273 4.482 -0.209 19766 9432 1 15 . 1 1 51 51 SER C C 51 176.516 176.516 174.977 1.539 19766 9433 1 15 . 1 1 51 51 SER CA C 51 58.415 58.415 59.130 -0.715 19766 9434 1 15 . 1 1 51 51 SER CB C 51 64.668 64.668 63.462 1.206 19766 9435 1 15 . 1 1 51 51 SER H H 51 8.871 8.871 8.924 -0.053 19766 9436 1 15 . 1 1 52 52 GLN N N 52 123.284 123.284 123.494 -0.210 19766 9437 1 15 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.307 0.184 19766 9438 1 15 . 1 1 52 52 GLN C C 52 177.471 177.471 177.109 0.362 19766 9439 1 15 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.197 -1.050 19766 9440 1 15 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.401 0.479 19766 9441 1 15 . 1 1 52 52 GLN H H 52 9.103 9.103 8.801 0.302 19766 9442 1 15 . 1 1 53 53 GLY N N 53 105.865 105.865 107.243 -1.378 19766 9443 1 15 . 1 1 53 53 GLY C C 53 172.010 172.010 172.718 -0.708 19766 9444 1 15 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.022 1.623 19766 9445 1 15 . 1 1 53 53 GLY H H 53 8.888 8.888 8.091 0.797 19766 9446 1 15 . 1 1 54 54 PHE N N 54 112.097 112.097 118.560 -6.463 19766 9447 1 15 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.249 0.097 19766 9448 1 15 . 1 1 54 54 PHE C C 54 171.548 171.548 173.335 -1.787 19766 9449 1 15 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.032 -0.361 19766 9450 1 15 . 1 1 54 54 PHE CB C 54 40.680 40.680 43.042 -2.362 19766 9451 1 15 . 1 1 54 54 PHE H H 54 6.879 6.879 7.220 -0.341 19766 9452 1 15 . 1 1 55 55 ALA N N 55 122.332 122.332 120.535 1.797 19766 9453 1 15 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.870 0.253 19766 9454 1 15 . 1 1 55 55 ALA C C 55 173.074 173.074 174.470 -1.396 19766 9455 1 15 . 1 1 55 55 ALA CA C 55 49.529 49.529 51.129 -1.600 19766 9456 1 15 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.521 3.218 19766 9457 1 15 . 1 1 55 55 ALA H H 55 9.051 9.051 8.888 0.163 19766 9458 1 15 . 1 1 56 56 TYR N N 56 115.022 115.022 116.368 -1.346 19766 9459 1 15 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.566 0.108 19766 9460 1 15 . 1 1 56 56 TYR C C 56 175.292 175.292 173.992 1.300 19766 9461 1 15 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.696 -1.115 19766 9462 1 15 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.721 -0.374 19766 9463 1 15 . 1 1 56 56 TYR H H 56 9.007 9.007 8.960 0.047 19766 9464 1 15 . 1 1 57 57 LEU N N 57 122.695 122.695 120.581 2.114 19766 9465 1 15 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.358 -0.599 19766 9466 1 15 . 1 1 57 57 LEU C C 57 172.173 172.173 174.261 -2.088 19766 9467 1 15 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.727 1.089 19766 9468 1 15 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.451 0.455 19766 9469 1 15 . 1 1 57 57 LEU H H 57 8.648 8.648 9.312 -0.664 19766 9470 1 15 . 1 1 58 58 LYS N N 58 125.954 125.954 121.048 4.906 19766 9471 1 15 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.604 -0.139 19766 9472 1 15 . 1 1 58 58 LYS C C 58 174.900 174.900 174.250 0.650 19766 9473 1 15 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.092 -0.469 19766 9474 1 15 . 1 1 58 58 LYS CB C 58 36.546 36.546 36.223 0.323 19766 9475 1 15 . 1 1 58 58 LYS H H 58 7.948 7.948 8.797 -0.849 19766 9476 1 15 . 1 1 59 59 TYR N N 59 126.396 126.396 126.196 0.200 19766 9477 1 15 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.547 0.553 19766 9478 1 15 . 1 1 59 59 TYR CA C 59 57.974 57.974 57.730 0.243 19766 9479 1 15 . 1 1 59 59 TYR CB C 59 42.498 42.498 40.813 1.685 19766 9480 1 15 . 1 1 59 59 TYR H H 59 9.007 9.007 8.083 0.924 19766 9481 1 15 . 1 1 60 60 GLU N N 60 120.848 120.848 121.613 -0.765 19766 9482 1 15 . 1 1 60 60 GLU HA H 60 3.873 3.873 3.862 0.011 19766 9483 1 15 . 1 1 60 60 GLU C C 60 175.081 175.081 175.473 -0.392 19766 9484 1 15 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.105 0.948 19766 9485 1 15 . 1 1 60 60 GLU CB C 60 30.867 30.867 29.630 1.237 19766 9486 1 15 . 1 1 60 60 GLU H H 60 8.973 8.973 7.849 1.124 19766 9487 1 15 . 1 1 61 61 ASP N N 61 117.604 117.604 117.876 -0.272 19766 9488 1 15 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.760 0.106 19766 9489 1 15 . 1 1 61 61 ASP C C 61 176.598 176.598 177.137 -0.539 19766 9490 1 15 . 1 1 61 61 ASP CA C 61 51.112 51.112 54.244 -3.132 19766 9491 1 15 . 1 1 61 61 ASP CB C 61 43.424 43.424 41.806 1.618 19766 9492 1 15 . 1 1 61 61 ASP H H 61 8.017 8.017 8.222 -0.205 19766 9493 1 15 . 1 1 62 62 GLN N N 62 126.427 126.427 127.062 -0.635 19766 9494 1 15 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.231 0.039 19766 9495 1 15 . 1 1 62 62 GLN C C 62 178.514 178.514 177.392 1.122 19766 9496 1 15 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.163 0.342 19766 9497 1 15 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.918 -0.945 19766 9498 1 15 . 1 1 62 62 GLN H H 62 9.007 9.007 8.967 0.040 19766 9499 1 15 . 1 1 63 63 ARG N N 63 121.369 121.369 118.996 2.373 19766 9500 1 15 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.206 -0.486 19766 9501 1 15 . 1 1 63 63 ARG C C 63 178.566 178.566 178.216 0.350 19766 9502 1 15 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.653 0.429 19766 9503 1 15 . 1 1 63 63 ARG H H 63 9.013 9.013 9.038 -0.025 19766 9504 1 15 . 1 1 64 64 SER N N 64 115.216 115.216 114.698 0.518 19766 9505 1 15 . 1 1 64 64 SER HA H 64 3.746 3.746 4.243 -0.497 19766 9506 1 15 . 1 1 64 64 SER C C 64 175.695 175.695 175.971 -0.276 19766 9507 1 15 . 1 1 64 64 SER CA C 64 63.651 63.651 60.991 2.660 19766 9508 1 15 . 1 1 64 64 SER H H 64 8.207 8.207 7.875 0.332 19766 9509 1 15 . 1 1 65 65 THR N N 65 111.402 111.402 119.907 -8.505 19766 9510 1 15 . 1 1 65 65 THR HA H 65 3.785 3.785 3.986 -0.201 19766 9511 1 15 . 1 1 65 65 THR C C 65 175.556 175.556 176.576 -1.020 19766 9512 1 15 . 1 1 65 65 THR CA C 65 66.178 66.178 67.058 -0.880 19766 9513 1 15 . 1 1 65 65 THR CB C 65 68.414 68.414 68.540 -0.126 19766 9514 1 15 . 1 1 65 65 THR H H 65 7.640 7.640 7.506 0.134 19766 9515 1 15 . 1 1 66 66 ILE N N 66 122.905 122.905 121.469 1.436 19766 9516 1 15 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.966 -0.264 19766 9517 1 15 . 1 1 66 66 ILE C C 66 177.292 177.292 177.994 -0.702 19766 9518 1 15 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.041 -0.787 19766 9519 1 15 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.841 0.558 19766 9520 1 15 . 1 1 66 66 ILE H H 66 6.702 6.702 7.520 -0.818 19766 9521 1 15 . 1 1 67 67 LEU N N 67 114.425 114.425 120.375 -5.950 19766 9522 1 15 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.723 0.007 19766 9523 1 15 . 1 1 67 67 LEU C C 67 179.641 179.641 178.612 1.029 19766 9524 1 15 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.958 -0.371 19766 9525 1 15 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.211 0.471 19766 9526 1 15 . 1 1 67 67 LEU H H 67 6.975 6.975 7.517 -0.542 19766 9527 1 15 . 1 1 68 68 ALA N N 68 120.639 120.639 120.496 0.143 19766 9528 1 15 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.442 -0.007 19766 9529 1 15 . 1 1 68 68 ALA C C 68 179.087 179.087 179.801 -0.714 19766 9530 1 15 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.833 0.903 19766 9531 1 15 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.062 0.951 19766 9532 1 15 . 1 1 68 68 ALA H H 68 8.225 8.225 8.240 -0.015 19766 9533 1 15 . 1 1 69 69 VAL N N 69 118.866 118.866 117.866 1.000 19766 9534 1 15 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.767 -0.528 19766 9535 1 15 . 1 1 69 69 VAL C C 69 178.798 178.798 177.171 1.627 19766 9536 1 15 . 1 1 69 69 VAL CA C 69 67.025 67.025 65.809 1.216 19766 9537 1 15 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.498 0.339 19766 9538 1 15 . 1 1 69 69 VAL H H 69 8.162 8.162 7.810 0.352 19766 9539 1 15 . 1 1 70 70 ASP N N 70 117.230 117.230 115.995 1.235 19766 9540 1 15 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.623 -0.569 19766 9541 1 15 . 1 1 70 70 ASP C C 70 178.297 178.297 177.124 1.173 19766 9542 1 15 . 1 1 70 70 ASP CA C 70 57.269 57.269 55.088 2.181 19766 9543 1 15 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.603 -1.981 19766 9544 1 15 . 1 1 70 70 ASP H H 70 8.262 8.262 7.811 0.451 19766 9545 1 15 . 1 1 71 71 ASN N N 71 111.214 111.214 116.354 -5.140 19766 9546 1 15 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.638 0.225 19766 9547 1 15 . 1 1 71 71 ASN C C 71 176.614 176.614 176.057 0.557 19766 9548 1 15 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.461 1.140 19766 9549 1 15 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.663 1.937 19766 9550 1 15 . 1 1 71 71 ASN H H 71 7.541 7.541 8.141 -0.600 19766 9551 1 15 . 1 1 72 72 LEU N N 72 116.127 116.127 116.793 -0.666 19766 9552 1 15 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.411 0.238 19766 9553 1 15 . 1 1 72 72 LEU C C 72 177.465 177.465 175.599 1.866 19766 9554 1 15 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.441 -0.090 19766 9555 1 15 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.538 0.010 19766 9556 1 15 . 1 1 72 72 LEU H H 72 8.323 8.323 7.593 0.730 19766 9557 1 15 . 1 1 73 73 ASN N N 73 118.792 118.792 117.367 1.425 19766 9558 1 15 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.817 -0.406 19766 9559 1 15 . 1 1 73 73 ASN C C 73 177.085 177.085 176.676 0.409 19766 9560 1 15 . 1 1 73 73 ASN CA C 73 56.554 56.554 53.862 2.692 19766 9561 1 15 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.509 0.949 19766 9562 1 15 . 1 1 73 73 ASN H H 73 6.965 6.965 7.531 -0.566 19766 9563 1 15 . 1 1 74 74 GLY N N 74 115.779 115.779 111.517 4.262 19766 9564 1 15 . 1 1 74 74 GLY C C 74 172.848 172.848 174.079 -1.231 19766 9565 1 15 . 1 1 74 74 GLY CA C 74 45.758 45.758 45.054 0.703 19766 9566 1 15 . 1 1 74 74 GLY H H 74 9.389 9.389 8.695 0.694 19766 9567 1 15 . 1 1 75 75 PHE N N 75 123.194 123.194 122.885 0.309 19766 9568 1 15 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.403 -0.116 19766 9569 1 15 . 1 1 75 75 PHE C C 75 174.778 174.778 174.586 0.192 19766 9570 1 15 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.985 0.888 19766 9571 1 15 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.204 1.398 19766 9572 1 15 . 1 1 75 75 PHE H H 75 8.133 8.133 7.843 0.290 19766 9573 1 15 . 1 1 76 76 LYS N N 76 127.364 127.364 128.608 -1.244 19766 9574 1 15 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.462 0.209 19766 9575 1 15 . 1 1 76 76 LYS C C 76 175.286 175.286 175.702 -0.416 19766 9576 1 15 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.967 0.285 19766 9577 1 15 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.234 0.967 19766 9578 1 15 . 1 1 76 76 LYS H H 76 7.596 7.596 8.021 -0.424 19766 9579 1 15 . 1 1 77 77 ILE N N 77 120.094 120.094 127.938 -7.844 19766 9580 1 15 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.213 0.145 19766 9581 1 15 . 1 1 77 77 ILE C C 77 177.519 177.519 175.644 1.875 19766 9582 1 15 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.836 -0.333 19766 9583 1 15 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.203 1.433 19766 9584 1 15 . 1 1 77 77 ILE H H 77 8.004 8.004 9.024 -1.020 19766 9585 1 15 . 1 1 78 78 GLY N N 78 119.932 119.932 116.725 3.207 19766 9586 1 15 . 1 1 78 78 GLY C C 78 175.944 175.944 174.977 0.967 19766 9587 1 15 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.049 2.170 19766 9588 1 15 . 1 1 78 78 GLY H H 78 10.183 10.183 8.942 1.241 19766 9589 1 15 . 1 1 79 79 GLY N N 79 104.505 104.505 104.909 -0.404 19766 9590 1 15 . 1 1 79 79 GLY C C 79 173.347 173.347 173.684 -0.337 19766 9591 1 15 . 1 1 79 79 GLY CA C 79 45.092 45.092 45.084 0.008 19766 9592 1 15 . 1 1 79 79 GLY H H 79 8.892 8.892 8.478 0.414 19766 9593 1 15 . 1 1 80 80 ARG N N 80 119.144 119.144 119.091 0.053 19766 9594 1 15 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.758 -0.092 19766 9595 1 15 . 1 1 80 80 ARG C C 80 174.693 174.693 173.500 1.193 19766 9596 1 15 . 1 1 80 80 ARG CA C 80 54.678 54.678 53.720 0.958 19766 9597 1 15 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.864 0.543 19766 9598 1 15 . 1 1 80 80 ARG H H 80 7.281 7.281 7.325 -0.044 19766 9599 1 15 . 1 1 81 81 ALA N N 81 126.229 126.229 122.872 3.357 19766 9600 1 15 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.317 -1.116 19766 9601 1 15 . 1 1 81 81 ALA C C 81 176.967 176.967 176.879 0.088 19766 9602 1 15 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.616 0.513 19766 9603 1 15 . 1 1 81 81 ALA CB C 81 19.200 19.200 21.046 -1.845 19766 9604 1 15 . 1 1 81 81 ALA H H 81 8.673 8.673 8.313 0.360 19766 9605 1 15 . 1 1 82 82 LEU N N 82 125.471 125.471 118.264 7.207 19766 9606 1 15 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.817 -0.393 19766 9607 1 15 . 1 1 82 82 LEU C C 82 177.436 177.436 176.095 1.341 19766 9608 1 15 . 1 1 82 82 LEU CA C 82 56.150 56.150 53.916 2.234 19766 9609 1 15 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.884 0.389 19766 9610 1 15 . 1 1 82 82 LEU H H 82 8.702 8.702 8.013 0.689 19766 9611 1 15 . 1 1 83 83 LYS N N 83 123.609 123.609 121.881 1.728 19766 9612 1 15 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.765 0.240 19766 9613 1 15 . 1 1 83 83 LYS C C 83 174.759 174.759 174.803 -0.044 19766 9614 1 15 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.389 0.396 19766 9615 1 15 . 1 1 83 83 LYS CB C 83 34.446 34.446 33.556 0.890 19766 9616 1 15 . 1 1 83 83 LYS H H 83 7.853 7.853 8.839 -0.986 19766 9617 1 15 . 1 1 84 84 ILE N N 84 125.547 125.547 128.178 -2.631 19766 9618 1 15 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.503 0.196 19766 9619 1 15 . 1 1 84 84 ILE C C 84 174.989 174.989 175.935 -0.946 19766 9620 1 15 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.056 -1.637 19766 9621 1 15 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.569 -0.202 19766 9622 1 15 . 1 1 84 84 ILE H H 84 8.719 8.719 8.692 0.027 19766 9623 1 15 . 1 1 85 85 ASP N N 85 124.650 124.650 123.409 1.241 19766 9624 1 15 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.051 -0.047 19766 9625 1 15 . 1 1 85 85 ASP C C 85 175.302 175.302 174.443 0.859 19766 9626 1 15 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.268 0.213 19766 9627 1 15 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.463 1.006 19766 9628 1 15 . 1 1 85 85 ASP H H 85 8.826 8.826 8.862 -0.036 19766 9629 1 15 . 1 1 86 86 HIS N N 86 121.936 121.936 119.377 2.559 19766 9630 1 15 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.150 -0.447 19766 9631 1 15 . 1 1 86 86 HIS C C 86 175.216 175.216 175.034 0.182 19766 9632 1 15 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.998 0.946 19766 9633 1 15 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.149 0.331 19766 9634 1 15 . 1 1 86 86 HIS H H 86 8.909 8.909 8.828 0.081 19766 9635 1 15 . 1 1 87 87 THR N N 87 116.612 116.612 117.165 -0.553 19766 9636 1 15 . 1 1 87 87 THR HA H 87 4.688 4.688 4.488 0.200 19766 9637 1 15 . 1 1 87 87 THR CA C 87 61.030 61.030 60.597 0.433 19766 9638 1 15 . 1 1 87 87 THR CB C 87 69.903 69.903 70.498 -0.595 19766 9639 1 15 . 1 1 87 87 THR H H 87 8.521 8.521 9.064 -0.543 19766 9640 1 15 . 1 1 88 88 PHE N N 88 123.233 123.233 123.662 -0.429 19766 9641 1 15 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.879 0.415 19766 9642 1 15 . 1 1 88 88 PHE C C 88 176.452 176.452 173.529 2.923 19766 9643 1 15 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.779 -0.846 19766 9644 1 15 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.063 0.050 19766 9645 1 15 . 1 1 88 88 PHE H H 88 8.145 8.145 8.437 -0.292 19766 9646 1 15 . 1 1 89 89 TYR N N 89 122.872 122.872 127.965 -5.093 19766 9647 1 15 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.324 -0.251 19766 9648 1 15 . 1 1 89 89 TYR C C 89 173.089 173.089 174.258 -1.169 19766 9649 1 15 . 1 1 89 89 TYR CA C 89 57.529 57.529 57.204 0.325 19766 9650 1 15 . 1 1 89 89 TYR CB C 89 39.808 39.808 38.866 0.942 19766 9651 1 15 . 1 1 89 89 TYR H H 89 8.242 8.242 7.663 0.579 19766 9652 1 15 . 1 1 90 90 ARG N N 90 128.867 128.867 128.926 -0.059 19766 9653 1 15 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.301 0.128 19766 9654 1 15 . 1 1 90 90 ARG CA C 90 51.568 51.568 51.576 -0.008 19766 9655 1 15 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.068 1.926 19766 9656 1 15 . 1 1 90 90 ARG H H 90 7.018 7.018 8.066 -1.048 19766 9657 1 15 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.133 0.057 19766 9658 1 15 . 1 1 91 91 PRO C C 91 176.284 176.284 175.958 0.326 19766 9659 1 15 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.464 0.025 19766 9660 1 15 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.879 1.168 19766 9661 1 15 . 1 1 92 92 LYS N N 92 119.987 119.987 123.137 -3.150 19766 9662 1 15 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.441 0.241 19766 9663 1 15 . 1 1 92 92 LYS CA C 92 54.687 54.687 55.494 -0.807 19766 9664 1 15 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.752 1.307 19766 9665 1 15 . 1 1 92 92 LYS H H 92 8.672 8.672 8.464 0.208 19766 9666 1 15 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.156 0.018 19766 9667 1 15 . 1 1 93 93 ARG C C 93 178.848 178.848 178.042 0.806 19766 9668 1 15 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.586 0.606 19766 9669 1 15 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.645 0.151 19766 9670 1 15 . 1 1 94 94 SER N N 94 112.252 112.252 115.274 -3.022 19766 9671 1 15 . 1 1 94 94 SER HA H 94 4.266 4.266 4.279 -0.013 19766 9672 1 15 . 1 1 94 94 SER C C 94 175.827 175.827 175.131 0.696 19766 9673 1 15 . 1 1 94 94 SER CA C 94 60.087 60.087 60.324 -0.237 19766 9674 1 15 . 1 1 94 94 SER CB C 94 62.266 62.266 62.759 -0.493 19766 9675 1 15 . 1 1 94 94 SER H H 94 8.353 8.353 8.454 -0.101 19766 9676 1 15 . 1 1 95 95 LEU N N 95 122.261 122.261 119.319 2.942 19766 9677 1 15 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.524 0.141 19766 9678 1 15 . 1 1 95 95 LEU C C 95 175.444 175.444 176.513 -1.069 19766 9679 1 15 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.368 0.736 19766 9680 1 15 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.377 0.535 19766 9681 1 15 . 1 1 95 95 LEU H H 95 7.229 7.229 7.363 -0.134 19766 9682 1 15 . 1 1 96 96 GLN N N 96 118.873 118.873 120.798 -1.925 19766 9683 1 15 . 1 1 96 96 GLN HA H 96 4.093 4.093 3.894 0.199 19766 9684 1 15 . 1 1 96 96 GLN C C 96 177.668 177.668 177.506 0.162 19766 9685 1 15 . 1 1 96 96 GLN CA C 96 60.710 60.710 58.935 1.775 19766 9686 1 15 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.515 0.466 19766 9687 1 15 . 1 1 96 96 GLN H H 96 7.390 7.390 7.676 -0.286 19766 9688 1 15 . 1 1 97 97 LYS N N 97 116.416 116.416 118.858 -2.442 19766 9689 1 15 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.013 0.104 19766 9690 1 15 . 1 1 97 97 LYS C C 97 179.237 179.237 179.071 0.166 19766 9691 1 15 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.347 1.046 19766 9692 1 15 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.458 0.058 19766 9693 1 15 . 1 1 97 97 LYS H H 97 8.595 8.595 8.411 0.184 19766 9694 1 15 . 1 1 98 98 TYR N N 98 123.922 123.922 121.887 2.035 19766 9695 1 15 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.145 -0.008 19766 9696 1 15 . 1 1 98 98 TYR C C 98 177.309 177.309 177.665 -0.356 19766 9697 1 15 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.768 0.461 19766 9698 1 15 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.317 -1.027 19766 9699 1 15 . 1 1 98 98 TYR H H 98 7.558 7.558 7.486 0.072 19766 9700 1 15 . 1 1 99 99 TYR N N 99 118.047 118.047 117.749 0.298 19766 9701 1 15 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.917 1.191 19766 9702 1 15 . 1 1 99 99 TYR CA C 99 57.898 57.898 58.722 -0.824 19766 9703 1 15 . 1 1 99 99 TYR CB C 99 37.222 37.222 37.571 -0.349 19766 9704 1 15 . 1 1 99 99 TYR H H 99 8.624 8.624 7.455 1.169 19766 9705 1 15 . 1 1 100 100 GLU N N 100 118.804 118.804 118.627 0.177 19766 9706 1 15 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.958 0.108 19766 9707 1 15 . 1 1 100 100 GLU C C 100 178.595 178.595 178.336 0.259 19766 9708 1 15 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.318 0.168 19766 9709 1 15 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.090 0.705 19766 9710 1 15 . 1 1 100 100 GLU H H 100 8.348 8.348 8.922 -0.574 19766 9711 1 15 . 1 1 101 101 ALA N N 101 123.315 123.315 122.286 1.029 19766 9712 1 15 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.104 0.191 19766 9713 1 15 . 1 1 101 101 ALA C C 101 181.438 181.438 179.834 1.604 19766 9714 1 15 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.870 -0.012 19766 9715 1 15 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.264 0.413 19766 9716 1 15 . 1 1 101 101 ALA H H 101 7.963 7.963 7.712 0.251 19766 9717 1 15 . 1 1 102 102 VAL N N 102 120.092 120.092 118.372 1.720 19766 9718 1 15 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.598 0.179 19766 9719 1 15 . 1 1 102 102 VAL C C 102 176.958 176.958 178.002 -1.044 19766 9720 1 15 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.989 1.416 19766 9721 1 15 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.062 0.774 19766 9722 1 15 . 1 1 102 102 VAL H H 102 8.321 8.321 7.570 0.751 19766 9723 1 15 . 1 1 103 103 LYS N N 103 120.226 120.226 118.689 1.537 19766 9724 1 15 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.025 -0.099 19766 9725 1 15 . 1 1 103 103 LYS C C 103 178.354 178.354 178.648 -0.294 19766 9726 1 15 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.361 0.322 19766 9727 1 15 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.796 0.380 19766 9728 1 15 . 1 1 103 103 LYS H H 103 8.266 8.266 8.022 0.244 19766 9729 1 15 . 1 1 104 104 GLU N N 104 116.521 116.521 120.513 -3.992 19766 9730 1 15 . 1 1 104 104 GLU HA H 104 3.961 3.961 3.973 -0.012 19766 9731 1 15 . 1 1 104 104 GLU C C 104 178.628 178.628 179.071 -0.443 19766 9732 1 15 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.632 -0.522 19766 9733 1 15 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.865 0.860 19766 9734 1 15 . 1 1 104 104 GLU H H 104 8.027 8.027 8.243 -0.216 19766 9735 1 15 . 1 1 105 105 GLU N N 105 118.569 118.569 118.961 -0.392 19766 9736 1 15 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.119 -0.219 19766 9737 1 15 . 1 1 105 105 GLU C C 105 178.399 178.399 179.304 -0.905 19766 9738 1 15 . 1 1 105 105 GLU CA C 105 58.265 58.265 58.754 -0.489 19766 9739 1 15 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.310 0.463 19766 9740 1 15 . 1 1 105 105 GLU H H 105 7.225 7.225 7.705 -0.480 19766 9741 1 15 . 1 1 106 106 LEU N N 106 116.938 116.938 119.793 -2.855 19766 9742 1 15 . 1 1 106 106 LEU HA H 106 4.033 4.033 3.929 0.104 19766 9743 1 15 . 1 1 106 106 LEU C C 106 179.770 179.770 178.995 0.775 19766 9744 1 15 . 1 1 106 106 LEU CA C 106 56.925 56.925 58.096 -1.171 19766 9745 1 15 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.539 -1.254 19766 9746 1 15 . 1 1 106 106 LEU H H 106 8.273 8.273 7.389 0.884 19766 9747 1 15 . 1 1 107 107 ASP N N 107 119.855 119.855 119.141 0.714 19766 9748 1 15 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.301 0.247 19766 9749 1 15 . 1 1 107 107 ASP C C 107 177.891 177.891 178.580 -0.689 19766 9750 1 15 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.638 -1.705 19766 9751 1 15 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.868 -0.154 19766 9752 1 15 . 1 1 107 107 ASP H H 107 8.286 8.286 8.780 -0.494 19766 9753 1 15 . 1 1 108 108 ARG N N 108 118.853 118.853 115.734 3.119 19766 9754 1 15 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.177 -0.096 19766 9755 1 15 . 1 1 108 108 ARG C C 108 177.325 177.325 177.511 -0.186 19766 9756 1 15 . 1 1 108 108 ARG CA C 108 58.009 58.009 56.985 1.024 19766 9757 1 15 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.367 1.037 19766 9758 1 15 . 1 1 108 108 ARG H H 108 7.406 7.406 7.723 -0.317 19766 9759 1 15 . 1 1 109 109 ASP N N 109 119.636 119.636 118.507 1.129 19766 9760 1 15 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.546 -0.011 19766 9761 1 15 . 1 1 109 109 ASP C C 109 176.758 176.758 177.442 -0.684 19766 9762 1 15 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.960 -0.722 19766 9763 1 15 . 1 1 109 109 ASP CB C 109 40.745 40.745 42.047 -1.302 19766 9764 1 15 . 1 1 109 109 ASP H H 109 7.853 7.853 7.539 0.314 19766 9765 1 15 . 1 1 110 110 ILE N N 110 119.905 119.905 119.360 0.545 19766 9766 1 15 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.016 0.088 19766 9767 1 15 . 1 1 110 110 ILE C C 110 176.642 176.642 176.954 -0.312 19766 9768 1 15 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.419 -1.643 19766 9769 1 15 . 1 1 110 110 ILE CB C 110 38.454 38.454 39.054 -0.600 19766 9770 1 15 . 1 1 110 110 ILE H H 110 7.623 7.623 8.094 -0.471 19766 9771 1 15 . 1 1 111 111 VAL N N 111 122.938 122.938 119.695 3.243 19766 9772 1 15 . 1 1 111 111 VAL HA H 111 4.078 4.078 4.007 0.071 19766 9773 1 15 . 1 1 111 111 VAL C C 111 176.668 176.668 176.126 0.542 19766 9774 1 15 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.285 0.752 19766 9775 1 15 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.858 -0.376 19766 9776 1 15 . 1 1 111 111 VAL H H 111 8.043 8.043 7.958 0.085 19766 9777 1 15 . 1 1 112 112 SER N N 112 118.345 118.345 122.837 -4.492 19766 9778 1 15 . 1 1 112 112 SER HA H 112 4.417 4.417 4.333 0.084 19766 9779 1 15 . 1 1 112 112 SER C C 112 174.925 174.925 174.507 0.418 19766 9780 1 15 . 1 1 112 112 SER CA C 112 58.848 58.848 60.425 -1.577 19766 9781 1 15 . 1 1 112 112 SER CB C 112 63.551 63.551 63.511 0.040 19766 9782 1 15 . 1 1 112 112 SER H H 112 8.210 8.210 8.599 -0.389 19766 9783 1 15 . 1 1 113 113 LYS N N 113 122.729 122.729 120.612 2.117 19766 9784 1 15 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.378 -0.060 19766 9785 1 15 . 1 1 113 113 LYS CA C 113 56.596 56.596 55.579 1.017 19766 9786 1 15 . 1 1 113 113 LYS CB C 113 32.846 32.846 33.310 -0.464 19766 9787 1 15 . 1 1 113 113 LYS H H 113 8.295 8.295 7.679 0.616 19766 9788 1 15 . 1 1 114 114 ASN N N 114 119.243 119.243 122.861 -3.618 19766 9789 1 15 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.664 0.014 19766 9790 1 15 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.272 0.211 19766 9791 1 15 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.776 -0.918 19766 9792 1 15 . 1 1 114 114 ASN H H 114 8.372 8.372 8.468 -0.096 19766 9793 1 15 . 1 1 115 115 ASN N N 115 119.155 119.155 122.964 -3.809 19766 9794 1 15 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.753 -0.071 19766 9795 1 15 . 1 1 115 115 ASN C C 115 174.877 174.877 173.989 0.888 19766 9796 1 15 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.733 0.750 19766 9797 1 15 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.318 -0.460 19766 9798 1 15 . 1 1 115 115 ASN H H 115 8.372 8.372 8.609 -0.237 19766 9799 1 15 . 1 1 116 116 ALA N N 116 123.743 123.743 128.731 -4.988 19766 9800 1 15 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.499 -0.170 19766 9801 1 15 . 1 1 116 116 ALA C C 116 177.574 177.574 177.027 0.547 19766 9802 1 15 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.487 1.206 19766 9803 1 15 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.634 -0.286 19766 9804 1 15 . 1 1 116 116 ALA H H 116 8.116 8.116 8.410 -0.294 19766 9805 1 15 . 1 1 117 117 GLU N N 117 120.161 120.161 124.100 -3.939 19766 9806 1 15 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.468 -0.195 19766 9807 1 15 . 1 1 117 117 GLU C C 117 175.557 175.557 175.265 0.292 19766 9808 1 15 . 1 1 117 117 GLU CA C 117 56.659 56.659 55.931 0.729 19766 9809 1 15 . 1 1 117 117 GLU CB C 117 30.154 30.154 29.017 1.137 19766 9810 1 15 . 1 1 117 117 GLU H H 117 8.220 8.220 8.643 -0.423 19766 9811 1 16 . 1 1 2 2 ALA HA H 2 4.340 4.340 3.867 0.473 19766 9812 1 16 . 1 1 2 2 ALA C C 2 177.830 177.830 176.177 1.653 19766 9813 1 16 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.971 -0.278 19766 9814 1 16 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.373 0.986 19766 9815 1 16 . 1 1 3 3 MET N N 3 119.580 119.580 122.455 -2.875 19766 9816 1 16 . 1 1 3 3 MET HA H 3 4.482 4.482 4.644 -0.162 19766 9817 1 16 . 1 1 3 3 MET C C 3 176.714 176.714 177.594 -0.880 19766 9818 1 16 . 1 1 3 3 MET CA C 3 55.590 55.590 55.508 0.082 19766 9819 1 16 . 1 1 3 3 MET CB C 3 32.922 32.922 33.641 -0.719 19766 9820 1 16 . 1 1 3 3 MET H H 3 8.451 8.451 8.285 0.166 19766 9821 1 16 . 1 1 4 4 GLY N N 4 109.951 109.951 107.027 2.924 19766 9822 1 16 . 1 1 4 4 GLY C C 4 174.082 174.082 173.703 0.379 19766 9823 1 16 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.947 0.519 19766 9824 1 16 . 1 1 4 4 GLY H H 4 8.400 8.400 8.685 -0.285 19766 9825 1 16 . 1 1 5 5 ASN N N 5 118.667 118.667 117.609 1.058 19766 9826 1 16 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.531 0.153 19766 9827 1 16 . 1 1 5 5 ASN C C 5 175.489 175.489 176.097 -0.608 19766 9828 1 16 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.804 -1.304 19766 9829 1 16 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.428 0.538 19766 9830 1 16 . 1 1 5 5 ASN H H 5 8.378 8.378 8.367 0.011 19766 9831 1 16 . 1 1 6 6 GLU N N 6 120.908 120.908 116.941 3.967 19766 9832 1 16 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.152 0.014 19766 9833 1 16 . 1 1 6 6 GLU C C 6 176.336 176.336 175.904 0.432 19766 9834 1 16 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.714 0.555 19766 9835 1 16 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.927 -0.191 19766 9836 1 16 . 1 1 6 6 GLU H H 6 8.620 8.620 8.376 0.244 19766 9837 1 16 . 1 1 7 7 TYR N N 7 120.339 120.339 119.285 1.054 19766 9838 1 16 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.576 -0.076 19766 9839 1 16 . 1 1 7 7 TYR C C 7 175.808 175.808 174.936 0.872 19766 9840 1 16 . 1 1 7 7 TYR CA C 7 58.151 58.151 57.111 1.040 19766 9841 1 16 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.535 -0.341 19766 9842 1 16 . 1 1 7 7 TYR H H 7 8.045 8.045 7.607 0.438 19766 9843 1 16 . 1 1 8 8 LYS N N 8 121.700 121.700 123.237 -1.537 19766 9844 1 16 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.255 -0.105 19766 9845 1 16 . 1 1 8 8 LYS C C 8 175.868 175.868 176.242 -0.374 19766 9846 1 16 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.255 0.307 19766 9847 1 16 . 1 1 8 8 LYS CB C 8 33.158 33.158 33.014 0.145 19766 9848 1 16 . 1 1 8 8 LYS H H 8 7.829 7.829 8.371 -0.542 19766 9849 1 16 . 1 1 9 9 ASP N N 9 119.811 119.811 120.456 -0.645 19766 9850 1 16 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.528 0.110 19766 9851 1 16 . 1 1 9 9 ASP C C 9 175.972 175.972 175.404 0.568 19766 9852 1 16 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.690 -0.066 19766 9853 1 16 . 1 1 9 9 ASP CB C 9 41.539 41.539 41.130 0.409 19766 9854 1 16 . 1 1 9 9 ASP H H 9 8.137 8.137 8.499 -0.362 19766 9855 1 16 . 1 1 10 10 ASN N N 10 119.794 119.794 118.919 0.875 19766 9856 1 16 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.745 0.227 19766 9857 1 16 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.068 -0.223 19766 9858 1 16 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.772 -0.013 19766 9859 1 16 . 1 1 10 10 ASN H H 10 8.292 8.292 8.367 -0.075 19766 9860 1 16 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.504 0.099 19766 9861 1 16 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.657 0.592 19766 9862 1 16 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.601 -0.413 19766 9863 1 16 . 1 1 12 12 TYR N N 12 118.889 118.889 118.410 0.479 19766 9864 1 16 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.200 -0.056 19766 9865 1 16 . 1 1 12 12 TYR C C 12 177.773 177.773 175.755 2.018 19766 9866 1 16 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.262 -1.079 19766 9867 1 16 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.820 2.762 19766 9868 1 16 . 1 1 12 12 TYR H H 12 8.057 8.057 7.701 0.356 19766 9869 1 16 . 1 1 13 13 ILE N N 13 112.765 112.765 118.176 -5.411 19766 9870 1 16 . 1 1 13 13 ILE HA H 13 5.154 5.154 4.980 0.174 19766 9871 1 16 . 1 1 13 13 ILE C C 13 174.312 174.312 174.845 -0.533 19766 9872 1 16 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.163 0.873 19766 9873 1 16 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.331 -0.435 19766 9874 1 16 . 1 1 13 13 ILE H H 13 9.310 9.310 9.355 -0.045 19766 9875 1 16 . 1 1 14 14 TYR N N 14 124.417 124.417 128.612 -4.195 19766 9876 1 16 . 1 1 14 14 TYR HA H 14 4.707 4.707 5.023 -0.316 19766 9877 1 16 . 1 1 14 14 TYR C C 14 173.058 173.058 173.883 -0.825 19766 9878 1 16 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.645 -1.433 19766 9879 1 16 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.401 0.818 19766 9880 1 16 . 1 1 14 14 TYR H H 14 9.252 9.252 8.996 0.256 19766 9881 1 16 . 1 1 15 15 ILE N N 15 127.660 127.660 128.333 -0.673 19766 9882 1 16 . 1 1 15 15 ILE HA H 15 4.265 4.265 4.951 -0.686 19766 9883 1 16 . 1 1 15 15 ILE C C 15 173.705 173.705 174.567 -0.862 19766 9884 1 16 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.581 -0.095 19766 9885 1 16 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.383 0.619 19766 9886 1 16 . 1 1 15 15 ILE H H 15 8.558 8.558 8.743 -0.185 19766 9887 1 16 . 1 1 16 16 GLY N N 16 112.792 112.792 112.327 0.465 19766 9888 1 16 . 1 1 16 16 GLY C C 16 173.110 173.110 172.996 0.114 19766 9889 1 16 . 1 1 16 16 GLY CA C 16 43.249 43.249 43.169 0.080 19766 9890 1 16 . 1 1 16 16 GLY H H 16 9.516 9.516 8.910 0.606 19766 9891 1 16 . 1 1 17 17 ASN N N 17 115.139 115.139 117.028 -1.889 19766 9892 1 16 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.182 0.214 19766 9893 1 16 . 1 1 17 17 ASN C C 17 174.854 174.854 173.982 0.872 19766 9894 1 16 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.706 -0.470 19766 9895 1 16 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.660 0.273 19766 9896 1 16 . 1 1 17 17 ASN H H 17 8.511 8.511 8.256 0.255 19766 9897 1 16 . 1 1 18 18 LEU N N 18 114.660 114.660 118.646 -3.986 19766 9898 1 16 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.373 -0.337 19766 9899 1 16 . 1 1 18 18 LEU C C 18 178.161 178.161 175.900 2.261 19766 9900 1 16 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.275 -0.391 19766 9901 1 16 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.385 -0.823 19766 9902 1 16 . 1 1 18 18 LEU H H 18 7.839 7.839 7.791 0.048 19766 9903 1 16 . 1 1 19 19 ASN N N 19 122.707 122.707 118.245 4.462 19766 9904 1 16 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.562 -0.199 19766 9905 1 16 . 1 1 19 19 ASN C C 19 178.037 178.037 176.821 1.216 19766 9906 1 16 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.368 1.236 19766 9907 1 16 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.815 -1.003 19766 9908 1 16 . 1 1 19 19 ASN H H 19 8.779 8.779 8.430 0.349 19766 9909 1 16 . 1 1 20 20 ARG N N 20 128.724 128.724 122.691 6.033 19766 9910 1 16 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.979 -0.126 19766 9911 1 16 . 1 1 20 20 ARG C C 20 175.612 175.612 176.515 -0.903 19766 9912 1 16 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.503 0.271 19766 9913 1 16 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.134 -0.449 19766 9914 1 16 . 1 1 20 20 ARG H H 20 8.954 8.954 8.752 0.202 19766 9915 1 16 . 1 1 21 21 GLU N N 21 117.609 117.609 114.641 2.968 19766 9916 1 16 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.207 0.066 19766 9917 1 16 . 1 1 21 21 GLU C C 21 177.285 177.285 176.260 1.025 19766 9918 1 16 . 1 1 21 21 GLU CA C 21 56.782 56.782 55.978 0.804 19766 9919 1 16 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.952 1.546 19766 9920 1 16 . 1 1 21 21 GLU H H 21 9.092 9.092 8.170 0.922 19766 9921 1 16 . 1 1 22 22 LEU N N 22 116.169 116.169 123.116 -6.947 19766 9922 1 16 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.396 0.160 19766 9923 1 16 . 1 1 22 22 LEU C C 22 178.328 178.328 176.397 1.931 19766 9924 1 16 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.701 0.955 19766 9925 1 16 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.553 0.673 19766 9926 1 16 . 1 1 22 22 LEU H H 22 7.208 7.208 7.348 -0.140 19766 9927 1 16 . 1 1 23 23 THR N N 23 113.733 113.733 116.881 -3.148 19766 9928 1 16 . 1 1 23 23 THR HA H 23 4.349 4.349 4.606 -0.257 19766 9929 1 16 . 1 1 23 23 THR C C 23 175.225 175.225 175.368 -0.143 19766 9930 1 16 . 1 1 23 23 THR CA C 23 59.960 59.960 59.173 0.787 19766 9931 1 16 . 1 1 23 23 THR CB C 23 72.172 72.172 70.972 1.200 19766 9932 1 16 . 1 1 23 23 THR H H 23 8.732 8.732 8.118 0.614 19766 9933 1 16 . 1 1 24 24 GLU N N 24 119.838 119.838 122.776 -2.938 19766 9934 1 16 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.002 -0.345 19766 9935 1 16 . 1 1 24 24 GLU C C 24 178.983 178.983 178.783 0.200 19766 9936 1 16 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.615 2.956 19766 9937 1 16 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.262 -1.916 19766 9938 1 16 . 1 1 24 24 GLU H H 24 9.761 9.761 9.012 0.749 19766 9939 1 16 . 1 1 25 25 GLY N N 25 104.462 104.462 105.868 -1.406 19766 9940 1 16 . 1 1 25 25 GLY C C 25 175.139 175.139 175.649 -0.510 19766 9941 1 16 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.564 1.041 19766 9942 1 16 . 1 1 25 25 GLY H H 25 8.486 8.486 7.931 0.555 19766 9943 1 16 . 1 1 26 26 ASP N N 26 123.296 123.296 122.644 0.652 19766 9944 1 16 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.483 0.087 19766 9945 1 16 . 1 1 26 26 ASP C C 26 178.135 178.135 178.282 -0.147 19766 9946 1 16 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.783 1.029 19766 9947 1 16 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.124 0.760 19766 9948 1 16 . 1 1 26 26 ASP H H 26 7.960 7.960 7.630 0.330 19766 9949 1 16 . 1 1 27 27 ILE N N 27 118.853 118.853 120.720 -1.867 19766 9950 1 16 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.716 -0.109 19766 9951 1 16 . 1 1 27 27 ILE C C 27 178.424 178.424 178.019 0.405 19766 9952 1 16 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.352 0.389 19766 9953 1 16 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.840 -0.128 19766 9954 1 16 . 1 1 27 27 ILE H H 27 8.159 8.159 7.825 0.334 19766 9955 1 16 . 1 1 28 28 LEU N N 28 118.549 118.549 120.030 -1.481 19766 9956 1 16 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.961 -0.057 19766 9957 1 16 . 1 1 28 28 LEU C C 28 180.057 180.057 179.640 0.417 19766 9958 1 16 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.512 0.019 19766 9959 1 16 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.215 0.730 19766 9960 1 16 . 1 1 28 28 LEU H H 28 8.414 8.414 8.367 0.047 19766 9961 1 16 . 1 1 29 29 THR N N 29 122.156 122.156 115.494 6.662 19766 9962 1 16 . 1 1 29 29 THR HA H 29 4.032 4.032 4.032 -0.000 19766 9963 1 16 . 1 1 29 29 THR C C 29 175.113 175.113 176.010 -0.897 19766 9964 1 16 . 1 1 29 29 THR CA C 29 66.754 66.754 66.373 0.381 19766 9965 1 16 . 1 1 29 29 THR CB C 29 68.490 68.490 68.690 -0.200 19766 9966 1 16 . 1 1 29 29 THR H H 29 8.715 8.715 7.881 0.834 19766 9967 1 16 . 1 1 30 30 VAL N N 30 116.487 116.487 120.194 -3.707 19766 9968 1 16 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.841 -0.010 19766 9969 1 16 . 1 1 30 30 VAL C C 30 179.968 179.968 177.856 2.112 19766 9970 1 16 . 1 1 30 30 VAL CA C 30 65.515 65.515 66.095 -0.580 19766 9971 1 16 . 1 1 30 30 VAL CB C 30 33.044 33.044 32.155 0.889 19766 9972 1 16 . 1 1 30 30 VAL H H 30 7.713 7.713 7.589 0.124 19766 9973 1 16 . 1 1 31 31 PHE N N 31 113.658 113.658 119.071 -5.413 19766 9974 1 16 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.666 -0.799 19766 9975 1 16 . 1 1 31 31 PHE C C 31 179.577 179.577 178.422 1.155 19766 9976 1 16 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.013 2.390 19766 9977 1 16 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.259 -0.946 19766 9978 1 16 . 1 1 31 31 PHE H H 31 8.876 8.876 9.094 -0.218 19766 9979 1 16 . 1 1 32 32 SER N N 32 118.635 118.635 116.167 2.468 19766 9980 1 16 . 1 1 32 32 SER HA H 32 5.381 5.381 4.712 0.669 19766 9981 1 16 . 1 1 32 32 SER C C 32 172.662 172.662 176.367 -3.705 19766 9982 1 16 . 1 1 32 32 SER CA C 32 61.338 61.338 61.268 0.070 19766 9983 1 16 . 1 1 32 32 SER CB C 32 63.875 63.875 62.968 0.907 19766 9984 1 16 . 1 1 32 32 SER H H 32 8.106 8.106 8.467 -0.361 19766 9985 1 16 . 1 1 33 33 GLU N N 33 121.234 121.234 121.329 -0.095 19766 9986 1 16 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.156 -1.999 19766 9987 1 16 . 1 1 33 33 GLU C C 33 174.223 174.223 176.616 -2.393 19766 9988 1 16 . 1 1 33 33 GLU CA C 33 59.640 59.640 57.474 2.166 19766 9989 1 16 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.640 -1.809 19766 9990 1 16 . 1 1 33 33 GLU H H 33 6.964 6.964 7.689 -0.725 19766 9991 1 16 . 1 1 34 34 TYR N N 34 107.930 107.930 118.459 -10.529 19766 9992 1 16 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.577 -0.424 19766 9993 1 16 . 1 1 34 34 TYR C C 34 173.208 173.208 174.572 -1.364 19766 9994 1 16 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.377 -0.048 19766 9995 1 16 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.563 0.315 19766 9996 1 16 . 1 1 34 34 TYR H H 34 6.229 6.229 7.621 -1.392 19766 9997 1 16 . 1 1 35 35 GLY N N 35 103.542 103.542 104.658 -1.116 19766 9998 1 16 . 1 1 35 35 GLY C C 35 170.379 170.379 172.224 -1.845 19766 9999 1 16 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.578 0.101 19766 10000 1 16 . 1 1 35 35 GLY H H 35 7.257 7.257 7.364 -0.107 19766 10001 1 16 . 1 1 36 36 VAL N N 36 120.446 120.446 121.322 -0.876 19766 10002 1 16 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.449 0.055 19766 10003 1 16 . 1 1 36 36 VAL CA C 36 59.715 59.715 58.929 0.786 19766 10004 1 16 . 1 1 36 36 VAL CB C 36 34.031 34.031 32.769 1.262 19766 10005 1 16 . 1 1 36 36 VAL H H 36 8.438 8.438 8.493 -0.055 19766 10006 1 16 . 1 1 37 37 PRO HA H 37 4.703 4.703 3.869 0.834 19766 10007 1 16 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.798 -0.424 19766 10008 1 16 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.870 0.201 19766 10009 1 16 . 1 1 38 38 VAL N N 38 113.929 113.929 119.728 -5.799 19766 10010 1 16 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.093 0.389 19766 10011 1 16 . 1 1 38 38 VAL CA C 38 60.454 60.454 63.370 -2.916 19766 10012 1 16 . 1 1 38 38 VAL CB C 38 32.504 32.504 33.155 -0.651 19766 10013 1 16 . 1 1 38 38 VAL H H 38 8.966 8.966 8.617 0.349 19766 10014 1 16 . 1 1 39 39 ASP N N 39 118.213 118.213 118.883 -0.670 19766 10015 1 16 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.922 -0.247 19766 10016 1 16 . 1 1 39 39 ASP C C 39 174.637 174.637 174.012 0.625 19766 10017 1 16 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.619 1.069 19766 10018 1 16 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.250 -0.443 19766 10019 1 16 . 1 1 39 39 ASP H H 39 7.500 7.500 7.970 -0.470 19766 10020 1 16 . 1 1 40 40 VAL N N 40 121.576 121.576 124.101 -2.525 19766 10021 1 16 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.893 0.098 19766 10022 1 16 . 1 1 40 40 VAL C C 40 170.562 170.562 173.970 -3.408 19766 10023 1 16 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.045 0.313 19766 10024 1 16 . 1 1 40 40 VAL CB C 40 34.219 34.219 33.967 0.252 19766 10025 1 16 . 1 1 40 40 VAL H H 40 7.657 7.657 8.555 -0.898 19766 10026 1 16 . 1 1 41 41 ILE N N 41 125.384 125.384 126.040 -0.656 19766 10027 1 16 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.694 0.124 19766 10028 1 16 . 1 1 41 41 ILE C C 41 175.425 175.425 173.430 1.995 19766 10029 1 16 . 1 1 41 41 ILE CA C 41 61.490 61.490 58.777 2.713 19766 10030 1 16 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.150 2.406 19766 10031 1 16 . 1 1 41 41 ILE H H 41 8.901 8.901 9.145 -0.244 19766 10032 1 16 . 1 1 42 42 LEU N N 42 128.888 128.888 128.266 0.622 19766 10033 1 16 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.624 -0.163 19766 10034 1 16 . 1 1 42 42 LEU C C 42 174.934 174.934 175.480 -0.546 19766 10035 1 16 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.398 -0.021 19766 10036 1 16 . 1 1 42 42 LEU CB C 42 43.539 43.539 42.507 1.032 19766 10037 1 16 . 1 1 42 42 LEU H H 42 8.344 8.344 8.682 -0.338 19766 10038 1 16 . 1 1 43 43 SER N N 43 122.818 122.818 121.623 1.195 19766 10039 1 16 . 1 1 43 43 SER HA H 43 3.876 3.876 4.446 -0.570 19766 10040 1 16 . 1 1 43 43 SER C C 43 173.869 173.869 173.163 0.706 19766 10041 1 16 . 1 1 43 43 SER CA C 43 59.688 59.688 58.708 0.980 19766 10042 1 16 . 1 1 43 43 SER CB C 43 62.673 62.673 62.988 -0.315 19766 10043 1 16 . 1 1 43 43 SER H H 43 8.362 8.362 8.736 -0.374 19766 10044 1 16 . 1 1 44 44 ARG N N 44 128.045 128.045 124.386 3.659 19766 10045 1 16 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.008 -0.179 19766 10046 1 16 . 1 1 44 44 ARG C C 44 175.031 175.031 174.506 0.525 19766 10047 1 16 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.648 0.414 19766 10048 1 16 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.635 0.663 19766 10049 1 16 . 1 1 44 44 ARG H H 44 8.079 8.079 7.794 0.285 19766 10050 1 16 . 1 1 45 45 ASP N N 45 123.491 123.491 121.279 2.212 19766 10051 1 16 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.448 -0.211 19766 10052 1 16 . 1 1 45 45 ASP C C 45 177.487 177.487 176.916 0.571 19766 10053 1 16 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.170 0.747 19766 10054 1 16 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.918 0.693 19766 10055 1 16 . 1 1 45 45 ASP H H 45 8.663 8.663 8.487 0.176 19766 10056 1 16 . 1 1 46 46 GLU N N 46 125.446 125.446 125.295 0.151 19766 10057 1 16 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.024 -0.117 19766 10058 1 16 . 1 1 46 46 GLU C C 46 175.655 175.655 176.163 -0.508 19766 10059 1 16 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.123 0.750 19766 10060 1 16 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.651 0.003 19766 10061 1 16 . 1 1 46 46 GLU H H 46 9.007 9.007 8.873 0.134 19766 10062 1 16 . 1 1 47 47 ASN N N 47 115.343 115.343 116.071 -0.728 19766 10063 1 16 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.756 0.128 19766 10064 1 16 . 1 1 47 47 ASN C C 47 176.665 176.665 176.487 0.178 19766 10065 1 16 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.782 0.157 19766 10066 1 16 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.645 0.585 19766 10067 1 16 . 1 1 47 47 ASN H H 47 8.947 8.947 8.368 0.579 19766 10068 1 16 . 1 1 48 48 THR N N 48 107.604 107.604 112.751 -5.147 19766 10069 1 16 . 1 1 48 48 THR HA H 48 4.468 4.468 4.454 0.014 19766 10070 1 16 . 1 1 48 48 THR C C 48 176.465 176.465 175.548 0.917 19766 10071 1 16 . 1 1 48 48 THR CA C 48 61.555 61.555 62.354 -0.799 19766 10072 1 16 . 1 1 48 48 THR CB C 48 71.342 71.342 70.105 1.237 19766 10073 1 16 . 1 1 48 48 THR H H 48 8.450 8.450 8.782 -0.332 19766 10074 1 16 . 1 1 49 49 GLY N N 49 111.809 111.809 110.227 1.582 19766 10075 1 16 . 1 1 49 49 GLY C C 49 173.193 173.193 173.242 -0.049 19766 10076 1 16 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.592 0.131 19766 10077 1 16 . 1 1 49 49 GLY H H 49 8.632 8.632 7.683 0.950 19766 10078 1 16 . 1 1 50 50 GLU N N 50 120.089 120.089 118.850 1.239 19766 10079 1 16 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.205 -0.072 19766 10080 1 16 . 1 1 50 50 GLU C C 50 176.586 176.586 176.618 -0.032 19766 10081 1 16 . 1 1 50 50 GLU CA C 50 56.532 56.532 55.611 0.921 19766 10082 1 16 . 1 1 50 50 GLU CB C 50 31.084 31.084 29.334 1.750 19766 10083 1 16 . 1 1 50 50 GLU H H 50 7.825 7.825 8.002 -0.177 19766 10084 1 16 . 1 1 51 51 SER N N 51 115.686 115.686 122.035 -6.349 19766 10085 1 16 . 1 1 51 51 SER HA H 51 4.273 4.273 4.194 0.079 19766 10086 1 16 . 1 1 51 51 SER C C 51 176.516 176.516 175.274 1.242 19766 10087 1 16 . 1 1 51 51 SER CA C 51 58.415 58.415 59.569 -1.153 19766 10088 1 16 . 1 1 51 51 SER CB C 51 64.668 64.668 63.259 1.409 19766 10089 1 16 . 1 1 51 51 SER H H 51 8.871 8.871 8.706 0.165 19766 10090 1 16 . 1 1 52 52 GLN N N 52 123.284 123.284 124.898 -1.614 19766 10091 1 16 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.362 0.129 19766 10092 1 16 . 1 1 52 52 GLN C C 52 177.471 177.471 177.244 0.227 19766 10093 1 16 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.930 -0.783 19766 10094 1 16 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.402 0.478 19766 10095 1 16 . 1 1 52 52 GLN H H 52 9.103 9.103 8.862 0.241 19766 10096 1 16 . 1 1 53 53 GLY N N 53 105.865 105.865 107.705 -1.840 19766 10097 1 16 . 1 1 53 53 GLY C C 53 172.010 172.010 172.555 -0.545 19766 10098 1 16 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.047 1.599 19766 10099 1 16 . 1 1 53 53 GLY H H 53 8.888 8.888 7.965 0.923 19766 10100 1 16 . 1 1 54 54 PHE N N 54 112.097 112.097 118.671 -6.574 19766 10101 1 16 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.356 -0.010 19766 10102 1 16 . 1 1 54 54 PHE C C 54 171.548 171.548 173.402 -1.854 19766 10103 1 16 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.837 -0.166 19766 10104 1 16 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.995 -2.315 19766 10105 1 16 . 1 1 54 54 PHE H H 54 6.879 6.879 7.130 -0.251 19766 10106 1 16 . 1 1 55 55 ALA N N 55 122.332 122.332 120.517 1.815 19766 10107 1 16 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.925 0.198 19766 10108 1 16 . 1 1 55 55 ALA C C 55 173.074 173.074 174.565 -1.491 19766 10109 1 16 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.998 -1.469 19766 10110 1 16 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.549 3.190 19766 10111 1 16 . 1 1 55 55 ALA H H 55 9.051 9.051 8.919 0.132 19766 10112 1 16 . 1 1 56 56 TYR N N 56 115.022 115.022 116.530 -1.508 19766 10113 1 16 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.813 -0.139 19766 10114 1 16 . 1 1 56 56 TYR C C 56 175.292 175.292 174.339 0.953 19766 10115 1 16 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.418 -0.837 19766 10116 1 16 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.840 -0.493 19766 10117 1 16 . 1 1 56 56 TYR H H 56 9.007 9.007 8.965 0.042 19766 10118 1 16 . 1 1 57 57 LEU N N 57 122.695 122.695 121.621 1.074 19766 10119 1 16 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.610 -0.851 19766 10120 1 16 . 1 1 57 57 LEU C C 57 172.173 172.173 174.212 -2.039 19766 10121 1 16 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.794 1.022 19766 10122 1 16 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.508 0.398 19766 10123 1 16 . 1 1 57 57 LEU H H 57 8.648 8.648 9.140 -0.492 19766 10124 1 16 . 1 1 58 58 LYS N N 58 125.954 125.954 118.755 7.199 19766 10125 1 16 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.891 -0.426 19766 10126 1 16 . 1 1 58 58 LYS C C 58 174.900 174.900 174.711 0.189 19766 10127 1 16 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.926 -0.303 19766 10128 1 16 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.409 1.137 19766 10129 1 16 . 1 1 58 58 LYS H H 58 7.948 7.948 8.741 -0.793 19766 10130 1 16 . 1 1 59 59 TYR N N 59 126.396 126.396 121.658 4.738 19766 10131 1 16 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.721 0.379 19766 10132 1 16 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.021 -0.047 19766 10133 1 16 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.830 2.668 19766 10134 1 16 . 1 1 59 59 TYR H H 59 9.007 9.007 8.550 0.457 19766 10135 1 16 . 1 1 60 60 GLU N N 60 120.848 120.848 120.413 0.435 19766 10136 1 16 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.061 -0.188 19766 10137 1 16 . 1 1 60 60 GLU C C 60 175.081 175.081 176.389 -1.308 19766 10138 1 16 . 1 1 60 60 GLU CA C 60 59.053 59.053 58.435 0.618 19766 10139 1 16 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.316 0.551 19766 10140 1 16 . 1 1 60 60 GLU H H 60 8.973 8.973 8.910 0.063 19766 10141 1 16 . 1 1 61 61 ASP N N 61 117.604 117.604 118.487 -0.883 19766 10142 1 16 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.756 0.110 19766 10143 1 16 . 1 1 61 61 ASP C C 61 176.598 176.598 177.137 -0.539 19766 10144 1 16 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.484 -2.372 19766 10145 1 16 . 1 1 61 61 ASP CB C 61 43.424 43.424 41.949 1.475 19766 10146 1 16 . 1 1 61 61 ASP H H 61 8.017 8.017 8.318 -0.301 19766 10147 1 16 . 1 1 62 62 GLN N N 62 126.427 126.427 125.239 1.188 19766 10148 1 16 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.127 0.143 19766 10149 1 16 . 1 1 62 62 GLN C C 62 178.514 178.514 177.801 0.713 19766 10150 1 16 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.905 -0.400 19766 10151 1 16 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.965 -0.992 19766 10152 1 16 . 1 1 62 62 GLN H H 62 9.007 9.007 8.970 0.037 19766 10153 1 16 . 1 1 63 63 ARG N N 63 121.369 121.369 118.881 2.488 19766 10154 1 16 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.029 -0.309 19766 10155 1 16 . 1 1 63 63 ARG C C 63 178.566 178.566 178.315 0.251 19766 10156 1 16 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.741 -0.659 19766 10157 1 16 . 1 1 63 63 ARG H H 63 9.013 9.013 9.077 -0.064 19766 10158 1 16 . 1 1 64 64 SER N N 64 115.216 115.216 115.379 -0.163 19766 10159 1 16 . 1 1 64 64 SER HA H 64 3.746 3.746 4.229 -0.483 19766 10160 1 16 . 1 1 64 64 SER C C 64 175.695 175.695 175.675 0.020 19766 10161 1 16 . 1 1 64 64 SER CA C 64 63.651 63.651 61.844 1.807 19766 10162 1 16 . 1 1 64 64 SER H H 64 8.207 8.207 7.893 0.314 19766 10163 1 16 . 1 1 65 65 THR N N 65 111.402 111.402 120.406 -9.004 19766 10164 1 16 . 1 1 65 65 THR HA H 65 3.785 3.785 4.205 -0.420 19766 10165 1 16 . 1 1 65 65 THR C C 65 175.556 175.556 176.547 -0.991 19766 10166 1 16 . 1 1 65 65 THR CA C 65 66.178 66.178 67.034 -0.856 19766 10167 1 16 . 1 1 65 65 THR CB C 65 68.414 68.414 68.747 -0.333 19766 10168 1 16 . 1 1 65 65 THR H H 65 7.640 7.640 7.282 0.358 19766 10169 1 16 . 1 1 66 66 ILE N N 66 122.905 122.905 121.687 1.218 19766 10170 1 16 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.990 -0.288 19766 10171 1 16 . 1 1 66 66 ILE C C 66 177.292 177.292 178.244 -0.952 19766 10172 1 16 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.378 -1.124 19766 10173 1 16 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.762 0.637 19766 10174 1 16 . 1 1 66 66 ILE H H 66 6.702 6.702 8.596 -1.894 19766 10175 1 16 . 1 1 67 67 LEU N N 67 114.425 114.425 121.350 -6.925 19766 10176 1 16 . 1 1 67 67 LEU HA H 67 3.730 3.730 4.081 -0.351 19766 10177 1 16 . 1 1 67 67 LEU C C 67 179.641 179.641 177.939 1.702 19766 10178 1 16 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.516 0.071 19766 10179 1 16 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.579 0.103 19766 10180 1 16 . 1 1 67 67 LEU H H 67 6.975 6.975 7.609 -0.634 19766 10181 1 16 . 1 1 68 68 ALA N N 68 120.639 120.639 121.617 -0.978 19766 10182 1 16 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.355 0.080 19766 10183 1 16 . 1 1 68 68 ALA C C 68 179.087 179.087 179.406 -0.319 19766 10184 1 16 . 1 1 68 68 ALA CA C 68 55.736 55.736 55.016 0.720 19766 10185 1 16 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.116 0.896 19766 10186 1 16 . 1 1 68 68 ALA H H 68 8.225 8.225 7.997 0.228 19766 10187 1 16 . 1 1 69 69 VAL N N 69 118.866 118.866 117.440 1.426 19766 10188 1 16 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.658 -0.419 19766 10189 1 16 . 1 1 69 69 VAL C C 69 178.798 178.798 177.317 1.481 19766 10190 1 16 . 1 1 69 69 VAL CA C 69 67.025 67.025 65.972 1.053 19766 10191 1 16 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.946 -0.109 19766 10192 1 16 . 1 1 69 69 VAL H H 69 8.162 8.162 7.992 0.170 19766 10193 1 16 . 1 1 70 70 ASP N N 70 117.230 117.230 116.590 0.640 19766 10194 1 16 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.501 -0.447 19766 10195 1 16 . 1 1 70 70 ASP C C 70 178.297 178.297 177.276 1.021 19766 10196 1 16 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.091 1.178 19766 10197 1 16 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.405 -1.783 19766 10198 1 16 . 1 1 70 70 ASP H H 70 8.262 8.262 7.953 0.309 19766 10199 1 16 . 1 1 71 71 ASN N N 71 111.214 111.214 116.664 -5.450 19766 10200 1 16 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.650 0.213 19766 10201 1 16 . 1 1 71 71 ASN C C 71 176.614 176.614 176.708 -0.094 19766 10202 1 16 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.704 0.897 19766 10203 1 16 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.156 2.444 19766 10204 1 16 . 1 1 71 71 ASN H H 71 7.541 7.541 7.813 -0.272 19766 10205 1 16 . 1 1 72 72 LEU N N 72 116.127 116.127 117.977 -1.850 19766 10206 1 16 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.127 0.522 19766 10207 1 16 . 1 1 72 72 LEU C C 72 177.465 177.465 176.083 1.382 19766 10208 1 16 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.154 -0.802 19766 10209 1 16 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.591 0.957 19766 10210 1 16 . 1 1 72 72 LEU H H 72 8.323 8.323 7.902 0.421 19766 10211 1 16 . 1 1 73 73 ASN N N 73 118.792 118.792 117.751 1.041 19766 10212 1 16 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.610 -0.199 19766 10213 1 16 . 1 1 73 73 ASN C C 73 177.085 177.085 176.533 0.552 19766 10214 1 16 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.865 1.689 19766 10215 1 16 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.105 1.353 19766 10216 1 16 . 1 1 73 73 ASN H H 73 6.965 6.965 7.545 -0.580 19766 10217 1 16 . 1 1 74 74 GLY N N 74 115.779 115.779 114.268 1.511 19766 10218 1 16 . 1 1 74 74 GLY C C 74 172.848 172.848 173.880 -1.032 19766 10219 1 16 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.995 0.763 19766 10220 1 16 . 1 1 74 74 GLY H H 74 9.389 9.389 8.921 0.468 19766 10221 1 16 . 1 1 75 75 PHE N N 75 123.194 123.194 122.681 0.513 19766 10222 1 16 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.420 -0.133 19766 10223 1 16 . 1 1 75 75 PHE C C 75 174.778 174.778 174.369 0.409 19766 10224 1 16 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.181 0.692 19766 10225 1 16 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.420 1.182 19766 10226 1 16 . 1 1 75 75 PHE H H 75 8.133 8.133 8.024 0.109 19766 10227 1 16 . 1 1 76 76 LYS N N 76 127.364 127.364 128.841 -1.477 19766 10228 1 16 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.580 0.091 19766 10229 1 16 . 1 1 76 76 LYS C C 76 175.286 175.286 175.605 -0.319 19766 10230 1 16 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.686 0.566 19766 10231 1 16 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.072 1.129 19766 10232 1 16 . 1 1 76 76 LYS H H 76 7.596 7.596 7.990 -0.394 19766 10233 1 16 . 1 1 77 77 ILE N N 77 120.094 120.094 127.995 -7.901 19766 10234 1 16 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.235 0.123 19766 10235 1 16 . 1 1 77 77 ILE C C 77 177.519 177.519 175.708 1.811 19766 10236 1 16 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.008 -0.505 19766 10237 1 16 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.545 1.091 19766 10238 1 16 . 1 1 77 77 ILE H H 77 8.004 8.004 8.994 -0.990 19766 10239 1 16 . 1 1 78 78 GLY N N 78 119.932 119.932 116.273 3.659 19766 10240 1 16 . 1 1 78 78 GLY C C 78 175.944 175.944 175.168 0.776 19766 10241 1 16 . 1 1 78 78 GLY CA C 78 47.219 47.219 44.977 2.242 19766 10242 1 16 . 1 1 78 78 GLY H H 78 10.183 10.183 9.017 1.166 19766 10243 1 16 . 1 1 79 79 GLY N N 79 104.505 104.505 104.571 -0.066 19766 10244 1 16 . 1 1 79 79 GLY C C 79 173.347 173.347 173.919 -0.572 19766 10245 1 16 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.923 0.169 19766 10246 1 16 . 1 1 79 79 GLY H H 79 8.892 8.892 8.452 0.440 19766 10247 1 16 . 1 1 80 80 ARG N N 80 119.144 119.144 119.366 -0.222 19766 10248 1 16 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.696 -0.030 19766 10249 1 16 . 1 1 80 80 ARG C C 80 174.693 174.693 173.988 0.705 19766 10250 1 16 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.077 0.601 19766 10251 1 16 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.581 0.826 19766 10252 1 16 . 1 1 80 80 ARG H H 80 7.281 7.281 7.378 -0.097 19766 10253 1 16 . 1 1 81 81 ALA N N 81 126.229 126.229 125.027 1.202 19766 10254 1 16 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.210 -1.009 19766 10255 1 16 . 1 1 81 81 ALA C C 81 176.967 176.967 177.536 -0.569 19766 10256 1 16 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.144 0.985 19766 10257 1 16 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.061 -0.861 19766 10258 1 16 . 1 1 81 81 ALA H H 81 8.673 8.673 8.432 0.241 19766 10259 1 16 . 1 1 82 82 LEU N N 82 125.471 125.471 121.580 3.891 19766 10260 1 16 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.763 -0.339 19766 10261 1 16 . 1 1 82 82 LEU C C 82 177.436 177.436 175.970 1.466 19766 10262 1 16 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.721 1.429 19766 10263 1 16 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.792 0.481 19766 10264 1 16 . 1 1 82 82 LEU H H 82 8.702 8.702 8.472 0.230 19766 10265 1 16 . 1 1 83 83 LYS N N 83 123.609 123.609 123.151 0.458 19766 10266 1 16 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.468 -0.463 19766 10267 1 16 . 1 1 83 83 LYS C C 83 174.759 174.759 175.319 -0.560 19766 10268 1 16 . 1 1 83 83 LYS CA C 83 54.785 54.785 53.809 0.976 19766 10269 1 16 . 1 1 83 83 LYS CB C 83 34.446 34.446 35.035 -0.589 19766 10270 1 16 . 1 1 83 83 LYS H H 83 7.853 7.853 8.778 -0.925 19766 10271 1 16 . 1 1 84 84 ILE N N 84 125.547 125.547 127.397 -1.850 19766 10272 1 16 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.647 0.052 19766 10273 1 16 . 1 1 84 84 ILE C C 84 174.989 174.989 175.645 -0.656 19766 10274 1 16 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.842 -1.423 19766 10275 1 16 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.744 -1.377 19766 10276 1 16 . 1 1 84 84 ILE H H 84 8.719 8.719 8.194 0.525 19766 10277 1 16 . 1 1 85 85 ASP N N 85 124.650 124.650 122.531 2.119 19766 10278 1 16 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.024 -0.020 19766 10279 1 16 . 1 1 85 85 ASP C C 85 175.302 175.302 174.100 1.202 19766 10280 1 16 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.495 -0.014 19766 10281 1 16 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.286 1.183 19766 10282 1 16 . 1 1 85 85 ASP H H 85 8.826 8.826 8.783 0.043 19766 10283 1 16 . 1 1 86 86 HIS N N 86 121.936 121.936 117.699 4.237 19766 10284 1 16 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.328 -0.625 19766 10285 1 16 . 1 1 86 86 HIS C C 86 175.216 175.216 174.546 0.670 19766 10286 1 16 . 1 1 86 86 HIS CA C 86 57.944 57.944 55.985 1.959 19766 10287 1 16 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.559 -0.079 19766 10288 1 16 . 1 1 86 86 HIS H H 86 8.909 8.909 8.705 0.204 19766 10289 1 16 . 1 1 87 87 THR N N 87 116.612 116.612 116.102 0.510 19766 10290 1 16 . 1 1 87 87 THR HA H 87 4.688 4.688 4.449 0.239 19766 10291 1 16 . 1 1 87 87 THR CA C 87 61.030 61.030 60.654 0.376 19766 10292 1 16 . 1 1 87 87 THR CB C 87 69.903 69.903 71.411 -1.508 19766 10293 1 16 . 1 1 87 87 THR H H 87 8.521 8.521 8.873 -0.352 19766 10294 1 16 . 1 1 88 88 PHE N N 88 123.233 123.233 122.825 0.408 19766 10295 1 16 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.914 0.380 19766 10296 1 16 . 1 1 88 88 PHE C C 88 176.452 176.452 173.695 2.757 19766 10297 1 16 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.251 -0.318 19766 10298 1 16 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.449 -0.336 19766 10299 1 16 . 1 1 88 88 PHE H H 88 8.145 8.145 8.213 -0.068 19766 10300 1 16 . 1 1 89 89 TYR N N 89 122.872 122.872 121.653 1.219 19766 10301 1 16 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.526 -0.452 19766 10302 1 16 . 1 1 89 89 TYR C C 89 173.089 173.089 173.251 -0.162 19766 10303 1 16 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.465 2.064 19766 10304 1 16 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.036 -0.228 19766 10305 1 16 . 1 1 89 89 TYR H H 89 8.242 8.242 7.072 1.170 19766 10306 1 16 . 1 1 90 90 ARG N N 90 128.867 128.867 121.621 7.246 19766 10307 1 16 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.107 0.322 19766 10308 1 16 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.195 -1.627 19766 10309 1 16 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.480 1.514 19766 10310 1 16 . 1 1 90 90 ARG H H 90 7.018 7.018 8.442 -1.424 19766 10311 1 16 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.016 0.174 19766 10312 1 16 . 1 1 91 91 PRO C C 91 176.284 176.284 176.550 -0.266 19766 10313 1 16 . 1 1 91 91 PRO CA C 91 62.489 62.489 63.039 -0.550 19766 10314 1 16 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.351 1.696 19766 10315 1 16 . 1 1 92 92 LYS N N 92 119.987 119.987 126.245 -6.258 19766 10316 1 16 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.274 0.408 19766 10317 1 16 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.527 -1.840 19766 10318 1 16 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.318 1.741 19766 10319 1 16 . 1 1 92 92 LYS H H 92 8.672 8.672 8.736 -0.064 19766 10320 1 16 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.176 -0.002 19766 10321 1 16 . 1 1 93 93 ARG C C 93 178.848 178.848 178.393 0.455 19766 10322 1 16 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.868 0.324 19766 10323 1 16 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.814 -0.018 19766 10324 1 16 . 1 1 94 94 SER N N 94 112.252 112.252 114.501 -2.249 19766 10325 1 16 . 1 1 94 94 SER HA H 94 4.266 4.266 4.328 -0.062 19766 10326 1 16 . 1 1 94 94 SER C C 94 175.827 175.827 174.995 0.832 19766 10327 1 16 . 1 1 94 94 SER CA C 94 60.087 60.087 60.380 -0.293 19766 10328 1 16 . 1 1 94 94 SER CB C 94 62.266 62.266 62.801 -0.535 19766 10329 1 16 . 1 1 94 94 SER H H 94 8.353 8.353 8.515 -0.162 19766 10330 1 16 . 1 1 95 95 LEU N N 95 122.261 122.261 120.320 1.941 19766 10331 1 16 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.560 0.105 19766 10332 1 16 . 1 1 95 95 LEU C C 95 175.444 175.444 176.479 -1.035 19766 10333 1 16 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.448 0.656 19766 10334 1 16 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.803 0.109 19766 10335 1 16 . 1 1 95 95 LEU H H 95 7.229 7.229 7.329 -0.100 19766 10336 1 16 . 1 1 96 96 GLN N N 96 118.873 118.873 120.049 -1.176 19766 10337 1 16 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.136 -0.043 19766 10338 1 16 . 1 1 96 96 GLN C C 96 177.668 177.668 177.327 0.341 19766 10339 1 16 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.156 1.554 19766 10340 1 16 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.341 0.640 19766 10341 1 16 . 1 1 96 96 GLN H H 96 7.390 7.390 7.379 0.011 19766 10342 1 16 . 1 1 97 97 LYS N N 97 116.416 116.416 119.228 -2.812 19766 10343 1 16 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.047 0.070 19766 10344 1 16 . 1 1 97 97 LYS C C 97 179.237 179.237 178.965 0.272 19766 10345 1 16 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.465 0.928 19766 10346 1 16 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.497 0.019 19766 10347 1 16 . 1 1 97 97 LYS H H 97 8.595 8.595 8.193 0.402 19766 10348 1 16 . 1 1 98 98 TYR N N 98 123.922 123.922 121.091 2.831 19766 10349 1 16 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.145 -0.008 19766 10350 1 16 . 1 1 98 98 TYR C C 98 177.309 177.309 177.319 -0.010 19766 10351 1 16 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.032 0.196 19766 10352 1 16 . 1 1 98 98 TYR CB C 98 37.290 37.290 37.973 -0.683 19766 10353 1 16 . 1 1 98 98 TYR H H 98 7.558 7.558 7.666 -0.108 19766 10354 1 16 . 1 1 99 99 TYR N N 99 118.047 118.047 117.473 0.574 19766 10355 1 16 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.953 1.155 19766 10356 1 16 . 1 1 99 99 TYR CA C 99 57.898 57.898 60.352 -2.454 19766 10357 1 16 . 1 1 99 99 TYR CB C 99 37.222 37.222 37.973 -0.751 19766 10358 1 16 . 1 1 99 99 TYR H H 99 8.624 8.624 7.158 1.466 19766 10359 1 16 . 1 1 100 100 GLU N N 100 118.804 118.804 118.848 -0.044 19766 10360 1 16 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.969 0.097 19766 10361 1 16 . 1 1 100 100 GLU C C 100 178.595 178.595 178.465 0.130 19766 10362 1 16 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.358 0.127 19766 10363 1 16 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.155 0.640 19766 10364 1 16 . 1 1 100 100 GLU H H 100 8.348 8.348 8.373 -0.025 19766 10365 1 16 . 1 1 101 101 ALA N N 101 123.315 123.315 122.267 1.048 19766 10366 1 16 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.014 0.281 19766 10367 1 16 . 1 1 101 101 ALA C C 101 181.438 181.438 179.780 1.658 19766 10368 1 16 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.955 -0.096 19766 10369 1 16 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.450 0.228 19766 10370 1 16 . 1 1 101 101 ALA H H 101 7.963 7.963 7.882 0.081 19766 10371 1 16 . 1 1 102 102 VAL N N 102 120.092 120.092 118.196 1.896 19766 10372 1 16 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.590 0.187 19766 10373 1 16 . 1 1 102 102 VAL C C 102 176.958 176.958 178.461 -1.503 19766 10374 1 16 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.031 1.374 19766 10375 1 16 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.145 0.691 19766 10376 1 16 . 1 1 102 102 VAL H H 102 8.321 8.321 7.635 0.686 19766 10377 1 16 . 1 1 103 103 LYS N N 103 120.226 120.226 118.375 1.851 19766 10378 1 16 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.142 -0.216 19766 10379 1 16 . 1 1 103 103 LYS C C 103 178.354 178.354 178.630 -0.276 19766 10380 1 16 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.053 0.630 19766 10381 1 16 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.971 0.205 19766 10382 1 16 . 1 1 103 103 LYS H H 103 8.266 8.266 7.828 0.438 19766 10383 1 16 . 1 1 104 104 GLU N N 104 116.521 116.521 120.051 -3.530 19766 10384 1 16 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.141 -0.180 19766 10385 1 16 . 1 1 104 104 GLU C C 104 178.628 178.628 178.055 0.573 19766 10386 1 16 . 1 1 104 104 GLU CA C 104 59.110 59.110 58.758 0.352 19766 10387 1 16 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.871 0.854 19766 10388 1 16 . 1 1 104 104 GLU H H 104 8.027 8.027 8.452 -0.425 19766 10389 1 16 . 1 1 105 105 GLU N N 105 118.569 118.569 117.818 0.751 19766 10390 1 16 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.263 -0.363 19766 10391 1 16 . 1 1 105 105 GLU C C 105 178.399 178.399 178.447 -0.048 19766 10392 1 16 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.732 0.533 19766 10393 1 16 . 1 1 105 105 GLU CB C 105 29.773 29.773 30.065 -0.292 19766 10394 1 16 . 1 1 105 105 GLU H H 105 7.225 7.225 7.657 -0.432 19766 10395 1 16 . 1 1 106 106 LEU N N 106 116.938 116.938 119.197 -2.259 19766 10396 1 16 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.148 -0.115 19766 10397 1 16 . 1 1 106 106 LEU C C 106 179.770 179.770 179.160 0.610 19766 10398 1 16 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.184 -0.258 19766 10399 1 16 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.143 -1.858 19766 10400 1 16 . 1 1 106 106 LEU H H 106 8.273 8.273 7.273 1.000 19766 10401 1 16 . 1 1 107 107 ASP N N 107 119.855 119.855 119.552 0.303 19766 10402 1 16 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.328 0.220 19766 10403 1 16 . 1 1 107 107 ASP C C 107 177.891 177.891 177.849 0.042 19766 10404 1 16 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.736 -1.803 19766 10405 1 16 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.785 -0.071 19766 10406 1 16 . 1 1 107 107 ASP H H 107 8.286 8.286 8.783 -0.497 19766 10407 1 16 . 1 1 108 108 ARG N N 108 118.853 118.853 115.906 2.947 19766 10408 1 16 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.105 -0.024 19766 10409 1 16 . 1 1 108 108 ARG C C 108 177.325 177.325 177.713 -0.388 19766 10410 1 16 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.781 0.228 19766 10411 1 16 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.375 1.029 19766 10412 1 16 . 1 1 108 108 ARG H H 108 7.406 7.406 7.676 -0.270 19766 10413 1 16 . 1 1 109 109 ASP N N 109 119.636 119.636 118.403 1.233 19766 10414 1 16 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.554 -0.019 19766 10415 1 16 . 1 1 109 109 ASP C C 109 176.758 176.758 177.569 -0.811 19766 10416 1 16 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.948 -0.710 19766 10417 1 16 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.907 -1.162 19766 10418 1 16 . 1 1 109 109 ASP H H 109 7.853 7.853 7.697 0.156 19766 10419 1 16 . 1 1 110 110 ILE N N 110 119.905 119.905 119.827 0.078 19766 10420 1 16 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.903 0.201 19766 10421 1 16 . 1 1 110 110 ILE C C 110 176.642 176.642 177.128 -0.486 19766 10422 1 16 . 1 1 110 110 ILE CA C 110 61.776 61.776 64.014 -2.238 19766 10423 1 16 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.728 -0.274 19766 10424 1 16 . 1 1 110 110 ILE H H 110 7.623 7.623 7.420 0.203 19766 10425 1 16 . 1 1 111 111 VAL N N 111 122.938 122.938 121.378 1.560 19766 10426 1 16 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.986 0.092 19766 10427 1 16 . 1 1 111 111 VAL C C 111 176.668 176.668 174.782 1.886 19766 10428 1 16 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.386 0.651 19766 10429 1 16 . 1 1 111 111 VAL CB C 111 32.482 32.482 31.515 0.967 19766 10430 1 16 . 1 1 111 111 VAL H H 111 8.043 8.043 8.065 -0.022 19766 10431 1 16 . 1 1 112 112 SER N N 112 118.345 118.345 123.487 -5.142 19766 10432 1 16 . 1 1 112 112 SER HA H 112 4.417 4.417 4.544 -0.127 19766 10433 1 16 . 1 1 112 112 SER C C 112 174.925 174.925 173.745 1.180 19766 10434 1 16 . 1 1 112 112 SER CA C 112 58.848 58.848 57.330 1.518 19766 10435 1 16 . 1 1 112 112 SER CB C 112 63.551 63.551 64.315 -0.764 19766 10436 1 16 . 1 1 112 112 SER H H 112 8.210 8.210 8.004 0.206 19766 10437 1 16 . 1 1 113 113 LYS N N 113 122.729 122.729 121.324 1.405 19766 10438 1 16 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.209 0.109 19766 10439 1 16 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.679 -0.083 19766 10440 1 16 . 1 1 113 113 LYS CB C 113 32.846 32.846 31.996 0.850 19766 10441 1 16 . 1 1 113 113 LYS H H 113 8.295 8.295 8.346 -0.051 19766 10442 1 16 . 1 1 114 114 ASN N N 114 119.243 119.243 122.994 -3.751 19766 10443 1 16 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.434 0.244 19766 10444 1 16 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.916 -0.433 19766 10445 1 16 . 1 1 114 114 ASN CB C 114 38.858 38.858 37.944 0.914 19766 10446 1 16 . 1 1 114 114 ASN H H 114 8.372 8.372 8.952 -0.580 19766 10447 1 16 . 1 1 115 115 ASN N N 115 119.155 119.155 120.988 -1.833 19766 10448 1 16 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.806 -0.124 19766 10449 1 16 . 1 1 115 115 ASN C C 115 174.877 174.877 173.900 0.977 19766 10450 1 16 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.810 -0.327 19766 10451 1 16 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.896 -1.038 19766 10452 1 16 . 1 1 115 115 ASN H H 115 8.372 8.372 8.676 -0.304 19766 10453 1 16 . 1 1 116 116 ALA N N 116 123.743 123.743 125.353 -1.610 19766 10454 1 16 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.522 -0.194 19766 10455 1 16 . 1 1 116 116 ALA C C 116 177.574 177.574 176.294 1.280 19766 10456 1 16 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.388 0.305 19766 10457 1 16 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.816 -0.469 19766 10458 1 16 . 1 1 116 116 ALA H H 116 8.116 8.116 8.205 -0.089 19766 10459 1 16 . 1 1 117 117 GLU N N 117 120.161 120.161 122.498 -2.337 19766 10460 1 16 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.502 -0.229 19766 10461 1 16 . 1 1 117 117 GLU C C 117 175.557 175.557 175.792 -0.235 19766 10462 1 16 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.152 0.507 19766 10463 1 16 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.166 -0.012 19766 10464 1 16 . 1 1 117 117 GLU H H 117 8.220 8.220 8.613 -0.393 19766 10465 1 17 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.462 -0.122 19766 10466 1 17 . 1 1 2 2 ALA C C 2 177.830 177.830 176.748 1.082 19766 10467 1 17 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.515 1.178 19766 10468 1 17 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.381 -0.022 19766 10469 1 17 . 1 1 3 3 MET N N 3 119.580 119.580 125.239 -5.659 19766 10470 1 17 . 1 1 3 3 MET HA H 3 4.482 4.482 4.559 -0.077 19766 10471 1 17 . 1 1 3 3 MET C C 3 176.714 176.714 176.126 0.588 19766 10472 1 17 . 1 1 3 3 MET CA C 3 55.590 55.590 55.874 -0.284 19766 10473 1 17 . 1 1 3 3 MET CB C 3 32.922 32.922 33.413 -0.492 19766 10474 1 17 . 1 1 3 3 MET H H 3 8.451 8.451 8.674 -0.223 19766 10475 1 17 . 1 1 4 4 GLY N N 4 109.951 109.951 112.550 -2.599 19766 10476 1 17 . 1 1 4 4 GLY C C 4 174.082 174.082 174.619 -0.537 19766 10477 1 17 . 1 1 4 4 GLY CA C 4 45.466 45.466 46.127 -0.661 19766 10478 1 17 . 1 1 4 4 GLY H H 4 8.400 8.400 9.822 -1.422 19766 10479 1 17 . 1 1 5 5 ASN N N 5 118.667 118.667 119.950 -1.283 19766 10480 1 17 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.636 0.048 19766 10481 1 17 . 1 1 5 5 ASN C C 5 175.489 175.489 175.458 0.031 19766 10482 1 17 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.817 -1.316 19766 10483 1 17 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.253 0.713 19766 10484 1 17 . 1 1 5 5 ASN H H 5 8.378 8.378 8.762 -0.384 19766 10485 1 17 . 1 1 6 6 GLU N N 6 120.908 120.908 118.497 2.411 19766 10486 1 17 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.160 0.006 19766 10487 1 17 . 1 1 6 6 GLU C C 6 176.336 176.336 175.632 0.704 19766 10488 1 17 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.588 -0.319 19766 10489 1 17 . 1 1 6 6 GLU CB C 6 29.736 29.736 30.127 -0.391 19766 10490 1 17 . 1 1 6 6 GLU H H 6 8.620 8.620 8.347 0.273 19766 10491 1 17 . 1 1 7 7 TYR N N 7 120.339 120.339 117.464 2.875 19766 10492 1 17 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.551 -0.051 19766 10493 1 17 . 1 1 7 7 TYR C C 7 175.808 175.808 174.855 0.953 19766 10494 1 17 . 1 1 7 7 TYR CA C 7 58.151 58.151 57.817 0.334 19766 10495 1 17 . 1 1 7 7 TYR CB C 7 38.194 38.194 40.877 -2.683 19766 10496 1 17 . 1 1 7 7 TYR H H 7 8.045 8.045 7.760 0.285 19766 10497 1 17 . 1 1 8 8 LYS N N 8 121.700 121.700 119.929 1.771 19766 10498 1 17 . 1 1 8 8 LYS HA H 8 4.150 4.150 3.957 0.193 19766 10499 1 17 . 1 1 8 8 LYS C C 8 175.868 175.868 176.157 -0.289 19766 10500 1 17 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.394 0.168 19766 10501 1 17 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.941 0.217 19766 10502 1 17 . 1 1 8 8 LYS H H 8 7.829 7.829 8.539 -0.710 19766 10503 1 17 . 1 1 9 9 ASP N N 9 119.811 119.811 118.477 1.334 19766 10504 1 17 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.642 -0.004 19766 10505 1 17 . 1 1 9 9 ASP C C 9 175.972 175.972 175.843 0.129 19766 10506 1 17 . 1 1 9 9 ASP CA C 9 54.624 54.624 55.016 -0.392 19766 10507 1 17 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.443 1.096 19766 10508 1 17 . 1 1 9 9 ASP H H 9 8.137 8.137 8.278 -0.141 19766 10509 1 17 . 1 1 10 10 ASN N N 10 119.794 119.794 118.890 0.904 19766 10510 1 17 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.190 -0.218 19766 10511 1 17 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.862 -0.017 19766 10512 1 17 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.919 -0.160 19766 10513 1 17 . 1 1 10 10 ASN H H 10 8.292 8.292 7.914 0.378 19766 10514 1 17 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.363 0.240 19766 10515 1 17 . 1 1 11 11 ALA CA C 11 53.249 53.249 53.404 -0.155 19766 10516 1 17 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.469 -0.281 19766 10517 1 17 . 1 1 12 12 TYR N N 12 118.889 118.889 117.678 1.211 19766 10518 1 17 . 1 1 12 12 TYR HA H 12 5.144 5.144 4.893 0.251 19766 10519 1 17 . 1 1 12 12 TYR C C 12 177.773 177.773 175.564 2.209 19766 10520 1 17 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.588 -1.405 19766 10521 1 17 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.247 3.335 19766 10522 1 17 . 1 1 12 12 TYR H H 12 8.057 8.057 7.581 0.476 19766 10523 1 17 . 1 1 13 13 ILE N N 13 112.765 112.765 119.214 -6.449 19766 10524 1 17 . 1 1 13 13 ILE HA H 13 5.154 5.154 4.898 0.256 19766 10525 1 17 . 1 1 13 13 ILE C C 13 174.312 174.312 174.652 -0.340 19766 10526 1 17 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.345 0.691 19766 10527 1 17 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.276 -0.380 19766 10528 1 17 . 1 1 13 13 ILE H H 13 9.310 9.310 9.320 -0.010 19766 10529 1 17 . 1 1 14 14 TYR N N 14 124.417 124.417 128.225 -3.808 19766 10530 1 17 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.846 -0.139 19766 10531 1 17 . 1 1 14 14 TYR C C 14 173.058 173.058 174.049 -0.991 19766 10532 1 17 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.509 -1.297 19766 10533 1 17 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.591 0.628 19766 10534 1 17 . 1 1 14 14 TYR H H 14 9.252 9.252 8.843 0.409 19766 10535 1 17 . 1 1 15 15 ILE N N 15 127.660 127.660 128.517 -0.857 19766 10536 1 17 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.103 -0.838 19766 10537 1 17 . 1 1 15 15 ILE C C 15 173.705 173.705 174.511 -0.806 19766 10538 1 17 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.479 0.007 19766 10539 1 17 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.259 0.743 19766 10540 1 17 . 1 1 15 15 ILE H H 15 8.558 8.558 8.665 -0.107 19766 10541 1 17 . 1 1 16 16 GLY N N 16 112.792 112.792 111.890 0.902 19766 10542 1 17 . 1 1 16 16 GLY C C 16 173.110 173.110 172.852 0.258 19766 10543 1 17 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.924 0.325 19766 10544 1 17 . 1 1 16 16 GLY H H 16 9.516 9.516 8.775 0.741 19766 10545 1 17 . 1 1 17 17 ASN N N 17 115.139 115.139 116.076 -0.937 19766 10546 1 17 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.172 0.224 19766 10547 1 17 . 1 1 17 17 ASN C C 17 174.854 174.854 174.822 0.032 19766 10548 1 17 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.823 -0.587 19766 10549 1 17 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.266 -0.333 19766 10550 1 17 . 1 1 17 17 ASN H H 17 8.511 8.511 8.110 0.401 19766 10551 1 17 . 1 1 18 18 LEU N N 18 114.660 114.660 118.726 -4.066 19766 10552 1 17 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.334 -0.298 19766 10553 1 17 . 1 1 18 18 LEU C C 18 178.161 178.161 176.752 1.409 19766 10554 1 17 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.575 -0.691 19766 10555 1 17 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.080 -0.518 19766 10556 1 17 . 1 1 18 18 LEU H H 18 7.839 7.839 7.497 0.342 19766 10557 1 17 . 1 1 19 19 ASN N N 19 122.707 122.707 119.618 3.089 19766 10558 1 17 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.552 -0.189 19766 10559 1 17 . 1 1 19 19 ASN C C 19 178.037 178.037 176.750 1.287 19766 10560 1 17 . 1 1 19 19 ASN CA C 19 54.604 54.604 54.126 0.478 19766 10561 1 17 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.141 -0.329 19766 10562 1 17 . 1 1 19 19 ASN H H 19 8.779 8.779 8.564 0.215 19766 10563 1 17 . 1 1 20 20 ARG N N 20 128.724 128.724 122.200 6.524 19766 10564 1 17 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.996 -0.143 19766 10565 1 17 . 1 1 20 20 ARG C C 20 175.612 175.612 176.277 -0.665 19766 10566 1 17 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.820 -0.046 19766 10567 1 17 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.062 -0.378 19766 10568 1 17 . 1 1 20 20 ARG H H 20 8.954 8.954 8.854 0.100 19766 10569 1 17 . 1 1 21 21 GLU N N 21 117.609 117.609 114.821 2.788 19766 10570 1 17 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.213 0.060 19766 10571 1 17 . 1 1 21 21 GLU C C 21 177.285 177.285 176.323 0.962 19766 10572 1 17 . 1 1 21 21 GLU CA C 21 56.782 56.782 55.990 0.792 19766 10573 1 17 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.688 1.810 19766 10574 1 17 . 1 1 21 21 GLU H H 21 9.092 9.092 8.250 0.842 19766 10575 1 17 . 1 1 22 22 LEU N N 22 116.169 116.169 121.759 -5.590 19766 10576 1 17 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.507 0.049 19766 10577 1 17 . 1 1 22 22 LEU C C 22 178.328 178.328 176.600 1.728 19766 10578 1 17 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.755 0.901 19766 10579 1 17 . 1 1 22 22 LEU CB C 22 42.226 42.226 42.456 -0.230 19766 10580 1 17 . 1 1 22 22 LEU H H 22 7.208 7.208 7.479 -0.271 19766 10581 1 17 . 1 1 23 23 THR N N 23 113.733 113.733 117.115 -3.382 19766 10582 1 17 . 1 1 23 23 THR HA H 23 4.349 4.349 4.805 -0.456 19766 10583 1 17 . 1 1 23 23 THR C C 23 175.225 175.225 175.478 -0.253 19766 10584 1 17 . 1 1 23 23 THR CA C 23 59.960 59.960 59.442 0.518 19766 10585 1 17 . 1 1 23 23 THR CB C 23 72.172 72.172 71.302 0.870 19766 10586 1 17 . 1 1 23 23 THR H H 23 8.732 8.732 9.297 -0.565 19766 10587 1 17 . 1 1 24 24 GLU N N 24 119.838 119.838 122.059 -2.221 19766 10588 1 17 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.098 -0.441 19766 10589 1 17 . 1 1 24 24 GLU C C 24 178.983 178.983 179.025 -0.042 19766 10590 1 17 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.615 2.956 19766 10591 1 17 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.217 -1.871 19766 10592 1 17 . 1 1 24 24 GLU H H 24 9.761 9.761 8.898 0.863 19766 10593 1 17 . 1 1 25 25 GLY N N 25 104.462 104.462 107.120 -2.658 19766 10594 1 17 . 1 1 25 25 GLY C C 25 175.139 175.139 176.076 -0.937 19766 10595 1 17 . 1 1 25 25 GLY CA C 25 47.605 47.605 47.062 0.543 19766 10596 1 17 . 1 1 25 25 GLY H H 25 8.486 8.486 8.712 -0.226 19766 10597 1 17 . 1 1 26 26 ASP N N 26 123.296 123.296 122.498 0.798 19766 10598 1 17 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.415 0.155 19766 10599 1 17 . 1 1 26 26 ASP C C 26 178.135 178.135 178.625 -0.490 19766 10600 1 17 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.804 0.008 19766 10601 1 17 . 1 1 26 26 ASP CB C 26 41.885 41.885 40.774 1.111 19766 10602 1 17 . 1 1 26 26 ASP H H 26 7.960 7.960 7.710 0.250 19766 10603 1 17 . 1 1 27 27 ILE N N 27 118.853 118.853 120.807 -1.954 19766 10604 1 17 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.831 -0.224 19766 10605 1 17 . 1 1 27 27 ILE C C 27 178.424 178.424 178.120 0.304 19766 10606 1 17 . 1 1 27 27 ILE CA C 27 65.741 65.741 64.572 1.169 19766 10607 1 17 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.743 -0.031 19766 10608 1 17 . 1 1 27 27 ILE H H 27 8.159 8.159 7.172 0.987 19766 10609 1 17 . 1 1 28 28 LEU N N 28 118.549 118.549 120.263 -1.714 19766 10610 1 17 . 1 1 28 28 LEU HA H 28 3.904 3.904 4.048 -0.144 19766 10611 1 17 . 1 1 28 28 LEU C C 28 180.057 180.057 179.544 0.513 19766 10612 1 17 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.041 0.490 19766 10613 1 17 . 1 1 28 28 LEU CB C 28 41.945 41.945 40.257 1.688 19766 10614 1 17 . 1 1 28 28 LEU H H 28 8.414 8.414 8.266 0.148 19766 10615 1 17 . 1 1 29 29 THR N N 29 122.156 122.156 114.952 7.204 19766 10616 1 17 . 1 1 29 29 THR HA H 29 4.032 4.032 3.937 0.095 19766 10617 1 17 . 1 1 29 29 THR C C 29 175.113 175.113 176.269 -1.156 19766 10618 1 17 . 1 1 29 29 THR CA C 29 66.754 66.754 66.308 0.445 19766 10619 1 17 . 1 1 29 29 THR CB C 29 68.490 68.490 68.810 -0.320 19766 10620 1 17 . 1 1 29 29 THR H H 29 8.715 8.715 7.959 0.756 19766 10621 1 17 . 1 1 30 30 VAL N N 30 116.487 116.487 119.547 -3.060 19766 10622 1 17 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.754 0.077 19766 10623 1 17 . 1 1 30 30 VAL C C 30 179.968 179.968 177.757 2.211 19766 10624 1 17 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.884 -0.369 19766 10625 1 17 . 1 1 30 30 VAL CB C 30 33.044 33.044 32.135 0.909 19766 10626 1 17 . 1 1 30 30 VAL H H 30 7.713 7.713 7.595 0.118 19766 10627 1 17 . 1 1 31 31 PHE N N 31 113.658 113.658 118.972 -5.314 19766 10628 1 17 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.442 -0.575 19766 10629 1 17 . 1 1 31 31 PHE C C 31 179.577 179.577 178.134 1.443 19766 10630 1 17 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.118 2.285 19766 10631 1 17 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.236 -0.923 19766 10632 1 17 . 1 1 31 31 PHE H H 31 8.876 8.876 9.177 -0.301 19766 10633 1 17 . 1 1 32 32 SER N N 32 118.635 118.635 116.046 2.589 19766 10634 1 17 . 1 1 32 32 SER HA H 32 5.381 5.381 4.560 0.821 19766 10635 1 17 . 1 1 32 32 SER C C 32 172.662 172.662 176.608 -3.946 19766 10636 1 17 . 1 1 32 32 SER CA C 32 61.338 61.338 59.382 1.956 19766 10637 1 17 . 1 1 32 32 SER CB C 32 63.875 63.875 62.552 1.323 19766 10638 1 17 . 1 1 32 32 SER H H 32 8.106 8.106 8.373 -0.267 19766 10639 1 17 . 1 1 33 33 GLU N N 33 121.234 121.234 122.100 -0.866 19766 10640 1 17 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.908 -1.751 19766 10641 1 17 . 1 1 33 33 GLU C C 33 174.223 174.223 176.920 -2.697 19766 10642 1 17 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.097 1.543 19766 10643 1 17 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.322 -1.490 19766 10644 1 17 . 1 1 33 33 GLU H H 33 6.964 6.964 7.502 -0.538 19766 10645 1 17 . 1 1 34 34 TYR N N 34 107.930 107.930 118.110 -10.180 19766 10646 1 17 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.539 -0.386 19766 10647 1 17 . 1 1 34 34 TYR C C 34 173.208 173.208 174.929 -1.721 19766 10648 1 17 . 1 1 34 34 TYR CA C 34 57.329 57.329 56.791 0.538 19766 10649 1 17 . 1 1 34 34 TYR CB C 34 38.878 38.878 37.841 1.037 19766 10650 1 17 . 1 1 34 34 TYR H H 34 6.229 6.229 7.367 -1.138 19766 10651 1 17 . 1 1 35 35 GLY N N 35 103.542 103.542 107.538 -3.996 19766 10652 1 17 . 1 1 35 35 GLY C C 35 170.379 170.379 172.583 -2.204 19766 10653 1 17 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.729 -0.050 19766 10654 1 17 . 1 1 35 35 GLY H H 35 7.257 7.257 7.677 -0.420 19766 10655 1 17 . 1 1 36 36 VAL N N 36 120.446 120.446 121.310 -0.864 19766 10656 1 17 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.557 -0.053 19766 10657 1 17 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.496 0.219 19766 10658 1 17 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.557 0.474 19766 10659 1 17 . 1 1 36 36 VAL H H 36 8.438 8.438 8.076 0.362 19766 10660 1 17 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.436 0.267 19766 10661 1 17 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.791 -0.416 19766 10662 1 17 . 1 1 37 37 PRO CB C 37 32.071 32.071 32.163 -0.092 19766 10663 1 17 . 1 1 38 38 VAL N N 38 113.929 113.929 115.429 -1.500 19766 10664 1 17 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.091 0.391 19766 10665 1 17 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.453 -1.999 19766 10666 1 17 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.234 0.270 19766 10667 1 17 . 1 1 38 38 VAL H H 38 8.966 8.966 7.838 1.128 19766 10668 1 17 . 1 1 39 39 ASP N N 39 118.213 118.213 120.782 -2.569 19766 10669 1 17 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.908 -0.233 19766 10670 1 17 . 1 1 39 39 ASP C C 39 174.637 174.637 173.969 0.668 19766 10671 1 17 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.030 0.658 19766 10672 1 17 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.595 -0.788 19766 10673 1 17 . 1 1 39 39 ASP H H 39 7.500 7.500 7.894 -0.394 19766 10674 1 17 . 1 1 40 40 VAL N N 40 121.576 121.576 123.196 -1.620 19766 10675 1 17 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.093 -0.102 19766 10676 1 17 . 1 1 40 40 VAL C C 40 170.562 170.562 173.586 -3.024 19766 10677 1 17 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.364 -0.006 19766 10678 1 17 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.337 -0.118 19766 10679 1 17 . 1 1 40 40 VAL H H 40 7.657 7.657 8.486 -0.829 19766 10680 1 17 . 1 1 41 41 ILE N N 41 125.384 125.384 125.025 0.359 19766 10681 1 17 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.572 0.246 19766 10682 1 17 . 1 1 41 41 ILE C C 41 175.425 175.425 173.209 2.216 19766 10683 1 17 . 1 1 41 41 ILE CA C 41 61.490 61.490 58.756 2.734 19766 10684 1 17 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.989 1.567 19766 10685 1 17 . 1 1 41 41 ILE H H 41 8.901 8.901 9.086 -0.185 19766 10686 1 17 . 1 1 42 42 LEU N N 42 128.888 128.888 126.713 2.175 19766 10687 1 17 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.682 -0.221 19766 10688 1 17 . 1 1 42 42 LEU C C 42 174.934 174.934 176.119 -1.185 19766 10689 1 17 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.216 0.161 19766 10690 1 17 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.670 -0.131 19766 10691 1 17 . 1 1 42 42 LEU H H 42 8.344 8.344 8.284 0.060 19766 10692 1 17 . 1 1 43 43 SER N N 43 122.818 122.818 122.013 0.805 19766 10693 1 17 . 1 1 43 43 SER HA H 43 3.876 3.876 4.486 -0.610 19766 10694 1 17 . 1 1 43 43 SER C C 43 173.869 173.869 173.723 0.146 19766 10695 1 17 . 1 1 43 43 SER CA C 43 59.688 59.688 57.809 1.879 19766 10696 1 17 . 1 1 43 43 SER CB C 43 62.673 62.673 62.268 0.405 19766 10697 1 17 . 1 1 43 43 SER H H 43 8.362 8.362 9.078 -0.716 19766 10698 1 17 . 1 1 44 44 ARG N N 44 128.045 128.045 126.521 1.524 19766 10699 1 17 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.901 -0.072 19766 10700 1 17 . 1 1 44 44 ARG C C 44 175.031 175.031 175.886 -0.855 19766 10701 1 17 . 1 1 44 44 ARG CA C 44 54.062 54.062 54.754 -0.692 19766 10702 1 17 . 1 1 44 44 ARG CB C 44 34.298 34.298 32.606 1.692 19766 10703 1 17 . 1 1 44 44 ARG H H 44 8.079 8.079 7.743 0.336 19766 10704 1 17 . 1 1 45 45 ASP N N 45 123.491 123.491 121.446 2.045 19766 10705 1 17 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.574 -0.337 19766 10706 1 17 . 1 1 45 45 ASP C C 45 177.487 177.487 176.868 0.619 19766 10707 1 17 . 1 1 45 45 ASP CA C 45 54.917 54.917 53.671 1.246 19766 10708 1 17 . 1 1 45 45 ASP CB C 45 43.611 43.611 43.347 0.264 19766 10709 1 17 . 1 1 45 45 ASP H H 45 8.663 8.663 8.473 0.190 19766 10710 1 17 . 1 1 46 46 GLU N N 46 125.446 125.446 123.399 2.047 19766 10711 1 17 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.058 -0.151 19766 10712 1 17 . 1 1 46 46 GLU C C 46 175.655 175.655 177.018 -1.363 19766 10713 1 17 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.604 0.269 19766 10714 1 17 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.937 -0.283 19766 10715 1 17 . 1 1 46 46 GLU H H 46 9.007 9.007 8.785 0.222 19766 10716 1 17 . 1 1 47 47 ASN N N 47 115.343 115.343 116.904 -1.561 19766 10717 1 17 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.661 0.223 19766 10718 1 17 . 1 1 47 47 ASN C C 47 176.665 176.665 177.196 -0.531 19766 10719 1 17 . 1 1 47 47 ASN CA C 47 54.939 54.939 55.115 -0.176 19766 10720 1 17 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.287 0.943 19766 10721 1 17 . 1 1 47 47 ASN H H 47 8.947 8.947 8.779 0.168 19766 10722 1 17 . 1 1 48 48 THR N N 48 107.604 107.604 113.387 -5.783 19766 10723 1 17 . 1 1 48 48 THR HA H 48 4.468 4.468 4.405 0.063 19766 10724 1 17 . 1 1 48 48 THR C C 48 176.465 176.465 175.851 0.614 19766 10725 1 17 . 1 1 48 48 THR CA C 48 61.555 61.555 62.707 -1.152 19766 10726 1 17 . 1 1 48 48 THR CB C 48 71.342 71.342 69.951 1.391 19766 10727 1 17 . 1 1 48 48 THR H H 48 8.450 8.450 8.111 0.339 19766 10728 1 17 . 1 1 49 49 GLY N N 49 111.809 111.809 109.524 2.285 19766 10729 1 17 . 1 1 49 49 GLY C C 49 173.193 173.193 173.278 -0.085 19766 10730 1 17 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.635 0.088 19766 10731 1 17 . 1 1 49 49 GLY H H 49 8.632 8.632 7.702 0.930 19766 10732 1 17 . 1 1 50 50 GLU N N 50 120.089 120.089 118.221 1.868 19766 10733 1 17 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.391 -0.258 19766 10734 1 17 . 1 1 50 50 GLU C C 50 176.586 176.586 176.357 0.229 19766 10735 1 17 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.423 2.109 19766 10736 1 17 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.976 0.108 19766 10737 1 17 . 1 1 50 50 GLU H H 50 7.825 7.825 7.952 -0.127 19766 10738 1 17 . 1 1 51 51 SER N N 51 115.686 115.686 117.207 -1.521 19766 10739 1 17 . 1 1 51 51 SER HA H 51 4.273 4.273 4.267 0.006 19766 10740 1 17 . 1 1 51 51 SER C C 51 176.516 176.516 174.904 1.612 19766 10741 1 17 . 1 1 51 51 SER CA C 51 58.415 58.415 59.397 -0.982 19766 10742 1 17 . 1 1 51 51 SER CB C 51 64.668 64.668 63.434 1.234 19766 10743 1 17 . 1 1 51 51 SER H H 51 8.871 8.871 8.811 0.060 19766 10744 1 17 . 1 1 52 52 GLN N N 52 123.284 123.284 124.242 -0.958 19766 10745 1 17 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.472 0.019 19766 10746 1 17 . 1 1 52 52 GLN C C 52 177.471 177.471 176.345 1.126 19766 10747 1 17 . 1 1 52 52 GLN CA C 52 55.147 55.147 55.626 -0.479 19766 10748 1 17 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.423 0.457 19766 10749 1 17 . 1 1 52 52 GLN H H 52 9.103 9.103 9.048 0.055 19766 10750 1 17 . 1 1 53 53 GLY N N 53 105.865 105.865 105.692 0.173 19766 10751 1 17 . 1 1 53 53 GLY C C 53 172.010 172.010 173.258 -1.248 19766 10752 1 17 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.993 1.652 19766 10753 1 17 . 1 1 53 53 GLY H H 53 8.888 8.888 8.545 0.343 19766 10754 1 17 . 1 1 54 54 PHE N N 54 112.097 112.097 119.021 -6.924 19766 10755 1 17 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.203 0.143 19766 10756 1 17 . 1 1 54 54 PHE C C 54 171.548 171.548 173.408 -1.860 19766 10757 1 17 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.861 -0.190 19766 10758 1 17 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.844 -2.164 19766 10759 1 17 . 1 1 54 54 PHE H H 54 6.879 6.879 7.286 -0.407 19766 10760 1 17 . 1 1 55 55 ALA N N 55 122.332 122.332 120.903 1.429 19766 10761 1 17 . 1 1 55 55 ALA HA H 55 5.123 5.123 5.021 0.102 19766 10762 1 17 . 1 1 55 55 ALA C C 55 173.074 173.074 174.567 -1.493 19766 10763 1 17 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.812 -1.283 19766 10764 1 17 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.690 3.049 19766 10765 1 17 . 1 1 55 55 ALA H H 55 9.051 9.051 8.851 0.200 19766 10766 1 17 . 1 1 56 56 TYR N N 56 115.022 115.022 116.917 -1.895 19766 10767 1 17 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.862 -0.188 19766 10768 1 17 . 1 1 56 56 TYR C C 56 175.292 175.292 174.356 0.936 19766 10769 1 17 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.568 -0.987 19766 10770 1 17 . 1 1 56 56 TYR CB C 56 42.347 42.347 43.019 -0.672 19766 10771 1 17 . 1 1 56 56 TYR H H 56 9.007 9.007 9.159 -0.152 19766 10772 1 17 . 1 1 57 57 LEU N N 57 122.695 122.695 121.893 0.802 19766 10773 1 17 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.298 -0.539 19766 10774 1 17 . 1 1 57 57 LEU C C 57 172.173 172.173 174.018 -1.845 19766 10775 1 17 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.987 0.829 19766 10776 1 17 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.574 0.332 19766 10777 1 17 . 1 1 57 57 LEU H H 57 8.648 8.648 8.961 -0.313 19766 10778 1 17 . 1 1 58 58 LYS N N 58 125.954 125.954 120.153 5.801 19766 10779 1 17 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.734 -0.269 19766 10780 1 17 . 1 1 58 58 LYS C C 58 174.900 174.900 173.910 0.990 19766 10781 1 17 . 1 1 58 58 LYS CA C 58 54.623 54.623 55.323 -0.700 19766 10782 1 17 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.574 0.972 19766 10783 1 17 . 1 1 58 58 LYS H H 58 7.948 7.948 8.914 -0.966 19766 10784 1 17 . 1 1 59 59 TYR N N 59 126.396 126.396 124.243 2.153 19766 10785 1 17 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.628 0.472 19766 10786 1 17 . 1 1 59 59 TYR CA C 59 57.974 57.974 56.916 1.058 19766 10787 1 17 . 1 1 59 59 TYR CB C 59 42.498 42.498 41.183 1.315 19766 10788 1 17 . 1 1 59 59 TYR H H 59 9.007 9.007 8.259 0.748 19766 10789 1 17 . 1 1 60 60 GLU N N 60 120.848 120.848 128.241 -7.393 19766 10790 1 17 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.267 -0.394 19766 10791 1 17 . 1 1 60 60 GLU C C 60 175.081 175.081 175.176 -0.095 19766 10792 1 17 . 1 1 60 60 GLU CA C 60 59.053 59.053 56.121 2.932 19766 10793 1 17 . 1 1 60 60 GLU CB C 60 30.867 30.867 28.326 2.542 19766 10794 1 17 . 1 1 60 60 GLU H H 60 8.973 8.973 8.255 0.718 19766 10795 1 17 . 1 1 61 61 ASP N N 61 117.604 117.604 124.931 -7.327 19766 10796 1 17 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.673 0.193 19766 10797 1 17 . 1 1 61 61 ASP C C 61 176.598 176.598 175.650 0.948 19766 10798 1 17 . 1 1 61 61 ASP CA C 61 51.112 51.112 54.871 -3.759 19766 10799 1 17 . 1 1 61 61 ASP CB C 61 43.424 43.424 41.838 1.586 19766 10800 1 17 . 1 1 61 61 ASP H H 61 8.017 8.017 8.310 -0.293 19766 10801 1 17 . 1 1 62 62 GLN N N 62 126.427 126.427 126.823 -0.396 19766 10802 1 17 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.205 0.065 19766 10803 1 17 . 1 1 62 62 GLN C C 62 178.514 178.514 176.952 1.562 19766 10804 1 17 . 1 1 62 62 GLN CA C 62 58.505 58.505 59.062 -0.556 19766 10805 1 17 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.933 -0.960 19766 10806 1 17 . 1 1 62 62 GLN H H 62 9.007 9.007 8.963 0.045 19766 10807 1 17 . 1 1 63 63 ARG N N 63 121.369 121.369 120.001 1.368 19766 10808 1 17 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.214 -0.494 19766 10809 1 17 . 1 1 63 63 ARG C C 63 178.566 178.566 178.803 -0.237 19766 10810 1 17 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.498 0.584 19766 10811 1 17 . 1 1 63 63 ARG H H 63 9.013 9.013 8.194 0.819 19766 10812 1 17 . 1 1 64 64 SER N N 64 115.216 115.216 116.750 -1.534 19766 10813 1 17 . 1 1 64 64 SER HA H 64 3.746 3.746 4.205 -0.459 19766 10814 1 17 . 1 1 64 64 SER C C 64 175.695 175.695 176.284 -0.589 19766 10815 1 17 . 1 1 64 64 SER CA C 64 63.651 63.651 61.719 1.932 19766 10816 1 17 . 1 1 64 64 SER H H 64 8.207 8.207 8.948 -0.742 19766 10817 1 17 . 1 1 65 65 THR N N 65 111.402 111.402 120.374 -8.972 19766 10818 1 17 . 1 1 65 65 THR HA H 65 3.785 3.785 4.015 -0.230 19766 10819 1 17 . 1 1 65 65 THR C C 65 175.556 175.556 176.404 -0.848 19766 10820 1 17 . 1 1 65 65 THR CA C 65 66.178 66.178 67.329 -1.151 19766 10821 1 17 . 1 1 65 65 THR CB C 65 68.414 68.414 68.833 -0.419 19766 10822 1 17 . 1 1 65 65 THR H H 65 7.640 7.640 7.514 0.126 19766 10823 1 17 . 1 1 66 66 ILE N N 66 122.905 122.905 122.032 0.873 19766 10824 1 17 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.871 -0.169 19766 10825 1 17 . 1 1 66 66 ILE C C 66 177.292 177.292 177.734 -0.442 19766 10826 1 17 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.172 -0.918 19766 10827 1 17 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.715 0.684 19766 10828 1 17 . 1 1 66 66 ILE H H 66 6.702 6.702 7.995 -1.293 19766 10829 1 17 . 1 1 67 67 LEU N N 67 114.425 114.425 121.273 -6.848 19766 10830 1 17 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.842 -0.112 19766 10831 1 17 . 1 1 67 67 LEU C C 67 179.641 179.641 177.928 1.713 19766 10832 1 17 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.529 0.058 19766 10833 1 17 . 1 1 67 67 LEU CB C 67 41.682 41.682 40.935 0.747 19766 10834 1 17 . 1 1 67 67 LEU H H 67 6.975 6.975 8.012 -1.037 19766 10835 1 17 . 1 1 68 68 ALA N N 68 120.639 120.639 121.382 -0.743 19766 10836 1 17 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.557 -0.122 19766 10837 1 17 . 1 1 68 68 ALA C C 68 179.087 179.087 179.552 -0.465 19766 10838 1 17 . 1 1 68 68 ALA CA C 68 55.736 55.736 55.020 0.716 19766 10839 1 17 . 1 1 68 68 ALA CB C 68 19.013 19.013 17.863 1.150 19766 10840 1 17 . 1 1 68 68 ALA H H 68 8.225 8.225 7.514 0.711 19766 10841 1 17 . 1 1 69 69 VAL N N 69 118.866 118.866 117.812 1.054 19766 10842 1 17 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.578 -0.339 19766 10843 1 17 . 1 1 69 69 VAL C C 69 178.798 178.798 178.259 0.539 19766 10844 1 17 . 1 1 69 69 VAL CA C 69 67.025 67.025 67.162 -0.137 19766 10845 1 17 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.681 0.156 19766 10846 1 17 . 1 1 69 69 VAL H H 69 8.162 8.162 7.534 0.628 19766 10847 1 17 . 1 1 70 70 ASP N N 70 117.230 117.230 117.530 -0.300 19766 10848 1 17 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.411 -0.357 19766 10849 1 17 . 1 1 70 70 ASP C C 70 178.297 178.297 177.230 1.067 19766 10850 1 17 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.884 0.385 19766 10851 1 17 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.385 -1.762 19766 10852 1 17 . 1 1 70 70 ASP H H 70 8.262 8.262 8.373 -0.111 19766 10853 1 17 . 1 1 71 71 ASN N N 71 111.214 111.214 115.767 -4.553 19766 10854 1 17 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.669 0.194 19766 10855 1 17 . 1 1 71 71 ASN C C 71 176.614 176.614 176.814 -0.200 19766 10856 1 17 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.556 1.046 19766 10857 1 17 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.674 1.926 19766 10858 1 17 . 1 1 71 71 ASN H H 71 7.541 7.541 7.883 -0.342 19766 10859 1 17 . 1 1 72 72 LEU N N 72 116.127 116.127 118.192 -2.065 19766 10860 1 17 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.171 0.478 19766 10861 1 17 . 1 1 72 72 LEU C C 72 177.465 177.465 176.126 1.339 19766 10862 1 17 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.495 -1.144 19766 10863 1 17 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.743 0.805 19766 10864 1 17 . 1 1 72 72 LEU H H 72 8.323 8.323 7.670 0.653 19766 10865 1 17 . 1 1 73 73 ASN N N 73 118.792 118.792 117.556 1.236 19766 10866 1 17 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.626 -0.215 19766 10867 1 17 . 1 1 73 73 ASN C C 73 177.085 177.085 176.381 0.704 19766 10868 1 17 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.698 1.856 19766 10869 1 17 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.089 1.369 19766 10870 1 17 . 1 1 73 73 ASN H H 73 6.965 6.965 7.548 -0.583 19766 10871 1 17 . 1 1 74 74 GLY N N 74 115.779 115.779 114.503 1.276 19766 10872 1 17 . 1 1 74 74 GLY C C 74 172.848 172.848 173.892 -1.044 19766 10873 1 17 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.913 0.845 19766 10874 1 17 . 1 1 74 74 GLY H H 74 9.389 9.389 8.465 0.924 19766 10875 1 17 . 1 1 75 75 PHE N N 75 123.194 123.194 122.808 0.386 19766 10876 1 17 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.428 -0.141 19766 10877 1 17 . 1 1 75 75 PHE C C 75 174.778 174.778 174.351 0.427 19766 10878 1 17 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.574 0.299 19766 10879 1 17 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.422 1.180 19766 10880 1 17 . 1 1 75 75 PHE H H 75 8.133 8.133 7.944 0.189 19766 10881 1 17 . 1 1 76 76 LYS N N 76 127.364 127.364 127.494 -0.130 19766 10882 1 17 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.903 -0.232 19766 10883 1 17 . 1 1 76 76 LYS C C 76 175.286 175.286 175.711 -0.425 19766 10884 1 17 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.440 0.812 19766 10885 1 17 . 1 1 76 76 LYS CB C 76 33.201 33.201 33.198 0.003 19766 10886 1 17 . 1 1 76 76 LYS H H 76 7.596 7.596 7.744 -0.148 19766 10887 1 17 . 1 1 77 77 ILE N N 77 120.094 120.094 127.021 -6.927 19766 10888 1 17 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.281 0.077 19766 10889 1 17 . 1 1 77 77 ILE C C 77 177.519 177.519 175.836 1.683 19766 10890 1 17 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.089 -0.586 19766 10891 1 17 . 1 1 77 77 ILE CB C 77 40.636 40.636 40.254 0.382 19766 10892 1 17 . 1 1 77 77 ILE H H 77 8.004 8.004 9.134 -1.130 19766 10893 1 17 . 1 1 78 78 GLY N N 78 119.932 119.932 116.140 3.792 19766 10894 1 17 . 1 1 78 78 GLY C C 78 175.944 175.944 175.365 0.579 19766 10895 1 17 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.169 2.050 19766 10896 1 17 . 1 1 78 78 GLY H H 78 10.183 10.183 9.073 1.110 19766 10897 1 17 . 1 1 79 79 GLY N N 79 104.505 104.505 103.890 0.615 19766 10898 1 17 . 1 1 79 79 GLY C C 79 173.347 173.347 174.091 -0.744 19766 10899 1 17 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.976 0.116 19766 10900 1 17 . 1 1 79 79 GLY H H 79 8.892 8.892 8.357 0.535 19766 10901 1 17 . 1 1 80 80 ARG N N 80 119.144 119.144 120.729 -1.585 19766 10902 1 17 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.660 0.006 19766 10903 1 17 . 1 1 80 80 ARG C C 80 174.693 174.693 173.953 0.740 19766 10904 1 17 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.371 0.307 19766 10905 1 17 . 1 1 80 80 ARG CB C 80 33.407 33.407 33.620 -0.213 19766 10906 1 17 . 1 1 80 80 ARG H H 80 7.281 7.281 7.614 -0.333 19766 10907 1 17 . 1 1 81 81 ALA N N 81 126.229 126.229 125.580 0.649 19766 10908 1 17 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.114 -0.913 19766 10909 1 17 . 1 1 81 81 ALA C C 81 176.967 176.967 177.004 -0.037 19766 10910 1 17 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.834 0.295 19766 10911 1 17 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.130 -0.930 19766 10912 1 17 . 1 1 81 81 ALA H H 81 8.673 8.673 8.396 0.277 19766 10913 1 17 . 1 1 82 82 LEU N N 82 125.471 125.471 120.690 4.781 19766 10914 1 17 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.769 -0.345 19766 10915 1 17 . 1 1 82 82 LEU C C 82 177.436 177.436 176.047 1.389 19766 10916 1 17 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.352 1.798 19766 10917 1 17 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.537 0.736 19766 10918 1 17 . 1 1 82 82 LEU H H 82 8.702 8.702 8.106 0.596 19766 10919 1 17 . 1 1 83 83 LYS N N 83 123.609 123.609 122.091 1.518 19766 10920 1 17 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.268 -0.263 19766 10921 1 17 . 1 1 83 83 LYS C C 83 174.759 174.759 175.189 -0.430 19766 10922 1 17 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.035 0.750 19766 10923 1 17 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.880 -0.435 19766 10924 1 17 . 1 1 83 83 LYS H H 83 7.853 7.853 8.715 -0.862 19766 10925 1 17 . 1 1 84 84 ILE N N 84 125.547 125.547 128.065 -2.518 19766 10926 1 17 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.446 0.253 19766 10927 1 17 . 1 1 84 84 ILE C C 84 174.989 174.989 175.517 -0.528 19766 10928 1 17 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.175 -1.756 19766 10929 1 17 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.624 -0.257 19766 10930 1 17 . 1 1 84 84 ILE H H 84 8.719 8.719 8.881 -0.162 19766 10931 1 17 . 1 1 85 85 ASP N N 85 124.650 124.650 125.817 -1.167 19766 10932 1 17 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.033 -0.029 19766 10933 1 17 . 1 1 85 85 ASP C C 85 175.302 175.302 174.460 0.842 19766 10934 1 17 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.033 0.448 19766 10935 1 17 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.593 0.876 19766 10936 1 17 . 1 1 85 85 ASP H H 85 8.826 8.826 9.144 -0.318 19766 10937 1 17 . 1 1 86 86 HIS N N 86 121.936 121.936 117.307 4.629 19766 10938 1 17 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.351 -0.648 19766 10939 1 17 . 1 1 86 86 HIS C C 86 175.216 175.216 175.120 0.096 19766 10940 1 17 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.115 1.829 19766 10941 1 17 . 1 1 86 86 HIS CB C 86 31.480 31.480 32.822 -1.342 19766 10942 1 17 . 1 1 86 86 HIS H H 86 8.909 8.909 8.734 0.175 19766 10943 1 17 . 1 1 87 87 THR N N 87 116.612 116.612 115.039 1.573 19766 10944 1 17 . 1 1 87 87 THR HA H 87 4.688 4.688 4.718 -0.030 19766 10945 1 17 . 1 1 87 87 THR CA C 87 61.030 61.030 61.234 -0.204 19766 10946 1 17 . 1 1 87 87 THR CB C 87 69.903 69.903 71.205 -1.302 19766 10947 1 17 . 1 1 87 87 THR H H 87 8.521 8.521 9.253 -0.732 19766 10948 1 17 . 1 1 88 88 PHE N N 88 123.233 123.233 124.667 -1.434 19766 10949 1 17 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.910 0.384 19766 10950 1 17 . 1 1 88 88 PHE C C 88 176.452 176.452 173.864 2.588 19766 10951 1 17 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.939 -1.006 19766 10952 1 17 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.532 0.581 19766 10953 1 17 . 1 1 88 88 PHE H H 88 8.145 8.145 8.784 -0.639 19766 10954 1 17 . 1 1 89 89 TYR N N 89 122.872 122.872 127.512 -4.640 19766 10955 1 17 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.507 -0.433 19766 10956 1 17 . 1 1 89 89 TYR C C 89 173.089 173.089 173.769 -0.680 19766 10957 1 17 . 1 1 89 89 TYR CA C 89 57.529 57.529 56.915 0.614 19766 10958 1 17 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.533 -0.725 19766 10959 1 17 . 1 1 89 89 TYR H H 89 8.242 8.242 7.954 0.288 19766 10960 1 17 . 1 1 90 90 ARG N N 90 128.867 128.867 127.585 1.282 19766 10961 1 17 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.135 0.294 19766 10962 1 17 . 1 1 90 90 ARG CA C 90 51.568 51.568 51.655 -0.087 19766 10963 1 17 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.703 1.291 19766 10964 1 17 . 1 1 90 90 ARG H H 90 7.018 7.018 7.858 -0.840 19766 10965 1 17 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.621 0.569 19766 10966 1 17 . 1 1 91 91 PRO C C 91 176.284 176.284 176.001 0.283 19766 10967 1 17 . 1 1 91 91 PRO CA C 91 62.489 62.489 61.964 0.525 19766 10968 1 17 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.301 1.746 19766 10969 1 17 . 1 1 92 92 LYS N N 92 119.987 119.987 124.613 -4.626 19766 10970 1 17 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.020 0.662 19766 10971 1 17 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.672 -1.985 19766 10972 1 17 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.195 1.864 19766 10973 1 17 . 1 1 92 92 LYS H H 92 8.672 8.672 7.661 1.011 19766 10974 1 17 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.141 0.033 19766 10975 1 17 . 1 1 93 93 ARG C C 93 178.848 178.848 178.165 0.683 19766 10976 1 17 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.288 0.903 19766 10977 1 17 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.339 0.457 19766 10978 1 17 . 1 1 94 94 SER N N 94 112.252 112.252 114.522 -2.270 19766 10979 1 17 . 1 1 94 94 SER HA H 94 4.266 4.266 4.301 -0.035 19766 10980 1 17 . 1 1 94 94 SER C C 94 175.827 175.827 175.303 0.524 19766 10981 1 17 . 1 1 94 94 SER CA C 94 60.087 60.087 60.255 -0.168 19766 10982 1 17 . 1 1 94 94 SER CB C 94 62.266 62.266 62.951 -0.685 19766 10983 1 17 . 1 1 94 94 SER H H 94 8.353 8.353 8.225 0.128 19766 10984 1 17 . 1 1 95 95 LEU N N 95 122.261 122.261 121.670 0.591 19766 10985 1 17 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.744 -0.079 19766 10986 1 17 . 1 1 95 95 LEU C C 95 175.444 175.444 177.062 -1.618 19766 10987 1 17 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.471 0.633 19766 10988 1 17 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.486 0.426 19766 10989 1 17 . 1 1 95 95 LEU H H 95 7.229 7.229 7.915 -0.686 19766 10990 1 17 . 1 1 96 96 GLN N N 96 118.873 118.873 120.247 -1.374 19766 10991 1 17 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.242 -0.149 19766 10992 1 17 . 1 1 96 96 GLN C C 96 177.668 177.668 177.428 0.240 19766 10993 1 17 . 1 1 96 96 GLN CA C 96 60.710 60.710 58.995 1.715 19766 10994 1 17 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.088 0.893 19766 10995 1 17 . 1 1 96 96 GLN H H 96 7.390 7.390 7.582 -0.192 19766 10996 1 17 . 1 1 97 97 LYS N N 97 116.416 116.416 119.813 -3.397 19766 10997 1 17 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.068 0.049 19766 10998 1 17 . 1 1 97 97 LYS C C 97 179.237 179.237 179.179 0.058 19766 10999 1 17 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.585 0.808 19766 11000 1 17 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.570 -0.054 19766 11001 1 17 . 1 1 97 97 LYS H H 97 8.595 8.595 8.241 0.354 19766 11002 1 17 . 1 1 98 98 TYR N N 98 123.922 123.922 121.525 2.397 19766 11003 1 17 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.119 0.018 19766 11004 1 17 . 1 1 98 98 TYR C C 98 177.309 177.309 177.701 -0.392 19766 11005 1 17 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.431 0.798 19766 11006 1 17 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.130 -0.840 19766 11007 1 17 . 1 1 98 98 TYR H H 98 7.558 7.558 8.042 -0.484 19766 11008 1 17 . 1 1 99 99 TYR N N 99 118.047 118.047 117.664 0.383 19766 11009 1 17 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.882 1.226 19766 11010 1 17 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.061 -4.163 19766 11011 1 17 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.162 -0.940 19766 11012 1 17 . 1 1 99 99 TYR H H 99 8.624 8.624 7.555 1.069 19766 11013 1 17 . 1 1 100 100 GLU N N 100 118.804 118.804 118.878 -0.074 19766 11014 1 17 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.953 0.113 19766 11015 1 17 . 1 1 100 100 GLU C C 100 178.595 178.595 178.432 0.163 19766 11016 1 17 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.364 0.121 19766 11017 1 17 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.146 0.649 19766 11018 1 17 . 1 1 100 100 GLU H H 100 8.348 8.348 8.738 -0.390 19766 11019 1 17 . 1 1 101 101 ALA N N 101 123.315 123.315 122.050 1.265 19766 11020 1 17 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.046 0.249 19766 11021 1 17 . 1 1 101 101 ALA C C 101 181.438 181.438 179.815 1.623 19766 11022 1 17 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.866 -0.008 19766 11023 1 17 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.428 0.249 19766 11024 1 17 . 1 1 101 101 ALA H H 101 7.963 7.963 7.872 0.091 19766 11025 1 17 . 1 1 102 102 VAL N N 102 120.092 120.092 118.596 1.496 19766 11026 1 17 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.598 0.179 19766 11027 1 17 . 1 1 102 102 VAL C C 102 176.958 176.958 178.294 -1.336 19766 11028 1 17 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.900 1.505 19766 11029 1 17 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.142 0.694 19766 11030 1 17 . 1 1 102 102 VAL H H 102 8.321 8.321 7.560 0.761 19766 11031 1 17 . 1 1 103 103 LYS N N 103 120.226 120.226 118.240 1.986 19766 11032 1 17 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.040 -0.114 19766 11033 1 17 . 1 1 103 103 LYS C C 103 178.354 178.354 178.579 -0.225 19766 11034 1 17 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.293 0.390 19766 11035 1 17 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.811 0.365 19766 11036 1 17 . 1 1 103 103 LYS H H 103 8.266 8.266 7.911 0.355 19766 11037 1 17 . 1 1 104 104 GLU N N 104 116.521 116.521 119.963 -3.442 19766 11038 1 17 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.048 -0.087 19766 11039 1 17 . 1 1 104 104 GLU C C 104 178.628 178.628 178.969 -0.341 19766 11040 1 17 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.331 -0.221 19766 11041 1 17 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.028 0.697 19766 11042 1 17 . 1 1 104 104 GLU H H 104 8.027 8.027 8.645 -0.618 19766 11043 1 17 . 1 1 105 105 GLU N N 105 118.569 118.569 117.798 0.771 19766 11044 1 17 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.236 -0.336 19766 11045 1 17 . 1 1 105 105 GLU C C 105 178.399 178.399 178.562 -0.163 19766 11046 1 17 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.611 0.653 19766 11047 1 17 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.632 0.141 19766 11048 1 17 . 1 1 105 105 GLU H H 105 7.225 7.225 7.790 -0.565 19766 11049 1 17 . 1 1 106 106 LEU N N 106 116.938 116.938 119.226 -2.288 19766 11050 1 17 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.165 -0.132 19766 11051 1 17 . 1 1 106 106 LEU C C 106 179.770 179.770 178.937 0.833 19766 11052 1 17 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.173 -0.248 19766 11053 1 17 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.091 -1.806 19766 11054 1 17 . 1 1 106 106 LEU H H 106 8.273 8.273 7.252 1.021 19766 11055 1 17 . 1 1 107 107 ASP N N 107 119.855 119.855 118.390 1.465 19766 11056 1 17 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.208 0.340 19766 11057 1 17 . 1 1 107 107 ASP C C 107 177.891 177.891 177.767 0.124 19766 11058 1 17 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.363 -1.430 19766 11059 1 17 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.732 -0.018 19766 11060 1 17 . 1 1 107 107 ASP H H 107 8.286 8.286 8.699 -0.413 19766 11061 1 17 . 1 1 108 108 ARG N N 108 118.853 118.853 115.891 2.962 19766 11062 1 17 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.081 0.000 19766 11063 1 17 . 1 1 108 108 ARG C C 108 177.325 177.325 177.110 0.215 19766 11064 1 17 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.167 -0.158 19766 11065 1 17 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.855 0.549 19766 11066 1 17 . 1 1 108 108 ARG H H 108 7.406 7.406 8.145 -0.739 19766 11067 1 17 . 1 1 109 109 ASP N N 109 119.636 119.636 115.107 4.529 19766 11068 1 17 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.684 -0.149 19766 11069 1 17 . 1 1 109 109 ASP C C 109 176.758 176.758 177.254 -0.496 19766 11070 1 17 . 1 1 109 109 ASP CA C 109 55.238 55.238 53.988 1.250 19766 11071 1 17 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.749 -1.004 19766 11072 1 17 . 1 1 109 109 ASP H H 109 7.853 7.853 7.809 0.044 19766 11073 1 17 . 1 1 110 110 ILE N N 110 119.905 119.905 118.488 1.417 19766 11074 1 17 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.985 0.119 19766 11075 1 17 . 1 1 110 110 ILE C C 110 176.642 176.642 176.594 0.048 19766 11076 1 17 . 1 1 110 110 ILE CA C 110 61.776 61.776 62.531 -0.755 19766 11077 1 17 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.751 -0.297 19766 11078 1 17 . 1 1 110 110 ILE H H 110 7.623 7.623 7.325 0.298 19766 11079 1 17 . 1 1 111 111 VAL N N 111 122.938 122.938 119.883 3.055 19766 11080 1 17 . 1 1 111 111 VAL HA H 111 4.078 4.078 4.037 0.041 19766 11081 1 17 . 1 1 111 111 VAL C C 111 176.668 176.668 175.292 1.376 19766 11082 1 17 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.014 1.023 19766 11083 1 17 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.800 -1.318 19766 11084 1 17 . 1 1 111 111 VAL H H 111 8.043 8.043 7.978 0.065 19766 11085 1 17 . 1 1 112 112 SER N N 112 118.345 118.345 118.465 -0.120 19766 11086 1 17 . 1 1 112 112 SER HA H 112 4.417 4.417 4.432 -0.015 19766 11087 1 17 . 1 1 112 112 SER C C 112 174.925 174.925 174.192 0.733 19766 11088 1 17 . 1 1 112 112 SER CA C 112 58.848 58.848 59.442 -0.594 19766 11089 1 17 . 1 1 112 112 SER CB C 112 63.551 63.551 62.541 1.010 19766 11090 1 17 . 1 1 112 112 SER H H 112 8.210 8.210 8.432 -0.222 19766 11091 1 17 . 1 1 113 113 LYS N N 113 122.729 122.729 125.100 -2.371 19766 11092 1 17 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.326 -0.008 19766 11093 1 17 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.429 0.167 19766 11094 1 17 . 1 1 113 113 LYS CB C 113 32.846 32.846 33.274 -0.428 19766 11095 1 17 . 1 1 113 113 LYS H H 113 8.295 8.295 8.105 0.190 19766 11096 1 17 . 1 1 114 114 ASN N N 114 119.243 119.243 118.848 0.395 19766 11097 1 17 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.582 0.096 19766 11098 1 17 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.983 -0.500 19766 11099 1 17 . 1 1 114 114 ASN CB C 114 38.858 38.858 37.916 0.942 19766 11100 1 17 . 1 1 114 114 ASN H H 114 8.372 8.372 7.996 0.376 19766 11101 1 17 . 1 1 115 115 ASN N N 115 119.155 119.155 120.615 -1.460 19766 11102 1 17 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.680 0.002 19766 11103 1 17 . 1 1 115 115 ASN C C 115 174.877 174.877 174.564 0.313 19766 11104 1 17 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.330 0.153 19766 11105 1 17 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.584 -0.726 19766 11106 1 17 . 1 1 115 115 ASN H H 115 8.372 8.372 7.858 0.514 19766 11107 1 17 . 1 1 116 116 ALA N N 116 123.743 123.743 128.312 -4.569 19766 11108 1 17 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.675 -0.346 19766 11109 1 17 . 1 1 116 116 ALA C C 116 177.574 177.574 176.716 0.858 19766 11110 1 17 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.005 0.688 19766 11111 1 17 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.261 1.086 19766 11112 1 17 . 1 1 116 116 ALA H H 116 8.116 8.116 8.691 -0.575 19766 11113 1 17 . 1 1 117 117 GLU N N 117 120.161 120.161 122.356 -2.195 19766 11114 1 17 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.608 -0.335 19766 11115 1 17 . 1 1 117 117 GLU C C 117 175.557 175.557 175.191 0.366 19766 11116 1 17 . 1 1 117 117 GLU CA C 117 56.659 56.659 55.759 0.900 19766 11117 1 17 . 1 1 117 117 GLU CB C 117 30.154 30.154 33.873 -3.719 19766 11118 1 17 . 1 1 117 117 GLU H H 117 8.220 8.220 7.981 0.239 19766 11119 1 18 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.832 -0.492 19766 11120 1 18 . 1 1 2 2 ALA C C 2 177.830 177.830 176.029 1.801 19766 11121 1 18 . 1 1 2 2 ALA CA C 2 52.693 52.693 51.675 1.018 19766 11122 1 18 . 1 1 2 2 ALA CB C 2 19.359 19.359 18.840 0.519 19766 11123 1 18 . 1 1 3 3 MET N N 3 119.580 119.580 119.737 -0.157 19766 11124 1 18 . 1 1 3 3 MET HA H 3 4.482 4.482 4.965 -0.483 19766 11125 1 18 . 1 1 3 3 MET C C 3 176.714 176.714 175.223 1.491 19766 11126 1 18 . 1 1 3 3 MET CA C 3 55.590 55.590 55.013 0.577 19766 11127 1 18 . 1 1 3 3 MET CB C 3 32.922 32.922 34.576 -1.654 19766 11128 1 18 . 1 1 3 3 MET H H 3 8.451 8.451 8.054 0.397 19766 11129 1 18 . 1 1 4 4 GLY N N 4 109.951 109.951 108.412 1.539 19766 11130 1 18 . 1 1 4 4 GLY C C 4 174.082 174.082 172.608 1.474 19766 11131 1 18 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.144 0.322 19766 11132 1 18 . 1 1 4 4 GLY H H 4 8.400 8.400 8.348 0.052 19766 11133 1 18 . 1 1 5 5 ASN N N 5 118.667 118.667 115.757 2.910 19766 11134 1 18 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.708 -0.024 19766 11135 1 18 . 1 1 5 5 ASN C C 5 175.489 175.489 175.735 -0.246 19766 11136 1 18 . 1 1 5 5 ASN CA C 5 53.501 53.501 53.659 -0.158 19766 11137 1 18 . 1 1 5 5 ASN CB C 5 38.966 38.966 39.478 -0.513 19766 11138 1 18 . 1 1 5 5 ASN H H 5 8.378 8.378 8.420 -0.042 19766 11139 1 18 . 1 1 6 6 GLU N N 6 120.908 120.908 119.558 1.350 19766 11140 1 18 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.089 0.077 19766 11141 1 18 . 1 1 6 6 GLU C C 6 176.336 176.336 177.045 -0.709 19766 11142 1 18 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.103 0.166 19766 11143 1 18 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.133 0.603 19766 11144 1 18 . 1 1 6 6 GLU H H 6 8.620 8.620 8.410 0.210 19766 11145 1 18 . 1 1 7 7 TYR N N 7 120.339 120.339 118.715 1.624 19766 11146 1 18 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.472 0.028 19766 11147 1 18 . 1 1 7 7 TYR C C 7 175.808 175.808 175.614 0.194 19766 11148 1 18 . 1 1 7 7 TYR CA C 7 58.151 58.151 57.434 0.717 19766 11149 1 18 . 1 1 7 7 TYR CB C 7 38.194 38.194 35.849 2.345 19766 11150 1 18 . 1 1 7 7 TYR H H 7 8.045 8.045 7.827 0.218 19766 11151 1 18 . 1 1 8 8 LYS N N 8 121.700 121.700 123.383 -1.683 19766 11152 1 18 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.496 -0.346 19766 11153 1 18 . 1 1 8 8 LYS C C 8 175.868 175.868 177.035 -1.167 19766 11154 1 18 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.226 -0.664 19766 11155 1 18 . 1 1 8 8 LYS CB C 8 33.158 33.158 34.091 -0.933 19766 11156 1 18 . 1 1 8 8 LYS H H 8 7.829 7.829 8.177 -0.348 19766 11157 1 18 . 1 1 9 9 ASP N N 9 119.811 119.811 120.411 -0.600 19766 11158 1 18 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.663 -0.025 19766 11159 1 18 . 1 1 9 9 ASP C C 9 175.972 175.972 176.185 -0.213 19766 11160 1 18 . 1 1 9 9 ASP CA C 9 54.624 54.624 55.277 -0.653 19766 11161 1 18 . 1 1 9 9 ASP CB C 9 41.539 41.539 41.234 0.305 19766 11162 1 18 . 1 1 9 9 ASP H H 9 8.137 8.137 8.544 -0.407 19766 11163 1 18 . 1 1 10 10 ASN N N 10 119.794 119.794 119.446 0.348 19766 11164 1 18 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.106 -0.134 19766 11165 1 18 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.663 -0.817 19766 11166 1 18 . 1 1 10 10 ASN CB C 10 38.759 38.759 37.628 1.131 19766 11167 1 18 . 1 1 10 10 ASN H H 10 8.292 8.292 8.481 -0.189 19766 11168 1 18 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.559 0.044 19766 11169 1 18 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.550 0.699 19766 11170 1 18 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.704 -0.516 19766 11171 1 18 . 1 1 12 12 TYR N N 12 118.889 118.889 118.569 0.320 19766 11172 1 18 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.347 -0.203 19766 11173 1 18 . 1 1 12 12 TYR C C 12 177.773 177.773 174.956 2.817 19766 11174 1 18 . 1 1 12 12 TYR CA C 12 57.183 57.183 57.360 -0.177 19766 11175 1 18 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.585 1.997 19766 11176 1 18 . 1 1 12 12 TYR H H 12 8.057 8.057 7.533 0.524 19766 11177 1 18 . 1 1 13 13 ILE N N 13 112.765 112.765 118.809 -6.044 19766 11178 1 18 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.051 0.103 19766 11179 1 18 . 1 1 13 13 ILE C C 13 174.312 174.312 174.664 -0.352 19766 11180 1 18 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.167 0.869 19766 11181 1 18 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.626 -0.730 19766 11182 1 18 . 1 1 13 13 ILE H H 13 9.310 9.310 9.344 -0.034 19766 11183 1 18 . 1 1 14 14 TYR N N 14 124.417 124.417 128.449 -4.032 19766 11184 1 18 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.977 -0.270 19766 11185 1 18 . 1 1 14 14 TYR C C 14 173.058 173.058 174.079 -1.021 19766 11186 1 18 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.693 -1.481 19766 11187 1 18 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.464 0.755 19766 11188 1 18 . 1 1 14 14 TYR H H 14 9.252 9.252 8.892 0.360 19766 11189 1 18 . 1 1 15 15 ILE N N 15 127.660 127.660 128.766 -1.106 19766 11190 1 18 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.126 -0.861 19766 11191 1 18 . 1 1 15 15 ILE C C 15 173.705 173.705 174.562 -0.857 19766 11192 1 18 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.548 -0.062 19766 11193 1 18 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.065 0.937 19766 11194 1 18 . 1 1 15 15 ILE H H 15 8.558 8.558 8.801 -0.243 19766 11195 1 18 . 1 1 16 16 GLY N N 16 112.792 112.792 112.086 0.706 19766 11196 1 18 . 1 1 16 16 GLY C C 16 173.110 173.110 172.824 0.286 19766 11197 1 18 . 1 1 16 16 GLY CA C 16 43.249 43.249 42.833 0.416 19766 11198 1 18 . 1 1 16 16 GLY H H 16 9.516 9.516 8.773 0.743 19766 11199 1 18 . 1 1 17 17 ASN N N 17 115.139 115.139 115.662 -0.523 19766 11200 1 18 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.115 0.281 19766 11201 1 18 . 1 1 17 17 ASN C C 17 174.854 174.854 174.269 0.585 19766 11202 1 18 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.780 -0.544 19766 11203 1 18 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.078 -0.145 19766 11204 1 18 . 1 1 17 17 ASN H H 17 8.511 8.511 7.959 0.552 19766 11205 1 18 . 1 1 18 18 LEU N N 18 114.660 114.660 118.461 -3.801 19766 11206 1 18 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.289 -0.253 19766 11207 1 18 . 1 1 18 18 LEU C C 18 178.161 178.161 176.481 1.680 19766 11208 1 18 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.351 -0.467 19766 11209 1 18 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.298 -0.736 19766 11210 1 18 . 1 1 18 18 LEU H H 18 7.839 7.839 7.559 0.280 19766 11211 1 18 . 1 1 19 19 ASN N N 19 122.707 122.707 117.460 5.247 19766 11212 1 18 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.564 -0.201 19766 11213 1 18 . 1 1 19 19 ASN C C 19 178.037 178.037 176.569 1.468 19766 11214 1 18 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.868 0.736 19766 11215 1 18 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.472 -0.660 19766 11216 1 18 . 1 1 19 19 ASN H H 19 8.779 8.779 8.237 0.542 19766 11217 1 18 . 1 1 20 20 ARG N N 20 128.724 128.724 119.663 9.061 19766 11218 1 18 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.093 -0.240 19766 11219 1 18 . 1 1 20 20 ARG C C 20 175.612 175.612 176.267 -0.655 19766 11220 1 18 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.174 0.600 19766 11221 1 18 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.330 -0.646 19766 11222 1 18 . 1 1 20 20 ARG H H 20 8.954 8.954 8.649 0.305 19766 11223 1 18 . 1 1 21 21 GLU N N 21 117.609 117.609 115.554 2.055 19766 11224 1 18 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.196 0.077 19766 11225 1 18 . 1 1 21 21 GLU C C 21 177.285 177.285 175.940 1.345 19766 11226 1 18 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.099 0.683 19766 11227 1 18 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.988 1.510 19766 11228 1 18 . 1 1 21 21 GLU H H 21 9.092 9.092 8.204 0.888 19766 11229 1 18 . 1 1 22 22 LEU N N 22 116.169 116.169 121.487 -5.318 19766 11230 1 18 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.485 0.071 19766 11231 1 18 . 1 1 22 22 LEU C C 22 178.328 178.328 176.942 1.386 19766 11232 1 18 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.685 0.971 19766 11233 1 18 . 1 1 22 22 LEU CB C 22 42.226 42.226 42.020 0.206 19766 11234 1 18 . 1 1 22 22 LEU H H 22 7.208 7.208 7.222 -0.014 19766 11235 1 18 . 1 1 23 23 THR N N 23 113.733 113.733 116.931 -3.198 19766 11236 1 18 . 1 1 23 23 THR HA H 23 4.349 4.349 4.618 -0.269 19766 11237 1 18 . 1 1 23 23 THR C C 23 175.225 175.225 175.405 -0.180 19766 11238 1 18 . 1 1 23 23 THR CA C 23 59.960 59.960 59.204 0.756 19766 11239 1 18 . 1 1 23 23 THR CB C 23 72.172 72.172 71.402 0.770 19766 11240 1 18 . 1 1 23 23 THR H H 23 8.732 8.732 9.112 -0.380 19766 11241 1 18 . 1 1 24 24 GLU N N 24 119.838 119.838 122.633 -2.795 19766 11242 1 18 . 1 1 24 24 GLU HA H 24 3.657 3.657 3.889 -0.232 19766 11243 1 18 . 1 1 24 24 GLU C C 24 178.983 178.983 178.709 0.274 19766 11244 1 18 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.461 3.110 19766 11245 1 18 . 1 1 24 24 GLU CB C 24 27.346 27.346 28.997 -1.651 19766 11246 1 18 . 1 1 24 24 GLU H H 24 9.761 9.761 8.941 0.820 19766 11247 1 18 . 1 1 25 25 GLY N N 25 104.462 104.462 106.192 -1.730 19766 11248 1 18 . 1 1 25 25 GLY C C 25 175.139 175.139 175.724 -0.585 19766 11249 1 18 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.848 0.757 19766 11250 1 18 . 1 1 25 25 GLY H H 25 8.486 8.486 7.802 0.684 19766 11251 1 18 . 1 1 26 26 ASP N N 26 123.296 123.296 123.671 -0.375 19766 11252 1 18 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.411 0.159 19766 11253 1 18 . 1 1 26 26 ASP C C 26 178.135 178.135 178.490 -0.355 19766 11254 1 18 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.674 0.138 19766 11255 1 18 . 1 1 26 26 ASP CB C 26 41.885 41.885 40.784 1.101 19766 11256 1 18 . 1 1 26 26 ASP H H 26 7.960 7.960 7.683 0.277 19766 11257 1 18 . 1 1 27 27 ILE N N 27 118.853 118.853 120.282 -1.429 19766 11258 1 18 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.424 0.183 19766 11259 1 18 . 1 1 27 27 ILE C C 27 178.424 178.424 177.947 0.477 19766 11260 1 18 . 1 1 27 27 ILE CA C 27 65.741 65.741 64.892 0.849 19766 11261 1 18 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.584 0.128 19766 11262 1 18 . 1 1 27 27 ILE H H 27 8.159 8.159 7.569 0.590 19766 11263 1 18 . 1 1 28 28 LEU N N 28 118.549 118.549 120.109 -1.560 19766 11264 1 18 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.803 0.101 19766 11265 1 18 . 1 1 28 28 LEU C C 28 180.057 180.057 179.111 0.946 19766 11266 1 18 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.237 0.294 19766 11267 1 18 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.349 0.596 19766 11268 1 18 . 1 1 28 28 LEU H H 28 8.414 8.414 8.189 0.225 19766 11269 1 18 . 1 1 29 29 THR N N 29 122.156 122.156 114.987 7.169 19766 11270 1 18 . 1 1 29 29 THR HA H 29 4.032 4.032 3.979 0.053 19766 11271 1 18 . 1 1 29 29 THR C C 29 175.113 175.113 176.418 -1.305 19766 11272 1 18 . 1 1 29 29 THR CA C 29 66.754 66.754 66.238 0.516 19766 11273 1 18 . 1 1 29 29 THR CB C 29 68.490 68.490 68.773 -0.283 19766 11274 1 18 . 1 1 29 29 THR H H 29 8.715 8.715 7.963 0.752 19766 11275 1 18 . 1 1 30 30 VAL N N 30 116.487 116.487 118.067 -1.580 19766 11276 1 18 . 1 1 30 30 VAL HA H 30 3.831 3.831 4.061 -0.230 19766 11277 1 18 . 1 1 30 30 VAL C C 30 179.968 179.968 177.970 1.998 19766 11278 1 18 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.152 0.363 19766 11279 1 18 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.365 1.679 19766 11280 1 18 . 1 1 30 30 VAL H H 30 7.713 7.713 7.965 -0.252 19766 11281 1 18 . 1 1 31 31 PHE N N 31 113.658 113.658 119.569 -5.911 19766 11282 1 18 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.476 -0.609 19766 11283 1 18 . 1 1 31 31 PHE C C 31 179.577 179.577 177.878 1.699 19766 11284 1 18 . 1 1 31 31 PHE CA C 31 62.403 62.403 57.282 5.121 19766 11285 1 18 . 1 1 31 31 PHE CB C 31 37.313 37.313 37.993 -0.680 19766 11286 1 18 . 1 1 31 31 PHE H H 31 8.876 8.876 8.642 0.234 19766 11287 1 18 . 1 1 32 32 SER N N 32 118.635 118.635 115.602 3.033 19766 11288 1 18 . 1 1 32 32 SER HA H 32 5.381 5.381 4.620 0.761 19766 11289 1 18 . 1 1 32 32 SER C C 32 172.662 172.662 176.648 -3.986 19766 11290 1 18 . 1 1 32 32 SER CA C 32 61.338 61.338 59.270 2.068 19766 11291 1 18 . 1 1 32 32 SER CB C 32 63.875 63.875 62.526 1.349 19766 11292 1 18 . 1 1 32 32 SER H H 32 8.106 8.106 8.338 -0.232 19766 11293 1 18 . 1 1 33 33 GLU N N 33 121.234 121.234 123.483 -2.249 19766 11294 1 18 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.120 -1.963 19766 11295 1 18 . 1 1 33 33 GLU C C 33 174.223 174.223 177.163 -2.940 19766 11296 1 18 . 1 1 33 33 GLU CA C 33 59.640 59.640 59.000 0.640 19766 11297 1 18 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.966 -2.135 19766 11298 1 18 . 1 1 33 33 GLU H H 33 6.964 6.964 7.684 -0.720 19766 11299 1 18 . 1 1 34 34 TYR N N 34 107.930 107.930 114.985 -7.055 19766 11300 1 18 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.859 -0.706 19766 11301 1 18 . 1 1 34 34 TYR C C 34 173.208 173.208 174.413 -1.205 19766 11302 1 18 . 1 1 34 34 TYR CA C 34 57.329 57.329 55.795 1.534 19766 11303 1 18 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.084 0.794 19766 11304 1 18 . 1 1 34 34 TYR H H 34 6.229 6.229 7.803 -1.574 19766 11305 1 18 . 1 1 35 35 GLY N N 35 103.542 103.542 106.302 -2.760 19766 11306 1 18 . 1 1 35 35 GLY C C 35 170.379 170.379 172.064 -1.685 19766 11307 1 18 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.298 -0.619 19766 11308 1 18 . 1 1 35 35 GLY H H 35 7.257 7.257 7.205 0.052 19766 11309 1 18 . 1 1 36 36 VAL N N 36 120.446 120.446 119.728 0.718 19766 11310 1 18 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.431 0.073 19766 11311 1 18 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.409 0.306 19766 11312 1 18 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.996 0.035 19766 11313 1 18 . 1 1 36 36 VAL H H 36 8.438 8.438 8.673 -0.235 19766 11314 1 18 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.167 0.536 19766 11315 1 18 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.133 0.241 19766 11316 1 18 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.694 0.377 19766 11317 1 18 . 1 1 38 38 VAL N N 38 113.929 113.929 117.519 -3.590 19766 11318 1 18 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.167 0.316 19766 11319 1 18 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.157 -1.703 19766 11320 1 18 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.877 -0.373 19766 11321 1 18 . 1 1 38 38 VAL H H 38 8.966 8.966 8.719 0.247 19766 11322 1 18 . 1 1 39 39 ASP N N 39 118.213 118.213 118.518 -0.305 19766 11323 1 18 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.927 -0.252 19766 11324 1 18 . 1 1 39 39 ASP C C 39 174.637 174.637 173.757 0.880 19766 11325 1 18 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.345 1.343 19766 11326 1 18 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.558 -0.751 19766 11327 1 18 . 1 1 39 39 ASP H H 39 7.500 7.500 7.707 -0.207 19766 11328 1 18 . 1 1 40 40 VAL N N 40 121.576 121.576 123.540 -1.964 19766 11329 1 18 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.696 0.295 19766 11330 1 18 . 1 1 40 40 VAL C C 40 170.562 170.562 173.823 -3.261 19766 11331 1 18 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.005 0.353 19766 11332 1 18 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.367 -0.148 19766 11333 1 18 . 1 1 40 40 VAL H H 40 7.657 7.657 8.544 -0.887 19766 11334 1 18 . 1 1 41 41 ILE N N 41 125.384 125.384 126.347 -0.963 19766 11335 1 18 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.872 -0.054 19766 11336 1 18 . 1 1 41 41 ILE C C 41 175.425 175.425 173.472 1.953 19766 11337 1 18 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.163 2.327 19766 11338 1 18 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.025 2.531 19766 11339 1 18 . 1 1 41 41 ILE H H 41 8.901 8.901 9.212 -0.311 19766 11340 1 18 . 1 1 42 42 LEU N N 42 128.888 128.888 128.954 -0.066 19766 11341 1 18 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.601 -0.140 19766 11342 1 18 . 1 1 42 42 LEU C C 42 174.934 174.934 175.536 -0.602 19766 11343 1 18 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.633 -0.256 19766 11344 1 18 . 1 1 42 42 LEU CB C 42 43.539 43.539 42.606 0.933 19766 11345 1 18 . 1 1 42 42 LEU H H 42 8.344 8.344 8.449 -0.105 19766 11346 1 18 . 1 1 43 43 SER N N 43 122.818 122.818 122.106 0.712 19766 11347 1 18 . 1 1 43 43 SER HA H 43 3.876 3.876 4.391 -0.515 19766 11348 1 18 . 1 1 43 43 SER C C 43 173.869 173.869 173.377 0.492 19766 11349 1 18 . 1 1 43 43 SER CA C 43 59.688 59.688 58.753 0.935 19766 11350 1 18 . 1 1 43 43 SER CB C 43 62.673 62.673 62.804 -0.131 19766 11351 1 18 . 1 1 43 43 SER H H 43 8.362 8.362 8.510 -0.148 19766 11352 1 18 . 1 1 44 44 ARG N N 44 128.045 128.045 125.024 3.021 19766 11353 1 18 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.071 -0.242 19766 11354 1 18 . 1 1 44 44 ARG C C 44 175.031 175.031 175.011 0.020 19766 11355 1 18 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.598 0.464 19766 11356 1 18 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.513 0.785 19766 11357 1 18 . 1 1 44 44 ARG H H 44 8.079 8.079 7.708 0.371 19766 11358 1 18 . 1 1 45 45 ASP N N 45 123.491 123.491 122.371 1.120 19766 11359 1 18 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.483 -0.246 19766 11360 1 18 . 1 1 45 45 ASP C C 45 177.487 177.487 176.901 0.586 19766 11361 1 18 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.648 0.269 19766 11362 1 18 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.893 0.718 19766 11363 1 18 . 1 1 45 45 ASP H H 45 8.663 8.663 8.608 0.055 19766 11364 1 18 . 1 1 46 46 GLU N N 46 125.446 125.446 125.790 -0.344 19766 11365 1 18 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.020 -0.113 19766 11366 1 18 . 1 1 46 46 GLU C C 46 175.655 175.655 176.663 -1.008 19766 11367 1 18 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.307 0.566 19766 11368 1 18 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.821 -0.167 19766 11369 1 18 . 1 1 46 46 GLU H H 46 9.007 9.007 8.762 0.245 19766 11370 1 18 . 1 1 47 47 ASN N N 47 115.343 115.343 117.044 -1.701 19766 11371 1 18 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.690 0.194 19766 11372 1 18 . 1 1 47 47 ASN C C 47 176.665 176.665 177.104 -0.439 19766 11373 1 18 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.969 -0.030 19766 11374 1 18 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.575 0.655 19766 11375 1 18 . 1 1 47 47 ASN H H 47 8.947 8.947 8.480 0.467 19766 11376 1 18 . 1 1 48 48 THR N N 48 107.604 107.604 113.051 -5.447 19766 11377 1 18 . 1 1 48 48 THR HA H 48 4.468 4.468 4.453 0.015 19766 11378 1 18 . 1 1 48 48 THR C C 48 176.465 176.465 175.766 0.699 19766 11379 1 18 . 1 1 48 48 THR CA C 48 61.555 61.555 62.556 -1.001 19766 11380 1 18 . 1 1 48 48 THR CB C 48 71.342 71.342 70.058 1.284 19766 11381 1 18 . 1 1 48 48 THR H H 48 8.450 8.450 8.758 -0.308 19766 11382 1 18 . 1 1 49 49 GLY N N 49 111.809 111.809 110.085 1.724 19766 11383 1 18 . 1 1 49 49 GLY C C 49 173.193 173.193 173.503 -0.310 19766 11384 1 18 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.590 0.133 19766 11385 1 18 . 1 1 49 49 GLY H H 49 8.632 8.632 7.593 1.039 19766 11386 1 18 . 1 1 50 50 GLU N N 50 120.089 120.089 116.787 3.302 19766 11387 1 18 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.550 -0.417 19766 11388 1 18 . 1 1 50 50 GLU C C 50 176.586 176.586 175.984 0.602 19766 11389 1 18 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.641 1.891 19766 11390 1 18 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.753 0.331 19766 11391 1 18 . 1 1 50 50 GLU H H 50 7.825 7.825 8.039 -0.214 19766 11392 1 18 . 1 1 51 51 SER N N 51 115.686 115.686 120.765 -5.079 19766 11393 1 18 . 1 1 51 51 SER HA H 51 4.273 4.273 4.267 0.006 19766 11394 1 18 . 1 1 51 51 SER C C 51 176.516 176.516 175.141 1.375 19766 11395 1 18 . 1 1 51 51 SER CA C 51 58.415 58.415 59.761 -1.345 19766 11396 1 18 . 1 1 51 51 SER CB C 51 64.668 64.668 63.277 1.391 19766 11397 1 18 . 1 1 51 51 SER H H 51 8.871 8.871 8.904 -0.033 19766 11398 1 18 . 1 1 52 52 GLN N N 52 123.284 123.284 124.729 -1.445 19766 11399 1 18 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.369 0.122 19766 11400 1 18 . 1 1 52 52 GLN C C 52 177.471 177.471 177.211 0.260 19766 11401 1 18 . 1 1 52 52 GLN CA C 52 55.147 55.147 57.081 -1.934 19766 11402 1 18 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.661 0.219 19766 11403 1 18 . 1 1 52 52 GLN H H 52 9.103 9.103 8.865 0.238 19766 11404 1 18 . 1 1 53 53 GLY N N 53 105.865 105.865 107.734 -1.869 19766 11405 1 18 . 1 1 53 53 GLY C C 53 172.010 172.010 172.800 -0.790 19766 11406 1 18 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.225 1.420 19766 11407 1 18 . 1 1 53 53 GLY H H 53 8.888 8.888 8.275 0.613 19766 11408 1 18 . 1 1 54 54 PHE N N 54 112.097 112.097 118.311 -6.214 19766 11409 1 18 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.268 0.078 19766 11410 1 18 . 1 1 54 54 PHE C C 54 171.548 171.548 173.255 -1.707 19766 11411 1 18 . 1 1 54 54 PHE CA C 54 55.671 55.671 56.066 -0.395 19766 11412 1 18 . 1 1 54 54 PHE CB C 54 40.680 40.680 43.048 -2.368 19766 11413 1 18 . 1 1 54 54 PHE H H 54 6.879 6.879 7.193 -0.314 19766 11414 1 18 . 1 1 55 55 ALA N N 55 122.332 122.332 121.223 1.109 19766 11415 1 18 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.862 0.261 19766 11416 1 18 . 1 1 55 55 ALA C C 55 173.074 173.074 174.456 -1.382 19766 11417 1 18 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.692 -1.163 19766 11418 1 18 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.669 3.070 19766 11419 1 18 . 1 1 55 55 ALA H H 55 9.051 9.051 8.875 0.176 19766 11420 1 18 . 1 1 56 56 TYR N N 56 115.022 115.022 116.897 -1.875 19766 11421 1 18 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.893 -0.219 19766 11422 1 18 . 1 1 56 56 TYR C C 56 175.292 175.292 174.466 0.826 19766 11423 1 18 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.212 -0.631 19766 11424 1 18 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.591 -0.244 19766 11425 1 18 . 1 1 56 56 TYR H H 56 9.007 9.007 9.007 -0.000 19766 11426 1 18 . 1 1 57 57 LEU N N 57 122.695 122.695 121.227 1.468 19766 11427 1 18 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.118 -0.359 19766 11428 1 18 . 1 1 57 57 LEU C C 57 172.173 172.173 174.224 -2.051 19766 11429 1 18 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.833 0.983 19766 11430 1 18 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.565 0.341 19766 11431 1 18 . 1 1 57 57 LEU H H 57 8.648 8.648 9.074 -0.426 19766 11432 1 18 . 1 1 58 58 LYS N N 58 125.954 125.954 122.512 3.442 19766 11433 1 18 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.906 -0.441 19766 11434 1 18 . 1 1 58 58 LYS C C 58 174.900 174.900 174.999 -0.099 19766 11435 1 18 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.274 0.349 19766 11436 1 18 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.788 0.758 19766 11437 1 18 . 1 1 58 58 LYS H H 58 7.948 7.948 8.750 -0.802 19766 11438 1 18 . 1 1 59 59 TYR N N 59 126.396 126.396 125.983 0.413 19766 11439 1 18 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.483 0.617 19766 11440 1 18 . 1 1 59 59 TYR CA C 59 57.974 57.974 59.198 -1.224 19766 11441 1 18 . 1 1 59 59 TYR CB C 59 42.498 42.498 40.199 2.299 19766 11442 1 18 . 1 1 59 59 TYR H H 59 9.007 9.007 8.557 0.450 19766 11443 1 18 . 1 1 60 60 GLU N N 60 120.848 120.848 121.574 -0.726 19766 11444 1 18 . 1 1 60 60 GLU HA H 60 3.873 3.873 3.945 -0.072 19766 11445 1 18 . 1 1 60 60 GLU C C 60 175.081 175.081 175.687 -0.606 19766 11446 1 18 . 1 1 60 60 GLU CA C 60 59.053 59.053 59.269 -0.216 19766 11447 1 18 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.306 0.561 19766 11448 1 18 . 1 1 60 60 GLU H H 60 8.973 8.973 8.728 0.245 19766 11449 1 18 . 1 1 61 61 ASP N N 61 117.604 117.604 115.774 1.830 19766 11450 1 18 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.783 0.083 19766 11451 1 18 . 1 1 61 61 ASP C C 61 176.598 176.598 177.108 -0.510 19766 11452 1 18 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.057 -1.945 19766 11453 1 18 . 1 1 61 61 ASP CB C 61 43.424 43.424 43.154 0.270 19766 11454 1 18 . 1 1 61 61 ASP H H 61 8.017 8.017 7.973 0.044 19766 11455 1 18 . 1 1 62 62 GLN N N 62 126.427 126.427 122.888 3.539 19766 11456 1 18 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.116 0.154 19766 11457 1 18 . 1 1 62 62 GLN C C 62 178.514 178.514 177.505 1.009 19766 11458 1 18 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.711 -0.206 19766 11459 1 18 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.693 -0.720 19766 11460 1 18 . 1 1 62 62 GLN H H 62 9.007 9.007 8.804 0.203 19766 11461 1 18 . 1 1 63 63 ARG N N 63 121.369 121.369 118.146 3.223 19766 11462 1 18 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.050 -0.330 19766 11463 1 18 . 1 1 63 63 ARG C C 63 178.566 178.566 178.507 0.059 19766 11464 1 18 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.227 0.855 19766 11465 1 18 . 1 1 63 63 ARG H H 63 9.013 9.013 9.024 -0.011 19766 11466 1 18 . 1 1 64 64 SER N N 64 115.216 115.216 114.749 0.467 19766 11467 1 18 . 1 1 64 64 SER HA H 64 3.746 3.746 4.213 -0.467 19766 11468 1 18 . 1 1 64 64 SER C C 64 175.695 175.695 175.636 0.059 19766 11469 1 18 . 1 1 64 64 SER CA C 64 63.651 63.651 60.956 2.695 19766 11470 1 18 . 1 1 64 64 SER H H 64 8.207 8.207 7.752 0.455 19766 11471 1 18 . 1 1 65 65 THR N N 65 111.402 111.402 120.179 -8.777 19766 11472 1 18 . 1 1 65 65 THR HA H 65 3.785 3.785 3.995 -0.210 19766 11473 1 18 . 1 1 65 65 THR C C 65 175.556 175.556 176.008 -0.452 19766 11474 1 18 . 1 1 65 65 THR CA C 65 66.178 66.178 66.460 -0.282 19766 11475 1 18 . 1 1 65 65 THR CB C 65 68.414 68.414 68.696 -0.282 19766 11476 1 18 . 1 1 65 65 THR H H 65 7.640 7.640 7.646 -0.006 19766 11477 1 18 . 1 1 66 66 ILE N N 66 122.905 122.905 121.940 0.965 19766 11478 1 18 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.857 -0.155 19766 11479 1 18 . 1 1 66 66 ILE C C 66 177.292 177.292 178.087 -0.795 19766 11480 1 18 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.127 -0.874 19766 11481 1 18 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.644 0.755 19766 11482 1 18 . 1 1 66 66 ILE H H 66 6.702 6.702 8.423 -1.721 19766 11483 1 18 . 1 1 67 67 LEU N N 67 114.425 114.425 120.522 -6.097 19766 11484 1 18 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.765 -0.035 19766 11485 1 18 . 1 1 67 67 LEU C C 67 179.641 179.641 178.201 1.440 19766 11486 1 18 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.895 -0.308 19766 11487 1 18 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.682 -0.000 19766 11488 1 18 . 1 1 67 67 LEU H H 67 6.975 6.975 7.740 -0.765 19766 11489 1 18 . 1 1 68 68 ALA N N 68 120.639 120.639 121.224 -0.585 19766 11490 1 18 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.994 -0.559 19766 11491 1 18 . 1 1 68 68 ALA C C 68 179.087 179.087 179.748 -0.661 19766 11492 1 18 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.793 0.943 19766 11493 1 18 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.188 0.825 19766 11494 1 18 . 1 1 68 68 ALA H H 68 8.225 8.225 7.495 0.730 19766 11495 1 18 . 1 1 69 69 VAL N N 69 118.866 118.866 116.614 2.252 19766 11496 1 18 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.620 -0.381 19766 11497 1 18 . 1 1 69 69 VAL C C 69 178.798 178.798 177.560 1.238 19766 11498 1 18 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.878 0.147 19766 11499 1 18 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.590 0.247 19766 11500 1 18 . 1 1 69 69 VAL H H 69 8.162 8.162 7.585 0.577 19766 11501 1 18 . 1 1 70 70 ASP N N 70 117.230 117.230 116.865 0.365 19766 11502 1 18 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.586 -0.532 19766 11503 1 18 . 1 1 70 70 ASP C C 70 178.297 178.297 177.121 1.176 19766 11504 1 18 . 1 1 70 70 ASP CA C 70 57.269 57.269 55.829 1.440 19766 11505 1 18 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.656 -2.034 19766 11506 1 18 . 1 1 70 70 ASP H H 70 8.262 8.262 7.641 0.621 19766 11507 1 18 . 1 1 71 71 ASN N N 71 111.214 111.214 116.692 -5.478 19766 11508 1 18 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.586 0.277 19766 11509 1 18 . 1 1 71 71 ASN C C 71 176.614 176.614 176.085 0.529 19766 11510 1 18 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.325 1.276 19766 11511 1 18 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.721 1.879 19766 11512 1 18 . 1 1 71 71 ASN H H 71 7.541 7.541 8.051 -0.510 19766 11513 1 18 . 1 1 72 72 LEU N N 72 116.127 116.127 117.928 -1.801 19766 11514 1 18 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.427 0.222 19766 11515 1 18 . 1 1 72 72 LEU C C 72 177.465 177.465 175.689 1.776 19766 11516 1 18 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.078 0.273 19766 11517 1 18 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.814 -0.266 19766 11518 1 18 . 1 1 72 72 LEU H H 72 8.323 8.323 7.796 0.527 19766 11519 1 18 . 1 1 73 73 ASN N N 73 118.792 118.792 117.630 1.162 19766 11520 1 18 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.627 -0.216 19766 11521 1 18 . 1 1 73 73 ASN C C 73 177.085 177.085 176.577 0.508 19766 11522 1 18 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.211 2.343 19766 11523 1 18 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.370 1.088 19766 11524 1 18 . 1 1 73 73 ASN H H 73 6.965 6.965 7.608 -0.643 19766 11525 1 18 . 1 1 74 74 GLY N N 74 115.779 115.779 112.328 3.451 19766 11526 1 18 . 1 1 74 74 GLY C C 74 172.848 172.848 174.094 -1.246 19766 11527 1 18 . 1 1 74 74 GLY CA C 74 45.758 45.758 45.017 0.741 19766 11528 1 18 . 1 1 74 74 GLY H H 74 9.389 9.389 9.073 0.316 19766 11529 1 18 . 1 1 75 75 PHE N N 75 123.194 123.194 122.214 0.980 19766 11530 1 18 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.487 -0.200 19766 11531 1 18 . 1 1 75 75 PHE C C 75 174.778 174.778 174.737 0.041 19766 11532 1 18 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.099 0.774 19766 11533 1 18 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.610 0.992 19766 11534 1 18 . 1 1 75 75 PHE H H 75 8.133 8.133 7.966 0.167 19766 11535 1 18 . 1 1 76 76 LYS N N 76 127.364 127.364 128.845 -1.481 19766 11536 1 18 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.718 -0.047 19766 11537 1 18 . 1 1 76 76 LYS C C 76 175.286 175.286 175.573 -0.287 19766 11538 1 18 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.584 0.668 19766 11539 1 18 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.448 0.753 19766 11540 1 18 . 1 1 76 76 LYS H H 76 7.596 7.596 7.946 -0.350 19766 11541 1 18 . 1 1 77 77 ILE N N 77 120.094 120.094 127.560 -7.466 19766 11542 1 18 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.232 0.126 19766 11543 1 18 . 1 1 77 77 ILE C C 77 177.519 177.519 175.708 1.811 19766 11544 1 18 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.071 -0.568 19766 11545 1 18 . 1 1 77 77 ILE CB C 77 40.636 40.636 40.078 0.558 19766 11546 1 18 . 1 1 77 77 ILE H H 77 8.004 8.004 9.136 -1.132 19766 11547 1 18 . 1 1 78 78 GLY N N 78 119.932 119.932 116.629 3.303 19766 11548 1 18 . 1 1 78 78 GLY C C 78 175.944 175.944 175.164 0.780 19766 11549 1 18 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.120 2.099 19766 11550 1 18 . 1 1 78 78 GLY H H 78 10.183 10.183 8.980 1.203 19766 11551 1 18 . 1 1 79 79 GLY N N 79 104.505 104.505 102.991 1.514 19766 11552 1 18 . 1 1 79 79 GLY C C 79 173.347 173.347 173.659 -0.312 19766 11553 1 18 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.800 0.292 19766 11554 1 18 . 1 1 79 79 GLY H H 79 8.892 8.892 8.568 0.324 19766 11555 1 18 . 1 1 80 80 ARG N N 80 119.144 119.144 118.215 0.929 19766 11556 1 18 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.660 0.006 19766 11557 1 18 . 1 1 80 80 ARG C C 80 174.693 174.693 173.663 1.030 19766 11558 1 18 . 1 1 80 80 ARG CA C 80 54.678 54.678 53.736 0.942 19766 11559 1 18 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.801 0.606 19766 11560 1 18 . 1 1 80 80 ARG H H 80 7.281 7.281 7.596 -0.315 19766 11561 1 18 . 1 1 81 81 ALA N N 81 126.229 126.229 123.455 2.774 19766 11562 1 18 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.344 -1.143 19766 11563 1 18 . 1 1 81 81 ALA C C 81 176.967 176.967 176.939 0.028 19766 11564 1 18 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.646 0.483 19766 11565 1 18 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.713 -1.513 19766 11566 1 18 . 1 1 81 81 ALA H H 81 8.673 8.673 8.387 0.286 19766 11567 1 18 . 1 1 82 82 LEU N N 82 125.471 125.471 119.429 6.042 19766 11568 1 18 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.900 -0.476 19766 11569 1 18 . 1 1 82 82 LEU C C 82 177.436 177.436 176.070 1.366 19766 11570 1 18 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.010 2.140 19766 11571 1 18 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.815 0.458 19766 11572 1 18 . 1 1 82 82 LEU H H 82 8.702 8.702 8.726 -0.024 19766 11573 1 18 . 1 1 83 83 LYS N N 83 123.609 123.609 121.930 1.679 19766 11574 1 18 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.775 0.230 19766 11575 1 18 . 1 1 83 83 LYS C C 83 174.759 174.759 174.748 0.011 19766 11576 1 18 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.569 0.216 19766 11577 1 18 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.236 0.210 19766 11578 1 18 . 1 1 83 83 LYS H H 83 7.853 7.853 8.833 -0.980 19766 11579 1 18 . 1 1 84 84 ILE N N 84 125.547 125.547 128.269 -2.722 19766 11580 1 18 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.486 0.213 19766 11581 1 18 . 1 1 84 84 ILE C C 84 174.989 174.989 175.491 -0.502 19766 11582 1 18 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.144 -1.725 19766 11583 1 18 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.496 -0.129 19766 11584 1 18 . 1 1 84 84 ILE H H 84 8.719 8.719 8.708 0.011 19766 11585 1 18 . 1 1 85 85 ASP N N 85 124.650 124.650 124.459 0.191 19766 11586 1 18 . 1 1 85 85 ASP HA H 85 5.004 5.004 4.890 0.114 19766 11587 1 18 . 1 1 85 85 ASP C C 85 175.302 175.302 174.213 1.089 19766 11588 1 18 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.005 0.476 19766 11589 1 18 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.426 1.042 19766 11590 1 18 . 1 1 85 85 ASP H H 85 8.826 8.826 9.021 -0.195 19766 11591 1 18 . 1 1 86 86 HIS N N 86 121.936 121.936 118.143 3.793 19766 11592 1 18 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.175 -0.472 19766 11593 1 18 . 1 1 86 86 HIS C C 86 175.216 175.216 175.484 -0.268 19766 11594 1 18 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.238 1.706 19766 11595 1 18 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.914 -0.434 19766 11596 1 18 . 1 1 86 86 HIS H H 86 8.909 8.909 8.565 0.344 19766 11597 1 18 . 1 1 87 87 THR N N 87 116.612 116.612 116.854 -0.242 19766 11598 1 18 . 1 1 87 87 THR HA H 87 4.688 4.688 4.718 -0.030 19766 11599 1 18 . 1 1 87 87 THR CA C 87 61.030 61.030 61.167 -0.137 19766 11600 1 18 . 1 1 87 87 THR CB C 87 69.903 69.903 71.022 -1.119 19766 11601 1 18 . 1 1 87 87 THR H H 87 8.521 8.521 9.264 -0.743 19766 11602 1 18 . 1 1 88 88 PHE N N 88 123.233 123.233 124.713 -1.480 19766 11603 1 18 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.859 0.435 19766 11604 1 18 . 1 1 88 88 PHE C C 88 176.452 176.452 173.241 3.211 19766 11605 1 18 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.950 -1.017 19766 11606 1 18 . 1 1 88 88 PHE CB C 88 41.113 41.113 40.954 0.159 19766 11607 1 18 . 1 1 88 88 PHE H H 88 8.145 8.145 8.509 -0.364 19766 11608 1 18 . 1 1 89 89 TYR N N 89 122.872 122.872 128.436 -5.564 19766 11609 1 18 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.438 -0.364 19766 11610 1 18 . 1 1 89 89 TYR C C 89 173.089 173.089 174.384 -1.295 19766 11611 1 18 . 1 1 89 89 TYR CA C 89 57.529 57.529 57.028 0.501 19766 11612 1 18 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.199 0.609 19766 11613 1 18 . 1 1 89 89 TYR H H 89 8.242 8.242 8.091 0.151 19766 11614 1 18 . 1 1 90 90 ARG N N 90 128.867 128.867 129.306 -0.439 19766 11615 1 18 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.095 0.334 19766 11616 1 18 . 1 1 90 90 ARG CA C 90 51.568 51.568 52.413 -0.845 19766 11617 1 18 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.353 1.641 19766 11618 1 18 . 1 1 90 90 ARG H H 90 7.018 7.018 8.099 -1.081 19766 11619 1 18 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.776 0.414 19766 11620 1 18 . 1 1 91 91 PRO C C 91 176.284 176.284 176.181 0.103 19766 11621 1 18 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.196 0.293 19766 11622 1 18 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.828 1.219 19766 11623 1 18 . 1 1 92 92 LYS N N 92 119.987 119.987 123.758 -3.771 19766 11624 1 18 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.337 0.345 19766 11625 1 18 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.055 -1.368 19766 11626 1 18 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.074 1.986 19766 11627 1 18 . 1 1 92 92 LYS H H 92 8.672 8.672 8.574 0.098 19766 11628 1 18 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.226 -0.052 19766 11629 1 18 . 1 1 93 93 ARG C C 93 178.848 178.848 177.559 1.289 19766 11630 1 18 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.622 0.570 19766 11631 1 18 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.518 0.278 19766 11632 1 18 . 1 1 94 94 SER N N 94 112.252 112.252 115.993 -3.741 19766 11633 1 18 . 1 1 94 94 SER HA H 94 4.266 4.266 4.350 -0.084 19766 11634 1 18 . 1 1 94 94 SER C C 94 175.827 175.827 175.051 0.776 19766 11635 1 18 . 1 1 94 94 SER CA C 94 60.087 60.087 60.648 -0.561 19766 11636 1 18 . 1 1 94 94 SER CB C 94 62.266 62.266 62.659 -0.393 19766 11637 1 18 . 1 1 94 94 SER H H 94 8.353 8.353 8.313 0.040 19766 11638 1 18 . 1 1 95 95 LEU N N 95 122.261 122.261 120.078 2.183 19766 11639 1 18 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.570 0.095 19766 11640 1 18 . 1 1 95 95 LEU C C 95 175.444 175.444 176.512 -1.068 19766 11641 1 18 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.323 0.781 19766 11642 1 18 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.374 0.537 19766 11643 1 18 . 1 1 95 95 LEU H H 95 7.229 7.229 7.454 -0.225 19766 11644 1 18 . 1 1 96 96 GLN N N 96 118.873 118.873 120.377 -1.504 19766 11645 1 18 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.114 -0.021 19766 11646 1 18 . 1 1 96 96 GLN C C 96 177.668 177.668 177.477 0.191 19766 11647 1 18 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.447 1.263 19766 11648 1 18 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.442 0.539 19766 11649 1 18 . 1 1 96 96 GLN H H 96 7.390 7.390 7.495 -0.105 19766 11650 1 18 . 1 1 97 97 LYS N N 97 116.416 116.416 118.996 -2.580 19766 11651 1 18 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.180 -0.063 19766 11652 1 18 . 1 1 97 97 LYS C C 97 179.237 179.237 178.956 0.281 19766 11653 1 18 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.388 1.005 19766 11654 1 18 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.421 0.095 19766 11655 1 18 . 1 1 97 97 LYS H H 97 8.595 8.595 8.315 0.280 19766 11656 1 18 . 1 1 98 98 TYR N N 98 123.922 123.922 121.857 2.065 19766 11657 1 18 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.113 0.024 19766 11658 1 18 . 1 1 98 98 TYR C C 98 177.309 177.309 177.746 -0.437 19766 11659 1 18 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.921 0.308 19766 11660 1 18 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.416 -1.126 19766 11661 1 18 . 1 1 98 98 TYR H H 98 7.558 7.558 7.547 0.011 19766 11662 1 18 . 1 1 99 99 TYR N N 99 118.047 118.047 117.949 0.098 19766 11663 1 18 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.239 0.869 19766 11664 1 18 . 1 1 99 99 TYR CA C 99 57.898 57.898 59.747 -1.849 19766 11665 1 18 . 1 1 99 99 TYR CB C 99 37.222 37.222 37.834 -0.612 19766 11666 1 18 . 1 1 99 99 TYR H H 99 8.624 8.624 7.873 0.751 19766 11667 1 18 . 1 1 100 100 GLU N N 100 118.804 118.804 119.196 -0.392 19766 11668 1 18 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.986 0.080 19766 11669 1 18 . 1 1 100 100 GLU C C 100 178.595 178.595 178.725 -0.130 19766 11670 1 18 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.231 0.254 19766 11671 1 18 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.024 0.771 19766 11672 1 18 . 1 1 100 100 GLU H H 100 8.348 8.348 8.810 -0.462 19766 11673 1 18 . 1 1 101 101 ALA N N 101 123.315 123.315 122.021 1.294 19766 11674 1 18 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.004 0.291 19766 11675 1 18 . 1 1 101 101 ALA C C 101 181.438 181.438 179.612 1.826 19766 11676 1 18 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.751 0.107 19766 11677 1 18 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.436 0.241 19766 11678 1 18 . 1 1 101 101 ALA H H 101 7.963 7.963 7.620 0.343 19766 11679 1 18 . 1 1 102 102 VAL N N 102 120.092 120.092 118.630 1.462 19766 11680 1 18 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.443 0.334 19766 11681 1 18 . 1 1 102 102 VAL C C 102 176.958 176.958 178.199 -1.241 19766 11682 1 18 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.240 1.165 19766 11683 1 18 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.710 0.126 19766 11684 1 18 . 1 1 102 102 VAL H H 102 8.321 8.321 7.492 0.829 19766 11685 1 18 . 1 1 103 103 LYS N N 103 120.226 120.226 118.630 1.596 19766 11686 1 18 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.066 -0.140 19766 11687 1 18 . 1 1 103 103 LYS C C 103 178.354 178.354 178.685 -0.331 19766 11688 1 18 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.117 0.565 19766 11689 1 18 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.792 0.384 19766 11690 1 18 . 1 1 103 103 LYS H H 103 8.266 8.266 7.792 0.474 19766 11691 1 18 . 1 1 104 104 GLU N N 104 116.521 116.521 119.227 -2.706 19766 11692 1 18 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.137 -0.176 19766 11693 1 18 . 1 1 104 104 GLU C C 104 178.628 178.628 178.024 0.604 19766 11694 1 18 . 1 1 104 104 GLU CA C 104 59.110 59.110 58.659 0.451 19766 11695 1 18 . 1 1 104 104 GLU CB C 104 29.725 29.725 29.094 0.631 19766 11696 1 18 . 1 1 104 104 GLU H H 104 8.027 8.027 8.590 -0.563 19766 11697 1 18 . 1 1 105 105 GLU N N 105 118.569 118.569 118.240 0.329 19766 11698 1 18 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.258 -0.358 19766 11699 1 18 . 1 1 105 105 GLU C C 105 178.399 178.399 179.177 -0.778 19766 11700 1 18 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.734 0.530 19766 11701 1 18 . 1 1 105 105 GLU CB C 105 29.773 29.773 30.017 -0.244 19766 11702 1 18 . 1 1 105 105 GLU H H 105 7.225 7.225 7.772 -0.547 19766 11703 1 18 . 1 1 106 106 LEU N N 106 116.938 116.938 121.054 -4.116 19766 11704 1 18 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.028 0.005 19766 11705 1 18 . 1 1 106 106 LEU C C 106 179.770 179.770 179.073 0.697 19766 11706 1 18 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.510 -0.585 19766 11707 1 18 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.749 -1.464 19766 11708 1 18 . 1 1 106 106 LEU H H 106 8.273 8.273 7.416 0.857 19766 11709 1 18 . 1 1 107 107 ASP N N 107 119.855 119.855 118.941 0.914 19766 11710 1 18 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.346 0.202 19766 11711 1 18 . 1 1 107 107 ASP C C 107 177.891 177.891 177.627 0.264 19766 11712 1 18 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.398 -1.465 19766 11713 1 18 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.796 -0.082 19766 11714 1 18 . 1 1 107 107 ASP H H 107 8.286 8.286 8.813 -0.527 19766 11715 1 18 . 1 1 108 108 ARG N N 108 118.853 118.853 115.677 3.176 19766 11716 1 18 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.275 -0.194 19766 11717 1 18 . 1 1 108 108 ARG C C 108 177.325 177.325 177.806 -0.481 19766 11718 1 18 . 1 1 108 108 ARG CA C 108 58.009 58.009 55.976 2.033 19766 11719 1 18 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.531 0.873 19766 11720 1 18 . 1 1 108 108 ARG H H 108 7.406 7.406 7.484 -0.078 19766 11721 1 18 . 1 1 109 109 ASP N N 109 119.636 119.636 119.155 0.481 19766 11722 1 18 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.522 0.013 19766 11723 1 18 . 1 1 109 109 ASP C C 109 176.758 176.758 177.458 -0.700 19766 11724 1 18 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.980 -0.743 19766 11725 1 18 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.423 -0.678 19766 11726 1 18 . 1 1 109 109 ASP H H 109 7.853 7.853 7.797 0.056 19766 11727 1 18 . 1 1 110 110 ILE N N 110 119.905 119.905 118.761 1.144 19766 11728 1 18 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.068 0.036 19766 11729 1 18 . 1 1 110 110 ILE C C 110 176.642 176.642 176.498 0.144 19766 11730 1 18 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.131 -1.355 19766 11731 1 18 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.788 -0.334 19766 11732 1 18 . 1 1 110 110 ILE H H 110 7.623 7.623 7.043 0.580 19766 11733 1 18 . 1 1 111 111 VAL N N 111 122.938 122.938 121.055 1.883 19766 11734 1 18 . 1 1 111 111 VAL HA H 111 4.078 4.078 4.090 -0.012 19766 11735 1 18 . 1 1 111 111 VAL C C 111 176.668 176.668 175.391 1.277 19766 11736 1 18 . 1 1 111 111 VAL CA C 111 63.037 63.037 61.950 1.087 19766 11737 1 18 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.065 0.417 19766 11738 1 18 . 1 1 111 111 VAL H H 111 8.043 8.043 8.416 -0.373 19766 11739 1 18 . 1 1 112 112 SER N N 112 118.345 118.345 123.478 -5.133 19766 11740 1 18 . 1 1 112 112 SER HA H 112 4.417 4.417 4.492 -0.075 19766 11741 1 18 . 1 1 112 112 SER C C 112 174.925 174.925 174.170 0.755 19766 11742 1 18 . 1 1 112 112 SER CA C 112 58.848 58.848 59.226 -0.378 19766 11743 1 18 . 1 1 112 112 SER CB C 112 63.551 63.551 63.995 -0.444 19766 11744 1 18 . 1 1 112 112 SER H H 112 8.210 8.210 8.534 -0.324 19766 11745 1 18 . 1 1 113 113 LYS N N 113 122.729 122.729 122.858 -0.129 19766 11746 1 18 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.435 -0.117 19766 11747 1 18 . 1 1 113 113 LYS CA C 113 56.596 56.596 54.913 1.683 19766 11748 1 18 . 1 1 113 113 LYS CB C 113 32.846 32.846 31.870 0.976 19766 11749 1 18 . 1 1 113 113 LYS H H 113 8.295 8.295 7.874 0.421 19766 11750 1 18 . 1 1 114 114 ASN N N 114 119.243 119.243 124.376 -5.133 19766 11751 1 18 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.616 0.062 19766 11752 1 18 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.482 0.001 19766 11753 1 18 . 1 1 114 114 ASN CB C 114 38.858 38.858 38.895 -0.037 19766 11754 1 18 . 1 1 114 114 ASN H H 114 8.372 8.372 8.631 -0.259 19766 11755 1 18 . 1 1 115 115 ASN N N 115 119.155 119.155 122.425 -3.270 19766 11756 1 18 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.692 -0.010 19766 11757 1 18 . 1 1 115 115 ASN C C 115 174.877 174.877 174.365 0.512 19766 11758 1 18 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.982 0.501 19766 11759 1 18 . 1 1 115 115 ASN CB C 115 38.858 38.858 37.956 0.902 19766 11760 1 18 . 1 1 115 115 ASN H H 115 8.372 8.372 8.481 -0.109 19766 11761 1 18 . 1 1 116 116 ALA N N 116 123.743 123.743 126.029 -2.286 19766 11762 1 18 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.460 -0.131 19766 11763 1 18 . 1 1 116 116 ALA C C 116 177.574 177.574 176.785 0.789 19766 11764 1 18 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.853 0.840 19766 11765 1 18 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.730 -0.383 19766 11766 1 18 . 1 1 116 116 ALA H H 116 8.116 8.116 8.351 -0.235 19766 11767 1 18 . 1 1 117 117 GLU N N 117 120.161 120.161 121.218 -1.057 19766 11768 1 18 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.318 -0.045 19766 11769 1 18 . 1 1 117 117 GLU C C 117 175.557 175.557 175.690 -0.133 19766 11770 1 18 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.678 -0.019 19766 11771 1 18 . 1 1 117 117 GLU CB C 117 30.154 30.154 29.079 1.075 19766 11772 1 18 . 1 1 117 117 GLU H H 117 8.220 8.220 8.292 -0.072 19766 11773 1 19 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.470 -0.130 19766 11774 1 19 . 1 1 2 2 ALA C C 2 177.830 177.830 177.829 0.001 19766 11775 1 19 . 1 1 2 2 ALA CA C 2 52.693 52.693 53.875 -1.182 19766 11776 1 19 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.710 -0.351 19766 11777 1 19 . 1 1 3 3 MET N N 3 119.580 119.580 119.031 0.549 19766 11778 1 19 . 1 1 3 3 MET HA H 3 4.482 4.482 4.601 -0.119 19766 11779 1 19 . 1 1 3 3 MET C C 3 176.714 176.714 175.597 1.117 19766 11780 1 19 . 1 1 3 3 MET CA C 3 55.590 55.590 55.068 0.522 19766 11781 1 19 . 1 1 3 3 MET CB C 3 32.922 32.922 32.815 0.107 19766 11782 1 19 . 1 1 3 3 MET H H 3 8.451 8.451 7.789 0.662 19766 11783 1 19 . 1 1 4 4 GLY N N 4 109.951 109.951 111.513 -1.562 19766 11784 1 19 . 1 1 4 4 GLY C C 4 174.082 174.082 173.290 0.792 19766 11785 1 19 . 1 1 4 4 GLY CA C 4 45.466 45.466 44.976 0.490 19766 11786 1 19 . 1 1 4 4 GLY H H 4 8.400 8.400 8.092 0.308 19766 11787 1 19 . 1 1 5 5 ASN N N 5 118.667 118.667 118.369 0.298 19766 11788 1 19 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.652 0.032 19766 11789 1 19 . 1 1 5 5 ASN C C 5 175.489 175.489 176.349 -0.860 19766 11790 1 19 . 1 1 5 5 ASN CA C 5 53.501 53.501 53.463 0.038 19766 11791 1 19 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.279 0.687 19766 11792 1 19 . 1 1 5 5 ASN H H 5 8.378 8.378 8.875 -0.497 19766 11793 1 19 . 1 1 6 6 GLU N N 6 120.908 120.908 118.502 2.406 19766 11794 1 19 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.216 -0.050 19766 11795 1 19 . 1 1 6 6 GLU C C 6 176.336 176.336 177.157 -0.821 19766 11796 1 19 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.452 -0.183 19766 11797 1 19 . 1 1 6 6 GLU CB C 6 29.736 29.736 28.738 0.998 19766 11798 1 19 . 1 1 6 6 GLU H H 6 8.620 8.620 8.283 0.337 19766 11799 1 19 . 1 1 7 7 TYR N N 7 120.339 120.339 121.880 -1.541 19766 11800 1 19 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.155 0.345 19766 11801 1 19 . 1 1 7 7 TYR C C 7 175.808 175.808 176.043 -0.235 19766 11802 1 19 . 1 1 7 7 TYR CA C 7 58.151 58.151 61.225 -3.074 19766 11803 1 19 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.572 -0.378 19766 11804 1 19 . 1 1 7 7 TYR H H 7 8.045 8.045 7.638 0.407 19766 11805 1 19 . 1 1 8 8 LYS N N 8 121.700 121.700 116.075 5.625 19766 11806 1 19 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.241 -0.091 19766 11807 1 19 . 1 1 8 8 LYS C C 8 175.868 175.868 176.979 -1.111 19766 11808 1 19 . 1 1 8 8 LYS CA C 8 56.562 56.562 57.816 -1.254 19766 11809 1 19 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.787 0.371 19766 11810 1 19 . 1 1 8 8 LYS H H 8 7.829 7.829 8.072 -0.243 19766 11811 1 19 . 1 1 9 9 ASP N N 9 119.811 119.811 116.988 2.823 19766 11812 1 19 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.777 -0.139 19766 11813 1 19 . 1 1 9 9 ASP C C 9 175.972 175.972 175.509 0.463 19766 11814 1 19 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.619 0.005 19766 11815 1 19 . 1 1 9 9 ASP CB C 9 41.539 41.539 42.319 -0.780 19766 11816 1 19 . 1 1 9 9 ASP H H 9 8.137 8.137 8.085 0.052 19766 11817 1 19 . 1 1 10 10 ASN N N 10 119.794 119.794 118.840 0.954 19766 11818 1 19 . 1 1 10 10 ASN HA H 10 4.972 4.972 5.114 -0.142 19766 11819 1 19 . 1 1 10 10 ASN CA C 10 52.845 52.845 51.562 1.283 19766 11820 1 19 . 1 1 10 10 ASN CB C 10 38.759 38.759 36.889 1.870 19766 11821 1 19 . 1 1 10 10 ASN H H 10 8.292 8.292 7.934 0.358 19766 11822 1 19 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.533 0.070 19766 11823 1 19 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.686 0.563 19766 11824 1 19 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.392 -0.204 19766 11825 1 19 . 1 1 12 12 TYR N N 12 118.889 118.889 119.020 -0.131 19766 11826 1 19 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.295 -0.151 19766 11827 1 19 . 1 1 12 12 TYR C C 12 177.773 177.773 175.660 2.113 19766 11828 1 19 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.090 -0.907 19766 11829 1 19 . 1 1 12 12 TYR CB C 12 42.582 42.582 40.281 2.301 19766 11830 1 19 . 1 1 12 12 TYR H H 12 8.057 8.057 7.703 0.354 19766 11831 1 19 . 1 1 13 13 ILE N N 13 112.765 112.765 116.800 -4.035 19766 11832 1 19 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.209 -0.055 19766 11833 1 19 . 1 1 13 13 ILE C C 13 174.312 174.312 174.644 -0.332 19766 11834 1 19 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.167 0.869 19766 11835 1 19 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.273 -1.377 19766 11836 1 19 . 1 1 13 13 ILE H H 13 9.310 9.310 9.335 -0.025 19766 11837 1 19 . 1 1 14 14 TYR N N 14 124.417 124.417 128.831 -4.414 19766 11838 1 19 . 1 1 14 14 TYR HA H 14 4.707 4.707 5.010 -0.303 19766 11839 1 19 . 1 1 14 14 TYR C C 14 173.058 173.058 174.154 -1.096 19766 11840 1 19 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.606 -1.394 19766 11841 1 19 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.368 0.851 19766 11842 1 19 . 1 1 14 14 TYR H H 14 9.252 9.252 9.189 0.063 19766 11843 1 19 . 1 1 15 15 ILE N N 15 127.660 127.660 128.964 -1.304 19766 11844 1 19 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.149 -0.884 19766 11845 1 19 . 1 1 15 15 ILE C C 15 173.705 173.705 174.775 -1.070 19766 11846 1 19 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.597 -0.111 19766 11847 1 19 . 1 1 15 15 ILE CB C 15 40.002 40.002 38.980 1.022 19766 11848 1 19 . 1 1 15 15 ILE H H 15 8.558 8.558 8.769 -0.211 19766 11849 1 19 . 1 1 16 16 GLY N N 16 112.792 112.792 112.376 0.416 19766 11850 1 19 . 1 1 16 16 GLY C C 16 173.110 173.110 173.133 -0.023 19766 11851 1 19 . 1 1 16 16 GLY CA C 16 43.249 43.249 43.046 0.203 19766 11852 1 19 . 1 1 16 16 GLY H H 16 9.516 9.516 8.890 0.626 19766 11853 1 19 . 1 1 17 17 ASN N N 17 115.139 115.139 116.168 -1.029 19766 11854 1 19 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.209 0.187 19766 11855 1 19 . 1 1 17 17 ASN C C 17 174.854 174.854 174.182 0.672 19766 11856 1 19 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.675 -0.439 19766 11857 1 19 . 1 1 17 17 ASN CB C 17 37.933 37.933 37.864 0.069 19766 11858 1 19 . 1 1 17 17 ASN H H 17 8.511 8.511 8.306 0.205 19766 11859 1 19 . 1 1 18 18 LEU N N 18 114.660 114.660 118.442 -3.782 19766 11860 1 19 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.312 -0.276 19766 11861 1 19 . 1 1 18 18 LEU C C 18 178.161 178.161 176.411 1.750 19766 11862 1 19 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.988 -1.104 19766 11863 1 19 . 1 1 18 18 LEU CB C 18 42.562 42.562 42.875 -0.313 19766 11864 1 19 . 1 1 18 18 LEU H H 18 7.839 7.839 7.866 -0.027 19766 11865 1 19 . 1 1 19 19 ASN N N 19 122.707 122.707 117.971 4.736 19766 11866 1 19 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.731 -0.368 19766 11867 1 19 . 1 1 19 19 ASN C C 19 178.037 178.037 176.724 1.313 19766 11868 1 19 . 1 1 19 19 ASN CA C 19 54.604 54.604 52.118 2.486 19766 11869 1 19 . 1 1 19 19 ASN CB C 19 38.812 38.812 40.288 -1.476 19766 11870 1 19 . 1 1 19 19 ASN H H 19 8.779 8.779 8.527 0.252 19766 11871 1 19 . 1 1 20 20 ARG N N 20 128.724 128.724 124.168 4.556 19766 11872 1 19 . 1 1 20 20 ARG HA H 20 3.853 3.853 3.894 -0.041 19766 11873 1 19 . 1 1 20 20 ARG C C 20 175.612 175.612 176.603 -0.991 19766 11874 1 19 . 1 1 20 20 ARG CA C 20 58.774 58.774 59.076 -0.302 19766 11875 1 19 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.113 -0.429 19766 11876 1 19 . 1 1 20 20 ARG H H 20 8.954 8.954 8.740 0.214 19766 11877 1 19 . 1 1 21 21 GLU N N 21 117.609 117.609 114.408 3.201 19766 11878 1 19 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.186 0.087 19766 11879 1 19 . 1 1 21 21 GLU C C 21 177.285 177.285 176.571 0.714 19766 11880 1 19 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.496 0.286 19766 11881 1 19 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.902 1.596 19766 11882 1 19 . 1 1 21 21 GLU H H 21 9.092 9.092 8.249 0.843 19766 11883 1 19 . 1 1 22 22 LEU N N 22 116.169 116.169 123.594 -7.425 19766 11884 1 19 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.270 0.286 19766 11885 1 19 . 1 1 22 22 LEU C C 22 178.328 178.328 176.356 1.972 19766 11886 1 19 . 1 1 22 22 LEU CA C 22 55.656 55.656 55.035 0.621 19766 11887 1 19 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.630 0.596 19766 11888 1 19 . 1 1 22 22 LEU H H 22 7.208 7.208 7.667 -0.459 19766 11889 1 19 . 1 1 23 23 THR N N 23 113.733 113.733 116.137 -2.404 19766 11890 1 19 . 1 1 23 23 THR HA H 23 4.349 4.349 4.586 -0.237 19766 11891 1 19 . 1 1 23 23 THR C C 23 175.225 175.225 175.394 -0.169 19766 11892 1 19 . 1 1 23 23 THR CA C 23 59.960 59.960 59.625 0.335 19766 11893 1 19 . 1 1 23 23 THR CB C 23 72.172 72.172 71.854 0.318 19766 11894 1 19 . 1 1 23 23 THR H H 23 8.732 8.732 8.083 0.649 19766 11895 1 19 . 1 1 24 24 GLU N N 24 119.838 119.838 123.757 -3.919 19766 11896 1 19 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.001 -0.344 19766 11897 1 19 . 1 1 24 24 GLU C C 24 178.983 178.983 178.494 0.489 19766 11898 1 19 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.977 2.594 19766 11899 1 19 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.204 -1.858 19766 11900 1 19 . 1 1 24 24 GLU H H 24 9.761 9.761 9.095 0.666 19766 11901 1 19 . 1 1 25 25 GLY N N 25 104.462 104.462 106.031 -1.569 19766 11902 1 19 . 1 1 25 25 GLY C C 25 175.139 175.139 175.921 -0.782 19766 11903 1 19 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.723 0.882 19766 11904 1 19 . 1 1 25 25 GLY H H 25 8.486 8.486 7.801 0.685 19766 11905 1 19 . 1 1 26 26 ASP N N 26 123.296 123.296 122.273 1.023 19766 11906 1 19 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.625 -0.055 19766 11907 1 19 . 1 1 26 26 ASP C C 26 178.135 178.135 178.322 -0.187 19766 11908 1 19 . 1 1 26 26 ASP CA C 26 57.812 57.812 56.294 1.518 19766 11909 1 19 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.144 0.741 19766 11910 1 19 . 1 1 26 26 ASP H H 26 7.960 7.960 7.746 0.214 19766 11911 1 19 . 1 1 27 27 ILE N N 27 118.853 118.853 121.043 -2.190 19766 11912 1 19 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.731 -0.124 19766 11913 1 19 . 1 1 27 27 ILE C C 27 178.424 178.424 177.902 0.522 19766 11914 1 19 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.501 0.240 19766 11915 1 19 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.881 -0.169 19766 11916 1 19 . 1 1 27 27 ILE H H 27 8.159 8.159 7.829 0.330 19766 11917 1 19 . 1 1 28 28 LEU N N 28 118.549 118.549 119.809 -1.260 19766 11918 1 19 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.883 0.021 19766 11919 1 19 . 1 1 28 28 LEU C C 28 180.057 180.057 179.655 0.402 19766 11920 1 19 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.475 0.056 19766 11921 1 19 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.043 0.902 19766 11922 1 19 . 1 1 28 28 LEU H H 28 8.414 8.414 8.325 0.089 19766 11923 1 19 . 1 1 29 29 THR N N 29 122.156 122.156 114.824 7.332 19766 11924 1 19 . 1 1 29 29 THR HA H 29 4.032 4.032 3.900 0.132 19766 11925 1 19 . 1 1 29 29 THR C C 29 175.113 175.113 176.087 -0.974 19766 11926 1 19 . 1 1 29 29 THR CA C 29 66.754 66.754 66.322 0.432 19766 11927 1 19 . 1 1 29 29 THR CB C 29 68.490 68.490 68.721 -0.231 19766 11928 1 19 . 1 1 29 29 THR H H 29 8.715 8.715 7.903 0.812 19766 11929 1 19 . 1 1 30 30 VAL N N 30 116.487 116.487 114.830 1.657 19766 11930 1 19 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.951 -0.120 19766 11931 1 19 . 1 1 30 30 VAL C C 30 179.968 179.968 178.101 1.867 19766 11932 1 19 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.170 1.345 19766 11933 1 19 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.370 1.674 19766 11934 1 19 . 1 1 30 30 VAL H H 30 7.713 7.713 7.701 0.012 19766 11935 1 19 . 1 1 31 31 PHE N N 31 113.658 113.658 121.275 -7.617 19766 11936 1 19 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.198 -0.331 19766 11937 1 19 . 1 1 31 31 PHE C C 31 179.577 179.577 177.703 1.874 19766 11938 1 19 . 1 1 31 31 PHE CA C 31 62.403 62.403 61.339 1.064 19766 11939 1 19 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.294 -0.981 19766 11940 1 19 . 1 1 31 31 PHE H H 31 8.876 8.876 8.741 0.135 19766 11941 1 19 . 1 1 32 32 SER N N 32 118.635 118.635 114.587 4.048 19766 11942 1 19 . 1 1 32 32 SER HA H 32 5.381 5.381 4.577 0.804 19766 11943 1 19 . 1 1 32 32 SER C C 32 172.662 172.662 176.386 -3.724 19766 11944 1 19 . 1 1 32 32 SER CA C 32 61.338 61.338 60.530 0.808 19766 11945 1 19 . 1 1 32 32 SER CB C 32 63.875 63.875 62.816 1.060 19766 11946 1 19 . 1 1 32 32 SER H H 32 8.106 8.106 8.427 -0.321 19766 11947 1 19 . 1 1 33 33 GLU N N 33 121.234 121.234 122.996 -1.762 19766 11948 1 19 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.101 -1.944 19766 11949 1 19 . 1 1 33 33 GLU C C 33 174.223 174.223 177.490 -3.267 19766 11950 1 19 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.875 0.765 19766 11951 1 19 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.770 -1.939 19766 11952 1 19 . 1 1 33 33 GLU H H 33 6.964 6.964 7.563 -0.599 19766 11953 1 19 . 1 1 34 34 TYR N N 34 107.930 107.930 112.379 -4.449 19766 11954 1 19 . 1 1 34 34 TYR HA H 34 4.153 4.153 5.000 -0.847 19766 11955 1 19 . 1 1 34 34 TYR C C 34 173.208 173.208 174.476 -1.268 19766 11956 1 19 . 1 1 34 34 TYR CA C 34 57.329 57.329 55.627 1.702 19766 11957 1 19 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.618 0.260 19766 11958 1 19 . 1 1 34 34 TYR H H 34 6.229 6.229 7.098 -0.869 19766 11959 1 19 . 1 1 35 35 GLY N N 35 103.542 103.542 106.536 -2.994 19766 11960 1 19 . 1 1 35 35 GLY C C 35 170.379 170.379 171.793 -1.414 19766 11961 1 19 . 1 1 35 35 GLY CA C 35 44.679 44.679 45.399 -0.720 19766 11962 1 19 . 1 1 35 35 GLY H H 35 7.257 7.257 7.169 0.088 19766 11963 1 19 . 1 1 36 36 VAL N N 36 120.446 120.446 120.571 -0.125 19766 11964 1 19 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.423 0.081 19766 11965 1 19 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.148 0.567 19766 11966 1 19 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.851 0.180 19766 11967 1 19 . 1 1 36 36 VAL H H 36 8.438 8.438 8.381 0.057 19766 11968 1 19 . 1 1 37 37 PRO HA H 37 4.703 4.703 3.927 0.776 19766 11969 1 19 . 1 1 37 37 PRO CA C 37 62.374 62.374 63.108 -0.734 19766 11970 1 19 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.603 0.468 19766 11971 1 19 . 1 1 38 38 VAL N N 38 113.929 113.929 122.143 -8.214 19766 11972 1 19 . 1 1 38 38 VAL HA H 38 4.482 4.482 3.902 0.580 19766 11973 1 19 . 1 1 38 38 VAL CA C 38 60.454 60.454 63.915 -3.461 19766 11974 1 19 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.772 -0.268 19766 11975 1 19 . 1 1 38 38 VAL H H 38 8.966 8.966 8.419 0.547 19766 11976 1 19 . 1 1 39 39 ASP N N 39 118.213 118.213 116.145 2.068 19766 11977 1 19 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.838 -0.163 19766 11978 1 19 . 1 1 39 39 ASP C C 39 174.637 174.637 173.433 1.204 19766 11979 1 19 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.178 1.510 19766 11980 1 19 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.892 -1.085 19766 11981 1 19 . 1 1 39 39 ASP H H 39 7.500 7.500 7.713 -0.213 19766 11982 1 19 . 1 1 40 40 VAL N N 40 121.576 121.576 122.373 -0.797 19766 11983 1 19 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.969 0.022 19766 11984 1 19 . 1 1 40 40 VAL C C 40 170.562 170.562 173.292 -2.730 19766 11985 1 19 . 1 1 40 40 VAL CA C 40 60.358 60.358 60.135 0.224 19766 11986 1 19 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.628 -0.409 19766 11987 1 19 . 1 1 40 40 VAL H H 40 7.657 7.657 8.486 -0.829 19766 11988 1 19 . 1 1 41 41 ILE N N 41 125.384 125.384 122.949 2.435 19766 11989 1 19 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.721 0.097 19766 11990 1 19 . 1 1 41 41 ILE C C 41 175.425 175.425 173.027 2.398 19766 11991 1 19 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.251 2.240 19766 11992 1 19 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.712 1.844 19766 11993 1 19 . 1 1 41 41 ILE H H 41 8.901 8.901 8.937 -0.036 19766 11994 1 19 . 1 1 42 42 LEU N N 42 128.888 128.888 127.725 1.163 19766 11995 1 19 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.651 -0.190 19766 11996 1 19 . 1 1 42 42 LEU C C 42 174.934 174.934 175.771 -0.837 19766 11997 1 19 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.383 -0.006 19766 11998 1 19 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.312 0.228 19766 11999 1 19 . 1 1 42 42 LEU H H 42 8.344 8.344 9.009 -0.665 19766 12000 1 19 . 1 1 43 43 SER N N 43 122.818 122.818 121.959 0.859 19766 12001 1 19 . 1 1 43 43 SER HA H 43 3.876 3.876 4.447 -0.571 19766 12002 1 19 . 1 1 43 43 SER C C 43 173.869 173.869 173.324 0.545 19766 12003 1 19 . 1 1 43 43 SER CA C 43 59.688 59.688 58.374 1.314 19766 12004 1 19 . 1 1 43 43 SER CB C 43 62.673 62.673 62.597 0.076 19766 12005 1 19 . 1 1 43 43 SER H H 43 8.362 8.362 8.831 -0.469 19766 12006 1 19 . 1 1 44 44 ARG N N 44 128.045 128.045 126.857 1.188 19766 12007 1 19 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.051 -0.222 19766 12008 1 19 . 1 1 44 44 ARG C C 44 175.031 175.031 175.711 -0.680 19766 12009 1 19 . 1 1 44 44 ARG CA C 44 54.062 54.062 54.336 -0.274 19766 12010 1 19 . 1 1 44 44 ARG CB C 44 34.298 34.298 32.829 1.469 19766 12011 1 19 . 1 1 44 44 ARG H H 44 8.079 8.079 7.733 0.346 19766 12012 1 19 . 1 1 45 45 ASP N N 45 123.491 123.491 123.968 -0.477 19766 12013 1 19 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.476 -0.239 19766 12014 1 19 . 1 1 45 45 ASP C C 45 177.487 177.487 176.623 0.864 19766 12015 1 19 . 1 1 45 45 ASP CA C 45 54.917 54.917 55.051 -0.134 19766 12016 1 19 . 1 1 45 45 ASP CB C 45 43.611 43.611 43.019 0.592 19766 12017 1 19 . 1 1 45 45 ASP H H 45 8.663 8.663 8.436 0.227 19766 12018 1 19 . 1 1 46 46 GLU N N 46 125.446 125.446 126.436 -0.990 19766 12019 1 19 . 1 1 46 46 GLU HA H 46 3.907 3.907 3.982 -0.075 19766 12020 1 19 . 1 1 46 46 GLU C C 46 175.655 175.655 177.218 -1.563 19766 12021 1 19 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.731 0.142 19766 12022 1 19 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.879 -0.225 19766 12023 1 19 . 1 1 46 46 GLU H H 46 9.007 9.007 8.697 0.310 19766 12024 1 19 . 1 1 47 47 ASN N N 47 115.343 115.343 115.593 -0.250 19766 12025 1 19 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.690 0.194 19766 12026 1 19 . 1 1 47 47 ASN C C 47 176.665 176.665 177.007 -0.342 19766 12027 1 19 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.598 0.341 19766 12028 1 19 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.893 0.337 19766 12029 1 19 . 1 1 47 47 ASN H H 47 8.947 8.947 8.580 0.367 19766 12030 1 19 . 1 1 48 48 THR N N 48 107.604 107.604 112.772 -5.168 19766 12031 1 19 . 1 1 48 48 THR HA H 48 4.468 4.468 4.444 0.024 19766 12032 1 19 . 1 1 48 48 THR C C 48 176.465 176.465 175.332 1.133 19766 12033 1 19 . 1 1 48 48 THR CA C 48 61.555 61.555 62.171 -0.616 19766 12034 1 19 . 1 1 48 48 THR CB C 48 71.342 71.342 70.103 1.239 19766 12035 1 19 . 1 1 48 48 THR H H 48 8.450 8.450 8.360 0.090 19766 12036 1 19 . 1 1 49 49 GLY N N 49 111.809 111.809 110.467 1.342 19766 12037 1 19 . 1 1 49 49 GLY C C 49 173.193 173.193 173.185 0.008 19766 12038 1 19 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.715 0.008 19766 12039 1 19 . 1 1 49 49 GLY H H 49 8.632 8.632 7.633 0.999 19766 12040 1 19 . 1 1 50 50 GLU N N 50 120.089 120.089 116.818 3.271 19766 12041 1 19 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.438 -0.305 19766 12042 1 19 . 1 1 50 50 GLU C C 50 176.586 176.586 175.919 0.667 19766 12043 1 19 . 1 1 50 50 GLU CA C 50 56.532 56.532 55.035 1.497 19766 12044 1 19 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.995 0.089 19766 12045 1 19 . 1 1 50 50 GLU H H 50 7.825 7.825 8.131 -0.306 19766 12046 1 19 . 1 1 51 51 SER N N 51 115.686 115.686 121.380 -5.694 19766 12047 1 19 . 1 1 51 51 SER HA H 51 4.273 4.273 4.414 -0.141 19766 12048 1 19 . 1 1 51 51 SER C C 51 176.516 176.516 175.455 1.061 19766 12049 1 19 . 1 1 51 51 SER CA C 51 58.415 58.415 58.743 -0.328 19766 12050 1 19 . 1 1 51 51 SER CB C 51 64.668 64.668 62.797 1.871 19766 12051 1 19 . 1 1 51 51 SER H H 51 8.871 8.871 8.848 0.023 19766 12052 1 19 . 1 1 52 52 GLN N N 52 123.284 123.284 126.972 -3.688 19766 12053 1 19 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.158 0.333 19766 12054 1 19 . 1 1 52 52 GLN C C 52 177.471 177.471 176.727 0.744 19766 12055 1 19 . 1 1 52 52 GLN CA C 52 55.147 55.147 57.321 -2.174 19766 12056 1 19 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.122 0.758 19766 12057 1 19 . 1 1 52 52 GLN H H 52 9.103 9.103 8.558 0.545 19766 12058 1 19 . 1 1 53 53 GLY N N 53 105.865 105.865 105.084 0.781 19766 12059 1 19 . 1 1 53 53 GLY C C 53 172.010 172.010 173.060 -1.050 19766 12060 1 19 . 1 1 53 53 GLY CA C 53 46.645 46.645 44.739 1.906 19766 12061 1 19 . 1 1 53 53 GLY H H 53 8.888 8.888 8.369 0.519 19766 12062 1 19 . 1 1 54 54 PHE N N 54 112.097 112.097 118.459 -6.362 19766 12063 1 19 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.363 -0.017 19766 12064 1 19 . 1 1 54 54 PHE C C 54 171.548 171.548 173.335 -1.787 19766 12065 1 19 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.692 -0.021 19766 12066 1 19 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.735 -2.055 19766 12067 1 19 . 1 1 54 54 PHE H H 54 6.879 6.879 7.255 -0.376 19766 12068 1 19 . 1 1 55 55 ALA N N 55 122.332 122.332 121.504 0.828 19766 12069 1 19 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.901 0.222 19766 12070 1 19 . 1 1 55 55 ALA C C 55 173.074 173.074 174.623 -1.549 19766 12071 1 19 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.802 -1.273 19766 12072 1 19 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.745 2.994 19766 12073 1 19 . 1 1 55 55 ALA H H 55 9.051 9.051 8.877 0.174 19766 12074 1 19 . 1 1 56 56 TYR N N 56 115.022 115.022 116.830 -1.808 19766 12075 1 19 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.810 -0.136 19766 12076 1 19 . 1 1 56 56 TYR C C 56 175.292 175.292 174.307 0.985 19766 12077 1 19 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.326 -0.745 19766 12078 1 19 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.545 -0.198 19766 12079 1 19 . 1 1 56 56 TYR H H 56 9.007 9.007 8.985 0.022 19766 12080 1 19 . 1 1 57 57 LEU N N 57 122.695 122.695 121.012 1.683 19766 12081 1 19 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.196 -0.437 19766 12082 1 19 . 1 1 57 57 LEU C C 57 172.173 172.173 174.317 -2.144 19766 12083 1 19 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.573 1.243 19766 12084 1 19 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.332 0.574 19766 12085 1 19 . 1 1 57 57 LEU H H 57 8.648 8.648 9.052 -0.404 19766 12086 1 19 . 1 1 58 58 LYS N N 58 125.954 125.954 121.548 4.406 19766 12087 1 19 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.984 -0.519 19766 12088 1 19 . 1 1 58 58 LYS C C 58 174.900 174.900 174.784 0.116 19766 12089 1 19 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.737 -0.114 19766 12090 1 19 . 1 1 58 58 LYS CB C 58 36.546 36.546 36.208 0.338 19766 12091 1 19 . 1 1 58 58 LYS H H 58 7.948 7.948 8.688 -0.740 19766 12092 1 19 . 1 1 59 59 TYR N N 59 126.396 126.396 124.344 2.052 19766 12093 1 19 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.602 0.498 19766 12094 1 19 . 1 1 59 59 TYR CA C 59 57.974 57.974 58.228 -0.254 19766 12095 1 19 . 1 1 59 59 TYR CB C 59 42.498 42.498 39.999 2.499 19766 12096 1 19 . 1 1 59 59 TYR H H 59 9.007 9.007 8.198 0.809 19766 12097 1 19 . 1 1 60 60 GLU N N 60 120.848 120.848 120.100 0.748 19766 12098 1 19 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.139 -0.266 19766 12099 1 19 . 1 1 60 60 GLU C C 60 175.081 175.081 175.668 -0.587 19766 12100 1 19 . 1 1 60 60 GLU CA C 60 59.053 59.053 57.932 1.121 19766 12101 1 19 . 1 1 60 60 GLU CB C 60 30.867 30.867 30.638 0.229 19766 12102 1 19 . 1 1 60 60 GLU H H 60 8.973 8.973 9.015 -0.042 19766 12103 1 19 . 1 1 61 61 ASP N N 61 117.604 117.604 118.485 -0.881 19766 12104 1 19 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.783 0.083 19766 12105 1 19 . 1 1 61 61 ASP C C 61 176.598 176.598 176.279 0.319 19766 12106 1 19 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.491 -2.379 19766 12107 1 19 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.229 1.195 19766 12108 1 19 . 1 1 61 61 ASP H H 61 8.017 8.017 7.963 0.054 19766 12109 1 19 . 1 1 62 62 GLN N N 62 126.427 126.427 127.378 -0.951 19766 12110 1 19 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.142 0.128 19766 12111 1 19 . 1 1 62 62 GLN C C 62 178.514 178.514 177.567 0.947 19766 12112 1 19 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.185 0.320 19766 12113 1 19 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.816 -0.843 19766 12114 1 19 . 1 1 62 62 GLN H H 62 9.007 9.007 9.042 -0.035 19766 12115 1 19 . 1 1 63 63 ARG N N 63 121.369 121.369 119.044 2.325 19766 12116 1 19 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.169 -0.449 19766 12117 1 19 . 1 1 63 63 ARG C C 63 178.566 178.566 178.590 -0.024 19766 12118 1 19 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.098 -0.016 19766 12119 1 19 . 1 1 63 63 ARG H H 63 9.013 9.013 8.859 0.154 19766 12120 1 19 . 1 1 64 64 SER N N 64 115.216 115.216 114.297 0.919 19766 12121 1 19 . 1 1 64 64 SER HA H 64 3.746 3.746 4.229 -0.483 19766 12122 1 19 . 1 1 64 64 SER C C 64 175.695 175.695 175.983 -0.288 19766 12123 1 19 . 1 1 64 64 SER CA C 64 63.651 63.651 61.064 2.587 19766 12124 1 19 . 1 1 64 64 SER H H 64 8.207 8.207 7.891 0.316 19766 12125 1 19 . 1 1 65 65 THR N N 65 111.402 111.402 120.099 -8.697 19766 12126 1 19 . 1 1 65 65 THR HA H 65 3.785 3.785 4.234 -0.449 19766 12127 1 19 . 1 1 65 65 THR C C 65 175.556 175.556 176.415 -0.859 19766 12128 1 19 . 1 1 65 65 THR CA C 65 66.178 66.178 67.140 -0.962 19766 12129 1 19 . 1 1 65 65 THR CB C 65 68.414 68.414 68.696 -0.282 19766 12130 1 19 . 1 1 65 65 THR H H 65 7.640 7.640 7.524 0.116 19766 12131 1 19 . 1 1 66 66 ILE N N 66 122.905 122.905 121.859 1.046 19766 12132 1 19 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.877 -0.175 19766 12133 1 19 . 1 1 66 66 ILE C C 66 177.292 177.292 178.159 -0.867 19766 12134 1 19 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.191 -0.937 19766 12135 1 19 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.896 0.503 19766 12136 1 19 . 1 1 66 66 ILE H H 66 6.702 6.702 8.168 -1.466 19766 12137 1 19 . 1 1 67 67 LEU N N 67 114.425 114.425 121.016 -6.591 19766 12138 1 19 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.872 -0.142 19766 12139 1 19 . 1 1 67 67 LEU C C 67 179.641 179.641 177.963 1.678 19766 12140 1 19 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.862 -0.275 19766 12141 1 19 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.427 0.255 19766 12142 1 19 . 1 1 67 67 LEU H H 67 6.975 6.975 7.907 -0.932 19766 12143 1 19 . 1 1 68 68 ALA N N 68 120.639 120.639 121.042 -0.403 19766 12144 1 19 . 1 1 68 68 ALA HA H 68 3.435 3.435 4.020 -0.585 19766 12145 1 19 . 1 1 68 68 ALA C C 68 179.087 179.087 180.260 -1.173 19766 12146 1 19 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.840 0.896 19766 12147 1 19 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.616 0.397 19766 12148 1 19 . 1 1 68 68 ALA H H 68 8.225 8.225 8.089 0.136 19766 12149 1 19 . 1 1 69 69 VAL N N 69 118.866 118.866 117.097 1.769 19766 12150 1 19 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.626 -0.387 19766 12151 1 19 . 1 1 69 69 VAL C C 69 178.798 178.798 177.194 1.604 19766 12152 1 19 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.173 0.852 19766 12153 1 19 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.924 -0.087 19766 12154 1 19 . 1 1 69 69 VAL H H 69 8.162 8.162 7.603 0.559 19766 12155 1 19 . 1 1 70 70 ASP N N 70 117.230 117.230 113.753 3.477 19766 12156 1 19 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.595 -0.541 19766 12157 1 19 . 1 1 70 70 ASP C C 70 178.297 178.297 177.139 1.158 19766 12158 1 19 . 1 1 70 70 ASP CA C 70 57.269 57.269 54.605 2.664 19766 12159 1 19 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.334 -1.712 19766 12160 1 19 . 1 1 70 70 ASP H H 70 8.262 8.262 7.929 0.333 19766 12161 1 19 . 1 1 71 71 ASN N N 71 111.214 111.214 116.524 -5.310 19766 12162 1 19 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.564 0.299 19766 12163 1 19 . 1 1 71 71 ASN C C 71 176.614 176.614 176.163 0.451 19766 12164 1 19 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.480 1.121 19766 12165 1 19 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.039 2.561 19766 12166 1 19 . 1 1 71 71 ASN H H 71 7.541 7.541 7.914 -0.373 19766 12167 1 19 . 1 1 72 72 LEU N N 72 116.127 116.127 119.706 -3.579 19766 12168 1 19 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.292 0.357 19766 12169 1 19 . 1 1 72 72 LEU C C 72 177.465 177.465 176.218 1.247 19766 12170 1 19 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.027 -0.676 19766 12171 1 19 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.871 0.677 19766 12172 1 19 . 1 1 72 72 LEU H H 72 8.323 8.323 7.269 1.054 19766 12173 1 19 . 1 1 73 73 ASN N N 73 118.792 118.792 117.965 0.827 19766 12174 1 19 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.614 -0.203 19766 12175 1 19 . 1 1 73 73 ASN C C 73 177.085 177.085 176.568 0.517 19766 12176 1 19 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.923 1.631 19766 12177 1 19 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.074 1.384 19766 12178 1 19 . 1 1 73 73 ASN H H 73 6.965 6.965 7.784 -0.819 19766 12179 1 19 . 1 1 74 74 GLY N N 74 115.779 115.779 114.150 1.629 19766 12180 1 19 . 1 1 74 74 GLY C C 74 172.848 172.848 173.727 -0.879 19766 12181 1 19 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.977 0.781 19766 12182 1 19 . 1 1 74 74 GLY H H 74 9.389 9.389 8.916 0.473 19766 12183 1 19 . 1 1 75 75 PHE N N 75 123.194 123.194 123.215 -0.021 19766 12184 1 19 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.445 -0.158 19766 12185 1 19 . 1 1 75 75 PHE C C 75 174.778 174.778 174.249 0.529 19766 12186 1 19 . 1 1 75 75 PHE CA C 75 58.873 58.873 57.852 1.021 19766 12187 1 19 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.337 1.265 19766 12188 1 19 . 1 1 75 75 PHE H H 75 8.133 8.133 8.172 -0.039 19766 12189 1 19 . 1 1 76 76 LYS N N 76 127.364 127.364 128.203 -0.839 19766 12190 1 19 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.366 0.305 19766 12191 1 19 . 1 1 76 76 LYS C C 76 175.286 175.286 175.570 -0.284 19766 12192 1 19 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.852 0.400 19766 12193 1 19 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.255 0.946 19766 12194 1 19 . 1 1 76 76 LYS H H 76 7.596 7.596 8.087 -0.491 19766 12195 1 19 . 1 1 77 77 ILE N N 77 120.094 120.094 127.388 -7.294 19766 12196 1 19 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.218 0.140 19766 12197 1 19 . 1 1 77 77 ILE C C 77 177.519 177.519 175.858 1.661 19766 12198 1 19 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.954 -0.451 19766 12199 1 19 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.607 1.029 19766 12200 1 19 . 1 1 77 77 ILE H H 77 8.004 8.004 8.996 -0.992 19766 12201 1 19 . 1 1 78 78 GLY N N 78 119.932 119.932 115.841 4.091 19766 12202 1 19 . 1 1 78 78 GLY C C 78 175.944 175.944 175.389 0.555 19766 12203 1 19 . 1 1 78 78 GLY CA C 78 47.219 47.219 44.961 2.258 19766 12204 1 19 . 1 1 78 78 GLY H H 78 10.183 10.183 8.995 1.188 19766 12205 1 19 . 1 1 79 79 GLY N N 79 104.505 104.505 104.373 0.132 19766 12206 1 19 . 1 1 79 79 GLY C C 79 173.347 173.347 173.831 -0.484 19766 12207 1 19 . 1 1 79 79 GLY CA C 79 45.092 45.092 45.001 0.091 19766 12208 1 19 . 1 1 79 79 GLY H H 79 8.892 8.892 8.448 0.444 19766 12209 1 19 . 1 1 80 80 ARG N N 80 119.144 119.144 119.544 -0.400 19766 12210 1 19 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.683 -0.017 19766 12211 1 19 . 1 1 80 80 ARG C C 80 174.693 174.693 174.208 0.485 19766 12212 1 19 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.126 0.552 19766 12213 1 19 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.495 0.912 19766 12214 1 19 . 1 1 80 80 ARG H H 80 7.281 7.281 7.380 -0.099 19766 12215 1 19 . 1 1 81 81 ALA N N 81 126.229 126.229 125.805 0.424 19766 12216 1 19 . 1 1 81 81 ALA HA H 81 4.201 4.201 4.995 -0.794 19766 12217 1 19 . 1 1 81 81 ALA C C 81 176.967 176.967 177.337 -0.370 19766 12218 1 19 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.904 0.225 19766 12219 1 19 . 1 1 81 81 ALA CB C 81 19.200 19.200 19.956 -0.756 19766 12220 1 19 . 1 1 81 81 ALA H H 81 8.673 8.673 8.514 0.159 19766 12221 1 19 . 1 1 82 82 LEU N N 82 125.471 125.471 120.092 5.379 19766 12222 1 19 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.966 -0.542 19766 12223 1 19 . 1 1 82 82 LEU C C 82 177.436 177.436 176.149 1.287 19766 12224 1 19 . 1 1 82 82 LEU CA C 82 56.150 56.150 53.890 2.260 19766 12225 1 19 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.461 0.812 19766 12226 1 19 . 1 1 82 82 LEU H H 82 8.702 8.702 8.221 0.481 19766 12227 1 19 . 1 1 83 83 LYS N N 83 123.609 123.609 121.126 2.483 19766 12228 1 19 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.190 -0.185 19766 12229 1 19 . 1 1 83 83 LYS C C 83 174.759 174.759 175.200 -0.441 19766 12230 1 19 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.074 0.711 19766 12231 1 19 . 1 1 83 83 LYS CB C 83 34.446 34.446 35.131 -0.685 19766 12232 1 19 . 1 1 83 83 LYS H H 83 7.853 7.853 8.795 -0.942 19766 12233 1 19 . 1 1 84 84 ILE N N 84 125.547 125.547 126.666 -1.119 19766 12234 1 19 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.456 0.243 19766 12235 1 19 . 1 1 84 84 ILE C C 84 174.989 174.989 175.199 -0.210 19766 12236 1 19 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.891 -1.472 19766 12237 1 19 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.081 -0.714 19766 12238 1 19 . 1 1 84 84 ILE H H 84 8.719 8.719 8.671 0.048 19766 12239 1 19 . 1 1 85 85 ASP N N 85 124.650 124.650 125.903 -1.253 19766 12240 1 19 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.003 0.001 19766 12241 1 19 . 1 1 85 85 ASP C C 85 175.302 175.302 174.665 0.637 19766 12242 1 19 . 1 1 85 85 ASP CA C 85 52.481 52.481 51.484 0.997 19766 12243 1 19 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.811 0.658 19766 12244 1 19 . 1 1 85 85 ASP H H 85 8.826 8.826 9.022 -0.196 19766 12245 1 19 . 1 1 86 86 HIS N N 86 121.936 121.936 120.506 1.430 19766 12246 1 19 . 1 1 86 86 HIS HA H 86 4.703 4.703 4.856 -0.153 19766 12247 1 19 . 1 1 86 86 HIS C C 86 175.216 175.216 175.275 -0.059 19766 12248 1 19 . 1 1 86 86 HIS CA C 86 57.944 57.944 57.446 0.498 19766 12249 1 19 . 1 1 86 86 HIS CB C 86 31.480 31.480 30.254 1.226 19766 12250 1 19 . 1 1 86 86 HIS H H 86 8.909 8.909 8.754 0.155 19766 12251 1 19 . 1 1 87 87 THR N N 87 116.612 116.612 117.582 -0.970 19766 12252 1 19 . 1 1 87 87 THR HA H 87 4.688 4.688 4.780 -0.092 19766 12253 1 19 . 1 1 87 87 THR CA C 87 61.030 61.030 60.154 0.876 19766 12254 1 19 . 1 1 87 87 THR CB C 87 69.903 69.903 71.435 -1.532 19766 12255 1 19 . 1 1 87 87 THR H H 87 8.521 8.521 8.873 -0.352 19766 12256 1 19 . 1 1 88 88 PHE N N 88 123.233 123.233 122.898 0.335 19766 12257 1 19 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.989 0.305 19766 12258 1 19 . 1 1 88 88 PHE C C 88 176.452 176.452 173.557 2.895 19766 12259 1 19 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.508 -0.575 19766 12260 1 19 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.866 -0.753 19766 12261 1 19 . 1 1 88 88 PHE H H 88 8.145 8.145 8.458 -0.313 19766 12262 1 19 . 1 1 89 89 TYR N N 89 122.872 122.872 123.762 -0.890 19766 12263 1 19 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.714 -0.640 19766 12264 1 19 . 1 1 89 89 TYR C C 89 173.089 173.089 173.574 -0.485 19766 12265 1 19 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.601 1.928 19766 12266 1 19 . 1 1 89 89 TYR CB C 89 39.808 39.808 40.153 -0.345 19766 12267 1 19 . 1 1 89 89 TYR H H 89 8.242 8.242 7.490 0.752 19766 12268 1 19 . 1 1 90 90 ARG N N 90 128.867 128.867 122.584 6.283 19766 12269 1 19 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.181 0.248 19766 12270 1 19 . 1 1 90 90 ARG CA C 90 51.568 51.568 53.238 -1.670 19766 12271 1 19 . 1 1 90 90 ARG CB C 90 30.994 30.994 30.150 0.844 19766 12272 1 19 . 1 1 90 90 ARG H H 90 7.018 7.018 8.699 -1.681 19766 12273 1 19 . 1 1 91 91 PRO HA H 91 4.190 4.190 4.067 0.123 19766 12274 1 19 . 1 1 91 91 PRO C C 91 176.284 176.284 176.125 0.159 19766 12275 1 19 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.705 -0.216 19766 12276 1 19 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.976 1.071 19766 12277 1 19 . 1 1 92 92 LYS N N 92 119.987 119.987 124.858 -4.871 19766 12278 1 19 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.444 0.238 19766 12279 1 19 . 1 1 92 92 LYS CA C 92 54.687 54.687 55.991 -1.304 19766 12280 1 19 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.332 1.727 19766 12281 1 19 . 1 1 92 92 LYS H H 92 8.672 8.672 8.618 0.054 19766 12282 1 19 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.197 -0.023 19766 12283 1 19 . 1 1 93 93 ARG C C 93 178.848 178.848 177.674 1.174 19766 12284 1 19 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.670 0.522 19766 12285 1 19 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.559 0.237 19766 12286 1 19 . 1 1 94 94 SER N N 94 112.252 112.252 116.149 -3.897 19766 12287 1 19 . 1 1 94 94 SER HA H 94 4.266 4.266 4.332 -0.066 19766 12288 1 19 . 1 1 94 94 SER C C 94 175.827 175.827 175.090 0.737 19766 12289 1 19 . 1 1 94 94 SER CA C 94 60.087 60.087 60.547 -0.459 19766 12290 1 19 . 1 1 94 94 SER CB C 94 62.266 62.266 62.670 -0.404 19766 12291 1 19 . 1 1 94 94 SER H H 94 8.353 8.353 8.337 0.016 19766 12292 1 19 . 1 1 95 95 LEU N N 95 122.261 122.261 119.500 2.761 19766 12293 1 19 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.546 0.119 19766 12294 1 19 . 1 1 95 95 LEU C C 95 175.444 175.444 176.339 -0.895 19766 12295 1 19 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.326 0.778 19766 12296 1 19 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.564 0.348 19766 12297 1 19 . 1 1 95 95 LEU H H 95 7.229 7.229 7.215 0.014 19766 12298 1 19 . 1 1 96 96 GLN N N 96 118.873 118.873 120.063 -1.190 19766 12299 1 19 . 1 1 96 96 GLN HA H 96 4.093 4.093 3.815 0.278 19766 12300 1 19 . 1 1 96 96 GLN C C 96 177.668 177.668 177.338 0.330 19766 12301 1 19 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.115 1.595 19766 12302 1 19 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.416 0.565 19766 12303 1 19 . 1 1 96 96 GLN H H 96 7.390 7.390 7.483 -0.093 19766 12304 1 19 . 1 1 97 97 LYS N N 97 116.416 116.416 119.175 -2.759 19766 12305 1 19 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.170 -0.053 19766 12306 1 19 . 1 1 97 97 LYS C C 97 179.237 179.237 178.954 0.283 19766 12307 1 19 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.431 0.962 19766 12308 1 19 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.392 0.124 19766 12309 1 19 . 1 1 97 97 LYS H H 97 8.595 8.595 8.213 0.382 19766 12310 1 19 . 1 1 98 98 TYR N N 98 123.922 123.922 121.817 2.105 19766 12311 1 19 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.137 0.000 19766 12312 1 19 . 1 1 98 98 TYR C C 98 177.309 177.309 177.791 -0.482 19766 12313 1 19 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.663 0.566 19766 12314 1 19 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.241 -0.951 19766 12315 1 19 . 1 1 98 98 TYR H H 98 7.558 7.558 7.575 -0.017 19766 12316 1 19 . 1 1 99 99 TYR N N 99 118.047 118.047 117.951 0.096 19766 12317 1 19 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.932 1.176 19766 12318 1 19 . 1 1 99 99 TYR CA C 99 57.898 57.898 58.941 -1.043 19766 12319 1 19 . 1 1 99 99 TYR CB C 99 37.222 37.222 37.545 -0.323 19766 12320 1 19 . 1 1 99 99 TYR H H 99 8.624 8.624 7.667 0.957 19766 12321 1 19 . 1 1 100 100 GLU N N 100 118.804 118.804 118.661 0.143 19766 12322 1 19 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.949 0.117 19766 12323 1 19 . 1 1 100 100 GLU C C 100 178.595 178.595 178.552 0.043 19766 12324 1 19 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.331 0.154 19766 12325 1 19 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.153 0.642 19766 12326 1 19 . 1 1 100 100 GLU H H 100 8.348 8.348 8.812 -0.464 19766 12327 1 19 . 1 1 101 101 ALA N N 101 123.315 123.315 121.641 1.674 19766 12328 1 19 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.031 0.264 19766 12329 1 19 . 1 1 101 101 ALA C C 101 181.438 181.438 179.703 1.735 19766 12330 1 19 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.658 0.200 19766 12331 1 19 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.534 0.143 19766 12332 1 19 . 1 1 101 101 ALA H H 101 7.963 7.963 7.722 0.241 19766 12333 1 19 . 1 1 102 102 VAL N N 102 120.092 120.092 117.947 2.145 19766 12334 1 19 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.592 0.185 19766 12335 1 19 . 1 1 102 102 VAL C C 102 176.958 176.958 178.080 -1.122 19766 12336 1 19 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.892 1.513 19766 12337 1 19 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.731 0.105 19766 12338 1 19 . 1 1 102 102 VAL H H 102 8.321 8.321 7.543 0.778 19766 12339 1 19 . 1 1 103 103 LYS N N 103 120.226 120.226 118.970 1.256 19766 12340 1 19 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.032 -0.106 19766 12341 1 19 . 1 1 103 103 LYS C C 103 178.354 178.354 178.492 -0.138 19766 12342 1 19 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.249 0.434 19766 12343 1 19 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.652 0.524 19766 12344 1 19 . 1 1 103 103 LYS H H 103 8.266 8.266 7.794 0.472 19766 12345 1 19 . 1 1 104 104 GLU N N 104 116.521 116.521 119.649 -3.128 19766 12346 1 19 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.015 -0.054 19766 12347 1 19 . 1 1 104 104 GLU C C 104 178.628 178.628 178.276 0.352 19766 12348 1 19 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.196 -0.086 19766 12349 1 19 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.887 0.838 19766 12350 1 19 . 1 1 104 104 GLU H H 104 8.027 8.027 8.236 -0.209 19766 12351 1 19 . 1 1 105 105 GLU N N 105 118.569 118.569 117.386 1.183 19766 12352 1 19 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.297 -0.397 19766 12353 1 19 . 1 1 105 105 GLU C C 105 178.399 178.399 179.417 -1.018 19766 12354 1 19 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.398 0.867 19766 12355 1 19 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.776 -0.003 19766 12356 1 19 . 1 1 105 105 GLU H H 105 7.225 7.225 7.663 -0.438 19766 12357 1 19 . 1 1 106 106 LEU N N 106 116.938 116.938 121.630 -4.692 19766 12358 1 19 . 1 1 106 106 LEU HA H 106 4.033 4.033 3.958 0.075 19766 12359 1 19 . 1 1 106 106 LEU C C 106 179.770 179.770 178.945 0.825 19766 12360 1 19 . 1 1 106 106 LEU CA C 106 56.925 56.925 58.032 -1.107 19766 12361 1 19 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.441 -1.156 19766 12362 1 19 . 1 1 106 106 LEU H H 106 8.273 8.273 7.420 0.853 19766 12363 1 19 . 1 1 107 107 ASP N N 107 119.855 119.855 119.122 0.733 19766 12364 1 19 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.333 0.215 19766 12365 1 19 . 1 1 107 107 ASP C C 107 177.891 177.891 178.221 -0.330 19766 12366 1 19 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.449 -1.516 19766 12367 1 19 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.665 0.049 19766 12368 1 19 . 1 1 107 107 ASP H H 107 8.286 8.286 8.722 -0.436 19766 12369 1 19 . 1 1 108 108 ARG N N 108 118.853 118.853 118.353 0.500 19766 12370 1 19 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.172 -0.091 19766 12371 1 19 . 1 1 108 108 ARG C C 108 177.325 177.325 177.768 -0.443 19766 12372 1 19 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.716 0.293 19766 12373 1 19 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.924 0.480 19766 12374 1 19 . 1 1 108 108 ARG H H 108 7.406 7.406 7.524 -0.118 19766 12375 1 19 . 1 1 109 109 ASP N N 109 119.636 119.636 118.017 1.619 19766 12376 1 19 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.589 -0.054 19766 12377 1 19 . 1 1 109 109 ASP C C 109 176.758 176.758 177.361 -0.603 19766 12378 1 19 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.377 -0.139 19766 12379 1 19 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.755 -1.010 19766 12380 1 19 . 1 1 109 109 ASP H H 109 7.853 7.853 7.874 -0.021 19766 12381 1 19 . 1 1 110 110 ILE N N 110 119.905 119.905 118.706 1.199 19766 12382 1 19 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.960 0.144 19766 12383 1 19 . 1 1 110 110 ILE C C 110 176.642 176.642 176.764 -0.122 19766 12384 1 19 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.651 -1.875 19766 12385 1 19 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.714 -0.260 19766 12386 1 19 . 1 1 110 110 ILE H H 110 7.623 7.623 7.433 0.190 19766 12387 1 19 . 1 1 111 111 VAL N N 111 122.938 122.938 119.621 3.317 19766 12388 1 19 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.786 0.292 19766 12389 1 19 . 1 1 111 111 VAL C C 111 176.668 176.668 175.871 0.797 19766 12390 1 19 . 1 1 111 111 VAL CA C 111 63.037 63.037 63.693 -0.656 19766 12391 1 19 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.703 -0.221 19766 12392 1 19 . 1 1 111 111 VAL H H 111 8.043 8.043 7.980 0.063 19766 12393 1 19 . 1 1 112 112 SER N N 112 118.345 118.345 122.972 -4.627 19766 12394 1 19 . 1 1 112 112 SER HA H 112 4.417 4.417 4.488 -0.071 19766 12395 1 19 . 1 1 112 112 SER C C 112 174.925 174.925 173.782 1.143 19766 12396 1 19 . 1 1 112 112 SER CA C 112 58.848 58.848 58.811 0.037 19766 12397 1 19 . 1 1 112 112 SER CB C 112 63.551 63.551 63.551 0.000 19766 12398 1 19 . 1 1 112 112 SER H H 112 8.210 8.210 8.953 -0.743 19766 12399 1 19 . 1 1 113 113 LYS N N 113 122.729 122.729 115.962 6.767 19766 12400 1 19 . 1 1 113 113 LYS HA H 113 4.318 4.318 3.926 0.392 19766 12401 1 19 . 1 1 113 113 LYS CA C 113 56.596 56.596 57.704 -1.108 19766 12402 1 19 . 1 1 113 113 LYS CB C 113 32.846 32.846 29.345 3.501 19766 12403 1 19 . 1 1 113 113 LYS H H 113 8.295 8.295 8.076 0.219 19766 12404 1 19 . 1 1 114 114 ASN N N 114 119.243 119.243 118.012 1.231 19766 12405 1 19 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.628 0.050 19766 12406 1 19 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.904 -0.421 19766 12407 1 19 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.440 -0.582 19766 12408 1 19 . 1 1 114 114 ASN H H 114 8.372 8.372 8.523 -0.151 19766 12409 1 19 . 1 1 115 115 ASN N N 115 119.155 119.155 117.757 1.398 19766 12410 1 19 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.827 -0.145 19766 12411 1 19 . 1 1 115 115 ASN C C 115 174.877 174.877 173.938 0.939 19766 12412 1 19 . 1 1 115 115 ASN CA C 115 53.483 53.483 52.372 1.111 19766 12413 1 19 . 1 1 115 115 ASN CB C 115 38.858 38.858 40.462 -1.603 19766 12414 1 19 . 1 1 115 115 ASN H H 115 8.372 8.372 8.123 0.249 19766 12415 1 19 . 1 1 116 116 ALA N N 116 123.743 123.743 122.391 1.352 19766 12416 1 19 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.523 -0.194 19766 12417 1 19 . 1 1 116 116 ALA C C 116 177.574 177.574 177.387 0.187 19766 12418 1 19 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.031 0.662 19766 12419 1 19 . 1 1 116 116 ALA CB C 116 19.347 19.347 18.072 1.275 19766 12420 1 19 . 1 1 116 116 ALA H H 116 8.116 8.116 8.584 -0.468 19766 12421 1 19 . 1 1 117 117 GLU N N 117 120.161 120.161 121.225 -1.064 19766 12422 1 19 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.306 -0.033 19766 12423 1 19 . 1 1 117 117 GLU C C 117 175.557 175.557 176.207 -0.650 19766 12424 1 19 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.165 0.494 19766 12425 1 19 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.407 -0.253 19766 12426 1 19 . 1 1 117 117 GLU H H 117 8.220 8.220 8.729 -0.509 19766 12427 1 20 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.657 -0.317 19766 12428 1 20 . 1 1 2 2 ALA C C 2 177.830 177.830 176.866 0.964 19766 12429 1 20 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.462 0.231 19766 12430 1 20 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.711 -0.352 19766 12431 1 20 . 1 1 3 3 MET N N 3 119.580 119.580 121.931 -2.351 19766 12432 1 20 . 1 1 3 3 MET HA H 3 4.482 4.482 4.563 -0.081 19766 12433 1 20 . 1 1 3 3 MET C C 3 176.714 176.714 177.666 -0.952 19766 12434 1 20 . 1 1 3 3 MET CA C 3 55.590 55.590 54.695 0.895 19766 12435 1 20 . 1 1 3 3 MET CB C 3 32.922 32.922 31.974 0.948 19766 12436 1 20 . 1 1 3 3 MET H H 3 8.451 8.451 8.201 0.250 19766 12437 1 20 . 1 1 4 4 GLY N N 4 109.951 109.951 112.087 -2.136 19766 12438 1 20 . 1 1 4 4 GLY C C 4 174.082 174.082 174.828 -0.746 19766 12439 1 20 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.405 0.061 19766 12440 1 20 . 1 1 4 4 GLY H H 4 8.400 8.400 8.882 -0.482 19766 12441 1 20 . 1 1 5 5 ASN N N 5 118.667 118.667 117.481 1.186 19766 12442 1 20 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.592 0.092 19766 12443 1 20 . 1 1 5 5 ASN C C 5 175.489 175.489 175.633 -0.144 19766 12444 1 20 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.193 -0.692 19766 12445 1 20 . 1 1 5 5 ASN CB C 5 38.966 38.966 37.181 1.785 19766 12446 1 20 . 1 1 5 5 ASN H H 5 8.378 8.378 8.047 0.331 19766 12447 1 20 . 1 1 6 6 GLU N N 6 120.908 120.908 120.131 0.777 19766 12448 1 20 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.125 0.041 19766 12449 1 20 . 1 1 6 6 GLU C C 6 176.336 176.336 176.878 -0.542 19766 12450 1 20 . 1 1 6 6 GLU CA C 6 57.269 57.269 56.746 0.523 19766 12451 1 20 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.614 0.122 19766 12452 1 20 . 1 1 6 6 GLU H H 6 8.620 8.620 7.731 0.889 19766 12453 1 20 . 1 1 7 7 TYR N N 7 120.339 120.339 115.983 4.356 19766 12454 1 20 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.113 0.387 19766 12455 1 20 . 1 1 7 7 TYR C C 7 175.808 175.808 175.003 0.805 19766 12456 1 20 . 1 1 7 7 TYR CA C 7 58.151 58.151 59.673 -1.522 19766 12457 1 20 . 1 1 7 7 TYR CB C 7 38.194 38.194 36.610 1.584 19766 12458 1 20 . 1 1 7 7 TYR H H 7 8.045 8.045 7.985 0.060 19766 12459 1 20 . 1 1 8 8 LYS N N 8 121.700 121.700 117.202 4.498 19766 12460 1 20 . 1 1 8 8 LYS HA H 8 4.150 4.150 3.946 0.204 19766 12461 1 20 . 1 1 8 8 LYS C C 8 175.868 175.868 176.626 -0.758 19766 12462 1 20 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.356 0.206 19766 12463 1 20 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.691 0.467 19766 12464 1 20 . 1 1 8 8 LYS H H 8 7.829 7.829 7.737 0.092 19766 12465 1 20 . 1 1 9 9 ASP N N 9 119.811 119.811 118.821 0.990 19766 12466 1 20 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.426 0.212 19766 12467 1 20 . 1 1 9 9 ASP C C 9 175.972 175.972 175.511 0.461 19766 12468 1 20 . 1 1 9 9 ASP CA C 9 54.624 54.624 55.514 -0.890 19766 12469 1 20 . 1 1 9 9 ASP CB C 9 41.539 41.539 41.055 0.484 19766 12470 1 20 . 1 1 9 9 ASP H H 9 8.137 8.137 8.197 -0.060 19766 12471 1 20 . 1 1 10 10 ASN N N 10 119.794 119.794 116.139 3.655 19766 12472 1 20 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.728 0.244 19766 12473 1 20 . 1 1 10 10 ASN CA C 10 52.845 52.845 53.270 -0.425 19766 12474 1 20 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.692 0.067 19766 12475 1 20 . 1 1 10 10 ASN H H 10 8.292 8.292 7.698 0.594 19766 12476 1 20 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.365 0.238 19766 12477 1 20 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.344 0.905 19766 12478 1 20 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.159 0.029 19766 12479 1 20 . 1 1 12 12 TYR N N 12 118.889 118.889 119.151 -0.262 19766 12480 1 20 . 1 1 12 12 TYR HA H 12 5.144 5.144 4.746 0.398 19766 12481 1 20 . 1 1 12 12 TYR C C 12 177.773 177.773 175.267 2.506 19766 12482 1 20 . 1 1 12 12 TYR CA C 12 57.183 57.183 59.071 -1.888 19766 12483 1 20 . 1 1 12 12 TYR CB C 12 42.582 42.582 38.972 3.610 19766 12484 1 20 . 1 1 12 12 TYR H H 12 8.057 8.057 7.958 0.099 19766 12485 1 20 . 1 1 13 13 ILE N N 13 112.765 112.765 120.331 -7.566 19766 12486 1 20 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.019 0.135 19766 12487 1 20 . 1 1 13 13 ILE C C 13 174.312 174.312 174.429 -0.117 19766 12488 1 20 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.065 0.971 19766 12489 1 20 . 1 1 13 13 ILE CB C 13 39.896 39.896 41.033 -1.137 19766 12490 1 20 . 1 1 13 13 ILE H H 13 9.310 9.310 9.259 0.051 19766 12491 1 20 . 1 1 14 14 TYR N N 14 124.417 124.417 127.843 -3.426 19766 12492 1 20 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.855 -0.148 19766 12493 1 20 . 1 1 14 14 TYR C C 14 173.058 173.058 174.008 -0.950 19766 12494 1 20 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.495 -1.283 19766 12495 1 20 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.870 0.349 19766 12496 1 20 . 1 1 14 14 TYR H H 14 9.252 9.252 8.995 0.257 19766 12497 1 20 . 1 1 15 15 ILE N N 15 127.660 127.660 127.242 0.418 19766 12498 1 20 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.012 -0.747 19766 12499 1 20 . 1 1 15 15 ILE C C 15 173.705 173.705 174.418 -0.713 19766 12500 1 20 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.446 0.040 19766 12501 1 20 . 1 1 15 15 ILE CB C 15 40.002 40.002 40.072 -0.070 19766 12502 1 20 . 1 1 15 15 ILE H H 15 8.558 8.558 8.535 0.023 19766 12503 1 20 . 1 1 16 16 GLY N N 16 112.792 112.792 111.808 0.984 19766 12504 1 20 . 1 1 16 16 GLY C C 16 173.110 173.110 172.708 0.402 19766 12505 1 20 . 1 1 16 16 GLY CA C 16 43.249 43.249 43.558 -0.309 19766 12506 1 20 . 1 1 16 16 GLY H H 16 9.516 9.516 8.799 0.717 19766 12507 1 20 . 1 1 17 17 ASN N N 17 115.139 115.139 115.825 -0.686 19766 12508 1 20 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.239 0.157 19766 12509 1 20 . 1 1 17 17 ASN C C 17 174.854 174.854 174.390 0.464 19766 12510 1 20 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.990 -0.754 19766 12511 1 20 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.230 -0.297 19766 12512 1 20 . 1 1 17 17 ASN H H 17 8.511 8.511 8.381 0.130 19766 12513 1 20 . 1 1 18 18 LEU N N 18 114.660 114.660 118.747 -4.087 19766 12514 1 20 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.308 -0.272 19766 12515 1 20 . 1 1 18 18 LEU C C 18 178.161 178.161 176.788 1.373 19766 12516 1 20 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.702 -0.818 19766 12517 1 20 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.370 -0.808 19766 12518 1 20 . 1 1 18 18 LEU H H 18 7.839 7.839 7.662 0.177 19766 12519 1 20 . 1 1 19 19 ASN N N 19 122.707 122.707 118.489 4.218 19766 12520 1 20 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.556 -0.193 19766 12521 1 20 . 1 1 19 19 ASN C C 19 178.037 178.037 176.520 1.517 19766 12522 1 20 . 1 1 19 19 ASN CA C 19 54.604 54.604 54.480 0.124 19766 12523 1 20 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.274 -0.462 19766 12524 1 20 . 1 1 19 19 ASN H H 19 8.779 8.779 8.692 0.087 19766 12525 1 20 . 1 1 20 20 ARG N N 20 128.724 128.724 119.936 8.788 19766 12526 1 20 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.024 -0.171 19766 12527 1 20 . 1 1 20 20 ARG C C 20 175.612 175.612 176.904 -1.292 19766 12528 1 20 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.334 0.440 19766 12529 1 20 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.099 -0.415 19766 12530 1 20 . 1 1 20 20 ARG H H 20 8.954 8.954 8.758 0.196 19766 12531 1 20 . 1 1 21 21 GLU N N 21 117.609 117.609 114.988 2.621 19766 12532 1 20 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.227 0.046 19766 12533 1 20 . 1 1 21 21 GLU C C 21 177.285 177.285 175.929 1.356 19766 12534 1 20 . 1 1 21 21 GLU CA C 21 56.782 56.782 55.837 0.945 19766 12535 1 20 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.788 1.710 19766 12536 1 20 . 1 1 21 21 GLU H H 21 9.092 9.092 8.288 0.804 19766 12537 1 20 . 1 1 22 22 LEU N N 22 116.169 116.169 122.316 -6.147 19766 12538 1 20 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.583 -0.027 19766 12539 1 20 . 1 1 22 22 LEU C C 22 178.328 178.328 176.700 1.628 19766 12540 1 20 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.497 1.159 19766 12541 1 20 . 1 1 22 22 LEU CB C 22 42.226 42.226 42.008 0.219 19766 12542 1 20 . 1 1 22 22 LEU H H 22 7.208 7.208 7.126 0.082 19766 12543 1 20 . 1 1 23 23 THR N N 23 113.733 113.733 117.225 -3.492 19766 12544 1 20 . 1 1 23 23 THR HA H 23 4.349 4.349 4.791 -0.442 19766 12545 1 20 . 1 1 23 23 THR C C 23 175.225 175.225 175.207 0.018 19766 12546 1 20 . 1 1 23 23 THR CA C 23 59.960 59.960 59.035 0.925 19766 12547 1 20 . 1 1 23 23 THR CB C 23 72.172 72.172 71.659 0.513 19766 12548 1 20 . 1 1 23 23 THR H H 23 8.732 8.732 9.228 -0.496 19766 12549 1 20 . 1 1 24 24 GLU N N 24 119.838 119.838 122.262 -2.424 19766 12550 1 20 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.024 -0.367 19766 12551 1 20 . 1 1 24 24 GLU C C 24 178.983 178.983 178.950 0.033 19766 12552 1 20 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.688 2.882 19766 12553 1 20 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.458 -2.112 19766 12554 1 20 . 1 1 24 24 GLU H H 24 9.761 9.761 9.045 0.716 19766 12555 1 20 . 1 1 25 25 GLY N N 25 104.462 104.462 106.440 -1.978 19766 12556 1 20 . 1 1 25 25 GLY C C 25 175.139 175.139 175.737 -0.598 19766 12557 1 20 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.946 0.659 19766 12558 1 20 . 1 1 25 25 GLY H H 25 8.486 8.486 8.502 -0.016 19766 12559 1 20 . 1 1 26 26 ASP N N 26 123.296 123.296 123.381 -0.085 19766 12560 1 20 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.477 0.093 19766 12561 1 20 . 1 1 26 26 ASP C C 26 178.135 178.135 178.689 -0.554 19766 12562 1 20 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.513 0.299 19766 12563 1 20 . 1 1 26 26 ASP CB C 26 41.885 41.885 40.800 1.085 19766 12564 1 20 . 1 1 26 26 ASP H H 26 7.960 7.960 7.628 0.332 19766 12565 1 20 . 1 1 27 27 ILE N N 27 118.853 118.853 120.742 -1.889 19766 12566 1 20 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.822 -0.215 19766 12567 1 20 . 1 1 27 27 ILE C C 27 178.424 178.424 178.232 0.192 19766 12568 1 20 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.329 0.412 19766 12569 1 20 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.919 -0.207 19766 12570 1 20 . 1 1 27 27 ILE H H 27 8.159 8.159 7.683 0.476 19766 12571 1 20 . 1 1 28 28 LEU N N 28 118.549 118.549 120.151 -1.602 19766 12572 1 20 . 1 1 28 28 LEU HA H 28 3.904 3.904 4.031 -0.127 19766 12573 1 20 . 1 1 28 28 LEU C C 28 180.057 180.057 179.757 0.300 19766 12574 1 20 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.436 0.095 19766 12575 1 20 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.442 0.503 19766 12576 1 20 . 1 1 28 28 LEU H H 28 8.414 8.414 8.586 -0.172 19766 12577 1 20 . 1 1 29 29 THR N N 29 122.156 122.156 115.340 6.816 19766 12578 1 20 . 1 1 29 29 THR HA H 29 4.032 4.032 3.960 0.072 19766 12579 1 20 . 1 1 29 29 THR C C 29 175.113 175.113 176.104 -0.991 19766 12580 1 20 . 1 1 29 29 THR CA C 29 66.754 66.754 66.340 0.414 19766 12581 1 20 . 1 1 29 29 THR CB C 29 68.490 68.490 69.031 -0.541 19766 12582 1 20 . 1 1 29 29 THR H H 29 8.715 8.715 8.095 0.620 19766 12583 1 20 . 1 1 30 30 VAL N N 30 116.487 116.487 117.189 -0.702 19766 12584 1 20 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.920 -0.089 19766 12585 1 20 . 1 1 30 30 VAL C C 30 179.968 179.968 177.149 2.819 19766 12586 1 20 . 1 1 30 30 VAL CA C 30 65.515 65.515 64.817 0.698 19766 12587 1 20 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.617 1.427 19766 12588 1 20 . 1 1 30 30 VAL H H 30 7.713 7.713 7.990 -0.277 19766 12589 1 20 . 1 1 31 31 PHE N N 31 113.658 113.658 120.050 -6.392 19766 12590 1 20 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.517 -0.650 19766 12591 1 20 . 1 1 31 31 PHE C C 31 179.577 179.577 177.647 1.930 19766 12592 1 20 . 1 1 31 31 PHE CA C 31 62.403 62.403 61.316 1.087 19766 12593 1 20 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.511 -1.198 19766 12594 1 20 . 1 1 31 31 PHE H H 31 8.876 8.876 8.785 0.091 19766 12595 1 20 . 1 1 32 32 SER N N 32 118.635 118.635 115.925 2.710 19766 12596 1 20 . 1 1 32 32 SER HA H 32 5.381 5.381 4.581 0.800 19766 12597 1 20 . 1 1 32 32 SER C C 32 172.662 172.662 176.312 -3.650 19766 12598 1 20 . 1 1 32 32 SER CA C 32 61.338 61.338 60.831 0.507 19766 12599 1 20 . 1 1 32 32 SER CB C 32 63.875 63.875 62.783 1.092 19766 12600 1 20 . 1 1 32 32 SER H H 32 8.106 8.106 8.269 -0.163 19766 12601 1 20 . 1 1 33 33 GLU N N 33 121.234 121.234 122.441 -1.207 19766 12602 1 20 . 1 1 33 33 GLU HA H 33 2.157 2.157 3.916 -1.759 19766 12603 1 20 . 1 1 33 33 GLU C C 33 174.223 174.223 176.714 -2.491 19766 12604 1 20 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.084 1.556 19766 12605 1 20 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.216 -1.385 19766 12606 1 20 . 1 1 33 33 GLU H H 33 6.964 6.964 7.577 -0.613 19766 12607 1 20 . 1 1 34 34 TYR N N 34 107.930 107.930 117.815 -9.885 19766 12608 1 20 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.561 -0.408 19766 12609 1 20 . 1 1 34 34 TYR C C 34 173.208 173.208 174.594 -1.386 19766 12610 1 20 . 1 1 34 34 TYR CA C 34 57.329 57.329 56.970 0.359 19766 12611 1 20 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.704 0.174 19766 12612 1 20 . 1 1 34 34 TYR H H 34 6.229 6.229 7.703 -1.474 19766 12613 1 20 . 1 1 35 35 GLY N N 35 103.542 103.542 106.060 -2.518 19766 12614 1 20 . 1 1 35 35 GLY C C 35 170.379 170.379 171.743 -1.364 19766 12615 1 20 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.438 0.242 19766 12616 1 20 . 1 1 35 35 GLY H H 35 7.257 7.257 7.328 -0.071 19766 12617 1 20 . 1 1 36 36 VAL N N 36 120.446 120.446 121.941 -1.495 19766 12618 1 20 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.303 0.201 19766 12619 1 20 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.352 0.363 19766 12620 1 20 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.043 0.988 19766 12621 1 20 . 1 1 36 36 VAL H H 36 8.438 8.438 8.485 -0.047 19766 12622 1 20 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.434 0.269 19766 12623 1 20 . 1 1 37 37 PRO CA C 37 62.374 62.374 63.429 -1.055 19766 12624 1 20 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.666 0.405 19766 12625 1 20 . 1 1 38 38 VAL N N 38 113.929 113.929 117.544 -3.615 19766 12626 1 20 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.216 0.266 19766 12627 1 20 . 1 1 38 38 VAL CA C 38 60.454 60.454 61.795 -1.341 19766 12628 1 20 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.866 -0.362 19766 12629 1 20 . 1 1 38 38 VAL H H 38 8.966 8.966 8.555 0.411 19766 12630 1 20 . 1 1 39 39 ASP N N 39 118.213 118.213 118.872 -0.659 19766 12631 1 20 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.954 -0.279 19766 12632 1 20 . 1 1 39 39 ASP C C 39 174.637 174.637 173.699 0.938 19766 12633 1 20 . 1 1 39 39 ASP CA C 39 54.688 54.688 54.456 0.232 19766 12634 1 20 . 1 1 39 39 ASP CB C 39 43.807 43.807 43.812 -0.005 19766 12635 1 20 . 1 1 39 39 ASP H H 39 7.500 7.500 7.759 -0.259 19766 12636 1 20 . 1 1 40 40 VAL N N 40 121.576 121.576 123.951 -2.375 19766 12637 1 20 . 1 1 40 40 VAL HA H 40 4.991 4.991 5.088 -0.097 19766 12638 1 20 . 1 1 40 40 VAL C C 40 170.562 170.562 173.720 -3.158 19766 12639 1 20 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.607 0.751 19766 12640 1 20 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.905 -0.686 19766 12641 1 20 . 1 1 40 40 VAL H H 40 7.657 7.657 8.519 -0.862 19766 12642 1 20 . 1 1 41 41 ILE N N 41 125.384 125.384 122.700 2.684 19766 12643 1 20 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.730 0.088 19766 12644 1 20 . 1 1 41 41 ILE C C 41 175.425 175.425 173.277 2.148 19766 12645 1 20 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.002 2.488 19766 12646 1 20 . 1 1 41 41 ILE CB C 41 42.556 42.556 41.303 1.254 19766 12647 1 20 . 1 1 41 41 ILE H H 41 8.901 8.901 9.120 -0.219 19766 12648 1 20 . 1 1 42 42 LEU N N 42 128.888 128.888 126.748 2.140 19766 12649 1 20 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.678 -0.217 19766 12650 1 20 . 1 1 42 42 LEU C C 42 174.934 174.934 175.716 -0.782 19766 12651 1 20 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.331 0.046 19766 12652 1 20 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.680 -0.141 19766 12653 1 20 . 1 1 42 42 LEU H H 42 8.344 8.344 8.720 -0.376 19766 12654 1 20 . 1 1 43 43 SER N N 43 122.818 122.818 121.767 1.051 19766 12655 1 20 . 1 1 43 43 SER HA H 43 3.876 3.876 4.520 -0.644 19766 12656 1 20 . 1 1 43 43 SER C C 43 173.869 173.869 173.160 0.709 19766 12657 1 20 . 1 1 43 43 SER CA C 43 59.688 59.688 57.957 1.731 19766 12658 1 20 . 1 1 43 43 SER CB C 43 62.673 62.673 62.861 -0.188 19766 12659 1 20 . 1 1 43 43 SER H H 43 8.362 8.362 8.850 -0.488 19766 12660 1 20 . 1 1 44 44 ARG N N 44 128.045 128.045 125.406 2.639 19766 12661 1 20 . 1 1 44 44 ARG HA H 44 4.829 4.829 4.904 -0.075 19766 12662 1 20 . 1 1 44 44 ARG C C 44 175.031 175.031 175.079 -0.048 19766 12663 1 20 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.661 0.401 19766 12664 1 20 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.164 1.134 19766 12665 1 20 . 1 1 44 44 ARG H H 44 8.079 8.079 7.645 0.434 19766 12666 1 20 . 1 1 45 45 ASP N N 45 123.491 123.491 121.252 2.239 19766 12667 1 20 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.475 -0.238 19766 12668 1 20 . 1 1 45 45 ASP C C 45 177.487 177.487 177.002 0.485 19766 12669 1 20 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.349 0.568 19766 12670 1 20 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.845 0.766 19766 12671 1 20 . 1 1 45 45 ASP H H 45 8.663 8.663 8.610 0.053 19766 12672 1 20 . 1 1 46 46 GLU N N 46 125.446 125.446 124.472 0.974 19766 12673 1 20 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.144 -0.237 19766 12674 1 20 . 1 1 46 46 GLU C C 46 175.655 175.655 176.442 -0.787 19766 12675 1 20 . 1 1 46 46 GLU CA C 46 58.873 58.873 57.656 1.217 19766 12676 1 20 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.891 -0.237 19766 12677 1 20 . 1 1 46 46 GLU H H 46 9.007 9.007 8.744 0.263 19766 12678 1 20 . 1 1 47 47 ASN N N 47 115.343 115.343 117.322 -1.979 19766 12679 1 20 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.787 0.097 19766 12680 1 20 . 1 1 47 47 ASN C C 47 176.665 176.665 176.961 -0.296 19766 12681 1 20 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.881 0.058 19766 12682 1 20 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.829 0.401 19766 12683 1 20 . 1 1 47 47 ASN H H 47 8.947 8.947 8.697 0.250 19766 12684 1 20 . 1 1 48 48 THR N N 48 107.604 107.604 113.143 -5.539 19766 12685 1 20 . 1 1 48 48 THR HA H 48 4.468 4.468 4.459 0.009 19766 12686 1 20 . 1 1 48 48 THR C C 48 176.465 176.465 175.973 0.492 19766 12687 1 20 . 1 1 48 48 THR CA C 48 61.555 61.555 62.645 -1.090 19766 12688 1 20 . 1 1 48 48 THR CB C 48 71.342 71.342 69.995 1.347 19766 12689 1 20 . 1 1 48 48 THR H H 48 8.450 8.450 8.562 -0.112 19766 12690 1 20 . 1 1 49 49 GLY N N 49 111.809 111.809 109.642 2.167 19766 12691 1 20 . 1 1 49 49 GLY C C 49 173.193 173.193 173.332 -0.139 19766 12692 1 20 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.586 0.137 19766 12693 1 20 . 1 1 49 49 GLY H H 49 8.632 8.632 7.862 0.770 19766 12694 1 20 . 1 1 50 50 GLU N N 50 120.089 120.089 119.201 0.888 19766 12695 1 20 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.260 -0.127 19766 12696 1 20 . 1 1 50 50 GLU C C 50 176.586 176.586 176.670 -0.084 19766 12697 1 20 . 1 1 50 50 GLU CA C 50 56.532 56.532 55.496 1.036 19766 12698 1 20 . 1 1 50 50 GLU CB C 50 31.084 31.084 29.558 1.526 19766 12699 1 20 . 1 1 50 50 GLU H H 50 7.825 7.825 8.195 -0.370 19766 12700 1 20 . 1 1 51 51 SER N N 51 115.686 115.686 120.408 -4.722 19766 12701 1 20 . 1 1 51 51 SER HA H 51 4.273 4.273 4.316 -0.043 19766 12702 1 20 . 1 1 51 51 SER C C 51 176.516 176.516 174.809 1.707 19766 12703 1 20 . 1 1 51 51 SER CA C 51 58.415 58.415 59.516 -1.101 19766 12704 1 20 . 1 1 51 51 SER CB C 51 64.668 64.668 63.626 1.042 19766 12705 1 20 . 1 1 51 51 SER H H 51 8.871 8.871 8.599 0.272 19766 12706 1 20 . 1 1 52 52 GLN N N 52 123.284 123.284 121.269 2.015 19766 12707 1 20 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.395 0.096 19766 12708 1 20 . 1 1 52 52 GLN C C 52 177.471 177.471 176.440 1.031 19766 12709 1 20 . 1 1 52 52 GLN CA C 52 55.147 55.147 54.787 0.360 19766 12710 1 20 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.508 0.372 19766 12711 1 20 . 1 1 52 52 GLN H H 52 9.103 9.103 8.792 0.311 19766 12712 1 20 . 1 1 53 53 GLY N N 53 105.865 105.865 107.145 -1.280 19766 12713 1 20 . 1 1 53 53 GLY C C 53 172.010 172.010 172.785 -0.775 19766 12714 1 20 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.125 1.520 19766 12715 1 20 . 1 1 53 53 GLY H H 53 8.888 8.888 8.263 0.625 19766 12716 1 20 . 1 1 54 54 PHE N N 54 112.097 112.097 118.324 -6.227 19766 12717 1 20 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.300 0.046 19766 12718 1 20 . 1 1 54 54 PHE C C 54 171.548 171.548 173.368 -1.820 19766 12719 1 20 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.574 0.097 19766 12720 1 20 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.452 -1.772 19766 12721 1 20 . 1 1 54 54 PHE H H 54 6.879 6.879 7.167 -0.288 19766 12722 1 20 . 1 1 55 55 ALA N N 55 122.332 122.332 121.908 0.424 19766 12723 1 20 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.820 0.303 19766 12724 1 20 . 1 1 55 55 ALA C C 55 173.074 173.074 174.403 -1.329 19766 12725 1 20 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.957 -1.428 19766 12726 1 20 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.682 3.057 19766 12727 1 20 . 1 1 55 55 ALA H H 55 9.051 9.051 8.840 0.211 19766 12728 1 20 . 1 1 56 56 TYR N N 56 115.022 115.022 116.021 -0.999 19766 12729 1 20 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.765 -0.091 19766 12730 1 20 . 1 1 56 56 TYR C C 56 175.292 175.292 174.167 1.125 19766 12731 1 20 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.778 -1.197 19766 12732 1 20 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.972 -0.625 19766 12733 1 20 . 1 1 56 56 TYR H H 56 9.007 9.007 8.965 0.042 19766 12734 1 20 . 1 1 57 57 LEU N N 57 122.695 122.695 121.718 0.977 19766 12735 1 20 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.443 -0.684 19766 12736 1 20 . 1 1 57 57 LEU C C 57 172.173 172.173 173.991 -1.818 19766 12737 1 20 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.732 1.084 19766 12738 1 20 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.510 0.396 19766 12739 1 20 . 1 1 57 57 LEU H H 57 8.648 8.648 9.029 -0.381 19766 12740 1 20 . 1 1 58 58 LYS N N 58 125.954 125.954 119.081 6.873 19766 12741 1 20 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.861 -0.396 19766 12742 1 20 . 1 1 58 58 LYS C C 58 174.900 174.900 174.083 0.817 19766 12743 1 20 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.861 -0.238 19766 12744 1 20 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.819 0.727 19766 12745 1 20 . 1 1 58 58 LYS H H 58 7.948 7.948 9.045 -1.097 19766 12746 1 20 . 1 1 59 59 TYR N N 59 126.396 126.396 124.565 1.831 19766 12747 1 20 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.720 0.380 19766 12748 1 20 . 1 1 59 59 TYR CA C 59 57.974 57.974 55.813 2.161 19766 12749 1 20 . 1 1 59 59 TYR CB C 59 42.498 42.498 41.649 0.849 19766 12750 1 20 . 1 1 59 59 TYR H H 59 9.007 9.007 8.224 0.783 19766 12751 1 20 . 1 1 60 60 GLU N N 60 120.848 120.848 127.767 -6.919 19766 12752 1 20 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.120 -0.247 19766 12753 1 20 . 1 1 60 60 GLU C C 60 175.081 175.081 174.775 0.306 19766 12754 1 20 . 1 1 60 60 GLU CA C 60 59.053 59.053 55.943 3.110 19766 12755 1 20 . 1 1 60 60 GLU CB C 60 30.867 30.867 28.884 1.983 19766 12756 1 20 . 1 1 60 60 GLU H H 60 8.973 8.973 8.519 0.454 19766 12757 1 20 . 1 1 61 61 ASP N N 61 117.604 117.604 122.331 -4.727 19766 12758 1 20 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.477 0.389 19766 12759 1 20 . 1 1 61 61 ASP C C 61 176.598 176.598 174.931 1.667 19766 12760 1 20 . 1 1 61 61 ASP CA C 61 51.112 51.112 54.450 -3.337 19766 12761 1 20 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.142 1.282 19766 12762 1 20 . 1 1 61 61 ASP H H 61 8.017 8.017 7.959 0.058 19766 12763 1 20 . 1 1 62 62 GLN N N 62 126.427 126.427 124.864 1.563 19766 12764 1 20 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.164 0.106 19766 12765 1 20 . 1 1 62 62 GLN C C 62 178.514 178.514 177.450 1.064 19766 12766 1 20 . 1 1 62 62 GLN CA C 62 58.505 58.505 59.225 -0.720 19766 12767 1 20 . 1 1 62 62 GLN CB C 62 27.973 27.973 29.024 -1.051 19766 12768 1 20 . 1 1 62 62 GLN H H 62 9.007 9.007 8.879 0.128 19766 12769 1 20 . 1 1 63 63 ARG N N 63 121.369 121.369 119.191 2.178 19766 12770 1 20 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.275 -0.555 19766 12771 1 20 . 1 1 63 63 ARG C C 63 178.566 178.566 178.584 -0.018 19766 12772 1 20 . 1 1 63 63 ARG CA C 63 59.082 59.082 58.320 0.762 19766 12773 1 20 . 1 1 63 63 ARG H H 63 9.013 9.013 8.367 0.646 19766 12774 1 20 . 1 1 64 64 SER N N 64 115.216 115.216 115.610 -0.394 19766 12775 1 20 . 1 1 64 64 SER HA H 64 3.746 3.746 4.446 -0.700 19766 12776 1 20 . 1 1 64 64 SER C C 64 175.695 175.695 176.268 -0.573 19766 12777 1 20 . 1 1 64 64 SER CA C 64 63.651 63.651 61.213 2.438 19766 12778 1 20 . 1 1 64 64 SER H H 64 8.207 8.207 9.235 -1.028 19766 12779 1 20 . 1 1 65 65 THR N N 65 111.402 111.402 120.104 -8.702 19766 12780 1 20 . 1 1 65 65 THR HA H 65 3.785 3.785 4.115 -0.330 19766 12781 1 20 . 1 1 65 65 THR C C 65 175.556 175.556 176.484 -0.928 19766 12782 1 20 . 1 1 65 65 THR CA C 65 66.178 66.178 67.202 -1.024 19766 12783 1 20 . 1 1 65 65 THR CB C 65 68.414 68.414 68.802 -0.388 19766 12784 1 20 . 1 1 65 65 THR H H 65 7.640 7.640 7.781 -0.141 19766 12785 1 20 . 1 1 66 66 ILE N N 66 122.905 122.905 122.043 0.862 19766 12786 1 20 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.862 -0.160 19766 12787 1 20 . 1 1 66 66 ILE C C 66 177.292 177.292 177.690 -0.398 19766 12788 1 20 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.522 -1.268 19766 12789 1 20 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.780 0.619 19766 12790 1 20 . 1 1 66 66 ILE H H 66 6.702 6.702 7.731 -1.029 19766 12791 1 20 . 1 1 67 67 LEU N N 67 114.425 114.425 120.357 -5.932 19766 12792 1 20 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.772 -0.042 19766 12793 1 20 . 1 1 67 67 LEU C C 67 179.641 179.641 178.559 1.082 19766 12794 1 20 . 1 1 67 67 LEU CA C 67 57.587 57.587 58.022 -0.435 19766 12795 1 20 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.117 0.565 19766 12796 1 20 . 1 1 67 67 LEU H H 67 6.975 6.975 7.639 -0.664 19766 12797 1 20 . 1 1 68 68 ALA N N 68 120.639 120.639 120.892 -0.253 19766 12798 1 20 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.287 0.148 19766 12799 1 20 . 1 1 68 68 ALA C C 68 179.087 179.087 179.550 -0.463 19766 12800 1 20 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.733 1.003 19766 12801 1 20 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.264 0.749 19766 12802 1 20 . 1 1 68 68 ALA H H 68 8.225 8.225 7.762 0.463 19766 12803 1 20 . 1 1 69 69 VAL N N 69 118.866 118.866 118.053 0.813 19766 12804 1 20 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.581 -0.342 19766 12805 1 20 . 1 1 69 69 VAL C C 69 178.798 178.798 178.034 0.764 19766 12806 1 20 . 1 1 69 69 VAL CA C 69 67.025 67.025 67.149 -0.124 19766 12807 1 20 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.747 0.090 19766 12808 1 20 . 1 1 69 69 VAL H H 69 8.162 8.162 7.555 0.607 19766 12809 1 20 . 1 1 70 70 ASP N N 70 117.230 117.230 117.274 -0.044 19766 12810 1 20 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.401 -0.347 19766 12811 1 20 . 1 1 70 70 ASP C C 70 178.297 178.297 177.271 1.026 19766 12812 1 20 . 1 1 70 70 ASP CA C 70 57.269 57.269 57.028 0.241 19766 12813 1 20 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.380 -1.758 19766 12814 1 20 . 1 1 70 70 ASP H H 70 8.262 8.262 8.315 -0.053 19766 12815 1 20 . 1 1 71 71 ASN N N 71 111.214 111.214 115.760 -4.546 19766 12816 1 20 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.646 0.217 19766 12817 1 20 . 1 1 71 71 ASN C C 71 176.614 176.614 176.723 -0.109 19766 12818 1 20 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.532 1.069 19766 12819 1 20 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.929 1.671 19766 12820 1 20 . 1 1 71 71 ASN H H 71 7.541 7.541 8.211 -0.670 19766 12821 1 20 . 1 1 72 72 LEU N N 72 116.127 116.127 117.463 -1.336 19766 12822 1 20 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.128 0.521 19766 12823 1 20 . 1 1 72 72 LEU C C 72 177.465 177.465 176.699 0.766 19766 12824 1 20 . 1 1 72 72 LEU CA C 72 54.351 54.351 55.546 -1.195 19766 12825 1 20 . 1 1 72 72 LEU CB C 72 42.548 42.548 41.707 0.841 19766 12826 1 20 . 1 1 72 72 LEU H H 72 8.323 8.323 7.327 0.996 19766 12827 1 20 . 1 1 73 73 ASN N N 73 118.792 118.792 117.762 1.030 19766 12828 1 20 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.584 -0.173 19766 12829 1 20 . 1 1 73 73 ASN C C 73 177.085 177.085 176.438 0.647 19766 12830 1 20 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.806 1.748 19766 12831 1 20 . 1 1 73 73 ASN CB C 73 39.458 39.458 37.952 1.506 19766 12832 1 20 . 1 1 73 73 ASN H H 73 6.965 6.965 7.475 -0.510 19766 12833 1 20 . 1 1 74 74 GLY N N 74 115.779 115.779 114.337 1.442 19766 12834 1 20 . 1 1 74 74 GLY C C 74 172.848 172.848 173.932 -1.084 19766 12835 1 20 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.931 0.827 19766 12836 1 20 . 1 1 74 74 GLY H H 74 9.389 9.389 8.761 0.628 19766 12837 1 20 . 1 1 75 75 PHE N N 75 123.194 123.194 122.892 0.302 19766 12838 1 20 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.386 -0.099 19766 12839 1 20 . 1 1 75 75 PHE C C 75 174.778 174.778 174.477 0.301 19766 12840 1 20 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.339 0.534 19766 12841 1 20 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.259 1.343 19766 12842 1 20 . 1 1 75 75 PHE H H 75 8.133 8.133 8.045 0.088 19766 12843 1 20 . 1 1 76 76 LYS N N 76 127.364 127.364 128.808 -1.444 19766 12844 1 20 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.780 -0.109 19766 12845 1 20 . 1 1 76 76 LYS C C 76 175.286 175.286 175.684 -0.398 19766 12846 1 20 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.682 0.570 19766 12847 1 20 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.410 0.791 19766 12848 1 20 . 1 1 76 76 LYS H H 76 7.596 7.596 7.948 -0.352 19766 12849 1 20 . 1 1 77 77 ILE N N 77 120.094 120.094 127.567 -7.473 19766 12850 1 20 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.223 0.135 19766 12851 1 20 . 1 1 77 77 ILE C C 77 177.519 177.519 175.753 1.766 19766 12852 1 20 . 1 1 77 77 ILE CA C 77 60.503 60.503 61.130 -0.627 19766 12853 1 20 . 1 1 77 77 ILE CB C 77 40.636 40.636 40.256 0.380 19766 12854 1 20 . 1 1 77 77 ILE H H 77 8.004 8.004 9.142 -1.138 19766 12855 1 20 . 1 1 78 78 GLY N N 78 119.932 119.932 116.212 3.720 19766 12856 1 20 . 1 1 78 78 GLY C C 78 175.944 175.944 175.286 0.658 19766 12857 1 20 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.114 2.105 19766 12858 1 20 . 1 1 78 78 GLY H H 78 10.183 10.183 8.995 1.188 19766 12859 1 20 . 1 1 79 79 GLY N N 79 104.505 104.505 105.278 -0.773 19766 12860 1 20 . 1 1 79 79 GLY C C 79 173.347 173.347 173.841 -0.494 19766 12861 1 20 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.840 0.252 19766 12862 1 20 . 1 1 79 79 GLY H H 79 8.892 8.892 8.390 0.502 19766 12863 1 20 . 1 1 80 80 ARG N N 80 119.144 119.144 117.688 1.456 19766 12864 1 20 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.632 0.034 19766 12865 1 20 . 1 1 80 80 ARG C C 80 174.693 174.693 173.406 1.287 19766 12866 1 20 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.179 0.499 19766 12867 1 20 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.333 1.074 19766 12868 1 20 . 1 1 80 80 ARG H H 80 7.281 7.281 7.474 -0.193 19766 12869 1 20 . 1 1 81 81 ALA N N 81 126.229 126.229 123.104 3.125 19766 12870 1 20 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.239 -1.038 19766 12871 1 20 . 1 1 81 81 ALA C C 81 176.967 176.967 177.045 -0.078 19766 12872 1 20 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.722 0.407 19766 12873 1 20 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.538 -1.338 19766 12874 1 20 . 1 1 81 81 ALA H H 81 8.673 8.673 8.374 0.299 19766 12875 1 20 . 1 1 82 82 LEU N N 82 125.471 125.471 120.082 5.389 19766 12876 1 20 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.805 -0.381 19766 12877 1 20 . 1 1 82 82 LEU C C 82 177.436 177.436 175.996 1.440 19766 12878 1 20 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.354 1.796 19766 12879 1 20 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.575 0.698 19766 12880 1 20 . 1 1 82 82 LEU H H 82 8.702 8.702 8.562 0.140 19766 12881 1 20 . 1 1 83 83 LYS N N 83 123.609 123.609 122.539 1.070 19766 12882 1 20 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.078 -0.073 19766 12883 1 20 . 1 1 83 83 LYS C C 83 174.759 174.759 175.119 -0.360 19766 12884 1 20 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.150 0.635 19766 12885 1 20 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.981 -0.535 19766 12886 1 20 . 1 1 83 83 LYS H H 83 7.853 7.853 8.871 -1.018 19766 12887 1 20 . 1 1 84 84 ILE N N 84 125.547 125.547 126.428 -0.881 19766 12888 1 20 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.482 0.217 19766 12889 1 20 . 1 1 84 84 ILE C C 84 174.989 174.989 175.377 -0.388 19766 12890 1 20 . 1 1 84 84 ILE CA C 84 58.419 58.419 59.773 -1.354 19766 12891 1 20 . 1 1 84 84 ILE CB C 84 40.367 40.367 41.747 -1.380 19766 12892 1 20 . 1 1 84 84 ILE H H 84 8.719 8.719 8.612 0.107 19766 12893 1 20 . 1 1 85 85 ASP N N 85 124.650 124.650 123.988 0.662 19766 12894 1 20 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.015 -0.011 19766 12895 1 20 . 1 1 85 85 ASP C C 85 175.302 175.302 174.254 1.048 19766 12896 1 20 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.230 0.251 19766 12897 1 20 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.830 0.639 19766 12898 1 20 . 1 1 85 85 ASP H H 85 8.826 8.826 8.911 -0.085 19766 12899 1 20 . 1 1 86 86 HIS N N 86 121.936 121.936 118.362 3.574 19766 12900 1 20 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.141 -0.438 19766 12901 1 20 . 1 1 86 86 HIS C C 86 175.216 175.216 175.401 -0.185 19766 12902 1 20 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.249 1.695 19766 12903 1 20 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.495 -0.016 19766 12904 1 20 . 1 1 86 86 HIS H H 86 8.909 8.909 8.856 0.053 19766 12905 1 20 . 1 1 87 87 THR N N 87 116.612 116.612 118.776 -2.164 19766 12906 1 20 . 1 1 87 87 THR HA H 87 4.688 4.688 4.855 -0.167 19766 12907 1 20 . 1 1 87 87 THR CA C 87 61.030 61.030 61.304 -0.274 19766 12908 1 20 . 1 1 87 87 THR CB C 87 69.903 69.903 71.079 -1.176 19766 12909 1 20 . 1 1 87 87 THR H H 87 8.521 8.521 8.635 -0.114 19766 12910 1 20 . 1 1 88 88 PHE N N 88 123.233 123.233 129.886 -6.653 19766 12911 1 20 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.886 0.408 19766 12912 1 20 . 1 1 88 88 PHE C C 88 176.452 176.452 174.103 2.349 19766 12913 1 20 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.292 -0.359 19766 12914 1 20 . 1 1 88 88 PHE CB C 88 41.113 41.113 39.721 1.392 19766 12915 1 20 . 1 1 88 88 PHE H H 88 8.145 8.145 8.703 -0.558 19766 12916 1 20 . 1 1 89 89 TYR N N 89 122.872 122.872 125.912 -3.040 19766 12917 1 20 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.615 -0.541 19766 12918 1 20 . 1 1 89 89 TYR C C 89 173.089 173.089 174.093 -1.004 19766 12919 1 20 . 1 1 89 89 TYR CA C 89 57.529 57.529 56.028 1.501 19766 12920 1 20 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.588 0.220 19766 12921 1 20 . 1 1 89 89 TYR H H 89 8.242 8.242 7.798 0.444 19766 12922 1 20 . 1 1 90 90 ARG N N 90 128.867 128.867 122.785 6.082 19766 12923 1 20 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.019 0.410 19766 12924 1 20 . 1 1 90 90 ARG CA C 90 51.568 51.568 52.670 -1.102 19766 12925 1 20 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.277 1.717 19766 12926 1 20 . 1 1 90 90 ARG H H 90 7.018 7.018 8.407 -1.389 19766 12927 1 20 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.921 0.269 19766 12928 1 20 . 1 1 91 91 PRO C C 91 176.284 176.284 176.153 0.131 19766 12929 1 20 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.087 0.402 19766 12930 1 20 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.594 1.453 19766 12931 1 20 . 1 1 92 92 LYS N N 92 119.987 119.987 124.226 -4.239 19766 12932 1 20 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.190 0.492 19766 12933 1 20 . 1 1 92 92 LYS CA C 92 54.687 54.687 55.804 -1.117 19766 12934 1 20 . 1 1 92 92 LYS CB C 92 35.059 35.059 32.950 2.109 19766 12935 1 20 . 1 1 92 92 LYS H H 92 8.672 8.672 8.387 0.285 19766 12936 1 20 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.117 0.057 19766 12937 1 20 . 1 1 93 93 ARG C C 93 178.848 178.848 178.583 0.265 19766 12938 1 20 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.748 0.444 19766 12939 1 20 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.704 0.091 19766 12940 1 20 . 1 1 94 94 SER N N 94 112.252 112.252 114.379 -2.127 19766 12941 1 20 . 1 1 94 94 SER HA H 94 4.266 4.266 4.284 -0.018 19766 12942 1 20 . 1 1 94 94 SER C C 94 175.827 175.827 175.288 0.539 19766 12943 1 20 . 1 1 94 94 SER CA C 94 60.087 60.087 60.869 -0.782 19766 12944 1 20 . 1 1 94 94 SER CB C 94 62.266 62.266 62.833 -0.567 19766 12945 1 20 . 1 1 94 94 SER H H 94 8.353 8.353 8.417 -0.064 19766 12946 1 20 . 1 1 95 95 LEU N N 95 122.261 122.261 119.047 3.214 19766 12947 1 20 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.733 -0.068 19766 12948 1 20 . 1 1 95 95 LEU C C 95 175.444 175.444 177.919 -2.475 19766 12949 1 20 . 1 1 95 95 LEU CA C 95 54.104 54.104 54.054 0.049 19766 12950 1 20 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.282 0.630 19766 12951 1 20 . 1 1 95 95 LEU H H 95 7.229 7.229 7.852 -0.623 19766 12952 1 20 . 1 1 96 96 GLN N N 96 118.873 118.873 121.064 -2.191 19766 12953 1 20 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.135 -0.042 19766 12954 1 20 . 1 1 96 96 GLN C C 96 177.668 177.668 177.604 0.064 19766 12955 1 20 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.058 1.652 19766 12956 1 20 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.508 0.473 19766 12957 1 20 . 1 1 96 96 GLN H H 96 7.390 7.390 7.883 -0.493 19766 12958 1 20 . 1 1 97 97 LYS N N 97 116.416 116.416 119.242 -2.826 19766 12959 1 20 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.128 -0.011 19766 12960 1 20 . 1 1 97 97 LYS C C 97 179.237 179.237 179.180 0.057 19766 12961 1 20 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.287 1.106 19766 12962 1 20 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.521 -0.005 19766 12963 1 20 . 1 1 97 97 LYS H H 97 8.595 8.595 8.414 0.181 19766 12964 1 20 . 1 1 98 98 TYR N N 98 123.922 123.922 122.374 1.548 19766 12965 1 20 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.166 -0.029 19766 12966 1 20 . 1 1 98 98 TYR C C 98 177.309 177.309 177.636 -0.327 19766 12967 1 20 . 1 1 98 98 TYR CA C 98 62.229 62.229 62.225 0.004 19766 12968 1 20 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.560 -1.270 19766 12969 1 20 . 1 1 98 98 TYR H H 98 7.558 7.558 8.153 -0.595 19766 12970 1 20 . 1 1 99 99 TYR N N 99 118.047 118.047 118.393 -0.346 19766 12971 1 20 . 1 1 99 99 TYR HA H 99 5.108 5.108 4.174 0.934 19766 12972 1 20 . 1 1 99 99 TYR CA C 99 57.898 57.898 62.272 -4.374 19766 12973 1 20 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.250 -1.028 19766 12974 1 20 . 1 1 99 99 TYR H H 99 8.624 8.624 8.085 0.539 19766 12975 1 20 . 1 1 100 100 GLU N N 100 118.804 118.804 118.232 0.572 19766 12976 1 20 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.997 0.069 19766 12977 1 20 . 1 1 100 100 GLU C C 100 178.595 178.595 178.364 0.231 19766 12978 1 20 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.365 0.120 19766 12979 1 20 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.156 0.639 19766 12980 1 20 . 1 1 100 100 GLU H H 100 8.348 8.348 8.707 -0.359 19766 12981 1 20 . 1 1 101 101 ALA N N 101 123.315 123.315 122.193 1.122 19766 12982 1 20 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.016 0.279 19766 12983 1 20 . 1 1 101 101 ALA C C 101 181.438 181.438 179.557 1.881 19766 12984 1 20 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.818 0.040 19766 12985 1 20 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.473 0.204 19766 12986 1 20 . 1 1 101 101 ALA H H 101 7.963 7.963 7.621 0.342 19766 12987 1 20 . 1 1 102 102 VAL N N 102 120.092 120.092 117.964 2.128 19766 12988 1 20 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.657 0.120 19766 12989 1 20 . 1 1 102 102 VAL C C 102 176.958 176.958 178.474 -1.516 19766 12990 1 20 . 1 1 102 102 VAL CA C 102 67.405 67.405 65.754 1.651 19766 12991 1 20 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.335 0.501 19766 12992 1 20 . 1 1 102 102 VAL H H 102 8.321 8.321 7.819 0.502 19766 12993 1 20 . 1 1 103 103 LYS N N 103 120.226 120.226 119.244 0.982 19766 12994 1 20 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.037 -0.111 19766 12995 1 20 . 1 1 103 103 LYS C C 103 178.354 178.354 178.502 -0.148 19766 12996 1 20 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.678 0.005 19766 12997 1 20 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.768 0.408 19766 12998 1 20 . 1 1 103 103 LYS H H 103 8.266 8.266 8.162 0.104 19766 12999 1 20 . 1 1 104 104 GLU N N 104 116.521 116.521 119.141 -2.620 19766 13000 1 20 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.123 -0.162 19766 13001 1 20 . 1 1 104 104 GLU C C 104 178.628 178.628 178.248 0.380 19766 13002 1 20 . 1 1 104 104 GLU CA C 104 59.110 59.110 58.848 0.262 19766 13003 1 20 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.820 0.905 19766 13004 1 20 . 1 1 104 104 GLU H H 104 8.027 8.027 8.242 -0.215 19766 13005 1 20 . 1 1 105 105 GLU N N 105 118.569 118.569 117.051 1.518 19766 13006 1 20 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.355 -0.455 19766 13007 1 20 . 1 1 105 105 GLU C C 105 178.399 178.399 177.874 0.525 19766 13008 1 20 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.484 0.781 19766 13009 1 20 . 1 1 105 105 GLU CB C 105 29.773 29.773 30.280 -0.507 19766 13010 1 20 . 1 1 105 105 GLU H H 105 7.225 7.225 7.877 -0.652 19766 13011 1 20 . 1 1 106 106 LEU N N 106 116.938 116.938 118.979 -2.041 19766 13012 1 20 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.349 -0.316 19766 13013 1 20 . 1 1 106 106 LEU C C 106 179.770 179.770 179.022 0.748 19766 13014 1 20 . 1 1 106 106 LEU CA C 106 56.925 56.925 56.666 0.259 19766 13015 1 20 . 1 1 106 106 LEU CB C 106 40.285 40.285 42.572 -2.287 19766 13016 1 20 . 1 1 106 106 LEU H H 106 8.273 8.273 7.301 0.972 19766 13017 1 20 . 1 1 107 107 ASP N N 107 119.855 119.855 119.739 0.116 19766 13018 1 20 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.340 0.208 19766 13019 1 20 . 1 1 107 107 ASP C C 107 177.891 177.891 177.874 0.017 19766 13020 1 20 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.910 -1.977 19766 13021 1 20 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.812 -0.098 19766 13022 1 20 . 1 1 107 107 ASP H H 107 8.286 8.286 8.848 -0.562 19766 13023 1 20 . 1 1 108 108 ARG N N 108 118.853 118.853 116.816 2.037 19766 13024 1 20 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.075 0.006 19766 13025 1 20 . 1 1 108 108 ARG C C 108 177.325 177.325 177.769 -0.444 19766 13026 1 20 . 1 1 108 108 ARG CA C 108 58.009 58.009 58.559 -0.550 19766 13027 1 20 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.379 1.025 19766 13028 1 20 . 1 1 108 108 ARG H H 108 7.406 7.406 8.451 -1.045 19766 13029 1 20 . 1 1 109 109 ASP N N 109 119.636 119.636 116.839 2.797 19766 13030 1 20 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.669 -0.134 19766 13031 1 20 . 1 1 109 109 ASP C C 109 176.758 176.758 177.170 -0.412 19766 13032 1 20 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.313 -0.075 19766 13033 1 20 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.538 -0.793 19766 13034 1 20 . 1 1 109 109 ASP H H 109 7.853 7.853 7.961 -0.108 19766 13035 1 20 . 1 1 110 110 ILE N N 110 119.905 119.905 118.343 1.562 19766 13036 1 20 . 1 1 110 110 ILE HA H 110 4.104 4.104 4.098 0.006 19766 13037 1 20 . 1 1 110 110 ILE C C 110 176.642 176.642 176.681 -0.039 19766 13038 1 20 . 1 1 110 110 ILE CA C 110 61.776 61.776 62.343 -0.567 19766 13039 1 20 . 1 1 110 110 ILE CB C 110 38.454 38.454 39.193 -0.739 19766 13040 1 20 . 1 1 110 110 ILE H H 110 7.623 7.623 7.396 0.227 19766 13041 1 20 . 1 1 111 111 VAL N N 111 122.938 122.938 120.333 2.605 19766 13042 1 20 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.948 0.130 19766 13043 1 20 . 1 1 111 111 VAL C C 111 176.668 176.668 177.286 -0.618 19766 13044 1 20 . 1 1 111 111 VAL CA C 111 63.037 63.037 63.271 -0.234 19766 13045 1 20 . 1 1 111 111 VAL CB C 111 32.482 32.482 33.180 -0.698 19766 13046 1 20 . 1 1 111 111 VAL H H 111 8.043 8.043 8.077 -0.034 19766 13047 1 20 . 1 1 112 112 SER N N 112 118.345 118.345 124.273 -5.928 19766 13048 1 20 . 1 1 112 112 SER HA H 112 4.417 4.417 4.569 -0.152 19766 13049 1 20 . 1 1 112 112 SER C C 112 174.925 174.925 173.394 1.531 19766 13050 1 20 . 1 1 112 112 SER CA C 112 58.848 58.848 58.051 0.797 19766 13051 1 20 . 1 1 112 112 SER CB C 112 63.551 63.551 61.341 2.210 19766 13052 1 20 . 1 1 112 112 SER H H 112 8.210 8.210 8.703 -0.493 19766 13053 1 20 . 1 1 113 113 LYS N N 113 122.729 122.729 119.775 2.954 19766 13054 1 20 . 1 1 113 113 LYS HA H 113 4.318 4.318 3.972 0.346 19766 13055 1 20 . 1 1 113 113 LYS CA C 113 56.596 56.596 57.367 -0.771 19766 13056 1 20 . 1 1 113 113 LYS CB C 113 32.846 32.846 30.633 2.213 19766 13057 1 20 . 1 1 113 113 LYS H H 113 8.295 8.295 7.558 0.737 19766 13058 1 20 . 1 1 114 114 ASN N N 114 119.243 119.243 120.749 -1.506 19766 13059 1 20 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.870 -0.192 19766 13060 1 20 . 1 1 114 114 ASN CA C 114 53.483 53.483 52.760 0.723 19766 13061 1 20 . 1 1 114 114 ASN CB C 114 38.858 38.858 38.975 -0.117 19766 13062 1 20 . 1 1 114 114 ASN H H 114 8.372 8.372 8.330 0.042 19766 13063 1 20 . 1 1 115 115 ASN N N 115 119.155 119.155 122.424 -3.269 19766 13064 1 20 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.616 0.066 19766 13065 1 20 . 1 1 115 115 ASN C C 115 174.877 174.877 175.190 -0.313 19766 13066 1 20 . 1 1 115 115 ASN CA C 115 53.483 53.483 54.322 -0.839 19766 13067 1 20 . 1 1 115 115 ASN CB C 115 38.858 38.858 38.427 0.431 19766 13068 1 20 . 1 1 115 115 ASN H H 115 8.372 8.372 8.428 -0.056 19766 13069 1 20 . 1 1 116 116 ALA N N 116 123.743 123.743 121.460 2.283 19766 13070 1 20 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.507 -0.178 19766 13071 1 20 . 1 1 116 116 ALA C C 116 177.574 177.574 176.533 1.041 19766 13072 1 20 . 1 1 116 116 ALA CA C 116 52.693 52.693 51.708 0.985 19766 13073 1 20 . 1 1 116 116 ALA CB C 116 19.347 19.347 20.723 -1.376 19766 13074 1 20 . 1 1 116 116 ALA H H 116 8.116 8.116 7.579 0.537 19766 13075 1 20 . 1 1 117 117 GLU N N 117 120.161 120.161 120.468 -0.307 19766 13076 1 20 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.352 -0.079 19766 13077 1 20 . 1 1 117 117 GLU C C 117 175.557 175.557 175.784 -0.227 19766 13078 1 20 . 1 1 117 117 GLU CA C 117 56.659 56.659 57.416 -0.757 19766 13079 1 20 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.221 -0.067 19766 13080 1 20 . 1 1 117 117 GLU H H 117 8.220 8.220 8.582 -0.362 19766 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 111 3.185 0.404 3.173 19766 2 1 1 "Average Difference" HA 125 0.380 0.058 0.377 19766 3 1 1 "Average Difference" C 104 1.234 -0.141 1.231 19766 4 1 1 "Average Difference" CA 116 1.144 -0.262 1.118 19766 5 1 1 "Average Difference" CB 105 1.197 -0.221 1.182 19766 6 1 1 "Average Difference" HN 111 0.570 -0.065 0.569 19766 7 1 2 "Average Difference" N 111 3.283 0.344 3.279 19766 8 1 2 "Average Difference" HA 125 0.374 0.045 0.373 19766 9 1 2 "Average Difference" C 104 1.244 -0.099 1.246 19766 10 1 2 "Average Difference" CA 116 1.112 -0.156 1.106 19766 11 1 2 "Average Difference" CB 105 1.193 -0.166 1.187 19766 12 1 2 "Average Difference" HN 111 0.542 -0.042 0.543 19766 13 1 3 "Average Difference" N 111 3.128 0.369 3.120 19766 14 1 3 "Average Difference" HA 125 0.381 0.031 0.381 19766 15 1 3 "Average Difference" C 104 1.175 -0.096 1.177 19766 16 1 3 "Average Difference" CA 116 1.103 -0.250 1.078 19766 17 1 3 "Average Difference" CB 105 1.118 -0.211 1.103 19766 18 1 3 "Average Difference" HN 111 0.556 0.011 0.559 19766 19 1 4 "Average Difference" N 111 3.223 0.659 3.169 19766 20 1 4 "Average Difference" HA 125 0.369 0.031 0.369 19766 21 1 4 "Average Difference" C 104 1.183 -0.050 1.187 19766 22 1 4 "Average Difference" CA 116 1.091 -0.236 1.070 19766 23 1 4 "Average Difference" CB 105 1.049 -0.248 1.025 19766 24 1 4 "Average Difference" HN 111 0.529 -0.065 0.528 19766 25 1 5 "Average Difference" N 111 3.092 0.328 3.088 19766 26 1 5 "Average Difference" HA 125 0.362 0.009 0.363 19766 27 1 5 "Average Difference" C 104 1.074 0.003 1.080 19766 28 1 5 "Average Difference" CA 116 1.086 -0.129 1.083 19766 29 1 5 "Average Difference" CB 105 1.076 -0.265 1.048 19766 30 1 5 "Average Difference" HN 111 0.558 -0.039 0.559 19766 31 1 6 "Average Difference" N 111 3.274 0.327 3.273 19766 32 1 6 "Average Difference" HA 125 0.382 0.058 0.379 19766 33 1 6 "Average Difference" C 104 1.167 -0.075 1.171 19766 34 1 6 "Average Difference" CA 116 1.199 -0.255 1.177 19766 35 1 6 "Average Difference" CB 105 1.111 -0.167 1.104 19766 36 1 6 "Average Difference" HN 111 0.546 -0.024 0.548 19766 37 1 7 "Average Difference" N 111 3.283 0.257 3.288 19766 38 1 7 "Average Difference" HA 125 0.396 0.064 0.392 19766 39 1 7 "Average Difference" C 104 1.176 -0.119 1.175 19766 40 1 7 "Average Difference" CA 116 1.149 -0.263 1.123 19766 41 1 7 "Average Difference" CB 105 1.099 -0.248 1.076 19766 42 1 7 "Average Difference" HN 111 0.574 -0.032 0.576 19766 43 1 8 "Average Difference" N 111 3.456 0.553 3.426 19766 44 1 8 "Average Difference" HA 125 0.367 0.035 0.367 19766 45 1 8 "Average Difference" C 104 1.181 -0.151 1.177 19766 46 1 8 "Average Difference" CA 116 1.254 -0.215 1.240 19766 47 1 8 "Average Difference" CB 105 0.998 -0.206 0.981 19766 48 1 8 "Average Difference" HN 111 0.565 -0.072 0.563 19766 49 1 9 "Average Difference" N 111 3.131 0.505 3.104 19766 50 1 9 "Average Difference" HA 125 0.378 0.060 0.375 19766 51 1 9 "Average Difference" C 104 1.214 -0.104 1.215 19766 52 1 9 "Average Difference" CA 116 1.194 -0.255 1.172 19766 53 1 9 "Average Difference" CB 105 1.103 -0.172 1.095 19766 54 1 9 "Average Difference" HN 111 0.562 -0.059 0.561 19766 55 1 10 "Average Difference" N 111 3.087 0.429 3.071 19766 56 1 10 "Average Difference" HA 125 0.376 0.060 0.373 19766 57 1 10 "Average Difference" C 104 1.160 -0.008 1.166 19766 58 1 10 "Average Difference" CA 116 1.076 -0.178 1.065 19766 59 1 10 "Average Difference" CB 105 0.967 -0.276 0.932 19766 60 1 10 "Average Difference" HN 111 0.566 -0.033 0.568 19766 61 1 11 "Average Difference" N 111 3.374 0.589 3.337 19766 62 1 11 "Average Difference" HA 125 0.386 0.044 0.385 19766 63 1 11 "Average Difference" C 104 1.177 -0.125 1.176 19766 64 1 11 "Average Difference" CA 116 1.188 -0.249 1.166 19766 65 1 11 "Average Difference" CB 105 1.056 -0.243 1.033 19766 66 1 11 "Average Difference" HN 111 0.574 -0.009 0.576 19766 67 1 12 "Average Difference" N 111 3.427 0.424 3.416 19766 68 1 12 "Average Difference" HA 125 0.371 0.040 0.370 19766 69 1 12 "Average Difference" C 104 1.169 -0.106 1.170 19766 70 1 12 "Average Difference" CA 116 1.169 -0.179 1.161 19766 71 1 12 "Average Difference" CB 105 1.203 -0.186 1.194 19766 72 1 12 "Average Difference" HN 111 0.550 -0.016 0.552 19766 73 1 13 "Average Difference" N 111 3.291 0.462 3.273 19766 74 1 13 "Average Difference" HA 125 0.375 0.055 0.373 19766 75 1 13 "Average Difference" C 104 1.171 -0.114 1.171 19766 76 1 13 "Average Difference" CA 116 1.141 -0.263 1.115 19766 77 1 13 "Average Difference" CB 105 1.103 -0.269 1.075 19766 78 1 13 "Average Difference" HN 111 0.529 -0.052 0.529 19766 79 1 14 "Average Difference" N 111 3.438 0.336 3.437 19766 80 1 14 "Average Difference" HA 125 0.375 0.058 0.372 19766 81 1 14 "Average Difference" C 104 1.256 -0.088 1.259 19766 82 1 14 "Average Difference" CA 116 1.183 -0.211 1.169 19766 83 1 14 "Average Difference" CB 105 1.087 -0.185 1.076 19766 84 1 14 "Average Difference" HN 111 0.536 -0.021 0.538 19766 85 1 15 "Average Difference" N 111 3.249 0.522 3.222 19766 86 1 15 "Average Difference" HA 125 0.362 0.037 0.362 19766 87 1 15 "Average Difference" C 104 1.165 -0.106 1.166 19766 88 1 15 "Average Difference" CA 116 1.134 -0.293 1.101 19766 89 1 15 "Average Difference" CB 105 1.052 -0.283 1.019 19766 90 1 15 "Average Difference" HN 111 0.514 -0.034 0.515 19766 91 1 16 "Average Difference" N 111 3.325 0.455 3.309 19766 92 1 16 "Average Difference" HA 125 0.383 0.024 0.384 19766 93 1 16 "Average Difference" C 104 1.142 -0.128 1.141 19766 94 1 16 "Average Difference" CA 116 1.083 -0.215 1.066 19766 95 1 16 "Average Difference" CB 105 1.070 -0.282 1.037 19766 96 1 16 "Average Difference" HN 111 0.525 -0.024 0.527 19766 97 1 17 "Average Difference" N 111 3.303 0.657 3.251 19766 98 1 17 "Average Difference" HA 125 0.362 0.034 0.362 19766 99 1 17 "Average Difference" C 104 1.138 -0.075 1.141 19766 100 1 17 "Average Difference" CA 116 1.164 -0.206 1.151 19766 101 1 17 "Average Difference" CB 105 1.140 -0.214 1.125 19766 102 1 17 "Average Difference" HN 111 0.572 -0.016 0.575 19766 103 1 18 "Average Difference" N 111 3.167 0.504 3.140 19766 104 1 18 "Average Difference" HA 125 0.368 0.049 0.367 19766 105 1 18 "Average Difference" C 104 1.187 -0.124 1.186 19766 106 1 18 "Average Difference" CA 116 1.149 -0.329 1.106 19766 107 1 18 "Average Difference" CB 105 1.018 -0.270 0.987 19766 108 1 18 "Average Difference" HN 111 0.518 -0.022 0.520 19766 109 1 19 "Average Difference" N 111 3.259 0.251 3.264 19766 110 1 19 "Average Difference" HA 125 0.379 0.030 0.379 19766 111 1 19 "Average Difference" C 104 1.147 -0.064 1.151 19766 112 1 19 "Average Difference" CA 116 1.160 -0.206 1.146 19766 113 1 19 "Average Difference" CB 105 1.074 -0.270 1.044 19766 114 1 19 "Average Difference" HN 111 0.516 -0.041 0.517 19766 115 1 20 "Average Difference" N 111 3.448 0.385 3.442 19766 116 1 20 "Average Difference" HA 125 0.366 0.031 0.366 19766 117 1 20 "Average Difference" C 104 1.144 -0.082 1.147 19766 118 1 20 "Average Difference" CA 116 1.152 -0.187 1.141 19766 119 1 20 "Average Difference" CB 105 1.103 -0.296 1.068 19766 120 1 20 "Average Difference" HN 111 0.527 0.001 0.530 19766 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 19766 _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 ALA HA H 2 4.340 4.340 4.498 -0.158 19766 2 1 . 1 1 2 2 ALA C C 2 177.830 177.830 176.420 1.410 19766 3 1 . 1 1 2 2 ALA CA C 2 52.693 52.693 52.175 0.518 19766 4 1 . 1 1 2 2 ALA CB C 2 19.359 19.359 19.346 0.013 19766 5 1 . 1 1 3 3 MET N N 3 119.580 119.580 120.886 -1.306 19766 6 1 . 1 1 3 3 MET HA H 3 4.482 4.482 4.730 -0.248 19766 7 1 . 1 1 3 3 MET C C 3 176.714 176.714 176.507 0.207 19766 8 1 . 1 1 3 3 MET CA C 3 55.590 55.590 54.625 0.965 19766 9 1 . 1 1 3 3 MET CB C 3 32.922 32.922 33.618 -0.696 19766 10 1 . 1 1 3 3 MET H H 3 8.451 8.451 8.147 0.304 19766 11 1 . 1 1 4 4 GLY N N 4 109.951 109.951 110.844 -0.893 19766 12 1 . 1 1 4 4 GLY C C 4 174.082 174.082 174.132 -0.050 19766 13 1 . 1 1 4 4 GLY CA C 4 45.466 45.466 45.217 0.249 19766 14 1 . 1 1 4 4 GLY H H 4 8.400 8.400 8.860 -0.460 19766 15 1 . 1 1 5 5 ASN N N 5 118.667 118.667 118.760 -0.093 19766 16 1 . 1 1 5 5 ASN HA H 5 4.684 4.684 4.614 0.070 19766 17 1 . 1 1 5 5 ASN C C 5 175.489 175.489 175.900 -0.411 19766 18 1 . 1 1 5 5 ASN CA C 5 53.501 53.501 54.275 -0.774 19766 19 1 . 1 1 5 5 ASN CB C 5 38.966 38.966 38.523 0.443 19766 20 1 . 1 1 5 5 ASN H H 5 8.378 8.378 8.418 -0.040 19766 21 1 . 1 1 6 6 GLU N N 6 120.908 120.908 118.446 2.462 19766 22 1 . 1 1 6 6 GLU HA H 6 4.166 4.166 4.125 0.041 19766 23 1 . 1 1 6 6 GLU C C 6 176.336 176.336 176.163 0.173 19766 24 1 . 1 1 6 6 GLU CA C 6 57.269 57.269 57.267 0.002 19766 25 1 . 1 1 6 6 GLU CB C 6 29.736 29.736 29.512 0.224 19766 26 1 . 1 1 6 6 GLU H H 6 8.620 8.620 8.327 0.293 19766 27 1 . 1 1 7 7 TYR N N 7 120.339 120.339 118.686 1.653 19766 28 1 . 1 1 7 7 TYR HA H 7 4.500 4.500 4.517 -0.017 19766 29 1 . 1 1 7 7 TYR C C 7 175.808 175.808 175.315 0.493 19766 30 1 . 1 1 7 7 TYR CA C 7 58.151 58.151 57.728 0.423 19766 31 1 . 1 1 7 7 TYR CB C 7 38.194 38.194 38.671 -0.477 19766 32 1 . 1 1 7 7 TYR H H 7 8.045 8.045 7.642 0.403 19766 33 1 . 1 1 8 8 LYS N N 8 121.700 121.700 121.329 0.371 19766 34 1 . 1 1 8 8 LYS HA H 8 4.150 4.150 4.137 0.013 19766 35 1 . 1 1 8 8 LYS C C 8 175.868 175.868 176.337 -0.469 19766 36 1 . 1 1 8 8 LYS CA C 8 56.562 56.562 56.881 -0.319 19766 37 1 . 1 1 8 8 LYS CB C 8 33.158 33.158 32.788 0.370 19766 38 1 . 1 1 8 8 LYS H H 8 7.829 7.829 8.299 -0.470 19766 39 1 . 1 1 9 9 ASP N N 9 119.811 119.811 118.048 1.763 19766 40 1 . 1 1 9 9 ASP HA H 9 4.638 4.638 4.560 0.078 19766 41 1 . 1 1 9 9 ASP C C 9 175.972 175.972 175.566 0.406 19766 42 1 . 1 1 9 9 ASP CA C 9 54.624 54.624 54.621 0.003 19766 43 1 . 1 1 9 9 ASP CB C 9 41.539 41.539 40.623 0.916 19766 44 1 . 1 1 9 9 ASP H H 9 8.137 8.137 8.290 -0.153 19766 45 1 . 1 1 10 10 ASN N N 10 119.794 119.794 118.718 1.076 19766 46 1 . 1 1 10 10 ASN HA H 10 4.972 4.972 4.969 0.003 19766 47 1 . 1 1 10 10 ASN CA C 10 52.845 52.845 52.896 -0.051 19766 48 1 . 1 1 10 10 ASN CB C 10 38.759 38.759 38.476 0.283 19766 49 1 . 1 1 10 10 ASN H H 10 8.292 8.292 7.902 0.390 19766 50 1 . 1 1 11 11 ALA HA H 11 4.603 4.603 4.490 0.113 19766 51 1 . 1 1 11 11 ALA CA C 11 53.249 53.249 52.843 0.405 19766 52 1 . 1 1 11 11 ALA CB C 11 19.188 19.188 19.589 -0.401 19766 53 1 . 1 1 12 12 TYR N N 12 118.889 118.889 118.777 0.112 19766 54 1 . 1 1 12 12 TYR HA H 12 5.144 5.144 5.178 -0.034 19766 55 1 . 1 1 12 12 TYR C C 12 177.773 177.773 175.559 2.214 19766 56 1 . 1 1 12 12 TYR CA C 12 57.183 57.183 58.341 -1.158 19766 57 1 . 1 1 12 12 TYR CB C 12 42.582 42.582 39.837 2.745 19766 58 1 . 1 1 12 12 TYR H H 12 8.057 8.057 7.813 0.244 19766 59 1 . 1 1 13 13 ILE N N 13 112.765 112.765 118.512 -5.747 19766 60 1 . 1 1 13 13 ILE HA H 13 5.154 5.154 5.073 0.081 19766 61 1 . 1 1 13 13 ILE C C 13 174.312 174.312 174.592 -0.280 19766 62 1 . 1 1 13 13 ILE CA C 13 60.036 60.036 59.189 0.847 19766 63 1 . 1 1 13 13 ILE CB C 13 39.896 39.896 40.796 -0.900 19766 64 1 . 1 1 13 13 ILE H H 13 9.310 9.310 9.320 -0.010 19766 65 1 . 1 1 14 14 TYR N N 14 124.417 124.417 128.261 -3.844 19766 66 1 . 1 1 14 14 TYR HA H 14 4.707 4.707 4.935 -0.228 19766 67 1 . 1 1 14 14 TYR C C 14 173.058 173.058 173.935 -0.877 19766 68 1 . 1 1 14 14 TYR CA C 14 56.212 56.212 57.430 -1.218 19766 69 1 . 1 1 14 14 TYR CB C 14 40.219 40.219 39.648 0.571 19766 70 1 . 1 1 14 14 TYR H H 14 9.252 9.252 9.081 0.171 19766 71 1 . 1 1 15 15 ILE N N 15 127.660 127.660 128.336 -0.676 19766 72 1 . 1 1 15 15 ILE HA H 15 4.265 4.265 5.000 -0.735 19766 73 1 . 1 1 15 15 ILE C C 15 173.705 173.705 174.614 -0.909 19766 74 1 . 1 1 15 15 ILE CA C 15 59.486 59.486 59.564 -0.079 19766 75 1 . 1 1 15 15 ILE CB C 15 40.002 40.002 39.055 0.947 19766 76 1 . 1 1 15 15 ILE H H 15 8.558 8.558 8.679 -0.121 19766 77 1 . 1 1 16 16 GLY N N 16 112.792 112.792 112.585 0.207 19766 78 1 . 1 1 16 16 GLY C C 16 173.110 173.110 173.009 0.101 19766 79 1 . 1 1 16 16 GLY CA C 16 43.249 43.249 43.069 0.180 19766 80 1 . 1 1 16 16 GLY H H 16 9.516 9.516 8.762 0.754 19766 81 1 . 1 1 17 17 ASN N N 17 115.139 115.139 116.577 -1.438 19766 82 1 . 1 1 17 17 ASN HA H 17 4.396 4.396 4.212 0.184 19766 83 1 . 1 1 17 17 ASN C C 17 174.854 174.854 174.057 0.797 19766 84 1 . 1 1 17 17 ASN CA C 17 53.236 53.236 53.691 -0.455 19766 85 1 . 1 1 17 17 ASN CB C 17 37.933 37.933 38.016 -0.083 19766 86 1 . 1 1 17 17 ASN H H 17 8.511 8.511 8.195 0.316 19766 87 1 . 1 1 18 18 LEU N N 18 114.660 114.660 119.170 -4.510 19766 88 1 . 1 1 18 18 LEU HA H 18 4.036 4.036 4.387 -0.351 19766 89 1 . 1 1 18 18 LEU C C 18 178.161 178.161 176.158 2.003 19766 90 1 . 1 1 18 18 LEU CA C 18 53.884 53.884 54.148 -0.264 19766 91 1 . 1 1 18 18 LEU CB C 18 42.562 42.562 43.685 -1.123 19766 92 1 . 1 1 18 18 LEU H H 18 7.839 7.839 7.598 0.241 19766 93 1 . 1 1 19 19 ASN N N 19 122.707 122.707 118.816 3.891 19766 94 1 . 1 1 19 19 ASN HA H 19 4.363 4.363 4.617 -0.254 19766 95 1 . 1 1 19 19 ASN C C 19 178.037 178.037 176.600 1.437 19766 96 1 . 1 1 19 19 ASN CA C 19 54.604 54.604 53.125 1.479 19766 97 1 . 1 1 19 19 ASN CB C 19 38.812 38.812 39.767 -0.955 19766 98 1 . 1 1 19 19 ASN H H 19 8.779 8.779 8.510 0.269 19766 99 1 . 1 1 20 20 ARG N N 20 128.724 128.724 121.675 7.049 19766 100 1 . 1 1 20 20 ARG HA H 20 3.853 3.853 4.009 -0.156 19766 101 1 . 1 1 20 20 ARG C C 20 175.612 175.612 176.685 -1.073 19766 102 1 . 1 1 20 20 ARG CA C 20 58.774 58.774 58.623 0.151 19766 103 1 . 1 1 20 20 ARG CB C 20 29.684 29.684 30.102 -0.418 19766 104 1 . 1 1 20 20 ARG H H 20 8.954 8.954 8.747 0.207 19766 105 1 . 1 1 21 21 GLU N N 21 117.609 117.609 115.707 1.902 19766 106 1 . 1 1 21 21 GLU HA H 21 4.273 4.273 4.198 0.075 19766 107 1 . 1 1 21 21 GLU C C 21 177.285 177.285 176.439 0.846 19766 108 1 . 1 1 21 21 GLU CA C 21 56.782 56.782 56.374 0.408 19766 109 1 . 1 1 21 21 GLU CB C 21 30.498 30.498 28.985 1.514 19766 110 1 . 1 1 21 21 GLU H H 21 9.092 9.092 8.228 0.864 19766 111 1 . 1 1 22 22 LEU N N 22 116.169 116.169 122.827 -6.658 19766 112 1 . 1 1 22 22 LEU HA H 22 4.556 4.556 4.417 0.139 19766 113 1 . 1 1 22 22 LEU C C 22 178.328 178.328 176.414 1.914 19766 114 1 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.819 0.837 19766 115 1 . 1 1 22 22 LEU CB C 22 42.226 42.226 41.632 0.594 19766 116 1 . 1 1 22 22 LEU H H 22 7.208 7.208 7.458 -0.250 19766 117 1 . 1 1 23 23 THR N N 23 113.733 113.733 117.363 -3.630 19766 118 1 . 1 1 23 23 THR HA H 23 4.349 4.349 4.655 -0.306 19766 119 1 . 1 1 23 23 THR C C 23 175.225 175.225 175.357 -0.132 19766 120 1 . 1 1 23 23 THR CA C 23 59.960 59.960 59.466 0.494 19766 121 1 . 1 1 23 23 THR CB C 23 72.172 72.172 71.223 0.949 19766 122 1 . 1 1 23 23 THR H H 23 8.732 8.732 8.378 0.354 19766 123 1 . 1 1 24 24 GLU N N 24 119.838 119.838 122.492 -2.654 19766 124 1 . 1 1 24 24 GLU HA H 24 3.657 3.657 4.008 -0.351 19766 125 1 . 1 1 24 24 GLU C C 24 178.983 178.983 178.795 0.188 19766 126 1 . 1 1 24 24 GLU CA C 24 63.571 63.571 60.654 2.917 19766 127 1 . 1 1 24 24 GLU CB C 24 27.346 27.346 29.220 -1.874 19766 128 1 . 1 1 24 24 GLU H H 24 9.761 9.761 8.978 0.783 19766 129 1 . 1 1 25 25 GLY N N 25 104.462 104.462 106.184 -1.722 19766 130 1 . 1 1 25 25 GLY C C 25 175.139 175.139 175.707 -0.568 19766 131 1 . 1 1 25 25 GLY CA C 25 47.605 47.605 46.751 0.853 19766 132 1 . 1 1 25 25 GLY H H 25 8.486 8.486 8.363 0.123 19766 133 1 . 1 1 26 26 ASP N N 26 123.296 123.296 123.009 0.287 19766 134 1 . 1 1 26 26 ASP HA H 26 4.570 4.570 4.502 0.068 19766 135 1 . 1 1 26 26 ASP C C 26 178.135 178.135 178.357 -0.222 19766 136 1 . 1 1 26 26 ASP CA C 26 57.812 57.812 57.128 0.684 19766 137 1 . 1 1 26 26 ASP CB C 26 41.885 41.885 41.008 0.877 19766 138 1 . 1 1 26 26 ASP H H 26 7.960 7.960 7.673 0.287 19766 139 1 . 1 1 27 27 ILE N N 27 118.853 118.853 120.837 -1.984 19766 140 1 . 1 1 27 27 ILE HA H 27 3.607 3.607 3.757 -0.150 19766 141 1 . 1 1 27 27 ILE C C 27 178.424 178.424 178.137 0.287 19766 142 1 . 1 1 27 27 ILE CA C 27 65.741 65.741 65.115 0.626 19766 143 1 . 1 1 27 27 ILE CB C 27 37.712 37.712 37.842 -0.130 19766 144 1 . 1 1 27 27 ILE H H 27 8.159 8.159 7.698 0.461 19766 145 1 . 1 1 28 28 LEU N N 28 118.549 118.549 119.988 -1.439 19766 146 1 . 1 1 28 28 LEU HA H 28 3.904 3.904 3.941 -0.037 19766 147 1 . 1 1 28 28 LEU C C 28 180.057 180.057 179.454 0.603 19766 148 1 . 1 1 28 28 LEU CA C 28 58.531 58.531 58.396 0.135 19766 149 1 . 1 1 28 28 LEU CB C 28 41.945 41.945 41.104 0.841 19766 150 1 . 1 1 28 28 LEU H H 28 8.414 8.414 8.412 0.002 19766 151 1 . 1 1 29 29 THR N N 29 122.156 122.156 114.962 7.194 19766 152 1 . 1 1 29 29 THR HA H 29 4.032 4.032 3.989 0.043 19766 153 1 . 1 1 29 29 THR C C 29 175.113 175.113 176.156 -1.043 19766 154 1 . 1 1 29 29 THR CA C 29 66.754 66.754 66.318 0.436 19766 155 1 . 1 1 29 29 THR CB C 29 68.490 68.490 68.776 -0.286 19766 156 1 . 1 1 29 29 THR H H 29 8.715 8.715 7.897 0.818 19766 157 1 . 1 1 30 30 VAL N N 30 116.487 116.487 118.064 -1.577 19766 158 1 . 1 1 30 30 VAL HA H 30 3.831 3.831 3.906 -0.075 19766 159 1 . 1 1 30 30 VAL C C 30 179.968 179.968 177.759 2.209 19766 160 1 . 1 1 30 30 VAL CA C 30 65.515 65.515 65.259 0.256 19766 161 1 . 1 1 30 30 VAL CB C 30 33.044 33.044 31.687 1.357 19766 162 1 . 1 1 30 30 VAL H H 30 7.713 7.713 7.771 -0.058 19766 163 1 . 1 1 31 31 PHE N N 31 113.658 113.658 119.643 -5.985 19766 164 1 . 1 1 31 31 PHE HA H 31 3.867 3.867 4.588 -0.721 19766 165 1 . 1 1 31 31 PHE C C 31 179.577 179.577 178.014 1.563 19766 166 1 . 1 1 31 31 PHE CA C 31 62.403 62.403 60.324 2.079 19766 167 1 . 1 1 31 31 PHE CB C 31 37.313 37.313 38.501 -1.188 19766 168 1 . 1 1 31 31 PHE H H 31 8.876 8.876 8.938 -0.062 19766 169 1 . 1 1 32 32 SER N N 32 118.635 118.635 115.332 3.303 19766 170 1 . 1 1 32 32 SER HA H 32 5.381 5.381 4.623 0.758 19766 171 1 . 1 1 32 32 SER C C 32 172.662 172.662 176.043 -3.381 19766 172 1 . 1 1 32 32 SER CA C 32 61.338 61.338 60.277 1.061 19766 173 1 . 1 1 32 32 SER CB C 32 63.875 63.875 62.755 1.119 19766 174 1 . 1 1 32 32 SER H H 32 8.106 8.106 8.326 -0.220 19766 175 1 . 1 1 33 33 GLU N N 33 121.234 121.234 121.874 -0.640 19766 176 1 . 1 1 33 33 GLU HA H 33 2.157 2.157 4.026 -1.869 19766 177 1 . 1 1 33 33 GLU C C 33 174.223 174.223 177.187 -2.964 19766 178 1 . 1 1 33 33 GLU CA C 33 59.640 59.640 58.299 1.341 19766 179 1 . 1 1 33 33 GLU CB C 33 27.831 27.831 29.543 -1.712 19766 180 1 . 1 1 33 33 GLU H H 33 6.964 6.964 7.593 -0.629 19766 181 1 . 1 1 34 34 TYR N N 34 107.930 107.930 116.436 -8.506 19766 182 1 . 1 1 34 34 TYR HA H 34 4.153 4.153 4.675 -0.521 19766 183 1 . 1 1 34 34 TYR C C 34 173.208 173.208 175.009 -1.801 19766 184 1 . 1 1 34 34 TYR CA C 34 57.329 57.329 57.099 0.230 19766 185 1 . 1 1 34 34 TYR CB C 34 38.878 38.878 38.952 -0.074 19766 186 1 . 1 1 34 34 TYR H H 34 6.229 6.229 7.607 -1.378 19766 187 1 . 1 1 35 35 GLY N N 35 103.542 103.542 105.871 -2.329 19766 188 1 . 1 1 35 35 GLY C C 35 170.379 170.379 172.083 -1.704 19766 189 1 . 1 1 35 35 GLY CA C 35 44.679 44.679 44.882 -0.203 19766 190 1 . 1 1 35 35 GLY H H 35 7.257 7.257 7.295 -0.038 19766 191 1 . 1 1 36 36 VAL N N 36 120.446 120.446 120.812 -0.366 19766 192 1 . 1 1 36 36 VAL HA H 36 4.504 4.504 4.457 0.047 19766 193 1 . 1 1 36 36 VAL CA C 36 59.715 59.715 59.174 0.541 19766 194 1 . 1 1 36 36 VAL CB C 36 34.031 34.031 33.364 0.667 19766 195 1 . 1 1 36 36 VAL H H 36 8.438 8.438 8.483 -0.045 19766 196 1 . 1 1 37 37 PRO HA H 37 4.703 4.703 4.282 0.421 19766 197 1 . 1 1 37 37 PRO CA C 37 62.374 62.374 62.760 -0.386 19766 198 1 . 1 1 37 37 PRO CB C 37 32.071 32.071 31.667 0.404 19766 199 1 . 1 1 38 38 VAL N N 38 113.929 113.929 118.869 -4.940 19766 200 1 . 1 1 38 38 VAL HA H 38 4.482 4.482 4.075 0.407 19766 201 1 . 1 1 38 38 VAL CA C 38 60.454 60.454 62.889 -2.435 19766 202 1 . 1 1 38 38 VAL CB C 38 32.504 32.504 32.720 -0.216 19766 203 1 . 1 1 38 38 VAL H H 38 8.966 8.966 8.322 0.644 19766 204 1 . 1 1 39 39 ASP N N 39 118.213 118.213 118.314 -0.101 19766 205 1 . 1 1 39 39 ASP HA H 39 4.675 4.675 4.897 -0.222 19766 206 1 . 1 1 39 39 ASP C C 39 174.637 174.637 173.755 0.882 19766 207 1 . 1 1 39 39 ASP CA C 39 54.688 54.688 53.679 1.009 19766 208 1 . 1 1 39 39 ASP CB C 39 43.807 43.807 44.403 -0.596 19766 209 1 . 1 1 39 39 ASP H H 39 7.500 7.500 7.780 -0.280 19766 210 1 . 1 1 40 40 VAL N N 40 121.576 121.576 123.238 -1.662 19766 211 1 . 1 1 40 40 VAL HA H 40 4.991 4.991 4.989 0.002 19766 212 1 . 1 1 40 40 VAL C C 40 170.562 170.562 173.644 -3.082 19766 213 1 . 1 1 40 40 VAL CA C 40 60.358 60.358 59.972 0.386 19766 214 1 . 1 1 40 40 VAL CB C 40 34.219 34.219 34.744 -0.525 19766 215 1 . 1 1 40 40 VAL H H 40 7.657 7.657 8.512 -0.855 19766 216 1 . 1 1 41 41 ILE N N 41 125.384 125.384 123.735 1.649 19766 217 1 . 1 1 41 41 ILE HA H 41 4.818 4.818 4.691 0.127 19766 218 1 . 1 1 41 41 ILE C C 41 175.425 175.425 173.142 2.283 19766 219 1 . 1 1 41 41 ILE CA C 41 61.490 61.490 59.161 2.329 19766 220 1 . 1 1 41 41 ILE CB C 41 42.556 42.556 40.957 1.599 19766 221 1 . 1 1 41 41 ILE H H 41 8.901 8.901 9.035 -0.134 19766 222 1 . 1 1 42 42 LEU N N 42 128.888 128.888 127.082 1.806 19766 223 1 . 1 1 42 42 LEU HA H 42 4.461 4.461 4.712 -0.251 19766 224 1 . 1 1 42 42 LEU C C 42 174.934 174.934 175.684 -0.750 19766 225 1 . 1 1 42 42 LEU CA C 42 53.377 53.377 53.231 0.146 19766 226 1 . 1 1 42 42 LEU CB C 42 43.539 43.539 43.628 -0.089 19766 227 1 . 1 1 42 42 LEU H H 42 8.344 8.344 8.763 -0.419 19766 228 1 . 1 1 43 43 SER N N 43 122.818 122.818 121.754 1.064 19766 229 1 . 1 1 43 43 SER HA H 43 3.876 3.876 4.497 -0.621 19766 230 1 . 1 1 43 43 SER C C 43 173.869 173.869 173.246 0.623 19766 231 1 . 1 1 43 43 SER CA C 43 59.688 59.688 58.187 1.501 19766 232 1 . 1 1 43 43 SER CB C 43 62.673 62.673 62.827 -0.154 19766 233 1 . 1 1 43 43 SER H H 43 8.362 8.362 8.880 -0.518 19766 234 1 . 1 1 44 44 ARG N N 44 128.045 128.045 125.584 2.461 19766 235 1 . 1 1 44 44 ARG HA H 44 4.829 4.829 5.013 -0.185 19766 236 1 . 1 1 44 44 ARG C C 44 175.031 175.031 175.126 -0.095 19766 237 1 . 1 1 44 44 ARG CA C 44 54.062 54.062 53.772 0.291 19766 238 1 . 1 1 44 44 ARG CB C 44 34.298 34.298 33.274 1.024 19766 239 1 . 1 1 44 44 ARG H H 44 8.079 8.079 7.683 0.396 19766 240 1 . 1 1 45 45 ASP N N 45 123.491 123.491 121.634 1.857 19766 241 1 . 1 1 45 45 ASP HA H 45 4.237 4.237 4.477 -0.240 19766 242 1 . 1 1 45 45 ASP C C 45 177.487 177.487 176.951 0.536 19766 243 1 . 1 1 45 45 ASP CA C 45 54.917 54.917 54.494 0.423 19766 244 1 . 1 1 45 45 ASP CB C 45 43.611 43.611 42.856 0.755 19766 245 1 . 1 1 45 45 ASP H H 45 8.663 8.663 8.520 0.144 19766 246 1 . 1 1 46 46 GLU N N 46 125.446 125.446 125.193 0.253 19766 247 1 . 1 1 46 46 GLU HA H 46 3.907 3.907 4.044 -0.137 19766 248 1 . 1 1 46 46 GLU C C 46 175.655 175.655 176.747 -1.092 19766 249 1 . 1 1 46 46 GLU CA C 46 58.873 58.873 58.319 0.554 19766 250 1 . 1 1 46 46 GLU CB C 46 29.654 29.654 29.836 -0.182 19766 251 1 . 1 1 46 46 GLU H H 46 9.007 9.007 8.766 0.241 19766 252 1 . 1 1 47 47 ASN N N 47 115.343 115.343 116.599 -1.256 19766 253 1 . 1 1 47 47 ASN HA H 47 4.884 4.884 4.702 0.182 19766 254 1 . 1 1 47 47 ASN C C 47 176.665 176.665 176.909 -0.244 19766 255 1 . 1 1 47 47 ASN CA C 47 54.939 54.939 54.875 0.064 19766 256 1 . 1 1 47 47 ASN CB C 47 40.230 40.230 39.811 0.419 19766 257 1 . 1 1 47 47 ASN H H 47 8.947 8.947 8.555 0.392 19766 258 1 . 1 1 48 48 THR N N 48 107.604 107.604 112.721 -5.117 19766 259 1 . 1 1 48 48 THR HA H 48 4.468 4.468 4.472 -0.004 19766 260 1 . 1 1 48 48 THR C C 48 176.465 176.465 175.501 0.964 19766 261 1 . 1 1 48 48 THR CA C 48 61.555 61.555 62.325 -0.770 19766 262 1 . 1 1 48 48 THR CB C 48 71.342 71.342 70.179 1.163 19766 263 1 . 1 1 48 48 THR H H 48 8.450 8.450 8.548 -0.098 19766 264 1 . 1 1 49 49 GLY N N 49 111.809 111.809 110.216 1.593 19766 265 1 . 1 1 49 49 GLY C C 49 173.193 173.193 173.251 -0.058 19766 266 1 . 1 1 49 49 GLY CA C 49 45.723 45.723 45.582 0.141 19766 267 1 . 1 1 49 49 GLY H H 49 8.632 8.632 7.769 0.863 19766 268 1 . 1 1 50 50 GLU N N 50 120.089 120.089 118.095 1.994 19766 269 1 . 1 1 50 50 GLU HA H 50 4.133 4.133 4.337 -0.204 19766 270 1 . 1 1 50 50 GLU C C 50 176.586 176.586 176.173 0.413 19766 271 1 . 1 1 50 50 GLU CA C 50 56.532 56.532 54.898 1.634 19766 272 1 . 1 1 50 50 GLU CB C 50 31.084 31.084 30.346 0.738 19766 273 1 . 1 1 50 50 GLU H H 50 7.825 7.825 7.979 -0.154 19766 274 1 . 1 1 51 51 SER N N 51 115.686 115.686 119.505 -3.819 19766 275 1 . 1 1 51 51 SER HA H 51 4.273 4.273 4.302 -0.029 19766 276 1 . 1 1 51 51 SER C C 51 176.516 176.516 175.111 1.405 19766 277 1 . 1 1 51 51 SER CA C 51 58.415 58.415 59.102 -0.687 19766 278 1 . 1 1 51 51 SER CB C 51 64.668 64.668 63.328 1.340 19766 279 1 . 1 1 51 51 SER H H 51 8.871 8.871 8.802 0.069 19766 280 1 . 1 1 52 52 GLN N N 52 123.284 123.284 125.032 -1.748 19766 281 1 . 1 1 52 52 GLN HA H 52 4.491 4.491 4.356 0.135 19766 282 1 . 1 1 52 52 GLN C C 52 177.471 177.471 176.745 0.726 19766 283 1 . 1 1 52 52 GLN CA C 52 55.147 55.147 56.014 -0.867 19766 284 1 . 1 1 52 52 GLN CB C 52 29.880 29.880 29.505 0.375 19766 285 1 . 1 1 52 52 GLN H H 52 9.103 9.103 8.772 0.331 19766 286 1 . 1 1 53 53 GLY N N 53 105.865 105.865 106.881 -1.016 19766 287 1 . 1 1 53 53 GLY C C 53 172.010 172.010 172.867 -0.857 19766 288 1 . 1 1 53 53 GLY CA C 53 46.645 46.645 45.017 1.628 19766 289 1 . 1 1 53 53 GLY H H 53 8.888 8.888 8.027 0.861 19766 290 1 . 1 1 54 54 PHE N N 54 112.097 112.097 118.473 -6.376 19766 291 1 . 1 1 54 54 PHE HA H 54 5.346 5.346 5.285 0.061 19766 292 1 . 1 1 54 54 PHE C C 54 171.548 171.548 173.300 -1.752 19766 293 1 . 1 1 54 54 PHE CA C 54 55.671 55.671 55.931 -0.260 19766 294 1 . 1 1 54 54 PHE CB C 54 40.680 40.680 42.828 -2.148 19766 295 1 . 1 1 54 54 PHE H H 54 6.879 6.879 7.213 -0.334 19766 296 1 . 1 1 55 55 ALA N N 55 122.332 122.332 121.461 0.871 19766 297 1 . 1 1 55 55 ALA HA H 55 5.123 5.123 4.935 0.188 19766 298 1 . 1 1 55 55 ALA C C 55 173.074 173.074 174.534 -1.460 19766 299 1 . 1 1 55 55 ALA CA C 55 49.529 49.529 50.785 -1.256 19766 300 1 . 1 1 55 55 ALA CB C 55 25.739 25.739 22.721 3.018 19766 301 1 . 1 1 55 55 ALA H H 55 9.051 9.051 8.866 0.185 19766 302 1 . 1 1 56 56 TYR N N 56 115.022 115.022 116.501 -1.479 19766 303 1 . 1 1 56 56 TYR HA H 56 5.674 5.674 5.834 -0.160 19766 304 1 . 1 1 56 56 TYR C C 56 175.292 175.292 174.295 0.997 19766 305 1 . 1 1 56 56 TYR CA C 56 55.581 55.581 56.545 -0.964 19766 306 1 . 1 1 56 56 TYR CB C 56 42.347 42.347 42.850 -0.503 19766 307 1 . 1 1 56 56 TYR H H 56 9.007 9.007 9.034 -0.027 19766 308 1 . 1 1 57 57 LEU N N 57 122.695 122.695 121.462 1.233 19766 309 1 . 1 1 57 57 LEU HA H 57 4.759 4.759 5.318 -0.559 19766 310 1 . 1 1 57 57 LEU C C 57 172.173 172.173 174.162 -1.989 19766 311 1 . 1 1 57 57 LEU CA C 57 54.816 54.816 53.795 1.021 19766 312 1 . 1 1 57 57 LEU CB C 57 46.906 46.906 46.479 0.427 19766 313 1 . 1 1 57 57 LEU H H 57 8.648 8.648 9.043 -0.395 19766 314 1 . 1 1 58 58 LYS N N 58 125.954 125.954 120.387 5.567 19766 315 1 . 1 1 58 58 LYS HA H 58 4.465 4.465 4.897 -0.432 19766 316 1 . 1 1 58 58 LYS C C 58 174.900 174.900 174.608 0.292 19766 317 1 . 1 1 58 58 LYS CA C 58 54.623 54.623 54.856 -0.233 19766 318 1 . 1 1 58 58 LYS CB C 58 36.546 36.546 35.762 0.784 19766 319 1 . 1 1 58 58 LYS H H 58 7.948 7.948 8.803 -0.855 19766 320 1 . 1 1 59 59 TYR N N 59 126.396 126.396 124.357 2.039 19766 321 1 . 1 1 59 59 TYR HA H 59 5.100 5.100 4.677 0.423 19766 322 1 . 1 1 59 59 TYR CA C 59 57.974 57.974 57.903 0.071 19766 323 1 . 1 1 59 59 TYR CB C 59 42.498 42.498 40.283 2.215 19766 324 1 . 1 1 59 59 TYR H H 59 9.007 9.007 8.316 0.691 19766 325 1 . 1 1 60 60 GLU N N 60 120.848 120.848 121.711 -0.863 19766 326 1 . 1 1 60 60 GLU HA H 60 3.873 3.873 4.090 -0.217 19766 327 1 . 1 1 60 60 GLU C C 60 175.081 175.081 175.776 -0.695 19766 328 1 . 1 1 60 60 GLU CA C 60 59.053 59.053 57.979 1.074 19766 329 1 . 1 1 60 60 GLU CB C 60 30.867 30.867 29.823 1.044 19766 330 1 . 1 1 60 60 GLU H H 60 8.973 8.973 8.527 0.446 19766 331 1 . 1 1 61 61 ASP N N 61 117.604 117.604 118.471 -0.866 19766 332 1 . 1 1 61 61 ASP HA H 61 4.866 4.866 4.755 0.111 19766 333 1 . 1 1 61 61 ASP C C 61 176.598 176.598 176.245 0.353 19766 334 1 . 1 1 61 61 ASP CA C 61 51.112 51.112 53.531 -2.419 19766 335 1 . 1 1 61 61 ASP CB C 61 43.424 43.424 42.530 0.894 19766 336 1 . 1 1 61 61 ASP H H 61 8.017 8.017 7.952 0.065 19766 337 1 . 1 1 62 62 GLN N N 62 126.427 126.427 125.064 1.363 19766 338 1 . 1 1 62 62 GLN HA H 62 4.270 4.270 4.183 0.087 19766 339 1 . 1 1 62 62 GLN C C 62 178.514 178.514 177.511 1.002 19766 340 1 . 1 1 62 62 GLN CA C 62 58.505 58.505 58.605 -0.100 19766 341 1 . 1 1 62 62 GLN CB C 62 27.973 27.973 28.955 -0.982 19766 342 1 . 1 1 62 62 GLN H H 62 9.007 9.007 8.892 0.115 19766 343 1 . 1 1 63 63 ARG N N 63 121.369 121.369 119.327 2.042 19766 344 1 . 1 1 63 63 ARG HA H 63 3.720 3.720 4.122 -0.402 19766 345 1 . 1 1 63 63 ARG C C 63 178.566 178.566 178.496 0.070 19766 346 1 . 1 1 63 63 ARG CA C 63 59.082 59.082 59.066 0.017 19766 347 1 . 1 1 63 63 ARG H H 63 9.013 9.013 8.752 0.261 19766 348 1 . 1 1 64 64 SER N N 64 115.216 115.216 114.565 0.651 19766 349 1 . 1 1 64 64 SER HA H 64 3.746 3.746 4.232 -0.486 19766 350 1 . 1 1 64 64 SER C C 64 175.695 175.695 175.958 -0.263 19766 351 1 . 1 1 64 64 SER CA C 64 63.651 63.651 61.119 2.532 19766 352 1 . 1 1 64 64 SER H H 64 8.207 8.207 8.039 0.168 19766 353 1 . 1 1 65 65 THR N N 65 111.402 111.402 120.102 -8.700 19766 354 1 . 1 1 65 65 THR HA H 65 3.785 3.785 4.087 -0.302 19766 355 1 . 1 1 65 65 THR C C 65 175.556 175.556 176.380 -0.824 19766 356 1 . 1 1 65 65 THR CA C 65 66.178 66.178 67.216 -1.038 19766 357 1 . 1 1 65 65 THR CB C 65 68.414 68.414 68.754 -0.340 19766 358 1 . 1 1 65 65 THR H H 65 7.640 7.640 7.447 0.193 19766 359 1 . 1 1 66 66 ILE N N 66 122.905 122.905 121.746 1.159 19766 360 1 . 1 1 66 66 ILE HA H 66 3.702 3.702 3.904 -0.202 19766 361 1 . 1 1 66 66 ILE C C 66 177.292 177.292 177.923 -0.631 19766 362 1 . 1 1 66 66 ILE CA C 66 64.254 64.254 65.188 -0.934 19766 363 1 . 1 1 66 66 ILE CB C 66 38.399 38.399 37.748 0.651 19766 364 1 . 1 1 66 66 ILE H H 66 6.702 6.702 8.090 -1.388 19766 365 1 . 1 1 67 67 LEU N N 67 114.425 114.425 120.747 -6.322 19766 366 1 . 1 1 67 67 LEU HA H 67 3.730 3.730 3.843 -0.113 19766 367 1 . 1 1 67 67 LEU C C 67 179.641 179.641 178.211 1.430 19766 368 1 . 1 1 67 67 LEU CA C 67 57.587 57.587 57.741 -0.154 19766 369 1 . 1 1 67 67 LEU CB C 67 41.682 41.682 41.220 0.462 19766 370 1 . 1 1 67 67 LEU H H 67 6.975 6.975 7.740 -0.765 19766 371 1 . 1 1 68 68 ALA N N 68 120.639 120.639 121.237 -0.598 19766 372 1 . 1 1 68 68 ALA HA H 68 3.435 3.435 3.539 -0.104 19766 373 1 . 1 1 68 68 ALA C C 68 179.087 179.087 179.681 -0.594 19766 374 1 . 1 1 68 68 ALA CA C 68 55.736 55.736 54.874 0.862 19766 375 1 . 1 1 68 68 ALA CB C 68 19.013 19.013 18.190 0.823 19766 376 1 . 1 1 68 68 ALA H H 68 8.225 8.225 7.752 0.473 19766 377 1 . 1 1 69 69 VAL N N 69 118.866 118.866 117.438 1.428 19766 378 1 . 1 1 69 69 VAL HA H 69 3.239 3.239 3.646 -0.407 19766 379 1 . 1 1 69 69 VAL C C 69 178.798 178.798 177.573 1.225 19766 380 1 . 1 1 69 69 VAL CA C 69 67.025 67.025 66.446 0.579 19766 381 1 . 1 1 69 69 VAL CB C 69 31.837 31.837 31.581 0.256 19766 382 1 . 1 1 69 69 VAL H H 69 8.162 8.162 7.669 0.493 19766 383 1 . 1 1 70 70 ASP N N 70 117.230 117.230 117.009 0.221 19766 384 1 . 1 1 70 70 ASP HA H 70 4.054 4.054 4.526 -0.471 19766 385 1 . 1 1 70 70 ASP C C 70 178.297 178.297 177.258 1.039 19766 386 1 . 1 1 70 70 ASP CA C 70 57.269 57.269 56.231 1.038 19766 387 1 . 1 1 70 70 ASP CB C 70 39.622 39.622 41.471 -1.849 19766 388 1 . 1 1 70 70 ASP H H 70 8.262 8.262 7.921 0.341 19766 389 1 . 1 1 71 71 ASN N N 71 111.214 111.214 116.709 -5.495 19766 390 1 . 1 1 71 71 ASN HA H 71 4.863 4.863 4.640 0.223 19766 391 1 . 1 1 71 71 ASN C C 71 176.614 176.614 176.608 0.006 19766 392 1 . 1 1 71 71 ASN CA C 71 55.601 55.601 54.712 0.889 19766 393 1 . 1 1 71 71 ASN CB C 71 41.600 41.600 39.586 2.014 19766 394 1 . 1 1 71 71 ASN H H 71 7.541 7.541 7.956 -0.415 19766 395 1 . 1 1 72 72 LEU N N 72 116.127 116.127 118.341 -2.214 19766 396 1 . 1 1 72 72 LEU HA H 72 4.649 4.649 4.244 0.405 19766 397 1 . 1 1 72 72 LEU C C 72 177.465 177.465 176.134 1.331 19766 398 1 . 1 1 72 72 LEU CA C 72 54.351 54.351 54.998 -0.647 19766 399 1 . 1 1 72 72 LEU CB C 72 42.548 42.548 42.168 0.380 19766 400 1 . 1 1 72 72 LEU H H 72 8.323 8.323 7.633 0.690 19766 401 1 . 1 1 73 73 ASN N N 73 118.792 118.792 117.619 1.173 19766 402 1 . 1 1 73 73 ASN HA H 73 4.411 4.411 4.623 -0.212 19766 403 1 . 1 1 73 73 ASN C C 73 177.085 177.085 176.404 0.681 19766 404 1 . 1 1 73 73 ASN CA C 73 56.554 56.554 54.759 1.795 19766 405 1 . 1 1 73 73 ASN CB C 73 39.458 39.458 38.401 1.057 19766 406 1 . 1 1 73 73 ASN H H 73 6.965 6.965 7.542 -0.577 19766 407 1 . 1 1 74 74 GLY N N 74 115.779 115.779 114.032 1.747 19766 408 1 . 1 1 74 74 GLY C C 74 172.848 172.848 173.887 -1.039 19766 409 1 . 1 1 74 74 GLY CA C 74 45.758 45.758 44.939 0.819 19766 410 1 . 1 1 74 74 GLY H H 74 9.389 9.389 8.718 0.671 19766 411 1 . 1 1 75 75 PHE N N 75 123.194 123.194 122.916 0.278 19766 412 1 . 1 1 75 75 PHE HA H 75 4.287 4.287 4.432 -0.145 19766 413 1 . 1 1 75 75 PHE C C 75 174.778 174.778 174.424 0.354 19766 414 1 . 1 1 75 75 PHE CA C 75 58.873 58.873 58.079 0.794 19766 415 1 . 1 1 75 75 PHE CB C 75 41.602 41.602 40.373 1.229 19766 416 1 . 1 1 75 75 PHE H H 75 8.133 8.133 7.996 0.137 19766 417 1 . 1 1 76 76 LYS N N 76 127.364 127.364 128.379 -1.015 19766 418 1 . 1 1 76 76 LYS HA H 76 4.671 4.671 4.571 0.100 19766 419 1 . 1 1 76 76 LYS C C 76 175.286 175.286 175.609 -0.323 19766 420 1 . 1 1 76 76 LYS CA C 76 56.252 56.252 55.689 0.563 19766 421 1 . 1 1 76 76 LYS CB C 76 33.201 33.201 32.371 0.830 19766 422 1 . 1 1 76 76 LYS H H 76 7.596 7.596 7.970 -0.374 19766 423 1 . 1 1 77 77 ILE N N 77 120.094 120.094 127.775 -7.681 19766 424 1 . 1 1 77 77 ILE HA H 77 4.358 4.358 4.229 0.129 19766 425 1 . 1 1 77 77 ILE C C 77 177.519 177.519 175.763 1.756 19766 426 1 . 1 1 77 77 ILE CA C 77 60.503 60.503 60.933 -0.430 19766 427 1 . 1 1 77 77 ILE CB C 77 40.636 40.636 39.625 1.011 19766 428 1 . 1 1 77 77 ILE H H 77 8.004 8.004 9.056 -1.052 19766 429 1 . 1 1 78 78 GLY N N 78 119.932 119.932 116.335 3.597 19766 430 1 . 1 1 78 78 GLY C C 78 175.944 175.944 175.207 0.737 19766 431 1 . 1 1 78 78 GLY CA C 78 47.219 47.219 45.067 2.152 19766 432 1 . 1 1 78 78 GLY H H 78 10.183 10.183 9.005 1.178 19766 433 1 . 1 1 79 79 GLY N N 79 104.505 104.505 104.681 -0.176 19766 434 1 . 1 1 79 79 GLY C C 79 173.347 173.347 173.906 -0.559 19766 435 1 . 1 1 79 79 GLY CA C 79 45.092 45.092 44.925 0.167 19766 436 1 . 1 1 79 79 GLY H H 79 8.892 8.892 8.430 0.462 19766 437 1 . 1 1 80 80 ARG N N 80 119.144 119.144 119.766 -0.622 19766 438 1 . 1 1 80 80 ARG HA H 80 4.666 4.666 4.650 0.016 19766 439 1 . 1 1 80 80 ARG C C 80 174.693 174.693 173.943 0.750 19766 440 1 . 1 1 80 80 ARG CA C 80 54.678 54.678 54.189 0.489 19766 441 1 . 1 1 80 80 ARG CB C 80 33.407 33.407 32.649 0.758 19766 442 1 . 1 1 80 80 ARG H H 80 7.281 7.281 7.485 -0.204 19766 443 1 . 1 1 81 81 ALA N N 81 126.229 126.229 125.297 0.932 19766 444 1 . 1 1 81 81 ALA HA H 81 4.201 4.201 5.173 -0.972 19766 445 1 . 1 1 81 81 ALA C C 81 176.967 176.967 177.275 -0.308 19766 446 1 . 1 1 81 81 ALA CA C 81 51.129 51.129 50.523 0.606 19766 447 1 . 1 1 81 81 ALA CB C 81 19.200 19.200 20.202 -1.002 19766 448 1 . 1 1 81 81 ALA H H 81 8.673 8.673 8.434 0.239 19766 449 1 . 1 1 82 82 LEU N N 82 125.471 125.471 120.513 4.958 19766 450 1 . 1 1 82 82 LEU HA H 82 4.424 4.424 4.821 -0.397 19766 451 1 . 1 1 82 82 LEU C C 82 177.436 177.436 176.090 1.346 19766 452 1 . 1 1 82 82 LEU CA C 82 56.150 56.150 54.390 1.760 19766 453 1 . 1 1 82 82 LEU CB C 82 43.273 43.273 42.640 0.633 19766 454 1 . 1 1 82 82 LEU H H 82 8.702 8.702 8.276 0.426 19766 455 1 . 1 1 83 83 LYS N N 83 123.609 123.609 122.485 1.124 19766 456 1 . 1 1 83 83 LYS HA H 83 5.005 5.005 5.196 -0.191 19766 457 1 . 1 1 83 83 LYS C C 83 174.759 174.759 175.221 -0.462 19766 458 1 . 1 1 83 83 LYS CA C 83 54.785 54.785 54.173 0.612 19766 459 1 . 1 1 83 83 LYS CB C 83 34.446 34.446 34.594 -0.149 19766 460 1 . 1 1 83 83 LYS H H 83 7.853 7.853 8.713 -0.861 19766 461 1 . 1 1 84 84 ILE N N 84 125.547 125.547 127.772 -2.225 19766 462 1 . 1 1 84 84 ILE HA H 84 5.699 5.699 5.548 0.151 19766 463 1 . 1 1 84 84 ILE C C 84 174.989 174.989 175.519 -0.530 19766 464 1 . 1 1 84 84 ILE CA C 84 58.419 58.419 60.010 -1.591 19766 465 1 . 1 1 84 84 ILE CB C 84 40.367 40.367 40.993 -0.626 19766 466 1 . 1 1 84 84 ILE H H 84 8.719 8.719 8.678 0.041 19766 467 1 . 1 1 85 85 ASP N N 85 124.650 124.650 124.377 0.273 19766 468 1 . 1 1 85 85 ASP HA H 85 5.004 5.004 5.030 -0.026 19766 469 1 . 1 1 85 85 ASP C C 85 175.302 175.302 174.413 0.889 19766 470 1 . 1 1 85 85 ASP CA C 85 52.481 52.481 52.175 0.306 19766 471 1 . 1 1 85 85 ASP CB C 85 45.469 45.469 44.602 0.867 19766 472 1 . 1 1 85 85 ASP H H 85 8.826 8.826 8.928 -0.102 19766 473 1 . 1 1 86 86 HIS N N 86 121.936 121.936 119.512 2.424 19766 474 1 . 1 1 86 86 HIS HA H 86 4.703 4.703 5.223 -0.520 19766 475 1 . 1 1 86 86 HIS C C 86 175.216 175.216 175.078 0.138 19766 476 1 . 1 1 86 86 HIS CA C 86 57.944 57.944 56.620 1.324 19766 477 1 . 1 1 86 86 HIS CB C 86 31.480 31.480 31.243 0.237 19766 478 1 . 1 1 86 86 HIS H H 86 8.909 8.909 8.745 0.164 19766 479 1 . 1 1 87 87 THR N N 87 116.612 116.612 117.160 -0.548 19766 480 1 . 1 1 87 87 THR HA H 87 4.688 4.688 4.718 -0.030 19766 481 1 . 1 1 87 87 THR CA C 87 61.030 61.030 60.806 0.224 19766 482 1 . 1 1 87 87 THR CB C 87 69.903 69.903 71.214 -1.311 19766 483 1 . 1 1 87 87 THR H H 87 8.521 8.521 8.973 -0.452 19766 484 1 . 1 1 88 88 PHE N N 88 123.233 123.233 124.498 -1.265 19766 485 1 . 1 1 88 88 PHE HA H 88 5.294 5.294 4.878 0.416 19766 486 1 . 1 1 88 88 PHE C C 88 176.452 176.452 173.656 2.795 19766 487 1 . 1 1 88 88 PHE CA C 88 55.933 55.933 56.886 -0.953 19766 488 1 . 1 1 88 88 PHE CB C 88 41.113 41.113 41.141 -0.028 19766 489 1 . 1 1 88 88 PHE H H 88 8.145 8.145 8.448 -0.303 19766 490 1 . 1 1 89 89 TYR N N 89 122.872 122.872 124.596 -1.724 19766 491 1 . 1 1 89 89 TYR HA H 89 4.074 4.074 4.658 -0.584 19766 492 1 . 1 1 89 89 TYR C C 89 173.089 173.089 173.776 -0.687 19766 493 1 . 1 1 89 89 TYR CA C 89 57.529 57.529 55.962 1.567 19766 494 1 . 1 1 89 89 TYR CB C 89 39.808 39.808 39.745 0.062 19766 495 1 . 1 1 89 89 TYR H H 89 8.242 8.242 7.602 0.640 19766 496 1 . 1 1 90 90 ARG N N 90 128.867 128.867 123.468 5.399 19766 497 1 . 1 1 90 90 ARG HA H 90 4.429 4.429 4.125 0.304 19766 498 1 . 1 1 90 90 ARG CA C 90 51.568 51.568 52.906 -1.338 19766 499 1 . 1 1 90 90 ARG CB C 90 30.994 30.994 29.518 1.476 19766 500 1 . 1 1 90 90 ARG H H 90 7.018 7.018 8.389 -1.371 19766 501 1 . 1 1 91 91 PRO HA H 91 4.190 4.190 3.966 0.224 19766 502 1 . 1 1 91 91 PRO C C 91 176.284 176.284 176.269 0.015 19766 503 1 . 1 1 91 91 PRO CA C 91 62.489 62.489 62.396 0.092 19766 504 1 . 1 1 91 91 PRO CB C 91 33.047 33.047 31.625 1.422 19766 505 1 . 1 1 92 92 LYS N N 92 119.987 119.987 123.949 -3.962 19766 506 1 . 1 1 92 92 LYS HA H 92 4.682 4.682 4.283 0.399 19766 507 1 . 1 1 92 92 LYS CA C 92 54.687 54.687 56.086 -1.399 19766 508 1 . 1 1 92 92 LYS CB C 92 35.059 35.059 33.267 1.792 19766 509 1 . 1 1 92 92 LYS H H 92 8.672 8.672 8.343 0.329 19766 510 1 . 1 1 93 93 ARG HA H 93 4.174 4.174 4.152 0.022 19766 511 1 . 1 1 93 93 ARG C C 93 178.848 178.848 178.336 0.512 19766 512 1 . 1 1 93 93 ARG CA C 93 59.192 59.192 58.645 0.547 19766 513 1 . 1 1 93 93 ARG CB C 93 29.796 29.796 29.620 0.176 19766 514 1 . 1 1 94 94 SER N N 94 112.252 112.252 114.767 -2.515 19766 515 1 . 1 1 94 94 SER HA H 94 4.266 4.266 4.309 -0.043 19766 516 1 . 1 1 94 94 SER C C 94 175.827 175.827 175.165 0.662 19766 517 1 . 1 1 94 94 SER CA C 94 60.087 60.087 60.691 -0.604 19766 518 1 . 1 1 94 94 SER CB C 94 62.266 62.266 62.818 -0.552 19766 519 1 . 1 1 94 94 SER H H 94 8.353 8.353 8.416 -0.063 19766 520 1 . 1 1 95 95 LEU N N 95 122.261 122.261 120.119 2.142 19766 521 1 . 1 1 95 95 LEU HA H 95 4.665 4.665 4.653 0.012 19766 522 1 . 1 1 95 95 LEU C C 95 175.444 175.444 177.207 -1.763 19766 523 1 . 1 1 95 95 LEU CA C 95 54.104 54.104 53.696 0.408 19766 524 1 . 1 1 95 95 LEU CB C 95 41.912 41.912 41.493 0.418 19766 525 1 . 1 1 95 95 LEU H H 95 7.229 7.229 7.613 -0.384 19766 526 1 . 1 1 96 96 GLN N N 96 118.873 118.873 120.603 -1.730 19766 527 1 . 1 1 96 96 GLN HA H 96 4.093 4.093 4.101 -0.008 19766 528 1 . 1 1 96 96 GLN C C 96 177.668 177.668 177.502 0.166 19766 529 1 . 1 1 96 96 GLN CA C 96 60.710 60.710 59.102 1.608 19766 530 1 . 1 1 96 96 GLN CB C 96 28.981 28.981 28.313 0.668 19766 531 1 . 1 1 96 96 GLN H H 96 7.390 7.390 7.749 -0.359 19766 532 1 . 1 1 97 97 LYS N N 97 116.416 116.416 119.269 -2.853 19766 533 1 . 1 1 97 97 LYS HA H 97 4.117 4.117 4.104 0.013 19766 534 1 . 1 1 97 97 LYS C C 97 179.237 179.237 179.113 0.124 19766 535 1 . 1 1 97 97 LYS CA C 97 59.393 59.393 58.376 1.017 19766 536 1 . 1 1 97 97 LYS CB C 97 31.516 31.516 31.569 -0.053 19766 537 1 . 1 1 97 97 LYS H H 97 8.595 8.595 8.314 0.281 19766 538 1 . 1 1 98 98 TYR N N 98 123.922 123.922 121.848 2.074 19766 539 1 . 1 1 98 98 TYR HA H 98 4.137 4.137 4.141 -0.004 19766 540 1 . 1 1 98 98 TYR C C 98 177.309 177.309 177.602 -0.293 19766 541 1 . 1 1 98 98 TYR CA C 98 62.229 62.229 61.904 0.325 19766 542 1 . 1 1 98 98 TYR CB C 98 37.290 37.290 38.316 -1.026 19766 543 1 . 1 1 98 98 TYR H H 98 7.558 7.558 7.966 -0.408 19766 544 1 . 1 1 99 99 TYR N N 99 118.047 118.047 117.964 0.083 19766 545 1 . 1 1 99 99 TYR HA H 99 5.108 5.108 3.999 1.109 19766 546 1 . 1 1 99 99 TYR CA C 99 57.898 57.898 61.188 -3.290 19766 547 1 . 1 1 99 99 TYR CB C 99 37.222 37.222 38.047 -0.825 19766 548 1 . 1 1 99 99 TYR H H 99 8.624 8.624 7.742 0.882 19766 549 1 . 1 1 100 100 GLU N N 100 118.804 118.804 118.637 0.167 19766 550 1 . 1 1 100 100 GLU HA H 100 4.066 4.066 3.971 0.095 19766 551 1 . 1 1 100 100 GLU C C 100 178.595 178.595 178.436 0.159 19766 552 1 . 1 1 100 100 GLU CA C 100 59.485 59.485 59.310 0.175 19766 553 1 . 1 1 100 100 GLU CB C 100 29.795 29.795 29.089 0.706 19766 554 1 . 1 1 100 100 GLU H H 100 8.348 8.348 8.700 -0.352 19766 555 1 . 1 1 101 101 ALA N N 101 123.315 123.315 122.115 1.200 19766 556 1 . 1 1 101 101 ALA HA H 101 4.295 4.295 4.040 0.255 19766 557 1 . 1 1 101 101 ALA C C 101 181.438 181.438 179.738 1.700 19766 558 1 . 1 1 101 101 ALA CA C 101 54.858 54.858 54.823 0.035 19766 559 1 . 1 1 101 101 ALA CB C 101 18.677 18.677 18.421 0.256 19766 560 1 . 1 1 101 101 ALA H H 101 7.963 7.963 7.746 0.217 19766 561 1 . 1 1 102 102 VAL N N 102 120.092 120.092 118.374 1.718 19766 562 1 . 1 1 102 102 VAL HA H 102 3.777 3.777 3.540 0.237 19766 563 1 . 1 1 102 102 VAL C C 102 176.958 176.958 178.053 -1.095 19766 564 1 . 1 1 102 102 VAL CA C 102 67.405 67.405 66.131 1.274 19766 565 1 . 1 1 102 102 VAL CB C 102 31.836 31.836 31.395 0.441 19766 566 1 . 1 1 102 102 VAL H H 102 8.321 8.321 7.652 0.669 19766 567 1 . 1 1 103 103 LYS N N 103 120.226 120.226 118.706 1.520 19766 568 1 . 1 1 103 103 LYS HA H 103 3.926 3.926 4.044 -0.118 19766 569 1 . 1 1 103 103 LYS C C 103 178.354 178.354 178.599 -0.245 19766 570 1 . 1 1 103 103 LYS CA C 103 59.683 59.683 59.284 0.399 19766 571 1 . 1 1 103 103 LYS CB C 103 32.176 32.176 31.823 0.353 19766 572 1 . 1 1 103 103 LYS H H 103 8.266 8.266 7.912 0.354 19766 573 1 . 1 1 104 104 GLU N N 104 116.521 116.521 119.751 -3.230 19766 574 1 . 1 1 104 104 GLU HA H 104 3.961 3.961 4.041 -0.080 19766 575 1 . 1 1 104 104 GLU C C 104 178.628 178.628 178.630 -0.002 19766 576 1 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.266 -0.156 19766 577 1 . 1 1 104 104 GLU CB C 104 29.725 29.725 28.978 0.747 19766 578 1 . 1 1 104 104 GLU H H 104 8.027 8.027 8.338 -0.311 19766 579 1 . 1 1 105 105 GLU N N 105 118.569 118.569 117.705 0.864 19766 580 1 . 1 1 105 105 GLU HA H 105 3.900 3.900 4.206 -0.306 19766 581 1 . 1 1 105 105 GLU C C 105 178.399 178.399 178.809 -0.410 19766 582 1 . 1 1 105 105 GLU CA C 105 58.265 58.265 57.967 0.298 19766 583 1 . 1 1 105 105 GLU CB C 105 29.773 29.773 29.644 0.129 19766 584 1 . 1 1 105 105 GLU H H 105 7.225 7.225 7.719 -0.494 19766 585 1 . 1 1 106 106 LEU N N 106 116.938 116.938 119.576 -2.637 19766 586 1 . 1 1 106 106 LEU HA H 106 4.033 4.033 4.136 -0.103 19766 587 1 . 1 1 106 106 LEU C C 106 179.770 179.770 179.010 0.760 19766 588 1 . 1 1 106 106 LEU CA C 106 56.925 56.925 57.227 -0.302 19766 589 1 . 1 1 106 106 LEU CB C 106 40.285 40.285 41.956 -1.671 19766 590 1 . 1 1 106 106 LEU H H 106 8.273 8.273 7.332 0.941 19766 591 1 . 1 1 107 107 ASP N N 107 119.855 119.855 119.484 0.371 19766 592 1 . 1 1 107 107 ASP HA H 107 4.548 4.548 4.319 0.229 19766 593 1 . 1 1 107 107 ASP C C 107 177.891 177.891 178.042 -0.152 19766 594 1 . 1 1 107 107 ASP CA C 107 55.933 55.933 57.563 -1.630 19766 595 1 . 1 1 107 107 ASP CB C 107 40.714 40.714 40.794 -0.080 19766 596 1 . 1 1 107 107 ASP H H 107 8.286 8.286 8.806 -0.520 19766 597 1 . 1 1 108 108 ARG N N 108 118.853 118.853 116.653 2.200 19766 598 1 . 1 1 108 108 ARG HA H 108 4.081 4.081 4.143 -0.062 19766 599 1 . 1 1 108 108 ARG C C 108 177.325 177.325 177.842 -0.517 19766 600 1 . 1 1 108 108 ARG CA C 108 58.009 58.009 57.690 0.319 19766 601 1 . 1 1 108 108 ARG CB C 108 30.404 30.404 29.607 0.797 19766 602 1 . 1 1 108 108 ARG H H 108 7.406 7.406 7.759 -0.353 19766 603 1 . 1 1 109 109 ASP N N 109 119.636 119.636 117.930 1.706 19766 604 1 . 1 1 109 109 ASP HA H 109 4.535 4.535 4.628 -0.093 19766 605 1 . 1 1 109 109 ASP C C 109 176.758 176.758 177.450 -0.692 19766 606 1 . 1 1 109 109 ASP CA C 109 55.238 55.238 55.627 -0.389 19766 607 1 . 1 1 109 109 ASP CB C 109 40.745 40.745 41.708 -0.963 19766 608 1 . 1 1 109 109 ASP H H 109 7.853 7.853 7.786 0.067 19766 609 1 . 1 1 110 110 ILE N N 110 119.905 119.905 119.165 0.740 19766 610 1 . 1 1 110 110 ILE HA H 110 4.104 4.104 3.950 0.154 19766 611 1 . 1 1 110 110 ILE C C 110 176.642 176.642 176.830 -0.188 19766 612 1 . 1 1 110 110 ILE CA C 110 61.776 61.776 63.584 -1.808 19766 613 1 . 1 1 110 110 ILE CB C 110 38.454 38.454 38.757 -0.303 19766 614 1 . 1 1 110 110 ILE H H 110 7.623 7.623 7.459 0.164 19766 615 1 . 1 1 111 111 VAL N N 111 122.938 122.938 120.118 2.820 19766 616 1 . 1 1 111 111 VAL HA H 111 4.078 4.078 3.977 0.101 19766 617 1 . 1 1 111 111 VAL C C 111 176.668 176.668 175.447 1.221 19766 618 1 . 1 1 111 111 VAL CA C 111 63.037 63.037 62.701 0.336 19766 619 1 . 1 1 111 111 VAL CB C 111 32.482 32.482 32.801 -0.320 19766 620 1 . 1 1 111 111 VAL H H 111 8.043 8.043 8.018 0.025 19766 621 1 . 1 1 112 112 SER N N 112 118.345 118.345 121.542 -3.197 19766 622 1 . 1 1 112 112 SER HA H 112 4.417 4.417 4.508 -0.091 19766 623 1 . 1 1 112 112 SER C C 112 174.925 174.925 174.069 0.856 19766 624 1 . 1 1 112 112 SER CA C 112 58.848 58.848 58.706 0.142 19766 625 1 . 1 1 112 112 SER CB C 112 63.551 63.551 63.557 -0.006 19766 626 1 . 1 1 112 112 SER H H 112 8.210 8.210 8.409 -0.198 19766 627 1 . 1 1 113 113 LYS N N 113 122.729 122.729 122.464 0.265 19766 628 1 . 1 1 113 113 LYS HA H 113 4.318 4.318 4.332 -0.014 19766 629 1 . 1 1 113 113 LYS CA C 113 56.596 56.596 56.102 0.494 19766 630 1 . 1 1 113 113 LYS CB C 113 32.846 32.846 32.101 0.745 19766 631 1 . 1 1 113 113 LYS H H 113 8.295 8.295 8.136 0.159 19766 632 1 . 1 1 114 114 ASN N N 114 119.243 119.243 121.090 -1.847 19766 633 1 . 1 1 114 114 ASN HA H 114 4.678 4.678 4.693 -0.015 19766 634 1 . 1 1 114 114 ASN CA C 114 53.483 53.483 53.403 0.080 19766 635 1 . 1 1 114 114 ASN CB C 114 38.858 38.858 39.140 -0.282 19766 636 1 . 1 1 114 114 ASN H H 114 8.372 8.372 8.418 -0.046 19766 637 1 . 1 1 115 115 ASN N N 115 119.155 119.155 119.470 -0.315 19766 638 1 . 1 1 115 115 ASN HA H 115 4.682 4.682 4.752 -0.070 19766 639 1 . 1 1 115 115 ASN C C 115 174.877 174.877 174.146 0.731 19766 640 1 . 1 1 115 115 ASN CA C 115 53.483 53.483 53.197 0.285 19766 641 1 . 1 1 115 115 ASN CB C 115 38.858 38.858 39.107 -0.249 19766 642 1 . 1 1 115 115 ASN H H 115 8.372 8.372 8.339 0.033 19766 643 1 . 1 1 116 116 ALA N N 116 123.743 123.743 125.305 -1.562 19766 644 1 . 1 1 116 116 ALA HA H 116 4.329 4.329 4.481 -0.152 19766 645 1 . 1 1 116 116 ALA C C 116 177.574 177.574 176.878 0.696 19766 646 1 . 1 1 116 116 ALA CA C 116 52.693 52.693 52.096 0.597 19766 647 1 . 1 1 116 116 ALA CB C 116 19.347 19.347 19.302 0.045 19766 648 1 . 1 1 116 116 ALA H H 116 8.116 8.116 8.285 -0.169 19766 649 1 . 1 1 117 117 GLU N N 117 120.161 120.161 121.422 -1.261 19766 650 1 . 1 1 117 117 GLU HA H 117 4.273 4.273 4.376 -0.103 19766 651 1 . 1 1 117 117 GLU C C 117 175.557 175.557 175.866 -0.309 19766 652 1 . 1 1 117 117 GLU CA C 117 56.659 56.659 56.702 -0.043 19766 653 1 . 1 1 117 117 GLU CB C 117 30.154 30.154 30.319 -0.165 19766 654 1 . 1 1 117 117 GLU H H 117 8.220 8.220 8.506 -0.286 19766 stop_ save_