data_19562 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19562 _Entry.PDB_ID 2MFQ 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 19562 _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 9 9 HIS HA H 9 4.619 4.619 4.934 -0.315 19562 2 1 1 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.425 -0.277 19562 3 1 1 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.599 -0.990 19562 4 1 1 . 1 1 10 10 MET N N 10 120.964 120.964 120.732 0.232 19562 5 1 1 . 1 1 10 10 MET HA H 10 4.395 4.395 4.373 0.022 19562 6 1 1 . 1 1 10 10 MET CA C 10 55.153 55.153 57.648 -2.494 19562 7 1 1 . 1 1 10 10 MET CB C 10 32.293 32.293 33.144 -0.851 19562 8 1 1 . 1 1 10 10 MET H H 10 8.274 8.274 8.432 -0.158 19562 9 1 1 . 1 1 11 11 ASP N N 11 120.989 120.989 117.794 3.195 19562 10 1 1 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.714 0.032 19562 11 1 1 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.003 0.197 19562 12 1 1 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.236 -1.036 19562 13 1 1 . 1 1 11 11 ASP H H 11 8.281 8.281 8.135 0.146 19562 14 1 1 . 1 1 12 12 THR N N 12 113.244 113.244 113.175 0.069 19562 15 1 1 . 1 1 12 12 THR HA H 12 4.312 4.312 4.373 -0.061 19562 16 1 1 . 1 1 12 12 THR CA C 12 61.218 61.218 62.409 -1.191 19562 17 1 1 . 1 1 12 12 THR CB C 12 69.316 69.316 67.971 1.345 19562 18 1 1 . 1 1 12 12 THR H H 12 7.979 7.979 7.950 0.029 19562 19 1 1 . 1 1 13 13 VAL N N 13 123.579 123.579 127.471 -3.892 19562 20 1 1 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.379 0.025 19562 21 1 1 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.027 -0.793 19562 22 1 1 . 1 1 13 13 VAL CB C 13 32.299 32.299 33.200 -0.901 19562 23 1 1 . 1 1 13 13 VAL H H 13 8.021 8.021 7.720 0.301 19562 24 1 1 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.660 -0.233 19562 25 1 1 . 1 1 14 14 PRO CA C 14 62.900 62.900 61.982 0.918 19562 26 1 1 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.575 -0.785 19562 27 1 1 . 1 1 15 15 ASP N N 15 120.556 120.556 117.745 2.811 19562 28 1 1 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.277 0.175 19562 29 1 1 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.655 -1.234 19562 30 1 1 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.922 -0.364 19562 31 1 1 . 1 1 15 15 ASP H H 15 8.471 8.471 8.901 -0.430 19562 32 1 1 . 1 1 16 16 ASN N N 16 116.991 116.991 114.232 2.759 19562 33 1 1 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.643 -0.039 19562 34 1 1 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.226 0.056 19562 35 1 1 . 1 1 16 16 ASN CB C 16 37.731 37.731 41.033 -3.302 19562 36 1 1 . 1 1 16 16 ASN H H 16 8.111 8.111 7.314 0.797 19562 37 1 1 . 1 1 17 17 HIS N N 17 119.335 119.335 116.176 3.159 19562 38 1 1 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.116 0.296 19562 39 1 1 . 1 1 17 17 HIS CA C 17 56.436 56.436 59.747 -3.311 19562 40 1 1 . 1 1 17 17 HIS CB C 17 30.009 30.009 28.508 1.501 19562 41 1 1 . 1 1 17 17 HIS H H 17 8.014 8.014 8.883 -0.869 19562 42 1 1 . 1 1 18 18 ARG N N 18 122.269 122.269 119.170 3.099 19562 43 1 1 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.040 -0.057 19562 44 1 1 . 1 1 18 18 ARG CA C 18 57.419 57.419 56.511 0.908 19562 45 1 1 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.955 -1.174 19562 46 1 1 . 1 1 18 18 ARG H H 18 8.209 8.209 8.092 0.117 19562 47 1 1 . 1 1 19 19 ASN N N 19 114.495 114.495 116.298 -1.803 19562 48 1 1 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.220 0.495 19562 49 1 1 . 1 1 19 19 ASN CA C 19 52.723 52.723 55.164 -2.441 19562 50 1 1 . 1 1 19 19 ASN CB C 19 38.034 38.034 39.033 -1.000 19562 51 1 1 . 1 1 19 19 ASN H H 19 8.565 8.565 7.727 0.838 19562 52 1 1 . 1 1 20 20 LYS N N 20 117.932 117.932 120.174 -2.242 19562 53 1 1 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.187 1.070 19562 54 1 1 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.715 -0.979 19562 55 1 1 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.494 3.521 19562 56 1 1 . 1 1 20 20 LYS H H 20 7.040 7.040 7.779 -0.739 19562 57 1 1 . 1 1 21 21 PHE N N 21 120.620 120.620 127.650 -7.030 19562 58 1 1 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.590 -0.081 19562 59 1 1 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.749 1.172 19562 60 1 1 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.466 0.732 19562 61 1 1 . 1 1 21 21 PHE H H 21 9.389 9.389 8.158 1.231 19562 62 1 1 . 1 1 22 22 LYS N N 22 125.637 125.637 127.603 -1.966 19562 63 1 1 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.429 0.308 19562 64 1 1 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.085 0.887 19562 65 1 1 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.042 0.264 19562 66 1 1 . 1 1 22 22 LYS H H 22 9.258 9.258 8.993 0.265 19562 67 1 1 . 1 1 23 23 VAL N N 23 118.282 118.282 118.533 -0.251 19562 68 1 1 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.402 1.225 19562 69 1 1 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.120 -0.735 19562 70 1 1 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.074 2.442 19562 71 1 1 . 1 1 23 23 VAL H H 23 8.672 8.672 7.813 0.859 19562 72 1 1 . 1 1 24 24 ILE N N 24 120.397 120.397 120.112 0.285 19562 73 1 1 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.417 0.396 19562 74 1 1 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.906 0.255 19562 75 1 1 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.736 1.332 19562 76 1 1 . 1 1 24 24 ILE H H 24 8.824 8.824 8.290 0.534 19562 77 1 1 . 1 1 25 25 ASN N N 25 127.655 127.655 127.875 -0.220 19562 78 1 1 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.809 -0.308 19562 79 1 1 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.998 0.202 19562 80 1 1 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.160 1.360 19562 81 1 1 . 1 1 25 25 ASN H H 25 9.232 9.232 8.569 0.663 19562 82 1 1 . 1 1 26 26 VAL N N 26 116.322 116.322 116.873 -0.551 19562 83 1 1 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.246 0.296 19562 84 1 1 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.526 -1.754 19562 85 1 1 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.984 0.286 19562 86 1 1 . 1 1 26 26 VAL H H 26 7.680 7.680 7.487 0.193 19562 87 1 1 . 1 1 27 27 ASP N N 27 117.000 117.000 125.748 -8.748 19562 88 1 1 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.890 -0.797 19562 89 1 1 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.383 -2.421 19562 90 1 1 . 1 1 27 27 ASP H H 27 7.500 7.500 8.087 -0.587 19562 91 1 1 . 1 1 28 28 ASP N N 28 112.540 112.540 124.603 -12.063 19562 92 1 1 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.324 -0.153 19562 93 1 1 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.076 0.222 19562 94 1 1 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.770 -0.686 19562 95 1 1 . 1 1 28 28 ASP H H 28 7.922 7.922 8.983 -1.061 19562 96 1 1 . 1 1 29 29 ASP N N 29 115.319 115.319 116.672 -1.353 19562 97 1 1 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.705 0.040 19562 98 1 1 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.851 -0.400 19562 99 1 1 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.669 0.336 19562 100 1 1 . 1 1 29 29 ASP H H 29 7.809 7.809 8.024 -0.215 19562 101 1 1 . 1 1 30 30 GLY N N 30 108.887 108.887 108.555 0.332 19562 102 1 1 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.254 -0.765 19562 103 1 1 . 1 1 30 30 GLY H H 30 8.196 8.196 8.310 -0.114 19562 104 1 1 . 1 1 31 31 ASN N N 31 119.906 119.906 117.962 1.944 19562 105 1 1 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.808 -0.325 19562 106 1 1 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.878 1.323 19562 107 1 1 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.828 -2.217 19562 108 1 1 . 1 1 31 31 ASN H H 31 8.643 8.643 8.074 0.569 19562 109 1 1 . 1 1 32 32 GLU N N 32 119.114 119.114 125.757 -6.643 19562 110 1 1 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.296 -0.397 19562 111 1 1 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.502 -0.041 19562 112 1 1 . 1 1 32 32 GLU H H 32 8.525 8.525 9.011 -0.486 19562 113 1 1 . 1 1 33 33 LEU N N 33 126.117 126.117 123.638 2.479 19562 114 1 1 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.445 0.164 19562 115 1 1 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.870 -0.945 19562 116 1 1 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.208 -0.452 19562 117 1 1 . 1 1 33 33 LEU H H 33 8.817 8.817 8.700 0.117 19562 118 1 1 . 1 1 34 34 GLY N N 34 108.970 108.970 106.666 2.304 19562 119 1 1 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.531 0.458 19562 120 1 1 . 1 1 34 34 GLY H H 34 8.228 8.228 7.925 0.303 19562 121 1 1 . 1 1 35 35 SER N N 35 118.388 118.388 117.249 1.139 19562 122 1 1 . 1 1 35 35 SER HA H 35 5.465 5.465 4.365 1.100 19562 123 1 1 . 1 1 35 35 SER CA C 35 57.205 57.205 58.625 -1.420 19562 124 1 1 . 1 1 35 35 SER CB C 35 65.393 65.393 63.249 2.143 19562 125 1 1 . 1 1 35 35 SER H H 35 8.776 8.776 8.193 0.583 19562 126 1 1 . 1 1 36 36 GLY N N 36 109.081 109.081 110.396 -1.315 19562 127 1 1 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.849 1.636 19562 128 1 1 . 1 1 36 36 GLY H H 36 9.013 9.013 7.946 1.067 19562 129 1 1 . 1 1 37 37 ILE N N 37 121.560 121.560 118.984 2.576 19562 130 1 1 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.643 0.461 19562 131 1 1 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.364 -1.242 19562 132 1 1 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.797 -1.332 19562 133 1 1 . 1 1 37 37 ILE H H 37 8.779 8.779 8.632 0.147 19562 134 1 1 . 1 1 38 38 MET N N 38 128.553 128.553 122.835 5.718 19562 135 1 1 . 1 1 38 38 MET HA H 38 5.735 5.735 4.813 0.922 19562 136 1 1 . 1 1 38 38 MET CA C 38 53.008 53.008 53.542 -0.534 19562 137 1 1 . 1 1 38 38 MET CB C 38 36.446 36.446 34.194 2.252 19562 138 1 1 . 1 1 38 38 MET H H 38 9.827 9.827 9.326 0.501 19562 139 1 1 . 1 1 39 39 GLU N N 39 129.378 129.378 127.973 1.405 19562 140 1 1 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.571 0.929 19562 141 1 1 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.574 -2.119 19562 142 1 1 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.787 4.749 19562 143 1 1 . 1 1 39 39 GLU H H 39 10.160 10.160 9.237 0.923 19562 144 1 1 . 1 1 40 40 LEU N N 40 127.174 127.174 129.927 -2.753 19562 145 1 1 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.289 0.789 19562 146 1 1 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.269 -0.829 19562 147 1 1 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.706 0.307 19562 148 1 1 . 1 1 40 40 LEU H H 40 8.334 8.334 8.409 -0.075 19562 149 1 1 . 1 1 41 41 THR N N 41 115.971 115.971 115.860 0.111 19562 150 1 1 . 1 1 41 41 THR HA H 41 5.012 5.012 4.595 0.417 19562 151 1 1 . 1 1 41 41 THR CA C 41 59.113 59.113 59.490 -0.377 19562 152 1 1 . 1 1 41 41 THR CB C 41 69.295 69.295 71.213 -1.918 19562 153 1 1 . 1 1 41 41 THR H H 41 8.682 8.682 8.015 0.667 19562 154 1 1 . 1 1 42 42 ASP N N 42 117.467 117.467 118.241 -0.774 19562 155 1 1 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.242 0.373 19562 156 1 1 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.782 -1.090 19562 157 1 1 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.575 -0.784 19562 158 1 1 . 1 1 42 42 ASP H H 42 8.794 8.794 8.684 0.110 19562 159 1 1 . 1 1 43 43 THR N N 43 104.010 104.010 104.803 -0.793 19562 160 1 1 . 1 1 43 43 THR HA H 43 4.412 4.412 3.440 0.972 19562 161 1 1 . 1 1 43 43 THR CA C 43 61.601 61.601 61.611 -0.010 19562 162 1 1 . 1 1 43 43 THR CB C 43 71.362 71.362 70.730 0.632 19562 163 1 1 . 1 1 43 43 THR H H 43 7.763 7.763 7.271 0.492 19562 164 1 1 . 1 1 44 44 GLU N N 44 118.980 118.980 121.757 -2.777 19562 165 1 1 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.976 -0.806 19562 166 1 1 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.048 -1.108 19562 167 1 1 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.453 0.034 19562 168 1 1 . 1 1 44 44 GLU H H 44 7.263 7.263 7.753 -0.490 19562 169 1 1 . 1 1 45 45 LEU N N 45 122.138 122.138 127.677 -5.539 19562 170 1 1 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.658 0.314 19562 171 1 1 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.792 -1.071 19562 172 1 1 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.394 1.845 19562 173 1 1 . 1 1 45 45 LEU H H 45 8.314 8.314 9.323 -1.009 19562 174 1 1 . 1 1 46 46 ILE N N 46 124.244 124.244 126.534 -2.290 19562 175 1 1 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.475 0.249 19562 176 1 1 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.791 1.519 19562 177 1 1 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.191 4.299 19562 178 1 1 . 1 1 46 46 ILE H H 46 9.154 9.154 9.291 -0.137 19562 179 1 1 . 1 1 47 47 LEU N N 47 127.510 127.510 131.246 -3.736 19562 180 1 1 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.913 0.353 19562 181 1 1 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.281 -1.575 19562 182 1 1 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.942 2.794 19562 183 1 1 . 1 1 47 47 LEU H H 47 9.378 9.378 8.576 0.802 19562 184 1 1 . 1 1 48 48 TYR N N 48 128.014 128.014 127.401 0.613 19562 185 1 1 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.705 0.329 19562 186 1 1 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.605 -0.168 19562 187 1 1 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.920 1.871 19562 188 1 1 . 1 1 48 48 TYR H H 48 9.724 9.724 8.851 0.873 19562 189 1 1 . 1 1 49 49 THR N N 49 115.097 115.097 117.028 -1.931 19562 190 1 1 . 1 1 49 49 THR HA H 49 4.813 4.813 4.476 0.337 19562 191 1 1 . 1 1 49 49 THR CA C 49 60.349 60.349 61.285 -0.936 19562 192 1 1 . 1 1 49 49 THR CB C 49 70.967 70.967 70.207 0.760 19562 193 1 1 . 1 1 49 49 THR H H 49 8.659 8.659 7.935 0.724 19562 194 1 1 . 1 1 50 50 ARG N N 50 120.411 120.411 120.925 -0.514 19562 195 1 1 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.255 -0.056 19562 196 1 1 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.842 -1.395 19562 197 1 1 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.608 -0.834 19562 198 1 1 . 1 1 50 50 ARG H H 50 8.649 8.649 8.817 -0.168 19562 199 1 1 . 1 1 51 51 LYS N N 51 117.579 117.579 117.039 0.540 19562 200 1 1 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.459 -0.296 19562 201 1 1 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.396 0.282 19562 202 1 1 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.161 -0.804 19562 203 1 1 . 1 1 51 51 LYS H H 51 8.406 8.406 8.192 0.214 19562 204 1 1 . 1 1 52 52 ARG N N 52 116.662 116.662 120.994 -4.332 19562 205 1 1 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.399 0.043 19562 206 1 1 . 1 1 52 52 ARG CA C 52 55.305 55.305 55.680 -0.375 19562 207 1 1 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.113 0.636 19562 208 1 1 . 1 1 52 52 ARG H H 52 7.973 7.973 7.736 0.237 19562 209 1 1 . 1 1 53 53 ASP N N 53 119.760 119.760 115.885 3.875 19562 210 1 1 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.372 0.388 19562 211 1 1 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.898 -1.007 19562 212 1 1 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.430 -0.423 19562 213 1 1 . 1 1 53 53 ASP H H 53 8.066 8.066 7.823 0.243 19562 214 1 1 . 1 1 54 54 SER N N 54 116.756 116.756 115.305 1.451 19562 215 1 1 . 1 1 54 54 SER HA H 54 4.891 4.891 4.222 0.669 19562 216 1 1 . 1 1 54 54 SER CA C 54 57.072 57.072 59.647 -2.575 19562 217 1 1 . 1 1 54 54 SER CB C 54 64.473 64.473 61.621 2.852 19562 218 1 1 . 1 1 54 54 SER H H 54 8.477 8.477 8.306 0.171 19562 219 1 1 . 1 1 55 55 VAL N N 55 122.716 122.716 124.823 -2.107 19562 220 1 1 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.897 0.051 19562 221 1 1 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.002 -2.546 19562 222 1 1 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.953 0.585 19562 223 1 1 . 1 1 55 55 VAL H H 55 8.334 8.334 8.947 -0.613 19562 224 1 1 . 1 1 56 56 LYS N N 56 121.568 121.568 120.351 1.217 19562 225 1 1 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.966 0.305 19562 226 1 1 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.364 -0.673 19562 227 1 1 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.065 0.738 19562 228 1 1 . 1 1 56 56 LYS H H 56 7.501 7.501 7.901 -0.400 19562 229 1 1 . 1 1 57 57 TRP N N 57 123.638 123.638 122.613 1.025 19562 230 1 1 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.822 -0.157 19562 231 1 1 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.416 1.347 19562 232 1 1 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.961 0.589 19562 233 1 1 . 1 1 57 57 TRP H H 57 9.453 9.453 8.646 0.807 19562 234 1 1 . 1 1 58 58 HIS N N 58 125.312 125.312 126.127 -0.815 19562 235 1 1 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.119 -0.580 19562 236 1 1 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.395 -0.212 19562 237 1 1 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.626 -1.301 19562 238 1 1 . 1 1 58 58 HIS H H 58 9.024 9.024 8.830 0.194 19562 239 1 1 . 1 1 59 59 TYR N N 59 126.691 126.691 125.519 1.172 19562 240 1 1 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.261 0.091 19562 241 1 1 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.620 0.079 19562 242 1 1 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.194 -1.667 19562 243 1 1 . 1 1 59 59 TYR H H 59 8.079 8.079 8.782 -0.703 19562 244 1 1 . 1 1 60 60 LEU N N 60 114.859 114.859 118.153 -3.294 19562 245 1 1 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.435 -0.198 19562 246 1 1 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.059 1.040 19562 247 1 1 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.642 -0.088 19562 248 1 1 . 1 1 60 60 LEU H H 60 9.307 9.307 7.957 1.350 19562 249 1 1 . 1 1 61 61 CYS N N 61 114.415 114.415 116.588 -2.173 19562 250 1 1 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.582 0.664 19562 251 1 1 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.376 -0.943 19562 252 1 1 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.141 -2.075 19562 253 1 1 . 1 1 61 61 CYS H H 61 8.421 8.421 7.581 0.840 19562 254 1 1 . 1 1 62 62 LEU N N 62 122.413 122.413 123.390 -0.977 19562 255 1 1 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.248 0.499 19562 256 1 1 . 1 1 62 62 LEU CA C 62 54.438 54.438 56.183 -1.745 19562 257 1 1 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.353 0.686 19562 258 1 1 . 1 1 62 62 LEU H H 62 7.702 7.702 7.494 0.208 19562 259 1 1 . 1 1 63 63 ARG N N 63 122.839 122.839 123.668 -0.829 19562 260 1 1 . 1 1 63 63 ARG H H 63 9.301 9.301 9.012 0.289 19562 261 1 1 . 1 1 64 64 ARG N N 64 111.512 111.512 118.154 -6.642 19562 262 1 1 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.641 0.845 19562 263 1 1 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.273 -1.628 19562 264 1 1 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.752 3.253 19562 265 1 1 . 1 1 64 64 ARG H H 64 7.457 7.457 7.664 -0.207 19562 266 1 1 . 1 1 65 65 TYR N N 65 115.127 115.127 120.447 -5.320 19562 267 1 1 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.161 0.379 19562 268 1 1 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.245 0.944 19562 269 1 1 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.826 -1.312 19562 270 1 1 . 1 1 65 65 TYR H H 65 8.340 8.340 8.479 -0.139 19562 271 1 1 . 1 1 66 66 GLY N N 66 104.938 104.938 108.806 -3.868 19562 272 1 1 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.542 2.358 19562 273 1 1 . 1 1 66 66 GLY H H 66 8.950 8.950 8.696 0.254 19562 274 1 1 . 1 1 67 67 TYR N N 67 117.143 117.143 120.150 -3.007 19562 275 1 1 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.517 0.045 19562 276 1 1 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.992 -1.507 19562 277 1 1 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.118 2.229 19562 278 1 1 . 1 1 67 67 TYR H H 67 8.022 8.022 7.975 0.047 19562 279 1 1 . 1 1 68 68 ASP N N 68 119.290 119.290 125.482 -6.192 19562 280 1 1 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.201 -0.371 19562 281 1 1 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.753 3.689 19562 282 1 1 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.243 2.772 19562 283 1 1 . 1 1 68 68 ASP H H 68 8.656 8.656 9.212 -0.556 19562 284 1 1 . 1 1 69 69 SER N N 69 119.561 119.561 117.473 2.088 19562 285 1 1 . 1 1 69 69 SER HA H 69 4.040 4.040 4.230 -0.190 19562 286 1 1 . 1 1 69 69 SER CB C 69 59.170 59.170 61.452 -2.282 19562 287 1 1 . 1 1 69 69 SER H H 69 8.957 8.957 8.552 0.405 19562 288 1 1 . 1 1 70 70 ASN N N 70 119.438 119.438 115.230 4.208 19562 289 1 1 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.533 0.599 19562 290 1 1 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.253 -2.265 19562 291 1 1 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.272 0.006 19562 292 1 1 . 1 1 70 70 ASN H H 70 8.502 8.502 8.798 -0.296 19562 293 1 1 . 1 1 71 71 LEU N N 71 120.481 120.481 119.041 1.440 19562 294 1 1 . 1 1 71 71 LEU HA H 71 5.565 5.565 5.019 0.546 19562 295 1 1 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.096 -0.645 19562 296 1 1 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.687 1.049 19562 297 1 1 . 1 1 71 71 LEU H H 71 8.807 8.807 8.557 0.250 19562 298 1 1 . 1 1 72 72 PHE N N 72 120.815 120.815 126.955 -6.140 19562 299 1 1 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.404 0.123 19562 300 1 1 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.349 -0.165 19562 301 1 1 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.680 1.183 19562 302 1 1 . 1 1 72 72 PHE H H 72 9.439 9.439 9.627 -0.188 19562 303 1 1 . 1 1 73 73 SER N N 73 120.270 120.270 118.661 1.609 19562 304 1 1 . 1 1 73 73 SER HA H 73 5.387 5.387 4.187 1.200 19562 305 1 1 . 1 1 73 73 SER CA C 73 54.994 54.994 55.171 -0.177 19562 306 1 1 . 1 1 73 73 SER CB C 73 66.409 66.409 65.595 0.814 19562 307 1 1 . 1 1 73 73 SER H H 73 8.597 8.597 8.063 0.534 19562 308 1 1 . 1 1 74 74 PHE N N 74 117.157 117.157 116.878 0.279 19562 309 1 1 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.309 -0.048 19562 310 1 1 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.825 -0.126 19562 311 1 1 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.362 0.541 19562 312 1 1 . 1 1 74 74 PHE H H 74 8.050 8.050 7.660 0.390 19562 313 1 1 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.878 0.858 19562 314 1 1 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.770 -3.062 19562 315 1 1 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.663 1.157 19562 316 1 1 . 1 1 76 76 SER N N 76 123.656 123.656 122.737 0.919 19562 317 1 1 . 1 1 76 76 SER HA H 76 5.243 5.243 5.109 0.134 19562 318 1 1 . 1 1 76 76 SER CA C 76 56.906 56.906 57.472 -0.567 19562 319 1 1 . 1 1 76 76 SER CB C 76 67.886 67.886 64.161 3.725 19562 320 1 1 . 1 1 76 76 SER H H 76 9.930 9.930 8.871 1.059 19562 321 1 1 . 1 1 77 77 GLY N N 77 105.906 105.906 110.597 -4.691 19562 322 1 1 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.837 0.163 19562 323 1 1 . 1 1 77 77 GLY H H 77 8.939 8.939 9.167 -0.228 19562 324 1 1 . 1 1 78 78 ARG N N 78 114.676 114.676 118.920 -4.244 19562 325 1 1 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.630 -0.613 19562 326 1 1 . 1 1 78 78 ARG H H 78 9.680 9.680 7.521 2.159 19562 327 1 1 . 1 1 79 79 ARG N N 79 121.801 121.801 119.825 1.976 19562 328 1 1 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.374 0.199 19562 329 1 1 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.692 -1.764 19562 330 1 1 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.974 -3.904 19562 331 1 1 . 1 1 79 79 ARG H H 79 9.389 9.389 8.552 0.837 19562 332 1 1 . 1 1 80 80 CYS N N 80 113.901 113.901 118.420 -4.519 19562 333 1 1 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.516 0.372 19562 334 1 1 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.996 -1.031 19562 335 1 1 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.519 -1.921 19562 336 1 1 . 1 1 80 80 CYS H H 80 7.994 7.994 9.303 -1.309 19562 337 1 1 . 1 1 81 81 GLN N N 81 122.839 122.839 121.209 1.630 19562 338 1 1 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.024 0.072 19562 339 1 1 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.622 0.317 19562 340 1 1 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.083 -0.743 19562 341 1 1 . 1 1 81 81 GLN H H 81 8.950 8.950 8.694 0.256 19562 342 1 1 . 1 1 82 82 THR N N 82 107.297 107.297 109.408 -2.111 19562 343 1 1 . 1 1 82 82 THR HA H 82 4.207 4.207 4.394 -0.187 19562 344 1 1 . 1 1 82 82 THR CA C 82 63.147 63.147 61.980 1.167 19562 345 1 1 . 1 1 82 82 THR CB C 82 70.591 70.591 69.464 1.127 19562 346 1 1 . 1 1 82 82 THR H H 82 8.345 8.345 8.235 0.110 19562 347 1 1 . 1 1 83 83 GLY N N 83 112.681 112.681 109.731 2.950 19562 348 1 1 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.321 -1.327 19562 349 1 1 . 1 1 83 83 GLY H H 83 7.820 7.820 7.840 -0.020 19562 350 1 1 . 1 1 84 84 GLN N N 84 119.972 119.972 121.843 -1.871 19562 351 1 1 . 1 1 84 84 GLN H H 84 8.622 8.622 8.539 0.083 19562 352 1 1 . 1 1 85 85 GLY N N 85 111.040 111.040 106.161 4.879 19562 353 1 1 . 1 1 85 85 GLY H H 85 8.056 8.056 7.763 0.293 19562 354 1 1 . 1 1 86 86 ILE N N 86 121.645 121.645 123.874 -2.229 19562 355 1 1 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.206 0.080 19562 356 1 1 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.377 -2.215 19562 357 1 1 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.560 1.982 19562 358 1 1 . 1 1 86 86 ILE H H 86 8.021 8.021 8.356 -0.335 19562 359 1 1 . 1 1 87 87 PHE N N 87 123.890 123.890 130.086 -6.196 19562 360 1 1 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.624 0.002 19562 361 1 1 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.364 0.580 19562 362 1 1 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.156 0.847 19562 363 1 1 . 1 1 87 87 PHE H H 87 8.476 8.476 8.651 -0.175 19562 364 1 1 . 1 1 88 88 ALA N N 88 124.824 124.824 128.963 -4.139 19562 365 1 1 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.011 1.270 19562 366 1 1 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.686 0.518 19562 367 1 1 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.008 1.327 19562 368 1 1 . 1 1 88 88 ALA H H 88 9.149 9.149 8.033 1.116 19562 369 1 1 . 1 1 89 89 PHE N N 89 118.047 118.047 117.555 0.492 19562 370 1 1 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.960 0.485 19562 371 1 1 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.763 -0.058 19562 372 1 1 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.834 0.662 19562 373 1 1 . 1 1 89 89 PHE H H 89 9.423 9.423 8.915 0.508 19562 374 1 1 . 1 1 90 90 LYS N N 90 122.937 122.937 125.427 -2.490 19562 375 1 1 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.659 0.846 19562 376 1 1 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.328 -1.500 19562 377 1 1 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.593 2.420 19562 378 1 1 . 1 1 90 90 LYS H H 90 9.943 9.943 9.238 0.705 19562 379 1 1 . 1 1 91 91 CYS N N 91 126.115 126.115 122.991 3.124 19562 380 1 1 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.658 0.095 19562 381 1 1 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.272 0.903 19562 382 1 1 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.066 -0.257 19562 383 1 1 . 1 1 91 91 CYS H H 91 9.689 9.689 8.208 1.481 19562 384 1 1 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.023 0.408 19562 385 1 1 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.787 -0.077 19562 386 1 1 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.705 -0.842 19562 387 1 1 . 1 1 93 93 ARG N N 93 117.248 117.248 118.109 -0.861 19562 388 1 1 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.189 0.823 19562 389 1 1 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.512 0.445 19562 390 1 1 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.227 3.576 19562 391 1 1 . 1 1 93 93 ARG H H 93 7.964 7.964 7.951 0.013 19562 392 1 1 . 1 1 94 94 ALA N N 94 122.369 122.369 123.860 -1.491 19562 393 1 1 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.995 -0.472 19562 394 1 1 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.530 -0.559 19562 395 1 1 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.931 -0.835 19562 396 1 1 . 1 1 94 94 ALA H H 94 7.310 7.310 8.125 -0.815 19562 397 1 1 . 1 1 95 95 GLU N N 95 116.205 116.205 118.071 -1.866 19562 398 1 1 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.795 -0.315 19562 399 1 1 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.160 -0.464 19562 400 1 1 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.717 1.344 19562 401 1 1 . 1 1 95 95 GLU H H 95 8.376 8.376 8.570 -0.194 19562 402 1 1 . 1 1 96 96 GLU N N 96 119.188 119.188 120.230 -1.042 19562 403 1 1 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.032 -0.065 19562 404 1 1 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.366 0.534 19562 405 1 1 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.125 0.905 19562 406 1 1 . 1 1 96 96 GLU H H 96 7.418 7.418 7.854 -0.436 19562 407 1 1 . 1 1 97 97 LEU N N 97 123.654 123.654 120.868 2.786 19562 408 1 1 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.125 -1.111 19562 409 1 1 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.415 0.304 19562 410 1 1 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.885 -0.872 19562 411 1 1 . 1 1 97 97 LEU H H 97 7.847 7.847 8.534 -0.687 19562 412 1 1 . 1 1 98 98 PHE N N 98 118.746 118.746 119.580 -0.834 19562 413 1 1 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.327 -0.534 19562 414 1 1 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.633 0.063 19562 415 1 1 . 1 1 98 98 PHE H H 98 8.076 8.076 9.137 -1.061 19562 416 1 1 . 1 1 99 99 ASN N N 99 117.017 117.017 118.125 -1.108 19562 417 1 1 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.219 0.001 19562 418 1 1 . 1 1 99 99 ASN CA C 99 55.466 55.466 56.085 -0.619 19562 419 1 1 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.447 -1.166 19562 420 1 1 . 1 1 99 99 ASN H H 99 8.622 8.622 8.321 0.301 19562 421 1 1 . 1 1 100 100 MET N N 100 121.914 121.914 119.487 2.427 19562 422 1 1 . 1 1 100 100 MET HA H 100 4.061 4.061 3.967 0.094 19562 423 1 1 . 1 1 100 100 MET CA C 100 58.699 58.699 59.116 -0.417 19562 424 1 1 . 1 1 100 100 MET CB C 100 32.048 32.048 32.572 -0.524 19562 425 1 1 . 1 1 100 100 MET H H 100 8.316 8.316 8.316 0.000 19562 426 1 1 . 1 1 101 101 LEU N N 101 121.094 121.094 120.440 0.654 19562 427 1 1 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.054 -0.474 19562 428 1 1 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.077 -0.651 19562 429 1 1 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.393 -0.293 19562 430 1 1 . 1 1 101 101 LEU H H 101 8.047 8.047 8.729 -0.682 19562 431 1 1 . 1 1 102 102 GLN N N 102 116.417 116.417 117.094 -0.677 19562 432 1 1 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.087 -0.173 19562 433 1 1 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.846 -0.400 19562 434 1 1 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.225 0.462 19562 435 1 1 . 1 1 102 102 GLN H H 102 8.195 8.195 8.508 -0.313 19562 436 1 1 . 1 1 103 103 GLU N N 103 119.096 119.096 119.987 -0.891 19562 437 1 1 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.149 -0.241 19562 438 1 1 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.792 0.125 19562 439 1 1 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.640 -0.579 19562 440 1 1 . 1 1 103 103 GLU H H 103 7.635 7.635 8.324 -0.689 19562 441 1 1 . 1 1 104 104 ILE N N 104 120.803 120.803 121.899 -1.096 19562 442 1 1 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.561 0.040 19562 443 1 1 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.067 -1.357 19562 444 1 1 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.825 0.225 19562 445 1 1 . 1 1 104 104 ILE H H 104 7.965 7.965 8.888 -0.923 19562 446 1 1 . 1 1 105 105 MET N N 105 117.016 117.016 118.394 -1.378 19562 447 1 1 . 1 1 105 105 MET HA H 105 4.020 4.020 4.161 -0.141 19562 448 1 1 . 1 1 105 105 MET CA C 105 57.384 57.384 59.732 -2.348 19562 449 1 1 . 1 1 105 105 MET H H 105 8.145 8.145 8.592 -0.447 19562 450 1 1 . 1 1 106 106 GLN N N 106 116.150 116.150 117.172 -1.022 19562 451 1 1 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.158 0.045 19562 452 1 1 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.337 -1.696 19562 453 1 1 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.579 -0.466 19562 454 1 1 . 1 1 106 106 GLN H H 106 7.930 7.930 7.985 -0.055 19562 455 1 1 . 1 1 107 107 ASN N N 107 117.360 117.360 114.156 3.204 19562 456 1 1 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.784 -0.064 19562 457 1 1 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.394 -0.897 19562 458 1 1 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.442 -0.883 19562 459 1 1 . 1 1 107 107 ASN H H 107 7.872 7.872 8.268 -0.396 19562 460 1 1 . 1 1 108 108 ASN N N 108 118.611 118.611 117.773 0.838 19562 461 1 1 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.864 -0.104 19562 462 1 1 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.179 -1.479 19562 463 1 1 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.866 -2.348 19562 464 1 1 . 1 1 108 108 ASN H H 108 8.144 8.144 8.237 -0.093 19562 465 1 1 . 1 1 109 109 SER N N 109 115.704 115.704 112.688 3.016 19562 466 1 1 . 1 1 109 109 SER HA H 109 4.519 4.519 4.074 0.445 19562 467 1 1 . 1 1 109 109 SER CA C 109 57.700 57.700 60.252 -2.552 19562 468 1 1 . 1 1 109 109 SER CB C 109 63.150 63.150 63.012 0.138 19562 469 1 1 . 1 1 109 109 SER H H 109 8.215 8.215 7.891 0.324 19562 470 1 1 . 1 1 110 110 ILE N N 110 121.954 121.954 119.029 2.925 19562 471 1 1 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.728 0.484 19562 472 1 1 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.222 -1.336 19562 473 1 1 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.833 1.402 19562 474 1 1 . 1 1 110 110 ILE H H 110 8.061 8.061 7.661 0.400 19562 475 1 1 . 1 1 111 111 ASN N N 111 122.386 122.386 123.409 -1.023 19562 476 1 1 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.983 -0.201 19562 477 1 1 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.261 0.473 19562 478 1 1 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.835 -2.035 19562 479 1 1 . 1 1 111 111 ASN H H 111 8.376 8.376 8.359 0.017 19562 480 1 1 . 1 1 112 112 VAL N N 112 120.830 120.830 123.343 -2.513 19562 481 1 1 . 1 1 112 112 VAL HA H 112 4.185 4.185 3.938 0.247 19562 482 1 1 . 1 1 112 112 VAL CA C 112 61.660 61.660 64.211 -2.551 19562 483 1 1 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.124 0.206 19562 484 1 1 . 1 1 112 112 VAL H H 112 8.067 8.067 8.561 -0.494 19562 485 1 1 . 1 1 113 113 VAL N N 113 124.249 124.249 115.652 8.597 19562 486 1 1 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.040 0.075 19562 487 1 1 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.759 -0.309 19562 488 1 1 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.632 -1.287 19562 489 1 1 . 1 1 113 113 VAL H H 113 8.167 8.167 7.206 0.961 19562 490 1 1 . 1 1 114 114 GLU N N 114 125.288 125.288 120.114 5.174 19562 491 1 1 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.125 0.184 19562 492 1 1 . 1 1 114 114 GLU CA C 114 55.690 55.690 56.942 -1.252 19562 493 1 1 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.491 0.559 19562 494 1 1 . 1 1 114 114 GLU H H 114 8.405 8.405 8.377 0.028 19562 495 1 1 . 1 1 115 115 GLU N N 115 123.990 123.990 122.388 1.602 19562 496 1 1 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.402 0.161 19562 497 1 1 . 1 1 115 115 GLU CA C 115 53.725 53.725 55.021 -1.296 19562 498 1 1 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.921 -0.486 19562 499 1 1 . 1 1 115 115 GLU H H 115 8.392 8.392 8.410 -0.018 19562 500 1 1 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.358 0.072 19562 501 1 1 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.711 -0.041 19562 502 1 1 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.018 1.637 19562 503 1 1 . 1 1 117 117 VAL N N 117 121.339 121.339 115.754 5.585 19562 504 1 1 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.637 0.439 19562 505 1 1 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.619 -0.629 19562 506 1 1 . 1 1 117 117 VAL CB C 117 31.820 31.820 30.872 0.948 19562 507 1 1 . 1 1 117 117 VAL H H 117 8.266 8.266 8.445 -0.179 19562 508 1 1 . 1 1 118 118 VAL N N 118 124.762 124.762 124.958 -0.196 19562 509 1 1 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.833 0.283 19562 510 1 1 . 1 1 118 118 VAL H H 118 8.202 8.202 8.238 -0.036 19562 511 1 1 . 1 1 119 119 GLU N N 119 125.304 125.304 124.940 0.364 19562 512 1 1 . 1 1 119 119 GLU H H 119 8.479 8.479 8.705 -0.226 19562 513 1 1 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.093 0.302 19562 514 1 1 . 1 1 120 120 ARG CA C 120 55.350 55.350 57.304 -1.954 19562 515 1 1 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.313 0.252 19562 516 1 1 . 1 1 121 121 ASN N N 121 120.465 120.465 116.608 3.857 19562 517 1 1 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.540 0.214 19562 518 1 1 . 1 1 121 121 ASN H H 121 8.536 8.536 8.554 -0.018 19562 519 1 2 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.776 -0.157 19562 520 1 2 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.210 -0.062 19562 521 1 2 . 1 1 9 9 HIS CB C 9 29.609 29.609 29.994 -0.385 19562 522 1 2 . 1 1 10 10 MET N N 10 120.964 120.964 123.294 -2.330 19562 523 1 2 . 1 1 10 10 MET HA H 10 4.395 4.395 4.114 0.281 19562 524 1 2 . 1 1 10 10 MET CA C 10 55.153 55.153 57.273 -2.120 19562 525 1 2 . 1 1 10 10 MET CB C 10 32.293 32.293 32.836 -0.543 19562 526 1 2 . 1 1 10 10 MET H H 10 8.274 8.274 8.188 0.086 19562 527 1 2 . 1 1 11 11 ASP N N 11 120.989 120.989 115.611 5.378 19562 528 1 2 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.654 0.092 19562 529 1 2 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.192 0.008 19562 530 1 2 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.667 -0.467 19562 531 1 2 . 1 1 11 11 ASP H H 11 8.281 8.281 7.946 0.335 19562 532 1 2 . 1 1 12 12 THR N N 12 113.244 113.244 114.017 -0.773 19562 533 1 2 . 1 1 12 12 THR HA H 12 4.312 4.312 4.342 -0.030 19562 534 1 2 . 1 1 12 12 THR CA C 12 61.218 61.218 61.565 -0.347 19562 535 1 2 . 1 1 12 12 THR CB C 12 69.316 69.316 67.427 1.889 19562 536 1 2 . 1 1 12 12 THR H H 12 7.979 7.979 8.311 -0.332 19562 537 1 2 . 1 1 13 13 VAL N N 13 123.579 123.579 123.585 -0.006 19562 538 1 2 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.077 0.327 19562 539 1 2 . 1 1 13 13 VAL CA C 13 59.234 59.234 61.447 -2.213 19562 540 1 2 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.817 -0.518 19562 541 1 2 . 1 1 13 13 VAL H H 13 8.021 8.021 7.650 0.371 19562 542 1 2 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.492 -0.065 19562 543 1 2 . 1 1 14 14 PRO CA C 14 62.900 62.900 63.215 -0.315 19562 544 1 2 . 1 1 14 14 PRO CB C 14 31.790 31.790 30.234 1.556 19562 545 1 2 . 1 1 15 15 ASP N N 15 120.556 120.556 115.970 4.586 19562 546 1 2 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.313 0.139 19562 547 1 2 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.829 -1.408 19562 548 1 2 . 1 1 15 15 ASP CB C 15 40.558 40.558 39.635 0.923 19562 549 1 2 . 1 1 15 15 ASP H H 15 8.471 8.471 8.815 -0.344 19562 550 1 2 . 1 1 16 16 ASN N N 16 116.991 116.991 116.070 0.921 19562 551 1 2 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.558 0.046 19562 552 1 2 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.442 -0.160 19562 553 1 2 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.115 -1.384 19562 554 1 2 . 1 1 16 16 ASN H H 16 8.111 8.111 8.287 -0.176 19562 555 1 2 . 1 1 17 17 HIS N N 17 119.335 119.335 117.823 1.512 19562 556 1 2 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.151 0.261 19562 557 1 2 . 1 1 17 17 HIS CA C 17 56.436 56.436 59.256 -2.820 19562 558 1 2 . 1 1 17 17 HIS CB C 17 30.009 30.009 28.129 1.880 19562 559 1 2 . 1 1 17 17 HIS H H 17 8.014 8.014 8.210 -0.196 19562 560 1 2 . 1 1 18 18 ARG N N 18 122.269 122.269 122.557 -0.288 19562 561 1 2 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.305 -0.322 19562 562 1 2 . 1 1 18 18 ARG CA C 18 57.419 57.419 56.924 0.495 19562 563 1 2 . 1 1 18 18 ARG CB C 18 29.781 29.781 31.748 -1.967 19562 564 1 2 . 1 1 18 18 ARG H H 18 8.209 8.209 8.288 -0.079 19562 565 1 2 . 1 1 19 19 ASN N N 19 114.495 114.495 115.804 -1.309 19562 566 1 2 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.199 0.516 19562 567 1 2 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.385 -1.662 19562 568 1 2 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.949 -0.915 19562 569 1 2 . 1 1 19 19 ASN H H 19 8.565 8.565 7.676 0.889 19562 570 1 2 . 1 1 20 20 LYS N N 20 117.932 117.932 121.537 -3.605 19562 571 1 2 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.169 1.088 19562 572 1 2 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.312 -0.577 19562 573 1 2 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.562 3.453 19562 574 1 2 . 1 1 20 20 LYS H H 20 7.040 7.040 7.086 -0.046 19562 575 1 2 . 1 1 21 21 PHE N N 21 120.620 120.620 128.064 -7.444 19562 576 1 2 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.601 -0.092 19562 577 1 2 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.453 1.468 19562 578 1 2 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.368 0.830 19562 579 1 2 . 1 1 21 21 PHE H H 21 9.389 9.389 8.258 1.131 19562 580 1 2 . 1 1 22 22 LYS N N 22 125.637 125.637 127.560 -1.923 19562 581 1 2 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.431 0.306 19562 582 1 2 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.331 0.641 19562 583 1 2 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.015 0.291 19562 584 1 2 . 1 1 22 22 LYS H H 22 9.258 9.258 8.994 0.264 19562 585 1 2 . 1 1 23 23 VAL N N 23 118.282 118.282 118.495 -0.213 19562 586 1 2 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.389 1.238 19562 587 1 2 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.300 -0.915 19562 588 1 2 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.983 2.533 19562 589 1 2 . 1 1 23 23 VAL H H 23 8.672 8.672 7.787 0.885 19562 590 1 2 . 1 1 24 24 ILE N N 24 120.397 120.397 119.266 1.131 19562 591 1 2 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.435 0.378 19562 592 1 2 . 1 1 24 24 ILE CA C 24 60.161 60.161 60.071 0.090 19562 593 1 2 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.563 2.505 19562 594 1 2 . 1 1 24 24 ILE H H 24 8.824 8.824 8.271 0.553 19562 595 1 2 . 1 1 25 25 ASN N N 25 127.655 127.655 126.631 1.024 19562 596 1 2 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.742 -0.241 19562 597 1 2 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.401 0.800 19562 598 1 2 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.360 1.160 19562 599 1 2 . 1 1 25 25 ASN H H 25 9.232 9.232 8.508 0.724 19562 600 1 2 . 1 1 26 26 VAL N N 26 116.322 116.322 115.129 1.193 19562 601 1 2 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.350 0.192 19562 602 1 2 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.460 -1.688 19562 603 1 2 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.831 0.439 19562 604 1 2 . 1 1 26 26 VAL H H 26 7.680 7.680 7.468 0.212 19562 605 1 2 . 1 1 27 27 ASP N N 27 117.000 117.000 125.158 -8.158 19562 606 1 2 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.883 -0.790 19562 607 1 2 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.304 -2.342 19562 608 1 2 . 1 1 27 27 ASP H H 27 7.500 7.500 8.172 -0.672 19562 609 1 2 . 1 1 28 28 ASP N N 28 112.540 112.540 124.713 -12.173 19562 610 1 2 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.301 -0.130 19562 611 1 2 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.073 0.225 19562 612 1 2 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.936 -0.852 19562 613 1 2 . 1 1 28 28 ASP H H 28 7.922 7.922 8.951 -1.029 19562 614 1 2 . 1 1 29 29 ASP N N 29 115.319 115.319 116.693 -1.374 19562 615 1 2 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.635 0.110 19562 616 1 2 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.943 -0.492 19562 617 1 2 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.374 0.630 19562 618 1 2 . 1 1 29 29 ASP H H 29 7.809 7.809 7.976 -0.167 19562 619 1 2 . 1 1 30 30 GLY N N 30 108.887 108.887 108.715 0.172 19562 620 1 2 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.153 -0.664 19562 621 1 2 . 1 1 30 30 GLY H H 30 8.196 8.196 8.218 -0.022 19562 622 1 2 . 1 1 31 31 ASN N N 31 119.906 119.906 119.130 0.776 19562 623 1 2 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.639 -0.156 19562 624 1 2 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.967 0.234 19562 625 1 2 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.262 -1.651 19562 626 1 2 . 1 1 31 31 ASN H H 31 8.643 8.643 7.992 0.651 19562 627 1 2 . 1 1 32 32 GLU N N 32 119.114 119.114 127.595 -8.481 19562 628 1 2 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.095 -0.196 19562 629 1 2 . 1 1 32 32 GLU CA C 32 57.461 57.461 56.959 0.502 19562 630 1 2 . 1 1 32 32 GLU H H 32 8.525 8.525 8.900 -0.375 19562 631 1 2 . 1 1 33 33 LEU N N 33 126.117 126.117 122.519 3.598 19562 632 1 2 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.226 0.383 19562 633 1 2 . 1 1 33 33 LEU CA C 33 52.925 52.925 56.421 -3.496 19562 634 1 2 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.930 -1.174 19562 635 1 2 . 1 1 33 33 LEU H H 33 8.817 8.817 8.627 0.190 19562 636 1 2 . 1 1 34 34 GLY N N 34 108.970 108.970 103.112 5.858 19562 637 1 2 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.728 0.261 19562 638 1 2 . 1 1 34 34 GLY H H 34 8.228 8.228 7.605 0.623 19562 639 1 2 . 1 1 35 35 SER N N 35 118.388 118.388 114.539 3.849 19562 640 1 2 . 1 1 35 35 SER HA H 35 5.465 5.465 4.873 0.592 19562 641 1 2 . 1 1 35 35 SER CA C 35 57.205 57.205 57.504 -0.299 19562 642 1 2 . 1 1 35 35 SER CB C 35 65.393 65.393 64.929 0.464 19562 643 1 2 . 1 1 35 35 SER H H 35 8.776 8.776 8.477 0.299 19562 644 1 2 . 1 1 36 36 GLY N N 36 109.081 109.081 110.846 -1.765 19562 645 1 2 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.493 1.992 19562 646 1 2 . 1 1 36 36 GLY H H 36 9.013 9.013 8.547 0.466 19562 647 1 2 . 1 1 37 37 ILE N N 37 121.560 121.560 118.890 2.670 19562 648 1 2 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.624 0.480 19562 649 1 2 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.342 -1.220 19562 650 1 2 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.736 -1.271 19562 651 1 2 . 1 1 37 37 ILE H H 37 8.779 8.779 8.523 0.256 19562 652 1 2 . 1 1 38 38 MET N N 38 128.553 128.553 122.629 5.924 19562 653 1 2 . 1 1 38 38 MET HA H 38 5.735 5.735 4.833 0.902 19562 654 1 2 . 1 1 38 38 MET CA C 38 53.008 53.008 53.623 -0.615 19562 655 1 2 . 1 1 38 38 MET CB C 38 36.446 36.446 34.572 1.874 19562 656 1 2 . 1 1 38 38 MET H H 38 9.827 9.827 9.314 0.513 19562 657 1 2 . 1 1 39 39 GLU N N 39 129.378 129.378 128.091 1.287 19562 658 1 2 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.507 0.993 19562 659 1 2 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.685 -2.230 19562 660 1 2 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.616 4.920 19562 661 1 2 . 1 1 39 39 GLU H H 39 10.160 10.160 9.043 1.117 19562 662 1 2 . 1 1 40 40 LEU N N 40 127.174 127.174 130.596 -3.422 19562 663 1 2 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.439 0.639 19562 664 1 2 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.615 -0.175 19562 665 1 2 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.256 0.757 19562 666 1 2 . 1 1 40 40 LEU H H 40 8.334 8.334 8.622 -0.288 19562 667 1 2 . 1 1 41 41 THR N N 41 115.971 115.971 116.226 -0.255 19562 668 1 2 . 1 1 41 41 THR HA H 41 5.012 5.012 4.647 0.365 19562 669 1 2 . 1 1 41 41 THR CA C 41 59.113 59.113 59.392 -0.279 19562 670 1 2 . 1 1 41 41 THR CB C 41 69.295 69.295 70.932 -1.637 19562 671 1 2 . 1 1 41 41 THR H H 41 8.682 8.682 7.875 0.807 19562 672 1 2 . 1 1 42 42 ASP N N 42 117.467 117.467 118.034 -0.567 19562 673 1 2 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.252 0.363 19562 674 1 2 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.870 -1.178 19562 675 1 2 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.665 -0.874 19562 676 1 2 . 1 1 42 42 ASP H H 42 8.794 8.794 8.695 0.099 19562 677 1 2 . 1 1 43 43 THR N N 43 104.010 104.010 105.509 -1.499 19562 678 1 2 . 1 1 43 43 THR HA H 43 4.412 4.412 3.498 0.913 19562 679 1 2 . 1 1 43 43 THR CA C 43 61.601 61.601 61.560 0.041 19562 680 1 2 . 1 1 43 43 THR CB C 43 71.362 71.362 70.837 0.525 19562 681 1 2 . 1 1 43 43 THR H H 43 7.763 7.763 7.373 0.390 19562 682 1 2 . 1 1 44 44 GLU N N 44 118.980 118.980 121.794 -2.814 19562 683 1 2 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.048 -0.878 19562 684 1 2 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.947 -1.007 19562 685 1 2 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.345 0.142 19562 686 1 2 . 1 1 44 44 GLU H H 44 7.263 7.263 7.562 -0.299 19562 687 1 2 . 1 1 45 45 LEU N N 45 122.138 122.138 127.766 -5.628 19562 688 1 2 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.843 0.129 19562 689 1 2 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.643 -0.922 19562 690 1 2 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.532 1.706 19562 691 1 2 . 1 1 45 45 LEU H H 45 8.314 8.314 9.328 -1.014 19562 692 1 2 . 1 1 46 46 ILE N N 46 124.244 124.244 126.440 -2.196 19562 693 1 2 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.476 0.248 19562 694 1 2 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.838 1.472 19562 695 1 2 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.248 4.242 19562 696 1 2 . 1 1 46 46 ILE H H 46 9.154 9.154 8.924 0.230 19562 697 1 2 . 1 1 47 47 LEU N N 47 127.510 127.510 131.561 -4.051 19562 698 1 2 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.926 0.340 19562 699 1 2 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.300 -1.593 19562 700 1 2 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.812 2.924 19562 701 1 2 . 1 1 47 47 LEU H H 47 9.378 9.378 8.483 0.895 19562 702 1 2 . 1 1 48 48 TYR N N 48 128.014 128.014 127.381 0.633 19562 703 1 2 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.708 0.326 19562 704 1 2 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.435 0.002 19562 705 1 2 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.832 1.959 19562 706 1 2 . 1 1 48 48 TYR H H 48 9.724 9.724 8.797 0.927 19562 707 1 2 . 1 1 49 49 THR N N 49 115.097 115.097 117.317 -2.220 19562 708 1 2 . 1 1 49 49 THR HA H 49 4.813 4.813 4.480 0.333 19562 709 1 2 . 1 1 49 49 THR CA C 49 60.349 60.349 61.346 -0.997 19562 710 1 2 . 1 1 49 49 THR CB C 49 70.967 70.967 70.251 0.716 19562 711 1 2 . 1 1 49 49 THR H H 49 8.659 8.659 7.994 0.665 19562 712 1 2 . 1 1 50 50 ARG N N 50 120.411 120.411 120.034 0.377 19562 713 1 2 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.269 -0.070 19562 714 1 2 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.368 -0.921 19562 715 1 2 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.485 -0.711 19562 716 1 2 . 1 1 50 50 ARG H H 50 8.649 8.649 8.837 -0.188 19562 717 1 2 . 1 1 51 51 LYS N N 51 117.579 117.579 118.635 -1.056 19562 718 1 2 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.508 -0.345 19562 719 1 2 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.272 0.406 19562 720 1 2 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.547 -1.190 19562 721 1 2 . 1 1 51 51 LYS H H 51 8.406 8.406 8.055 0.351 19562 722 1 2 . 1 1 52 52 ARG N N 52 116.662 116.662 120.504 -3.842 19562 723 1 2 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.339 0.103 19562 724 1 2 . 1 1 52 52 ARG CA C 52 55.305 55.305 55.757 -0.452 19562 725 1 2 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.162 0.588 19562 726 1 2 . 1 1 52 52 ARG H H 52 7.973 7.973 8.021 -0.048 19562 727 1 2 . 1 1 53 53 ASP N N 53 119.760 119.760 115.596 4.164 19562 728 1 2 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.388 0.372 19562 729 1 2 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.800 -0.909 19562 730 1 2 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.403 -0.396 19562 731 1 2 . 1 1 53 53 ASP H H 53 8.066 8.066 7.779 0.287 19562 732 1 2 . 1 1 54 54 SER N N 54 116.756 116.756 115.119 1.637 19562 733 1 2 . 1 1 54 54 SER HA H 54 4.891 4.891 4.374 0.517 19562 734 1 2 . 1 1 54 54 SER CA C 54 57.072 57.072 59.265 -2.193 19562 735 1 2 . 1 1 54 54 SER CB C 54 64.473 64.473 61.650 2.823 19562 736 1 2 . 1 1 54 54 SER H H 54 8.477 8.477 8.335 0.142 19562 737 1 2 . 1 1 55 55 VAL N N 55 122.716 122.716 124.573 -1.857 19562 738 1 2 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.900 0.048 19562 739 1 2 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.235 -2.779 19562 740 1 2 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.947 0.591 19562 741 1 2 . 1 1 55 55 VAL H H 55 8.334 8.334 9.025 -0.691 19562 742 1 2 . 1 1 56 56 LYS N N 56 121.568 121.568 120.353 1.215 19562 743 1 2 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.939 0.332 19562 744 1 2 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.707 -1.016 19562 745 1 2 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.143 0.660 19562 746 1 2 . 1 1 56 56 LYS H H 56 7.501 7.501 7.893 -0.392 19562 747 1 2 . 1 1 57 57 TRP N N 57 123.638 123.638 123.139 0.499 19562 748 1 2 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.814 -0.149 19562 749 1 2 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.384 1.378 19562 750 1 2 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.929 0.621 19562 751 1 2 . 1 1 57 57 TRP H H 57 9.453 9.453 8.856 0.597 19562 752 1 2 . 1 1 58 58 HIS N N 58 125.312 125.312 126.209 -0.897 19562 753 1 2 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.138 -0.599 19562 754 1 2 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.304 -0.120 19562 755 1 2 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.456 -1.131 19562 756 1 2 . 1 1 58 58 HIS H H 58 9.024 9.024 8.806 0.218 19562 757 1 2 . 1 1 59 59 TYR N N 59 126.691 126.691 125.575 1.116 19562 758 1 2 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.201 0.151 19562 759 1 2 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.732 -0.033 19562 760 1 2 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.073 -1.546 19562 761 1 2 . 1 1 59 59 TYR H H 59 8.079 8.079 8.930 -0.851 19562 762 1 2 . 1 1 60 60 LEU N N 60 114.859 114.859 117.592 -2.733 19562 763 1 2 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.367 -0.130 19562 764 1 2 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.335 0.764 19562 765 1 2 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.006 0.548 19562 766 1 2 . 1 1 60 60 LEU H H 60 9.307 9.307 7.926 1.381 19562 767 1 2 . 1 1 61 61 CYS N N 61 114.415 114.415 115.838 -1.423 19562 768 1 2 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.588 0.658 19562 769 1 2 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.066 -0.633 19562 770 1 2 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.953 -2.887 19562 771 1 2 . 1 1 61 61 CYS H H 61 8.421 8.421 7.725 0.696 19562 772 1 2 . 1 1 62 62 LEU N N 62 122.413 122.413 123.793 -1.380 19562 773 1 2 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.208 0.539 19562 774 1 2 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.834 -1.396 19562 775 1 2 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.194 0.845 19562 776 1 2 . 1 1 62 62 LEU H H 62 7.702 7.702 7.434 0.268 19562 777 1 2 . 1 1 63 63 ARG N N 63 122.839 122.839 123.278 -0.439 19562 778 1 2 . 1 1 63 63 ARG H H 63 9.301 9.301 8.897 0.404 19562 779 1 2 . 1 1 64 64 ARG N N 64 111.512 111.512 117.936 -6.424 19562 780 1 2 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.682 0.804 19562 781 1 2 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.251 -1.605 19562 782 1 2 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.696 3.309 19562 783 1 2 . 1 1 64 64 ARG H H 64 7.457 7.457 7.687 -0.230 19562 784 1 2 . 1 1 65 65 TYR N N 65 115.127 115.127 119.748 -4.621 19562 785 1 2 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.067 0.473 19562 786 1 2 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.353 0.836 19562 787 1 2 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.720 -1.206 19562 788 1 2 . 1 1 65 65 TYR H H 65 8.340 8.340 8.446 -0.106 19562 789 1 2 . 1 1 66 66 GLY N N 66 104.938 104.938 108.645 -3.707 19562 790 1 2 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.481 2.419 19562 791 1 2 . 1 1 66 66 GLY H H 66 8.950 8.950 8.717 0.233 19562 792 1 2 . 1 1 67 67 TYR N N 67 117.143 117.143 119.802 -2.659 19562 793 1 2 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.574 -0.012 19562 794 1 2 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.774 -1.289 19562 795 1 2 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.541 1.806 19562 796 1 2 . 1 1 67 67 TYR H H 67 8.022 8.022 7.902 0.120 19562 797 1 2 . 1 1 68 68 ASP N N 68 119.290 119.290 125.330 -6.040 19562 798 1 2 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.148 -0.318 19562 799 1 2 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.663 3.779 19562 800 1 2 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.995 3.021 19562 801 1 2 . 1 1 68 68 ASP H H 68 8.656 8.656 9.126 -0.470 19562 802 1 2 . 1 1 69 69 SER N N 69 119.561 119.561 117.362 2.199 19562 803 1 2 . 1 1 69 69 SER HA H 69 4.040 4.040 4.236 -0.196 19562 804 1 2 . 1 1 69 69 SER CB C 69 59.170 59.170 61.322 -2.151 19562 805 1 2 . 1 1 69 69 SER H H 69 8.957 8.957 8.458 0.499 19562 806 1 2 . 1 1 70 70 ASN N N 70 119.438 119.438 115.852 3.586 19562 807 1 2 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.484 0.648 19562 808 1 2 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.437 -2.449 19562 809 1 2 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.319 -0.041 19562 810 1 2 . 1 1 70 70 ASN H H 70 8.502 8.502 8.629 -0.127 19562 811 1 2 . 1 1 71 71 LEU N N 71 120.481 120.481 118.857 1.624 19562 812 1 2 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.956 0.609 19562 813 1 2 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.064 -0.613 19562 814 1 2 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.594 1.142 19562 815 1 2 . 1 1 71 71 LEU H H 71 8.807 8.807 8.536 0.271 19562 816 1 2 . 1 1 72 72 PHE N N 72 120.815 120.815 126.754 -5.939 19562 817 1 2 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.451 0.076 19562 818 1 2 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.287 -0.103 19562 819 1 2 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.685 1.178 19562 820 1 2 . 1 1 72 72 PHE H H 72 9.439 9.439 9.706 -0.267 19562 821 1 2 . 1 1 73 73 SER N N 73 120.270 120.270 118.574 1.696 19562 822 1 2 . 1 1 73 73 SER HA H 73 5.387 5.387 4.199 1.188 19562 823 1 2 . 1 1 73 73 SER CA C 73 54.994 54.994 55.106 -0.112 19562 824 1 2 . 1 1 73 73 SER CB C 73 66.409 66.409 65.506 0.903 19562 825 1 2 . 1 1 73 73 SER H H 73 8.597 8.597 8.268 0.329 19562 826 1 2 . 1 1 74 74 PHE N N 74 117.157 117.157 116.727 0.430 19562 827 1 2 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.231 0.030 19562 828 1 2 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.914 -0.215 19562 829 1 2 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.194 0.709 19562 830 1 2 . 1 1 74 74 PHE H H 74 8.050 8.050 7.735 0.315 19562 831 1 2 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.838 0.898 19562 832 1 2 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.887 -3.178 19562 833 1 2 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.003 0.817 19562 834 1 2 . 1 1 76 76 SER N N 76 123.656 123.656 123.432 0.224 19562 835 1 2 . 1 1 76 76 SER HA H 76 5.243 5.243 5.162 0.081 19562 836 1 2 . 1 1 76 76 SER CA C 76 56.906 56.906 57.314 -0.408 19562 837 1 2 . 1 1 76 76 SER CB C 76 67.886 67.886 64.151 3.735 19562 838 1 2 . 1 1 76 76 SER H H 76 9.930 9.930 8.708 1.222 19562 839 1 2 . 1 1 77 77 GLY N N 77 105.906 105.906 113.265 -7.359 19562 840 1 2 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.600 -0.600 19562 841 1 2 . 1 1 77 77 GLY H H 77 8.939 8.939 9.111 -0.172 19562 842 1 2 . 1 1 78 78 ARG N N 78 114.676 114.676 119.453 -4.777 19562 843 1 2 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.595 -0.578 19562 844 1 2 . 1 1 78 78 ARG H H 78 9.680 9.680 7.853 1.827 19562 845 1 2 . 1 1 79 79 ARG N N 79 121.801 121.801 119.752 2.049 19562 846 1 2 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.421 0.152 19562 847 1 2 . 1 1 79 79 ARG CA C 79 54.928 54.928 55.912 -0.984 19562 848 1 2 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.411 -3.341 19562 849 1 2 . 1 1 79 79 ARG H H 79 9.389 9.389 8.528 0.861 19562 850 1 2 . 1 1 80 80 CYS N N 80 113.901 113.901 116.595 -2.694 19562 851 1 2 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.634 0.254 19562 852 1 2 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.214 -1.249 19562 853 1 2 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.243 -1.645 19562 854 1 2 . 1 1 80 80 CYS H H 80 7.994 7.994 8.208 -0.214 19562 855 1 2 . 1 1 81 81 GLN N N 81 122.839 122.839 124.417 -1.578 19562 856 1 2 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.962 0.134 19562 857 1 2 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.649 0.290 19562 858 1 2 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.798 -0.458 19562 859 1 2 . 1 1 81 81 GLN H H 81 8.950 8.950 8.867 0.083 19562 860 1 2 . 1 1 82 82 THR N N 82 107.297 107.297 108.598 -1.301 19562 861 1 2 . 1 1 82 82 THR HA H 82 4.207 4.207 4.404 -0.197 19562 862 1 2 . 1 1 82 82 THR CA C 82 63.147 63.147 60.836 2.312 19562 863 1 2 . 1 1 82 82 THR CB C 82 70.591 70.591 68.577 2.014 19562 864 1 2 . 1 1 82 82 THR H H 82 8.345 8.345 8.166 0.179 19562 865 1 2 . 1 1 83 83 GLY N N 83 112.681 112.681 109.835 2.846 19562 866 1 2 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.858 -1.864 19562 867 1 2 . 1 1 83 83 GLY H H 83 7.820 7.820 7.479 0.341 19562 868 1 2 . 1 1 84 84 GLN N N 84 119.972 119.972 117.525 2.447 19562 869 1 2 . 1 1 84 84 GLN H H 84 8.622 8.622 8.486 0.136 19562 870 1 2 . 1 1 85 85 GLY N N 85 111.040 111.040 105.369 5.671 19562 871 1 2 . 1 1 85 85 GLY H H 85 8.056 8.056 8.016 0.040 19562 872 1 2 . 1 1 86 86 ILE N N 86 121.645 121.645 125.004 -3.359 19562 873 1 2 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.175 0.111 19562 874 1 2 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.113 -1.951 19562 875 1 2 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.606 1.936 19562 876 1 2 . 1 1 86 86 ILE H H 86 8.021 8.021 8.355 -0.334 19562 877 1 2 . 1 1 87 87 PHE N N 87 123.890 123.890 130.059 -6.169 19562 878 1 2 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.511 0.115 19562 879 1 2 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.846 0.098 19562 880 1 2 . 1 1 87 87 PHE CB C 87 42.003 42.003 40.651 1.352 19562 881 1 2 . 1 1 87 87 PHE H H 87 8.476 8.476 8.811 -0.335 19562 882 1 2 . 1 1 88 88 ALA N N 88 124.824 124.824 128.975 -4.151 19562 883 1 2 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.964 1.317 19562 884 1 2 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.706 0.498 19562 885 1 2 . 1 1 88 88 ALA CB C 88 22.335 22.335 20.913 1.422 19562 886 1 2 . 1 1 88 88 ALA H H 88 9.149 9.149 7.993 1.156 19562 887 1 2 . 1 1 89 89 PHE N N 89 118.047 118.047 118.518 -0.471 19562 888 1 2 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.839 0.606 19562 889 1 2 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.823 -0.118 19562 890 1 2 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.849 0.647 19562 891 1 2 . 1 1 89 89 PHE H H 89 9.423 9.423 8.947 0.476 19562 892 1 2 . 1 1 90 90 LYS N N 90 122.937 122.937 124.664 -1.727 19562 893 1 2 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.559 0.946 19562 894 1 2 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.221 -1.393 19562 895 1 2 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.683 2.330 19562 896 1 2 . 1 1 90 90 LYS H H 90 9.943 9.943 9.088 0.855 19562 897 1 2 . 1 1 91 91 CYS N N 91 126.115 126.115 123.506 2.609 19562 898 1 2 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.573 0.180 19562 899 1 2 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.166 1.009 19562 900 1 2 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.337 -0.528 19562 901 1 2 . 1 1 91 91 CYS H H 91 9.689 9.689 8.442 1.247 19562 902 1 2 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.135 0.296 19562 903 1 2 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.396 0.314 19562 904 1 2 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.691 -0.828 19562 905 1 2 . 1 1 93 93 ARG N N 93 117.248 117.248 118.656 -1.408 19562 906 1 2 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.270 0.742 19562 907 1 2 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.469 0.488 19562 908 1 2 . 1 1 93 93 ARG CB C 93 30.803 30.803 28.003 2.800 19562 909 1 2 . 1 1 93 93 ARG H H 93 7.964 7.964 7.579 0.385 19562 910 1 2 . 1 1 94 94 ALA N N 94 122.369 122.369 124.549 -2.180 19562 911 1 2 . 1 1 94 94 ALA HA H 94 3.523 3.523 4.027 -0.504 19562 912 1 2 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.520 -0.548 19562 913 1 2 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.738 -0.642 19562 914 1 2 . 1 1 94 94 ALA H H 94 7.310 7.310 8.248 -0.938 19562 915 1 2 . 1 1 95 95 GLU N N 95 116.205 116.205 117.798 -1.593 19562 916 1 2 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.838 -0.358 19562 917 1 2 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.243 -0.547 19562 918 1 2 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.567 1.494 19562 919 1 2 . 1 1 95 95 GLU H H 95 8.376 8.376 8.757 -0.381 19562 920 1 2 . 1 1 96 96 GLU N N 96 119.188 119.188 120.672 -1.484 19562 921 1 2 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.070 -0.103 19562 922 1 2 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.346 0.554 19562 923 1 2 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.086 0.944 19562 924 1 2 . 1 1 96 96 GLU H H 96 7.418 7.418 7.900 -0.482 19562 925 1 2 . 1 1 97 97 LEU N N 97 123.654 123.654 120.783 2.871 19562 926 1 2 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.136 -1.122 19562 927 1 2 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.471 0.248 19562 928 1 2 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.865 -0.852 19562 929 1 2 . 1 1 97 97 LEU H H 97 7.847 7.847 8.561 -0.714 19562 930 1 2 . 1 1 98 98 PHE N N 98 118.746 118.746 119.405 -0.659 19562 931 1 2 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.317 -0.524 19562 932 1 2 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.492 0.204 19562 933 1 2 . 1 1 98 98 PHE H H 98 8.076 8.076 9.125 -1.049 19562 934 1 2 . 1 1 99 99 ASN N N 99 117.017 117.017 118.962 -1.945 19562 935 1 2 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.230 -0.010 19562 936 1 2 . 1 1 99 99 ASN CA C 99 55.466 55.466 56.205 -0.739 19562 937 1 2 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.450 -1.169 19562 938 1 2 . 1 1 99 99 ASN H H 99 8.622 8.622 8.174 0.448 19562 939 1 2 . 1 1 100 100 MET N N 100 121.914 121.914 119.941 1.973 19562 940 1 2 . 1 1 100 100 MET HA H 100 4.061 4.061 4.030 0.031 19562 941 1 2 . 1 1 100 100 MET CA C 100 58.699 58.699 59.145 -0.446 19562 942 1 2 . 1 1 100 100 MET CB C 100 32.048 32.048 32.643 -0.595 19562 943 1 2 . 1 1 100 100 MET H H 100 8.316 8.316 8.501 -0.185 19562 944 1 2 . 1 1 101 101 LEU N N 101 121.094 121.094 120.472 0.622 19562 945 1 2 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.090 -0.510 19562 946 1 2 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.078 -0.652 19562 947 1 2 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.434 -0.334 19562 948 1 2 . 1 1 101 101 LEU H H 101 8.047 8.047 8.745 -0.698 19562 949 1 2 . 1 1 102 102 GLN N N 102 116.417 116.417 117.458 -1.041 19562 950 1 2 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.089 -0.175 19562 951 1 2 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.852 -0.406 19562 952 1 2 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.208 0.479 19562 953 1 2 . 1 1 102 102 GLN H H 102 8.195 8.195 8.541 -0.346 19562 954 1 2 . 1 1 103 103 GLU N N 103 119.096 119.096 120.143 -1.047 19562 955 1 2 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.097 -0.189 19562 956 1 2 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.843 0.075 19562 957 1 2 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.410 -0.349 19562 958 1 2 . 1 1 103 103 GLU H H 103 7.635 7.635 8.411 -0.776 19562 959 1 2 . 1 1 104 104 ILE N N 104 120.803 120.803 121.556 -0.753 19562 960 1 2 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.551 0.050 19562 961 1 2 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.073 -1.363 19562 962 1 2 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.798 0.252 19562 963 1 2 . 1 1 104 104 ILE H H 104 7.965 7.965 8.830 -0.865 19562 964 1 2 . 1 1 105 105 MET N N 105 117.016 117.016 118.684 -1.668 19562 965 1 2 . 1 1 105 105 MET HA H 105 4.020 4.020 4.146 -0.126 19562 966 1 2 . 1 1 105 105 MET CA C 105 57.384 57.384 59.756 -2.372 19562 967 1 2 . 1 1 105 105 MET H H 105 8.145 8.145 8.606 -0.461 19562 968 1 2 . 1 1 106 106 GLN N N 106 116.150 116.150 116.925 -0.775 19562 969 1 2 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.096 0.107 19562 970 1 2 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.373 -1.732 19562 971 1 2 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.589 -0.476 19562 972 1 2 . 1 1 106 106 GLN H H 106 7.930 7.930 8.186 -0.256 19562 973 1 2 . 1 1 107 107 ASN N N 107 117.360 117.360 113.605 3.755 19562 974 1 2 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.787 -0.067 19562 975 1 2 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.132 -0.635 19562 976 1 2 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.923 -1.364 19562 977 1 2 . 1 1 107 107 ASN H H 107 7.872 7.872 8.295 -0.423 19562 978 1 2 . 1 1 108 108 ASN N N 108 118.611 118.611 117.803 0.808 19562 979 1 2 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.845 -0.085 19562 980 1 2 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.415 -1.715 19562 981 1 2 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.146 -1.628 19562 982 1 2 . 1 1 108 108 ASN H H 108 8.144 8.144 8.350 -0.206 19562 983 1 2 . 1 1 109 109 SER N N 109 115.704 115.704 112.495 3.209 19562 984 1 2 . 1 1 109 109 SER HA H 109 4.519 4.519 4.068 0.451 19562 985 1 2 . 1 1 109 109 SER CA C 109 57.700 57.700 60.744 -3.044 19562 986 1 2 . 1 1 109 109 SER CB C 109 63.150 63.150 63.065 0.086 19562 987 1 2 . 1 1 109 109 SER H H 109 8.215 8.215 7.912 0.303 19562 988 1 2 . 1 1 110 110 ILE N N 110 121.954 121.954 121.500 0.454 19562 989 1 2 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.739 0.473 19562 990 1 2 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.244 -1.358 19562 991 1 2 . 1 1 110 110 ILE CB C 110 38.235 38.235 37.539 0.696 19562 992 1 2 . 1 1 110 110 ILE H H 110 8.061 8.061 7.916 0.145 19562 993 1 2 . 1 1 111 111 ASN N N 111 122.386 122.386 124.488 -2.102 19562 994 1 2 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.002 -0.220 19562 995 1 2 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.305 0.429 19562 996 1 2 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.616 -1.816 19562 997 1 2 . 1 1 111 111 ASN H H 111 8.376 8.376 8.249 0.127 19562 998 1 2 . 1 1 112 112 VAL N N 112 120.830 120.830 123.302 -2.472 19562 999 1 2 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.127 0.058 19562 1000 1 2 . 1 1 112 112 VAL CA C 112 61.660 61.660 63.410 -1.750 19562 1001 1 2 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.138 0.193 19562 1002 1 2 . 1 1 112 112 VAL H H 112 8.067 8.067 8.537 -0.470 19562 1003 1 2 . 1 1 113 113 VAL N N 113 124.249 124.249 117.369 6.880 19562 1004 1 2 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.057 0.058 19562 1005 1 2 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.202 0.248 19562 1006 1 2 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.740 -1.395 19562 1007 1 2 . 1 1 113 113 VAL H H 113 8.167 8.167 7.122 1.044 19562 1008 1 2 . 1 1 114 114 GLU N N 114 125.288 125.288 119.557 5.731 19562 1009 1 2 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.079 0.230 19562 1010 1 2 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.161 -1.471 19562 1011 1 2 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.205 0.845 19562 1012 1 2 . 1 1 114 114 GLU H H 114 8.405 8.405 8.296 0.109 19562 1013 1 2 . 1 1 115 115 GLU N N 115 123.990 123.990 122.556 1.434 19562 1014 1 2 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.397 0.166 19562 1015 1 2 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.765 -1.040 19562 1016 1 2 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.206 -0.771 19562 1017 1 2 . 1 1 115 115 GLU H H 115 8.392 8.392 8.358 0.034 19562 1018 1 2 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.433 -0.003 19562 1019 1 2 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.451 0.219 19562 1020 1 2 . 1 1 116 116 PRO CB C 116 31.655 31.655 29.580 2.075 19562 1021 1 2 . 1 1 117 117 VAL N N 117 121.339 121.339 115.120 6.219 19562 1022 1 2 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.625 0.451 19562 1023 1 2 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.559 -0.569 19562 1024 1 2 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.049 0.771 19562 1025 1 2 . 1 1 117 117 VAL H H 117 8.266 8.266 8.386 -0.120 19562 1026 1 2 . 1 1 118 118 VAL N N 118 124.762 124.762 126.939 -2.177 19562 1027 1 2 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.928 0.188 19562 1028 1 2 . 1 1 118 118 VAL H H 118 8.202 8.202 8.308 -0.106 19562 1029 1 2 . 1 1 119 119 GLU N N 119 125.304 125.304 126.170 -0.866 19562 1030 1 2 . 1 1 119 119 GLU H H 119 8.479 8.479 8.657 -0.178 19562 1031 1 2 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.366 0.029 19562 1032 1 2 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.553 -1.203 19562 1033 1 2 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.630 -0.065 19562 1034 1 2 . 1 1 121 121 ASN N N 121 120.465 120.465 118.492 1.973 19562 1035 1 2 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.506 0.248 19562 1036 1 2 . 1 1 121 121 ASN H H 121 8.536 8.536 8.670 -0.134 19562 1037 1 3 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.836 -0.217 19562 1038 1 3 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.106 0.042 19562 1039 1 3 . 1 1 9 9 HIS CB C 9 29.609 29.609 31.377 -1.768 19562 1040 1 3 . 1 1 10 10 MET N N 10 120.964 120.964 120.029 0.935 19562 1041 1 3 . 1 1 10 10 MET HA H 10 4.395 4.395 3.950 0.445 19562 1042 1 3 . 1 1 10 10 MET CA C 10 55.153 55.153 58.356 -3.203 19562 1043 1 3 . 1 1 10 10 MET CB C 10 32.293 32.293 32.924 -0.631 19562 1044 1 3 . 1 1 10 10 MET H H 10 8.274 8.274 8.113 0.161 19562 1045 1 3 . 1 1 11 11 ASP N N 11 120.989 120.989 114.037 6.952 19562 1046 1 3 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.604 0.142 19562 1047 1 3 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.299 -0.099 19562 1048 1 3 . 1 1 11 11 ASP CB C 11 40.200 40.200 42.153 -1.953 19562 1049 1 3 . 1 1 11 11 ASP H H 11 8.281 8.281 7.915 0.366 19562 1050 1 3 . 1 1 12 12 THR N N 12 113.244 113.244 115.903 -2.659 19562 1051 1 3 . 1 1 12 12 THR HA H 12 4.312 4.312 4.327 -0.015 19562 1052 1 3 . 1 1 12 12 THR CA C 12 61.218 61.218 61.858 -0.639 19562 1053 1 3 . 1 1 12 12 THR CB C 12 69.316 69.316 67.356 1.960 19562 1054 1 3 . 1 1 12 12 THR H H 12 7.979 7.979 8.033 -0.054 19562 1055 1 3 . 1 1 13 13 VAL N N 13 123.579 123.579 124.982 -1.403 19562 1056 1 3 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.049 0.355 19562 1057 1 3 . 1 1 13 13 VAL CA C 13 59.234 59.234 61.408 -2.174 19562 1058 1 3 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.679 -0.380 19562 1059 1 3 . 1 1 13 13 VAL H H 13 8.021 8.021 8.141 -0.120 19562 1060 1 3 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.419 0.008 19562 1061 1 3 . 1 1 14 14 PRO CA C 14 62.900 62.900 64.720 -1.820 19562 1062 1 3 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.324 -0.534 19562 1063 1 3 . 1 1 15 15 ASP N N 15 120.556 120.556 114.986 5.570 19562 1064 1 3 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.526 -0.074 19562 1065 1 3 . 1 1 15 15 ASP CA C 15 54.421 54.421 54.853 -0.432 19562 1066 1 3 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.139 -0.581 19562 1067 1 3 . 1 1 15 15 ASP H H 15 8.471 8.471 8.448 0.023 19562 1068 1 3 . 1 1 16 16 ASN N N 16 116.991 116.991 113.999 2.992 19562 1069 1 3 . 1 1 16 16 ASN HA H 16 4.604 4.604 5.033 -0.429 19562 1070 1 3 . 1 1 16 16 ASN CA C 16 52.282 52.282 53.140 -0.858 19562 1071 1 3 . 1 1 16 16 ASN CB C 16 37.731 37.731 38.779 -1.048 19562 1072 1 3 . 1 1 16 16 ASN H H 16 8.111 8.111 8.166 -0.055 19562 1073 1 3 . 1 1 17 17 HIS N N 17 119.335 119.335 118.116 1.219 19562 1074 1 3 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.238 0.174 19562 1075 1 3 . 1 1 17 17 HIS CA C 17 56.436 56.436 59.365 -2.929 19562 1076 1 3 . 1 1 17 17 HIS CB C 17 30.009 30.009 29.840 0.169 19562 1077 1 3 . 1 1 17 17 HIS H H 17 8.014 8.014 8.225 -0.211 19562 1078 1 3 . 1 1 18 18 ARG N N 18 122.269 122.269 118.264 4.005 19562 1079 1 3 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.892 0.091 19562 1080 1 3 . 1 1 18 18 ARG CA C 18 57.419 57.419 56.480 0.939 19562 1081 1 3 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.302 -0.521 19562 1082 1 3 . 1 1 18 18 ARG H H 18 8.209 8.209 7.818 0.391 19562 1083 1 3 . 1 1 19 19 ASN N N 19 114.495 114.495 116.140 -1.645 19562 1084 1 3 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.074 0.641 19562 1085 1 3 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.202 -1.479 19562 1086 1 3 . 1 1 19 19 ASN CB C 19 38.034 38.034 37.985 0.049 19562 1087 1 3 . 1 1 19 19 ASN H H 19 8.565 8.565 8.165 0.400 19562 1088 1 3 . 1 1 20 20 LYS N N 20 117.932 117.932 121.896 -3.964 19562 1089 1 3 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.147 1.110 19562 1090 1 3 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.344 -0.608 19562 1091 1 3 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.667 3.348 19562 1092 1 3 . 1 1 20 20 LYS H H 20 7.040 7.040 6.979 0.061 19562 1093 1 3 . 1 1 21 21 PHE N N 21 120.620 120.620 128.072 -7.452 19562 1094 1 3 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.563 -0.054 19562 1095 1 3 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.466 1.455 19562 1096 1 3 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.024 1.174 19562 1097 1 3 . 1 1 21 21 PHE H H 21 9.389 9.389 8.175 1.214 19562 1098 1 3 . 1 1 22 22 LYS N N 22 125.637 125.637 127.510 -1.873 19562 1099 1 3 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.414 0.323 19562 1100 1 3 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.346 0.625 19562 1101 1 3 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.069 0.237 19562 1102 1 3 . 1 1 22 22 LYS H H 22 9.258 9.258 8.966 0.292 19562 1103 1 3 . 1 1 23 23 VAL N N 23 118.282 118.282 118.907 -0.625 19562 1104 1 3 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.441 1.186 19562 1105 1 3 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.379 -0.994 19562 1106 1 3 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.979 2.537 19562 1107 1 3 . 1 1 23 23 VAL H H 23 8.672 8.672 8.078 0.594 19562 1108 1 3 . 1 1 24 24 ILE N N 24 120.397 120.397 118.841 1.556 19562 1109 1 3 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.482 0.331 19562 1110 1 3 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.875 0.286 19562 1111 1 3 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.611 2.457 19562 1112 1 3 . 1 1 24 24 ILE H H 24 8.824 8.824 8.245 0.579 19562 1113 1 3 . 1 1 25 25 ASN N N 25 127.655 127.655 127.115 0.540 19562 1114 1 3 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.765 -0.264 19562 1115 1 3 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.759 0.442 19562 1116 1 3 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.820 0.700 19562 1117 1 3 . 1 1 25 25 ASN H H 25 9.232 9.232 8.503 0.729 19562 1118 1 3 . 1 1 26 26 VAL N N 26 116.322 116.322 117.579 -1.257 19562 1119 1 3 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.322 0.220 19562 1120 1 3 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.604 -1.832 19562 1121 1 3 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.826 0.444 19562 1122 1 3 . 1 1 26 26 VAL H H 26 7.680 7.680 7.486 0.194 19562 1123 1 3 . 1 1 27 27 ASP N N 27 117.000 117.000 125.664 -8.664 19562 1124 1 3 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.872 -0.779 19562 1125 1 3 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.186 -2.224 19562 1126 1 3 . 1 1 27 27 ASP H H 27 7.500 7.500 8.204 -0.704 19562 1127 1 3 . 1 1 28 28 ASP N N 28 112.540 112.540 124.703 -12.163 19562 1128 1 3 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.301 -0.130 19562 1129 1 3 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.083 0.215 19562 1130 1 3 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.974 -0.890 19562 1131 1 3 . 1 1 28 28 ASP H H 28 7.922 7.922 8.930 -1.008 19562 1132 1 3 . 1 1 29 29 ASP N N 29 115.319 115.319 116.641 -1.322 19562 1133 1 3 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.661 0.084 19562 1134 1 3 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.796 -0.345 19562 1135 1 3 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.461 0.543 19562 1136 1 3 . 1 1 29 29 ASP H H 29 7.809 7.809 7.996 -0.187 19562 1137 1 3 . 1 1 30 30 GLY N N 30 108.887 108.887 109.204 -0.317 19562 1138 1 3 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.359 -0.870 19562 1139 1 3 . 1 1 30 30 GLY H H 30 8.196 8.196 8.242 -0.046 19562 1140 1 3 . 1 1 31 31 ASN N N 31 119.906 119.906 118.606 1.300 19562 1141 1 3 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.761 -0.278 19562 1142 1 3 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.070 1.131 19562 1143 1 3 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.247 -1.636 19562 1144 1 3 . 1 1 31 31 ASN H H 31 8.643 8.643 8.150 0.493 19562 1145 1 3 . 1 1 32 32 GLU N N 32 119.114 119.114 125.082 -5.968 19562 1146 1 3 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.089 -0.190 19562 1147 1 3 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.514 -0.053 19562 1148 1 3 . 1 1 32 32 GLU H H 32 8.525 8.525 8.900 -0.375 19562 1149 1 3 . 1 1 33 33 LEU N N 33 126.117 126.117 123.098 3.019 19562 1150 1 3 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.472 0.137 19562 1151 1 3 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.098 -1.173 19562 1152 1 3 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.657 -0.901 19562 1153 1 3 . 1 1 33 33 LEU H H 33 8.817 8.817 8.277 0.540 19562 1154 1 3 . 1 1 34 34 GLY N N 34 108.970 108.970 105.267 3.703 19562 1155 1 3 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.365 0.623 19562 1156 1 3 . 1 1 34 34 GLY H H 34 8.228 8.228 7.880 0.348 19562 1157 1 3 . 1 1 35 35 SER N N 35 118.388 118.388 118.386 0.002 19562 1158 1 3 . 1 1 35 35 SER HA H 35 5.465 5.465 4.527 0.938 19562 1159 1 3 . 1 1 35 35 SER CA C 35 57.205 57.205 57.842 -0.637 19562 1160 1 3 . 1 1 35 35 SER CB C 35 65.393 65.393 63.814 1.579 19562 1161 1 3 . 1 1 35 35 SER H H 35 8.776 8.776 8.341 0.435 19562 1162 1 3 . 1 1 36 36 GLY N N 36 109.081 109.081 110.025 -0.944 19562 1163 1 3 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.263 2.222 19562 1164 1 3 . 1 1 36 36 GLY H H 36 9.013 9.013 7.621 1.392 19562 1165 1 3 . 1 1 37 37 ILE N N 37 121.560 121.560 118.947 2.613 19562 1166 1 3 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.529 0.575 19562 1167 1 3 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.430 -1.308 19562 1168 1 3 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.402 -0.937 19562 1169 1 3 . 1 1 37 37 ILE H H 37 8.779 8.779 8.604 0.175 19562 1170 1 3 . 1 1 38 38 MET N N 38 128.553 128.553 122.565 5.988 19562 1171 1 3 . 1 1 38 38 MET HA H 38 5.735 5.735 4.797 0.938 19562 1172 1 3 . 1 1 38 38 MET CA C 38 53.008 53.008 53.651 -0.643 19562 1173 1 3 . 1 1 38 38 MET CB C 38 36.446 36.446 34.458 1.988 19562 1174 1 3 . 1 1 38 38 MET H H 38 9.827 9.827 9.207 0.620 19562 1175 1 3 . 1 1 39 39 GLU N N 39 129.378 129.378 127.836 1.542 19562 1176 1 3 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.519 0.981 19562 1177 1 3 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.537 -2.082 19562 1178 1 3 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.627 4.909 19562 1179 1 3 . 1 1 39 39 GLU H H 39 10.160 10.160 9.133 1.027 19562 1180 1 3 . 1 1 40 40 LEU N N 40 127.174 127.174 130.232 -3.058 19562 1181 1 3 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.401 0.677 19562 1182 1 3 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.595 -0.155 19562 1183 1 3 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.147 0.866 19562 1184 1 3 . 1 1 40 40 LEU H H 40 8.334 8.334 8.568 -0.234 19562 1185 1 3 . 1 1 41 41 THR N N 41 115.971 115.971 113.905 2.066 19562 1186 1 3 . 1 1 41 41 THR HA H 41 5.012 5.012 4.674 0.338 19562 1187 1 3 . 1 1 41 41 THR CA C 41 59.113 59.113 59.205 -0.092 19562 1188 1 3 . 1 1 41 41 THR CB C 41 69.295 69.295 71.714 -2.419 19562 1189 1 3 . 1 1 41 41 THR H H 41 8.682 8.682 7.770 0.912 19562 1190 1 3 . 1 1 42 42 ASP N N 42 117.467 117.467 118.442 -0.975 19562 1191 1 3 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.102 0.513 19562 1192 1 3 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.687 -0.994 19562 1193 1 3 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.226 -0.435 19562 1194 1 3 . 1 1 42 42 ASP H H 42 8.794 8.794 8.890 -0.096 19562 1195 1 3 . 1 1 43 43 THR N N 43 104.010 104.010 107.226 -3.216 19562 1196 1 3 . 1 1 43 43 THR HA H 43 4.412 4.412 3.516 0.896 19562 1197 1 3 . 1 1 43 43 THR CA C 43 61.601 61.601 61.707 -0.106 19562 1198 1 3 . 1 1 43 43 THR CB C 43 71.362 71.362 71.013 0.349 19562 1199 1 3 . 1 1 43 43 THR H H 43 7.763 7.763 7.439 0.324 19562 1200 1 3 . 1 1 44 44 GLU N N 44 118.980 118.980 121.767 -2.787 19562 1201 1 3 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.987 -0.817 19562 1202 1 3 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.734 -0.794 19562 1203 1 3 . 1 1 44 44 GLU CB C 44 33.487 33.487 32.912 0.575 19562 1204 1 3 . 1 1 44 44 GLU H H 44 7.263 7.263 7.499 -0.236 19562 1205 1 3 . 1 1 45 45 LEU N N 45 122.138 122.138 127.467 -5.329 19562 1206 1 3 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.756 0.216 19562 1207 1 3 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.652 -0.931 19562 1208 1 3 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.527 1.711 19562 1209 1 3 . 1 1 45 45 LEU H H 45 8.314 8.314 9.275 -0.961 19562 1210 1 3 . 1 1 46 46 ILE N N 46 124.244 124.244 126.550 -2.306 19562 1211 1 3 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.464 0.260 19562 1212 1 3 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.778 1.532 19562 1213 1 3 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.189 4.301 19562 1214 1 3 . 1 1 46 46 ILE H H 46 9.154 9.154 9.049 0.105 19562 1215 1 3 . 1 1 47 47 LEU N N 47 127.510 127.510 131.319 -3.809 19562 1216 1 3 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.914 0.352 19562 1217 1 3 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.344 -1.638 19562 1218 1 3 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.925 2.811 19562 1219 1 3 . 1 1 47 47 LEU H H 47 9.378 9.378 8.366 1.012 19562 1220 1 3 . 1 1 48 48 TYR N N 48 128.014 128.014 127.259 0.755 19562 1221 1 3 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.706 0.328 19562 1222 1 3 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.549 -0.112 19562 1223 1 3 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.954 1.837 19562 1224 1 3 . 1 1 48 48 TYR H H 48 9.724 9.724 8.822 0.902 19562 1225 1 3 . 1 1 49 49 THR N N 49 115.097 115.097 117.916 -2.819 19562 1226 1 3 . 1 1 49 49 THR HA H 49 4.813 4.813 4.433 0.380 19562 1227 1 3 . 1 1 49 49 THR CA C 49 60.349 60.349 61.060 -0.711 19562 1228 1 3 . 1 1 49 49 THR CB C 49 70.967 70.967 70.150 0.817 19562 1229 1 3 . 1 1 49 49 THR H H 49 8.659 8.659 7.934 0.725 19562 1230 1 3 . 1 1 50 50 ARG N N 50 120.411 120.411 119.936 0.475 19562 1231 1 3 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.254 -0.055 19562 1232 1 3 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.566 -1.119 19562 1233 1 3 . 1 1 50 50 ARG CB C 50 29.774 29.774 29.907 -0.133 19562 1234 1 3 . 1 1 50 50 ARG H H 50 8.649 8.649 8.784 -0.135 19562 1235 1 3 . 1 1 51 51 LYS N N 51 117.579 117.579 117.741 -0.162 19562 1236 1 3 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.488 -0.325 19562 1237 1 3 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.158 0.520 19562 1238 1 3 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.974 -1.617 19562 1239 1 3 . 1 1 51 51 LYS H H 51 8.406 8.406 8.018 0.388 19562 1240 1 3 . 1 1 52 52 ARG N N 52 116.662 116.662 121.564 -4.902 19562 1241 1 3 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.274 0.168 19562 1242 1 3 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.630 -1.325 19562 1243 1 3 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.828 0.922 19562 1244 1 3 . 1 1 52 52 ARG H H 52 7.973 7.973 7.988 -0.015 19562 1245 1 3 . 1 1 53 53 ASP N N 53 119.760 119.760 115.106 4.654 19562 1246 1 3 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.355 0.405 19562 1247 1 3 . 1 1 53 53 ASP CA C 53 53.891 53.891 55.022 -1.131 19562 1248 1 3 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.318 -0.311 19562 1249 1 3 . 1 1 53 53 ASP H H 53 8.066 8.066 7.788 0.278 19562 1250 1 3 . 1 1 54 54 SER N N 54 116.756 116.756 115.526 1.230 19562 1251 1 3 . 1 1 54 54 SER HA H 54 4.891 4.891 4.259 0.632 19562 1252 1 3 . 1 1 54 54 SER CA C 54 57.072 57.072 59.479 -2.407 19562 1253 1 3 . 1 1 54 54 SER CB C 54 64.473 64.473 61.695 2.778 19562 1254 1 3 . 1 1 54 54 SER H H 54 8.477 8.477 8.309 0.168 19562 1255 1 3 . 1 1 55 55 VAL N N 55 122.716 122.716 124.955 -2.239 19562 1256 1 3 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.877 0.071 19562 1257 1 3 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.074 -2.618 19562 1258 1 3 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.490 1.048 19562 1259 1 3 . 1 1 55 55 VAL H H 55 8.334 8.334 8.855 -0.521 19562 1260 1 3 . 1 1 56 56 LYS N N 56 121.568 121.568 118.804 2.764 19562 1261 1 3 . 1 1 56 56 LYS HA H 56 5.271 5.271 5.021 0.250 19562 1262 1 3 . 1 1 56 56 LYS CA C 56 53.691 53.691 53.827 -0.136 19562 1263 1 3 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.256 0.547 19562 1264 1 3 . 1 1 56 56 LYS H H 56 7.501 7.501 8.249 -0.748 19562 1265 1 3 . 1 1 57 57 TRP N N 57 123.638 123.638 121.840 1.798 19562 1266 1 3 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.869 -0.204 19562 1267 1 3 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.338 1.424 19562 1268 1 3 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.829 -0.279 19562 1269 1 3 . 1 1 57 57 TRP H H 57 9.453 9.453 8.773 0.680 19562 1270 1 3 . 1 1 58 58 HIS N N 58 125.312 125.312 126.351 -1.039 19562 1271 1 3 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.162 -0.623 19562 1272 1 3 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.308 -0.124 19562 1273 1 3 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.409 -1.084 19562 1274 1 3 . 1 1 58 58 HIS H H 58 9.024 9.024 8.820 0.204 19562 1275 1 3 . 1 1 59 59 TYR N N 59 126.691 126.691 125.569 1.122 19562 1276 1 3 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.188 0.164 19562 1277 1 3 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.667 0.032 19562 1278 1 3 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.151 -1.624 19562 1279 1 3 . 1 1 59 59 TYR H H 59 8.079 8.079 8.905 -0.826 19562 1280 1 3 . 1 1 60 60 LEU N N 60 114.859 114.859 119.425 -4.566 19562 1281 1 3 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.332 -0.095 19562 1282 1 3 . 1 1 60 60 LEU CA C 60 56.099 56.099 56.081 0.018 19562 1283 1 3 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.148 0.406 19562 1284 1 3 . 1 1 60 60 LEU H H 60 9.307 9.307 8.112 1.195 19562 1285 1 3 . 1 1 61 61 CYS N N 61 114.415 114.415 116.922 -2.507 19562 1286 1 3 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.606 0.640 19562 1287 1 3 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.466 -1.033 19562 1288 1 3 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.195 -2.129 19562 1289 1 3 . 1 1 61 61 CYS H H 61 8.421 8.421 7.805 0.616 19562 1290 1 3 . 1 1 62 62 LEU N N 62 122.413 122.413 123.872 -1.459 19562 1291 1 3 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.287 0.460 19562 1292 1 3 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.956 -1.518 19562 1293 1 3 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.109 0.930 19562 1294 1 3 . 1 1 62 62 LEU H H 62 7.702 7.702 7.432 0.270 19562 1295 1 3 . 1 1 63 63 ARG N N 63 122.839 122.839 121.641 1.198 19562 1296 1 3 . 1 1 63 63 ARG H H 63 9.301 9.301 8.892 0.409 19562 1297 1 3 . 1 1 64 64 ARG N N 64 111.512 111.512 117.630 -6.118 19562 1298 1 3 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.672 0.814 19562 1299 1 3 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.286 -1.641 19562 1300 1 3 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.973 3.032 19562 1301 1 3 . 1 1 64 64 ARG H H 64 7.457 7.457 7.618 -0.161 19562 1302 1 3 . 1 1 65 65 TYR N N 65 115.127 115.127 119.849 -4.722 19562 1303 1 3 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.123 0.417 19562 1304 1 3 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.300 0.889 19562 1305 1 3 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.845 -1.331 19562 1306 1 3 . 1 1 65 65 TYR H H 65 8.340 8.340 8.429 -0.089 19562 1307 1 3 . 1 1 66 66 GLY N N 66 104.938 104.938 108.696 -3.758 19562 1308 1 3 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.605 2.296 19562 1309 1 3 . 1 1 66 66 GLY H H 66 8.950 8.950 8.631 0.319 19562 1310 1 3 . 1 1 67 67 TYR N N 67 117.143 117.143 119.994 -2.851 19562 1311 1 3 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.521 0.041 19562 1312 1 3 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.006 -1.521 19562 1313 1 3 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.263 2.084 19562 1314 1 3 . 1 1 67 67 TYR H H 67 8.022 8.022 7.966 0.056 19562 1315 1 3 . 1 1 68 68 ASP N N 68 119.290 119.290 128.318 -9.028 19562 1316 1 3 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.090 -0.260 19562 1317 1 3 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.604 1.838 19562 1318 1 3 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.213 3.803 19562 1319 1 3 . 1 1 68 68 ASP H H 68 8.656 8.656 8.985 -0.329 19562 1320 1 3 . 1 1 69 69 SER N N 69 119.561 119.561 122.916 -3.355 19562 1321 1 3 . 1 1 69 69 SER HA H 69 4.040 4.040 4.155 -0.115 19562 1322 1 3 . 1 1 69 69 SER CB C 69 59.170 59.170 62.179 -3.009 19562 1323 1 3 . 1 1 69 69 SER H H 69 8.957 8.957 8.640 0.317 19562 1324 1 3 . 1 1 70 70 ASN N N 70 119.438 119.438 110.070 9.368 19562 1325 1 3 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.523 0.609 19562 1326 1 3 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.374 -2.386 19562 1327 1 3 . 1 1 70 70 ASN CB C 70 37.278 37.278 36.992 0.286 19562 1328 1 3 . 1 1 70 70 ASN H H 70 8.502 8.502 8.808 -0.306 19562 1329 1 3 . 1 1 71 71 LEU N N 71 120.481 120.481 119.885 0.596 19562 1330 1 3 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.784 0.781 19562 1331 1 3 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.976 -0.525 19562 1332 1 3 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.469 2.267 19562 1333 1 3 . 1 1 71 71 LEU H H 71 8.807 8.807 7.639 1.168 19562 1334 1 3 . 1 1 72 72 PHE N N 72 120.815 120.815 127.299 -6.484 19562 1335 1 3 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.439 0.088 19562 1336 1 3 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.411 -0.227 19562 1337 1 3 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.600 1.263 19562 1338 1 3 . 1 1 72 72 PHE H H 72 9.439 9.439 9.709 -0.270 19562 1339 1 3 . 1 1 73 73 SER N N 73 120.270 120.270 118.633 1.637 19562 1340 1 3 . 1 1 73 73 SER HA H 73 5.387 5.387 4.360 1.027 19562 1341 1 3 . 1 1 73 73 SER CA C 73 54.994 54.994 55.104 -0.110 19562 1342 1 3 . 1 1 73 73 SER CB C 73 66.409 66.409 65.703 0.706 19562 1343 1 3 . 1 1 73 73 SER H H 73 8.597 8.597 8.178 0.419 19562 1344 1 3 . 1 1 74 74 PHE N N 74 117.157 117.157 116.202 0.955 19562 1345 1 3 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.335 -0.074 19562 1346 1 3 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.032 -0.333 19562 1347 1 3 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.263 0.640 19562 1348 1 3 . 1 1 74 74 PHE H H 74 8.050 8.050 7.694 0.356 19562 1349 1 3 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.826 0.910 19562 1350 1 3 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.656 -2.947 19562 1351 1 3 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.727 1.093 19562 1352 1 3 . 1 1 76 76 SER N N 76 123.656 123.656 122.879 0.777 19562 1353 1 3 . 1 1 76 76 SER HA H 76 5.243 5.243 5.111 0.132 19562 1354 1 3 . 1 1 76 76 SER CA C 76 56.906 56.906 57.109 -0.203 19562 1355 1 3 . 1 1 76 76 SER CB C 76 67.886 67.886 64.059 3.827 19562 1356 1 3 . 1 1 76 76 SER H H 76 9.930 9.930 9.072 0.858 19562 1357 1 3 . 1 1 77 77 GLY N N 77 105.906 105.906 111.331 -5.425 19562 1358 1 3 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.597 0.403 19562 1359 1 3 . 1 1 77 77 GLY H H 77 8.939 8.939 9.013 -0.074 19562 1360 1 3 . 1 1 78 78 ARG N N 78 114.676 114.676 119.155 -4.479 19562 1361 1 3 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.579 -0.562 19562 1362 1 3 . 1 1 78 78 ARG H H 78 9.680 9.680 7.629 2.051 19562 1363 1 3 . 1 1 79 79 ARG N N 79 121.801 121.801 119.230 2.571 19562 1364 1 3 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.805 -0.232 19562 1365 1 3 . 1 1 79 79 ARG CA C 79 54.928 54.928 55.178 -0.250 19562 1366 1 3 . 1 1 79 79 ARG CB C 79 27.070 27.070 32.623 -5.553 19562 1367 1 3 . 1 1 79 79 ARG H H 79 9.389 9.389 8.244 1.145 19562 1368 1 3 . 1 1 80 80 CYS N N 80 113.901 113.901 117.937 -4.036 19562 1369 1 3 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.484 0.404 19562 1370 1 3 . 1 1 80 80 CYS CA C 80 55.965 55.965 58.071 -2.106 19562 1371 1 3 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.281 -1.683 19562 1372 1 3 . 1 1 80 80 CYS H H 80 7.994 7.994 8.392 -0.398 19562 1373 1 3 . 1 1 81 81 GLN N N 81 122.839 122.839 121.774 1.065 19562 1374 1 3 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.060 0.036 19562 1375 1 3 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.218 0.721 19562 1376 1 3 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.755 -0.415 19562 1377 1 3 . 1 1 81 81 GLN H H 81 8.950 8.950 8.683 0.267 19562 1378 1 3 . 1 1 82 82 THR N N 82 107.297 107.297 112.250 -4.953 19562 1379 1 3 . 1 1 82 82 THR HA H 82 4.207 4.207 4.407 -0.200 19562 1380 1 3 . 1 1 82 82 THR CA C 82 63.147 63.147 61.946 1.201 19562 1381 1 3 . 1 1 82 82 THR CB C 82 70.591 70.591 69.217 1.374 19562 1382 1 3 . 1 1 82 82 THR H H 82 8.345 8.345 7.834 0.511 19562 1383 1 3 . 1 1 83 83 GLY N N 83 112.681 112.681 110.092 2.589 19562 1384 1 3 . 1 1 83 83 GLY CA C 83 43.994 43.994 44.684 -0.691 19562 1385 1 3 . 1 1 83 83 GLY H H 83 7.820 7.820 7.886 -0.066 19562 1386 1 3 . 1 1 84 84 GLN N N 84 119.972 119.972 123.958 -3.986 19562 1387 1 3 . 1 1 84 84 GLN H H 84 8.622 8.622 8.257 0.365 19562 1388 1 3 . 1 1 85 85 GLY N N 85 111.040 111.040 108.535 2.505 19562 1389 1 3 . 1 1 85 85 GLY H H 85 8.056 8.056 7.818 0.238 19562 1390 1 3 . 1 1 86 86 ILE N N 86 121.645 121.645 125.501 -3.856 19562 1391 1 3 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.304 -0.018 19562 1392 1 3 . 1 1 86 86 ILE CA C 86 60.162 60.162 61.488 -1.326 19562 1393 1 3 . 1 1 86 86 ILE CB C 86 38.542 38.542 35.593 2.949 19562 1394 1 3 . 1 1 86 86 ILE H H 86 8.021 8.021 8.412 -0.391 19562 1395 1 3 . 1 1 87 87 PHE N N 87 123.890 123.890 129.789 -5.899 19562 1396 1 3 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.526 0.100 19562 1397 1 3 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.534 0.410 19562 1398 1 3 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.400 0.603 19562 1399 1 3 . 1 1 87 87 PHE H H 87 8.476 8.476 8.965 -0.489 19562 1400 1 3 . 1 1 88 88 ALA N N 88 124.824 124.824 128.985 -4.161 19562 1401 1 3 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.026 1.255 19562 1402 1 3 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.649 0.555 19562 1403 1 3 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.056 1.279 19562 1404 1 3 . 1 1 88 88 ALA H H 88 9.149 9.149 8.065 1.084 19562 1405 1 3 . 1 1 89 89 PHE N N 89 118.047 118.047 118.689 -0.642 19562 1406 1 3 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.902 0.543 19562 1407 1 3 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.788 -0.083 19562 1408 1 3 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.783 0.713 19562 1409 1 3 . 1 1 89 89 PHE H H 89 9.423 9.423 8.996 0.427 19562 1410 1 3 . 1 1 90 90 LYS N N 90 122.937 122.937 125.057 -2.120 19562 1411 1 3 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.530 0.975 19562 1412 1 3 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.407 -1.579 19562 1413 1 3 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.747 2.265 19562 1414 1 3 . 1 1 90 90 LYS H H 90 9.943 9.943 9.035 0.908 19562 1415 1 3 . 1 1 91 91 CYS N N 91 126.115 126.115 123.200 2.915 19562 1416 1 3 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.606 0.147 19562 1417 1 3 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.276 0.899 19562 1418 1 3 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.839 -1.030 19562 1419 1 3 . 1 1 91 91 CYS H H 91 9.689 9.689 8.359 1.330 19562 1420 1 3 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.298 0.133 19562 1421 1 3 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.485 0.225 19562 1422 1 3 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.459 -0.596 19562 1423 1 3 . 1 1 93 93 ARG N N 93 117.248 117.248 118.012 -0.764 19562 1424 1 3 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.118 0.894 19562 1425 1 3 . 1 1 93 93 ARG CA C 93 53.957 53.957 52.901 1.056 19562 1426 1 3 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.159 3.644 19562 1427 1 3 . 1 1 93 93 ARG H H 93 7.964 7.964 7.752 0.212 19562 1428 1 3 . 1 1 94 94 ALA N N 94 122.369 122.369 123.797 -1.428 19562 1429 1 3 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.977 -0.454 19562 1430 1 3 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.573 -0.602 19562 1431 1 3 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.841 -0.745 19562 1432 1 3 . 1 1 94 94 ALA H H 94 7.310 7.310 8.238 -0.928 19562 1433 1 3 . 1 1 95 95 GLU N N 95 116.205 116.205 117.891 -1.686 19562 1434 1 3 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.629 -0.149 19562 1435 1 3 . 1 1 95 95 GLU CA C 95 58.696 58.696 58.968 -0.272 19562 1436 1 3 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.884 1.177 19562 1437 1 3 . 1 1 95 95 GLU H H 95 8.376 8.376 8.525 -0.149 19562 1438 1 3 . 1 1 96 96 GLU N N 96 119.188 119.188 120.118 -0.930 19562 1439 1 3 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.051 -0.084 19562 1440 1 3 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.575 0.325 19562 1441 1 3 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.051 0.979 19562 1442 1 3 . 1 1 96 96 GLU H H 96 7.418 7.418 7.964 -0.546 19562 1443 1 3 . 1 1 97 97 LEU N N 97 123.654 123.654 120.843 2.811 19562 1444 1 3 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.107 -1.093 19562 1445 1 3 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.481 0.238 19562 1446 1 3 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.851 -0.838 19562 1447 1 3 . 1 1 97 97 LEU H H 97 7.847 7.847 8.591 -0.744 19562 1448 1 3 . 1 1 98 98 PHE N N 98 118.746 118.746 119.415 -0.669 19562 1449 1 3 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.303 -0.510 19562 1450 1 3 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.433 0.263 19562 1451 1 3 . 1 1 98 98 PHE H H 98 8.076 8.076 9.043 -0.967 19562 1452 1 3 . 1 1 99 99 ASN N N 99 117.017 117.017 118.700 -1.683 19562 1453 1 3 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.151 0.069 19562 1454 1 3 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.864 -0.398 19562 1455 1 3 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.504 -1.223 19562 1456 1 3 . 1 1 99 99 ASN H H 99 8.622 8.622 7.957 0.665 19562 1457 1 3 . 1 1 100 100 MET N N 100 121.914 121.914 120.360 1.554 19562 1458 1 3 . 1 1 100 100 MET HA H 100 4.061 4.061 4.022 0.039 19562 1459 1 3 . 1 1 100 100 MET CA C 100 58.699 58.699 59.249 -0.550 19562 1460 1 3 . 1 1 100 100 MET CB C 100 32.048 32.048 32.642 -0.593 19562 1461 1 3 . 1 1 100 100 MET H H 100 8.316 8.316 8.618 -0.302 19562 1462 1 3 . 1 1 101 101 LEU N N 101 121.094 121.094 120.464 0.630 19562 1463 1 3 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.075 -0.495 19562 1464 1 3 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.056 -0.630 19562 1465 1 3 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.391 -0.291 19562 1466 1 3 . 1 1 101 101 LEU H H 101 8.047 8.047 8.803 -0.756 19562 1467 1 3 . 1 1 102 102 GLN N N 102 116.417 116.417 117.822 -1.405 19562 1468 1 3 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.070 -0.156 19562 1469 1 3 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.926 -0.480 19562 1470 1 3 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.205 0.482 19562 1471 1 3 . 1 1 102 102 GLN H H 102 8.195 8.195 8.458 -0.263 19562 1472 1 3 . 1 1 103 103 GLU N N 103 119.096 119.096 120.203 -1.107 19562 1473 1 3 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.225 -0.317 19562 1474 1 3 . 1 1 103 103 GLU CA C 103 58.917 58.917 59.186 -0.269 19562 1475 1 3 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.369 -0.308 19562 1476 1 3 . 1 1 103 103 GLU H H 103 7.635 7.635 8.618 -0.983 19562 1477 1 3 . 1 1 104 104 ILE N N 104 120.803 120.803 121.399 -0.596 19562 1478 1 3 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.647 -0.046 19562 1479 1 3 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.847 -1.137 19562 1480 1 3 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.895 0.155 19562 1481 1 3 . 1 1 104 104 ILE H H 104 7.965 7.965 8.861 -0.896 19562 1482 1 3 . 1 1 105 105 MET N N 105 117.016 117.016 118.993 -1.977 19562 1483 1 3 . 1 1 105 105 MET HA H 105 4.020 4.020 4.111 -0.091 19562 1484 1 3 . 1 1 105 105 MET CA C 105 57.384 57.384 59.850 -2.466 19562 1485 1 3 . 1 1 105 105 MET H H 105 8.145 8.145 8.535 -0.390 19562 1486 1 3 . 1 1 106 106 GLN N N 106 116.150 116.150 117.963 -1.813 19562 1487 1 3 . 1 1 106 106 GLN HA H 106 4.203 4.203 3.991 0.212 19562 1488 1 3 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.722 -2.081 19562 1489 1 3 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.589 -0.476 19562 1490 1 3 . 1 1 106 106 GLN H H 106 7.930 7.930 8.508 -0.578 19562 1491 1 3 . 1 1 107 107 ASN N N 107 117.360 117.360 114.329 3.031 19562 1492 1 3 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.688 0.032 19562 1493 1 3 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.972 -1.475 19562 1494 1 3 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.306 -0.748 19562 1495 1 3 . 1 1 107 107 ASN H H 107 7.872 7.872 8.178 -0.306 19562 1496 1 3 . 1 1 108 108 ASN N N 108 118.611 118.611 117.104 1.507 19562 1497 1 3 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.810 -0.050 19562 1498 1 3 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.596 -1.896 19562 1499 1 3 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.893 -1.375 19562 1500 1 3 . 1 1 108 108 ASN H H 108 8.144 8.144 8.374 -0.230 19562 1501 1 3 . 1 1 109 109 SER N N 109 115.704 115.704 112.273 3.431 19562 1502 1 3 . 1 1 109 109 SER HA H 109 4.519 4.519 4.070 0.449 19562 1503 1 3 . 1 1 109 109 SER CA C 109 57.700 57.700 60.910 -3.210 19562 1504 1 3 . 1 1 109 109 SER CB C 109 63.150 63.150 62.925 0.225 19562 1505 1 3 . 1 1 109 109 SER H H 109 8.215 8.215 7.909 0.306 19562 1506 1 3 . 1 1 110 110 ILE N N 110 121.954 121.954 120.931 1.023 19562 1507 1 3 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.730 0.482 19562 1508 1 3 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.332 -1.446 19562 1509 1 3 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.988 1.247 19562 1510 1 3 . 1 1 110 110 ILE H H 110 8.061 8.061 7.966 0.095 19562 1511 1 3 . 1 1 111 111 ASN N N 111 122.386 122.386 123.316 -0.930 19562 1512 1 3 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.002 -0.220 19562 1513 1 3 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.348 0.386 19562 1514 1 3 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.291 -2.491 19562 1515 1 3 . 1 1 111 111 ASN H H 111 8.376 8.376 8.165 0.211 19562 1516 1 3 . 1 1 112 112 VAL N N 112 120.830 120.830 123.196 -2.366 19562 1517 1 3 . 1 1 112 112 VAL HA H 112 4.185 4.185 3.914 0.271 19562 1518 1 3 . 1 1 112 112 VAL CA C 112 61.660 61.660 64.096 -2.436 19562 1519 1 3 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.092 0.238 19562 1520 1 3 . 1 1 112 112 VAL H H 112 8.067 8.067 8.623 -0.556 19562 1521 1 3 . 1 1 113 113 VAL N N 113 124.249 124.249 115.888 8.361 19562 1522 1 3 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.081 0.034 19562 1523 1 3 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.372 0.078 19562 1524 1 3 . 1 1 113 113 VAL CB C 113 32.345 32.345 34.060 -1.716 19562 1525 1 3 . 1 1 113 113 VAL H H 113 8.167 8.167 7.178 0.989 19562 1526 1 3 . 1 1 114 114 GLU N N 114 125.288 125.288 119.983 5.305 19562 1527 1 3 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.108 0.201 19562 1528 1 3 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.125 -1.435 19562 1529 1 3 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.130 0.920 19562 1530 1 3 . 1 1 114 114 GLU H H 114 8.405 8.405 8.347 0.058 19562 1531 1 3 . 1 1 115 115 GLU N N 115 123.990 123.990 121.656 2.334 19562 1532 1 3 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.527 0.036 19562 1533 1 3 . 1 1 115 115 GLU CA C 115 53.725 53.725 55.166 -1.441 19562 1534 1 3 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.953 -0.518 19562 1535 1 3 . 1 1 115 115 GLU H H 115 8.392 8.392 8.295 0.097 19562 1536 1 3 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.359 0.071 19562 1537 1 3 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.751 -0.081 19562 1538 1 3 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.532 1.123 19562 1539 1 3 . 1 1 117 117 VAL N N 117 121.339 121.339 117.026 4.313 19562 1540 1 3 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.719 0.357 19562 1541 1 3 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.072 -0.082 19562 1542 1 3 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.219 0.601 19562 1543 1 3 . 1 1 117 117 VAL H H 117 8.266 8.266 8.124 0.142 19562 1544 1 3 . 1 1 118 118 VAL N N 118 124.762 124.762 126.443 -1.681 19562 1545 1 3 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.022 0.094 19562 1546 1 3 . 1 1 118 118 VAL H H 118 8.202 8.202 8.150 0.052 19562 1547 1 3 . 1 1 119 119 GLU N N 119 125.304 125.304 123.980 1.324 19562 1548 1 3 . 1 1 119 119 GLU H H 119 8.479 8.479 8.632 -0.153 19562 1549 1 3 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.305 0.090 19562 1550 1 3 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.498 -1.148 19562 1551 1 3 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.010 1.555 19562 1552 1 3 . 1 1 121 121 ASN N N 121 120.465 120.465 122.125 -1.660 19562 1553 1 3 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.892 -0.138 19562 1554 1 3 . 1 1 121 121 ASN H H 121 8.536 8.536 8.601 -0.065 19562 1555 1 4 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.888 -0.269 19562 1556 1 4 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.579 -0.431 19562 1557 1 4 . 1 1 9 9 HIS CB C 9 29.609 29.609 27.411 2.198 19562 1558 1 4 . 1 1 10 10 MET N N 10 120.964 120.964 119.113 1.851 19562 1559 1 4 . 1 1 10 10 MET HA H 10 4.395 4.395 4.362 0.033 19562 1560 1 4 . 1 1 10 10 MET CA C 10 55.153 55.153 57.208 -2.055 19562 1561 1 4 . 1 1 10 10 MET CB C 10 32.293 32.293 33.737 -1.444 19562 1562 1 4 . 1 1 10 10 MET H H 10 8.274 8.274 7.912 0.362 19562 1563 1 4 . 1 1 11 11 ASP N N 11 120.989 120.989 117.453 3.536 19562 1564 1 4 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.636 0.110 19562 1565 1 4 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.366 -0.166 19562 1566 1 4 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.931 -1.731 19562 1567 1 4 . 1 1 11 11 ASP H H 11 8.281 8.281 8.027 0.254 19562 1568 1 4 . 1 1 12 12 THR N N 12 113.244 113.244 114.599 -1.355 19562 1569 1 4 . 1 1 12 12 THR HA H 12 4.312 4.312 4.236 0.076 19562 1570 1 4 . 1 1 12 12 THR CA C 12 61.218 61.218 62.681 -1.463 19562 1571 1 4 . 1 1 12 12 THR CB C 12 69.316 69.316 68.934 0.382 19562 1572 1 4 . 1 1 12 12 THR H H 12 7.979 7.979 7.539 0.440 19562 1573 1 4 . 1 1 13 13 VAL N N 13 123.579 123.579 119.704 3.875 19562 1574 1 4 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.610 -0.206 19562 1575 1 4 . 1 1 13 13 VAL CA C 13 59.234 59.234 57.170 2.064 19562 1576 1 4 . 1 1 13 13 VAL CB C 13 32.299 32.299 31.473 0.826 19562 1577 1 4 . 1 1 13 13 VAL H H 13 8.021 8.021 7.820 0.201 19562 1578 1 4 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.257 0.170 19562 1579 1 4 . 1 1 14 14 PRO CA C 14 62.900 62.900 65.618 -2.718 19562 1580 1 4 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.222 -0.432 19562 1581 1 4 . 1 1 15 15 ASP N N 15 120.556 120.556 109.646 10.910 19562 1582 1 4 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.556 -0.104 19562 1583 1 4 . 1 1 15 15 ASP CA C 15 54.421 54.421 54.103 0.318 19562 1584 1 4 . 1 1 15 15 ASP CB C 15 40.558 40.558 42.175 -1.617 19562 1585 1 4 . 1 1 15 15 ASP H H 15 8.471 8.471 8.658 -0.187 19562 1586 1 4 . 1 1 16 16 ASN N N 16 116.991 116.991 115.597 1.394 19562 1587 1 4 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.637 -0.033 19562 1588 1 4 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.161 0.121 19562 1589 1 4 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.978 -2.247 19562 1590 1 4 . 1 1 16 16 ASN H H 16 8.111 8.111 7.632 0.479 19562 1591 1 4 . 1 1 17 17 HIS N N 17 119.335 119.335 116.535 2.800 19562 1592 1 4 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.172 0.240 19562 1593 1 4 . 1 1 17 17 HIS CA C 17 56.436 56.436 59.149 -2.713 19562 1594 1 4 . 1 1 17 17 HIS CB C 17 30.009 30.009 27.758 2.251 19562 1595 1 4 . 1 1 17 17 HIS H H 17 8.014 8.014 8.297 -0.283 19562 1596 1 4 . 1 1 18 18 ARG N N 18 122.269 122.269 122.051 0.218 19562 1597 1 4 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.309 -0.326 19562 1598 1 4 . 1 1 18 18 ARG CA C 18 57.419 57.419 57.038 0.381 19562 1599 1 4 . 1 1 18 18 ARG CB C 18 29.781 29.781 31.872 -2.091 19562 1600 1 4 . 1 1 18 18 ARG H H 18 8.209 8.209 8.195 0.014 19562 1601 1 4 . 1 1 19 19 ASN N N 19 114.495 114.495 115.906 -1.411 19562 1602 1 4 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.207 0.508 19562 1603 1 4 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.729 -2.006 19562 1604 1 4 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.978 -0.944 19562 1605 1 4 . 1 1 19 19 ASN H H 19 8.565 8.565 7.545 1.020 19562 1606 1 4 . 1 1 20 20 LYS N N 20 117.932 117.932 121.221 -3.289 19562 1607 1 4 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.146 1.111 19562 1608 1 4 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.774 -1.038 19562 1609 1 4 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.384 3.631 19562 1610 1 4 . 1 1 20 20 LYS H H 20 7.040 7.040 7.639 -0.599 19562 1611 1 4 . 1 1 21 21 PHE N N 21 120.620 120.620 128.006 -7.386 19562 1612 1 4 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.598 -0.089 19562 1613 1 4 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.598 1.323 19562 1614 1 4 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.519 0.679 19562 1615 1 4 . 1 1 21 21 PHE H H 21 9.389 9.389 8.274 1.115 19562 1616 1 4 . 1 1 22 22 LYS N N 22 125.637 125.637 127.458 -1.821 19562 1617 1 4 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.451 0.286 19562 1618 1 4 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.109 0.863 19562 1619 1 4 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.109 0.197 19562 1620 1 4 . 1 1 22 22 LYS H H 22 9.258 9.258 9.002 0.256 19562 1621 1 4 . 1 1 23 23 VAL N N 23 118.282 118.282 118.618 -0.336 19562 1622 1 4 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.456 1.171 19562 1623 1 4 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.389 -1.004 19562 1624 1 4 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.964 2.552 19562 1625 1 4 . 1 1 23 23 VAL H H 23 8.672 8.672 7.999 0.673 19562 1626 1 4 . 1 1 24 24 ILE N N 24 120.397 120.397 119.234 1.163 19562 1627 1 4 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.458 0.355 19562 1628 1 4 . 1 1 24 24 ILE CA C 24 60.161 60.161 60.033 0.128 19562 1629 1 4 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.861 1.206 19562 1630 1 4 . 1 1 24 24 ILE H H 24 8.824 8.824 8.155 0.669 19562 1631 1 4 . 1 1 25 25 ASN N N 25 127.655 127.655 127.140 0.515 19562 1632 1 4 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.831 -0.330 19562 1633 1 4 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.302 0.899 19562 1634 1 4 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.648 0.872 19562 1635 1 4 . 1 1 25 25 ASN H H 25 9.232 9.232 8.441 0.791 19562 1636 1 4 . 1 1 26 26 VAL N N 26 116.322 116.322 119.455 -3.133 19562 1637 1 4 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.296 0.246 19562 1638 1 4 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.534 -1.762 19562 1639 1 4 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.562 0.708 19562 1640 1 4 . 1 1 26 26 VAL H H 26 7.680 7.680 7.474 0.206 19562 1641 1 4 . 1 1 27 27 ASP N N 27 117.000 117.000 126.178 -9.178 19562 1642 1 4 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.932 -0.839 19562 1643 1 4 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.800 -2.838 19562 1644 1 4 . 1 1 27 27 ASP H H 27 7.500 7.500 7.988 -0.488 19562 1645 1 4 . 1 1 28 28 ASP N N 28 112.540 112.540 123.451 -10.911 19562 1646 1 4 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.290 -0.119 19562 1647 1 4 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.136 0.162 19562 1648 1 4 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.830 -0.746 19562 1649 1 4 . 1 1 28 28 ASP H H 28 7.922 7.922 8.976 -1.054 19562 1650 1 4 . 1 1 29 29 ASP N N 29 115.319 115.319 116.789 -1.470 19562 1651 1 4 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.696 0.049 19562 1652 1 4 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.830 -0.379 19562 1653 1 4 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.597 0.407 19562 1654 1 4 . 1 1 29 29 ASP H H 29 7.809 7.809 8.031 -0.222 19562 1655 1 4 . 1 1 30 30 GLY N N 30 108.887 108.887 108.766 0.121 19562 1656 1 4 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.362 -0.873 19562 1657 1 4 . 1 1 30 30 GLY H H 30 8.196 8.196 8.301 -0.105 19562 1658 1 4 . 1 1 31 31 ASN N N 31 119.906 119.906 118.373 1.533 19562 1659 1 4 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.788 -0.305 19562 1660 1 4 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.762 1.439 19562 1661 1 4 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.547 -1.935 19562 1662 1 4 . 1 1 31 31 ASN H H 31 8.643 8.643 7.984 0.659 19562 1663 1 4 . 1 1 32 32 GLU N N 32 119.114 119.114 126.014 -6.900 19562 1664 1 4 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.272 -0.373 19562 1665 1 4 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.408 0.053 19562 1666 1 4 . 1 1 32 32 GLU H H 32 8.525 8.525 8.959 -0.434 19562 1667 1 4 . 1 1 33 33 LEU N N 33 126.117 126.117 124.281 1.836 19562 1668 1 4 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.420 0.189 19562 1669 1 4 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.608 -0.683 19562 1670 1 4 . 1 1 33 33 LEU CB C 33 40.756 40.756 40.442 0.314 19562 1671 1 4 . 1 1 33 33 LEU H H 33 8.817 8.817 8.091 0.726 19562 1672 1 4 . 1 1 34 34 GLY N N 34 108.970 108.970 107.913 1.057 19562 1673 1 4 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.390 0.599 19562 1674 1 4 . 1 1 34 34 GLY H H 34 8.228 8.228 7.373 0.855 19562 1675 1 4 . 1 1 35 35 SER N N 35 118.388 118.388 116.930 1.458 19562 1676 1 4 . 1 1 35 35 SER HA H 35 5.465 5.465 4.538 0.927 19562 1677 1 4 . 1 1 35 35 SER CA C 35 57.205 57.205 59.096 -1.891 19562 1678 1 4 . 1 1 35 35 SER CB C 35 65.393 65.393 63.465 1.927 19562 1679 1 4 . 1 1 35 35 SER H H 35 8.776 8.776 8.363 0.413 19562 1680 1 4 . 1 1 36 36 GLY N N 36 109.081 109.081 110.338 -1.257 19562 1681 1 4 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.489 1.996 19562 1682 1 4 . 1 1 36 36 GLY H H 36 9.013 9.013 7.714 1.299 19562 1683 1 4 . 1 1 37 37 ILE N N 37 121.560 121.560 119.004 2.556 19562 1684 1 4 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.675 0.429 19562 1685 1 4 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.429 -1.307 19562 1686 1 4 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.552 -1.087 19562 1687 1 4 . 1 1 37 37 ILE H H 37 8.779 8.779 8.650 0.129 19562 1688 1 4 . 1 1 38 38 MET N N 38 128.553 128.553 122.728 5.825 19562 1689 1 4 . 1 1 38 38 MET HA H 38 5.735 5.735 4.841 0.894 19562 1690 1 4 . 1 1 38 38 MET CA C 38 53.008 53.008 53.640 -0.632 19562 1691 1 4 . 1 1 38 38 MET CB C 38 36.446 36.446 34.420 2.026 19562 1692 1 4 . 1 1 38 38 MET H H 38 9.827 9.827 9.370 0.457 19562 1693 1 4 . 1 1 39 39 GLU N N 39 129.378 129.378 128.019 1.359 19562 1694 1 4 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.548 0.952 19562 1695 1 4 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.663 -2.208 19562 1696 1 4 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.779 4.756 19562 1697 1 4 . 1 1 39 39 GLU H H 39 10.160 10.160 9.252 0.908 19562 1698 1 4 . 1 1 40 40 LEU N N 40 127.174 127.174 130.044 -2.870 19562 1699 1 4 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.393 0.685 19562 1700 1 4 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.985 -0.545 19562 1701 1 4 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.506 0.507 19562 1702 1 4 . 1 1 40 40 LEU H H 40 8.334 8.334 8.390 -0.056 19562 1703 1 4 . 1 1 41 41 THR N N 41 115.971 115.971 115.881 0.090 19562 1704 1 4 . 1 1 41 41 THR HA H 41 5.012 5.012 4.704 0.308 19562 1705 1 4 . 1 1 41 41 THR CA C 41 59.113 59.113 59.422 -0.309 19562 1706 1 4 . 1 1 41 41 THR CB C 41 69.295 69.295 71.050 -1.755 19562 1707 1 4 . 1 1 41 41 THR H H 41 8.682 8.682 7.898 0.784 19562 1708 1 4 . 1 1 42 42 ASP N N 42 117.467 117.467 118.364 -0.897 19562 1709 1 4 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.206 0.409 19562 1710 1 4 . 1 1 42 42 ASP CA C 42 56.692 56.692 58.070 -1.378 19562 1711 1 4 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.621 -0.830 19562 1712 1 4 . 1 1 42 42 ASP H H 42 8.794 8.794 8.649 0.145 19562 1713 1 4 . 1 1 43 43 THR N N 43 104.010 104.010 105.573 -1.563 19562 1714 1 4 . 1 1 43 43 THR HA H 43 4.412 4.412 3.513 0.899 19562 1715 1 4 . 1 1 43 43 THR CA C 43 61.601 61.601 61.406 0.195 19562 1716 1 4 . 1 1 43 43 THR CB C 43 71.362 71.362 70.635 0.727 19562 1717 1 4 . 1 1 43 43 THR H H 43 7.763 7.763 7.455 0.308 19562 1718 1 4 . 1 1 44 44 GLU N N 44 118.980 118.980 121.835 -2.855 19562 1719 1 4 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.019 -0.849 19562 1720 1 4 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.907 -0.967 19562 1721 1 4 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.170 0.317 19562 1722 1 4 . 1 1 44 44 GLU H H 44 7.263 7.263 7.578 -0.315 19562 1723 1 4 . 1 1 45 45 LEU N N 45 122.138 122.138 127.923 -5.785 19562 1724 1 4 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.722 0.250 19562 1725 1 4 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.758 -1.037 19562 1726 1 4 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.531 1.707 19562 1727 1 4 . 1 1 45 45 LEU H H 45 8.314 8.314 9.389 -1.075 19562 1728 1 4 . 1 1 46 46 ILE N N 46 124.244 124.244 126.454 -2.210 19562 1729 1 4 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.495 0.229 19562 1730 1 4 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.770 1.540 19562 1731 1 4 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.350 4.140 19562 1732 1 4 . 1 1 46 46 ILE H H 46 9.154 9.154 9.110 0.044 19562 1733 1 4 . 1 1 47 47 LEU N N 47 127.510 127.510 131.446 -3.936 19562 1734 1 4 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.937 0.329 19562 1735 1 4 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.176 -1.470 19562 1736 1 4 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.818 2.918 19562 1737 1 4 . 1 1 47 47 LEU H H 47 9.378 9.378 8.608 0.770 19562 1738 1 4 . 1 1 48 48 TYR N N 48 128.014 128.014 127.479 0.535 19562 1739 1 4 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.705 0.329 19562 1740 1 4 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.699 -0.262 19562 1741 1 4 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.872 1.919 19562 1742 1 4 . 1 1 48 48 TYR H H 48 9.724 9.724 8.838 0.886 19562 1743 1 4 . 1 1 49 49 THR N N 49 115.097 115.097 117.491 -2.394 19562 1744 1 4 . 1 1 49 49 THR HA H 49 4.813 4.813 4.445 0.368 19562 1745 1 4 . 1 1 49 49 THR CA C 49 60.349 60.349 61.248 -0.899 19562 1746 1 4 . 1 1 49 49 THR CB C 49 70.967 70.967 70.168 0.798 19562 1747 1 4 . 1 1 49 49 THR H H 49 8.659 8.659 7.851 0.808 19562 1748 1 4 . 1 1 50 50 ARG N N 50 120.411 120.411 119.897 0.514 19562 1749 1 4 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.277 -0.078 19562 1750 1 4 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.477 -1.030 19562 1751 1 4 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.240 -0.466 19562 1752 1 4 . 1 1 50 50 ARG H H 50 8.649 8.649 8.759 -0.110 19562 1753 1 4 . 1 1 51 51 LYS N N 51 117.579 117.579 118.147 -0.568 19562 1754 1 4 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.505 -0.342 19562 1755 1 4 . 1 1 51 51 LYS CA C 51 56.678 56.678 55.891 0.787 19562 1756 1 4 . 1 1 51 51 LYS CB C 51 31.357 31.357 33.243 -1.886 19562 1757 1 4 . 1 1 51 51 LYS H H 51 8.406 8.406 8.022 0.384 19562 1758 1 4 . 1 1 52 52 ARG N N 52 116.662 116.662 121.497 -4.835 19562 1759 1 4 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.347 0.095 19562 1760 1 4 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.351 -1.046 19562 1761 1 4 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.182 0.568 19562 1762 1 4 . 1 1 52 52 ARG H H 52 7.973 7.973 7.917 0.056 19562 1763 1 4 . 1 1 53 53 ASP N N 53 119.760 119.760 116.548 3.212 19562 1764 1 4 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.394 0.366 19562 1765 1 4 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.922 -1.031 19562 1766 1 4 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.313 -0.306 19562 1767 1 4 . 1 1 53 53 ASP H H 53 8.066 8.066 7.884 0.182 19562 1768 1 4 . 1 1 54 54 SER N N 54 116.756 116.756 116.387 0.369 19562 1769 1 4 . 1 1 54 54 SER HA H 54 4.891 4.891 4.225 0.666 19562 1770 1 4 . 1 1 54 54 SER CA C 54 57.072 57.072 59.325 -2.253 19562 1771 1 4 . 1 1 54 54 SER CB C 54 64.473 64.473 61.816 2.657 19562 1772 1 4 . 1 1 54 54 SER H H 54 8.477 8.477 8.296 0.181 19562 1773 1 4 . 1 1 55 55 VAL N N 55 122.716 122.716 124.577 -1.861 19562 1774 1 4 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.892 0.056 19562 1775 1 4 . 1 1 55 55 VAL CA C 55 60.456 60.456 62.922 -2.466 19562 1776 1 4 . 1 1 55 55 VAL CB C 55 33.538 33.538 33.075 0.463 19562 1777 1 4 . 1 1 55 55 VAL H H 55 8.334 8.334 8.925 -0.591 19562 1778 1 4 . 1 1 56 56 LYS N N 56 121.568 121.568 120.997 0.571 19562 1779 1 4 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.951 0.320 19562 1780 1 4 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.563 -0.872 19562 1781 1 4 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.148 0.655 19562 1782 1 4 . 1 1 56 56 LYS H H 56 7.501 7.501 7.919 -0.418 19562 1783 1 4 . 1 1 57 57 TRP N N 57 123.638 123.638 122.746 0.892 19562 1784 1 4 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.814 -0.149 19562 1785 1 4 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.443 1.319 19562 1786 1 4 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.142 0.408 19562 1787 1 4 . 1 1 57 57 TRP H H 57 9.453 9.453 8.734 0.719 19562 1788 1 4 . 1 1 58 58 HIS N N 58 125.312 125.312 125.989 -0.677 19562 1789 1 4 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.142 -0.603 19562 1790 1 4 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.344 -0.160 19562 1791 1 4 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.592 -1.267 19562 1792 1 4 . 1 1 58 58 HIS H H 58 9.024 9.024 8.764 0.260 19562 1793 1 4 . 1 1 59 59 TYR N N 59 126.691 126.691 124.202 2.489 19562 1794 1 4 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.224 0.128 19562 1795 1 4 . 1 1 59 59 TYR CA C 59 59.699 59.699 60.006 -0.307 19562 1796 1 4 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.248 -1.721 19562 1797 1 4 . 1 1 59 59 TYR H H 59 8.079 8.079 8.547 -0.468 19562 1798 1 4 . 1 1 60 60 LEU N N 60 114.859 114.859 117.682 -2.823 19562 1799 1 4 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.319 -0.082 19562 1800 1 4 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.582 0.517 19562 1801 1 4 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.785 -0.231 19562 1802 1 4 . 1 1 60 60 LEU H H 60 9.307 9.307 7.861 1.446 19562 1803 1 4 . 1 1 61 61 CYS N N 61 114.415 114.415 115.904 -1.489 19562 1804 1 4 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.597 0.649 19562 1805 1 4 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.159 -0.726 19562 1806 1 4 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.724 -2.658 19562 1807 1 4 . 1 1 61 61 CYS H H 61 8.421 8.421 7.572 0.849 19562 1808 1 4 . 1 1 62 62 LEU N N 62 122.413 122.413 123.977 -1.564 19562 1809 1 4 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.261 0.486 19562 1810 1 4 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.885 -1.447 19562 1811 1 4 . 1 1 62 62 LEU CB C 62 41.039 41.039 39.894 1.145 19562 1812 1 4 . 1 1 62 62 LEU H H 62 7.702 7.702 7.498 0.204 19562 1813 1 4 . 1 1 63 63 ARG N N 63 122.839 122.839 122.636 0.203 19562 1814 1 4 . 1 1 63 63 ARG H H 63 9.301 9.301 8.988 0.313 19562 1815 1 4 . 1 1 64 64 ARG N N 64 111.512 111.512 114.528 -3.016 19562 1816 1 4 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.705 0.781 19562 1817 1 4 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.864 -1.219 19562 1818 1 4 . 1 1 64 64 ARG CB C 64 35.005 35.005 33.341 1.664 19562 1819 1 4 . 1 1 64 64 ARG H H 64 7.457 7.457 7.711 -0.254 19562 1820 1 4 . 1 1 65 65 TYR N N 65 115.127 115.127 114.344 0.783 19562 1821 1 4 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.171 0.369 19562 1822 1 4 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.203 -1.014 19562 1823 1 4 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.086 -0.571 19562 1824 1 4 . 1 1 65 65 TYR H H 65 8.340 8.340 8.454 -0.114 19562 1825 1 4 . 1 1 66 66 GLY N N 66 104.938 104.938 108.772 -3.834 19562 1826 1 4 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.602 2.297 19562 1827 1 4 . 1 1 66 66 GLY H H 66 8.950 8.950 8.619 0.331 19562 1828 1 4 . 1 1 67 67 TYR N N 67 117.143 117.143 119.745 -2.602 19562 1829 1 4 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.528 0.034 19562 1830 1 4 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.870 -1.385 19562 1831 1 4 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.598 1.749 19562 1832 1 4 . 1 1 67 67 TYR H H 67 8.022 8.022 7.911 0.111 19562 1833 1 4 . 1 1 68 68 ASP N N 68 119.290 119.290 128.683 -9.393 19562 1834 1 4 . 1 1 68 68 ASP HA H 68 3.830 3.830 3.962 -0.132 19562 1835 1 4 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.881 1.561 19562 1836 1 4 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.036 3.980 19562 1837 1 4 . 1 1 68 68 ASP H H 68 8.656 8.656 8.898 -0.242 19562 1838 1 4 . 1 1 69 69 SER N N 69 119.561 119.561 123.048 -3.487 19562 1839 1 4 . 1 1 69 69 SER HA H 69 4.040 4.040 4.152 -0.112 19562 1840 1 4 . 1 1 69 69 SER CB C 69 59.170 59.170 61.932 -2.762 19562 1841 1 4 . 1 1 69 69 SER H H 69 8.957 8.957 8.584 0.373 19562 1842 1 4 . 1 1 70 70 ASN N N 70 119.438 119.438 112.240 7.198 19562 1843 1 4 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.532 0.600 19562 1844 1 4 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.525 -2.537 19562 1845 1 4 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.040 0.238 19562 1846 1 4 . 1 1 70 70 ASN H H 70 8.502 8.502 8.777 -0.275 19562 1847 1 4 . 1 1 71 71 LEU N N 71 120.481 120.481 119.677 0.804 19562 1848 1 4 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.780 0.785 19562 1849 1 4 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.949 -0.498 19562 1850 1 4 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.447 2.289 19562 1851 1 4 . 1 1 71 71 LEU H H 71 8.807 8.807 7.453 1.354 19562 1852 1 4 . 1 1 72 72 PHE N N 72 120.815 120.815 127.245 -6.430 19562 1853 1 4 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.424 0.103 19562 1854 1 4 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.414 -0.230 19562 1855 1 4 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.573 1.290 19562 1856 1 4 . 1 1 72 72 PHE H H 72 9.439 9.439 9.723 -0.284 19562 1857 1 4 . 1 1 73 73 SER N N 73 120.270 120.270 118.826 1.444 19562 1858 1 4 . 1 1 73 73 SER HA H 73 5.387 5.387 4.427 0.960 19562 1859 1 4 . 1 1 73 73 SER CA C 73 54.994 54.994 55.138 -0.144 19562 1860 1 4 . 1 1 73 73 SER CB C 73 66.409 66.409 65.671 0.738 19562 1861 1 4 . 1 1 73 73 SER H H 73 8.597 8.597 8.085 0.512 19562 1862 1 4 . 1 1 74 74 PHE N N 74 117.157 117.157 115.837 1.320 19562 1863 1 4 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.196 0.065 19562 1864 1 4 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.049 -0.350 19562 1865 1 4 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.184 0.719 19562 1866 1 4 . 1 1 74 74 PHE H H 74 8.050 8.050 7.984 0.066 19562 1867 1 4 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.920 0.816 19562 1868 1 4 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.730 -3.021 19562 1869 1 4 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.410 0.410 19562 1870 1 4 . 1 1 76 76 SER N N 76 123.656 123.656 123.668 -0.012 19562 1871 1 4 . 1 1 76 76 SER HA H 76 5.243 5.243 5.281 -0.038 19562 1872 1 4 . 1 1 76 76 SER CA C 76 56.906 56.906 56.779 0.127 19562 1873 1 4 . 1 1 76 76 SER CB C 76 67.886 67.886 64.115 3.771 19562 1874 1 4 . 1 1 76 76 SER H H 76 9.930 9.930 8.571 1.359 19562 1875 1 4 . 1 1 77 77 GLY N N 77 105.906 105.906 114.192 -8.286 19562 1876 1 4 . 1 1 77 77 GLY CA C 77 45.000 45.000 46.081 -1.081 19562 1877 1 4 . 1 1 77 77 GLY H H 77 8.939 8.939 9.024 -0.085 19562 1878 1 4 . 1 1 78 78 ARG N N 78 114.676 114.676 119.933 -5.257 19562 1879 1 4 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.668 -0.651 19562 1880 1 4 . 1 1 78 78 ARG H H 78 9.680 9.680 7.753 1.927 19562 1881 1 4 . 1 1 79 79 ARG N N 79 121.801 121.801 120.230 1.571 19562 1882 1 4 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.163 0.410 19562 1883 1 4 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.708 -1.780 19562 1884 1 4 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.069 -2.999 19562 1885 1 4 . 1 1 79 79 ARG H H 79 9.389 9.389 8.581 0.808 19562 1886 1 4 . 1 1 80 80 CYS N N 80 113.901 113.901 120.277 -6.376 19562 1887 1 4 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.593 0.295 19562 1888 1 4 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.277 -1.312 19562 1889 1 4 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.242 -1.644 19562 1890 1 4 . 1 1 80 80 CYS H H 80 7.994 7.994 8.103 -0.109 19562 1891 1 4 . 1 1 81 81 GLN N N 81 122.839 122.839 120.811 2.028 19562 1892 1 4 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.002 0.094 19562 1893 1 4 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.598 0.341 19562 1894 1 4 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.037 -0.697 19562 1895 1 4 . 1 1 81 81 GLN H H 81 8.950 8.950 8.685 0.265 19562 1896 1 4 . 1 1 82 82 THR N N 82 107.297 107.297 110.543 -3.246 19562 1897 1 4 . 1 1 82 82 THR HA H 82 4.207 4.207 4.360 -0.153 19562 1898 1 4 . 1 1 82 82 THR CA C 82 63.147 63.147 61.834 1.313 19562 1899 1 4 . 1 1 82 82 THR CB C 82 70.591 70.591 68.951 1.640 19562 1900 1 4 . 1 1 82 82 THR H H 82 8.345 8.345 8.097 0.248 19562 1901 1 4 . 1 1 83 83 GLY N N 83 112.681 112.681 109.928 2.753 19562 1902 1 4 . 1 1 83 83 GLY CA C 83 43.994 43.994 44.365 -0.371 19562 1903 1 4 . 1 1 83 83 GLY H H 83 7.820 7.820 7.889 -0.069 19562 1904 1 4 . 1 1 84 84 GLN N N 84 119.972 119.972 122.310 -2.338 19562 1905 1 4 . 1 1 84 84 GLN H H 84 8.622 8.622 8.733 -0.111 19562 1906 1 4 . 1 1 85 85 GLY N N 85 111.040 111.040 106.788 4.252 19562 1907 1 4 . 1 1 85 85 GLY H H 85 8.056 8.056 7.727 0.329 19562 1908 1 4 . 1 1 86 86 ILE N N 86 121.645 121.645 123.648 -2.003 19562 1909 1 4 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.326 -0.040 19562 1910 1 4 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.501 -2.339 19562 1911 1 4 . 1 1 86 86 ILE CB C 86 38.542 38.542 37.358 1.184 19562 1912 1 4 . 1 1 86 86 ILE H H 86 8.021 8.021 8.269 -0.248 19562 1913 1 4 . 1 1 87 87 PHE N N 87 123.890 123.890 129.550 -5.660 19562 1914 1 4 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.598 0.028 19562 1915 1 4 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.999 -0.055 19562 1916 1 4 . 1 1 87 87 PHE CB C 87 42.003 42.003 42.178 -0.175 19562 1917 1 4 . 1 1 87 87 PHE H H 87 8.476 8.476 9.055 -0.579 19562 1918 1 4 . 1 1 88 88 ALA N N 88 124.824 124.824 128.647 -3.823 19562 1919 1 4 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.036 1.245 19562 1920 1 4 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.542 0.662 19562 1921 1 4 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.370 0.964 19562 1922 1 4 . 1 1 88 88 ALA H H 88 9.149 9.149 8.010 1.139 19562 1923 1 4 . 1 1 89 89 PHE N N 89 118.047 118.047 118.800 -0.753 19562 1924 1 4 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.982 0.463 19562 1925 1 4 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.836 -0.131 19562 1926 1 4 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.850 0.646 19562 1927 1 4 . 1 1 89 89 PHE H H 89 9.423 9.423 8.973 0.450 19562 1928 1 4 . 1 1 90 90 LYS N N 90 122.937 122.937 125.000 -2.063 19562 1929 1 4 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.545 0.960 19562 1930 1 4 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.168 -1.340 19562 1931 1 4 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.626 2.387 19562 1932 1 4 . 1 1 90 90 LYS H H 90 9.943 9.943 9.028 0.915 19562 1933 1 4 . 1 1 91 91 CYS N N 91 126.115 126.115 123.277 2.838 19562 1934 1 4 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.616 0.137 19562 1935 1 4 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.036 1.139 19562 1936 1 4 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.585 -0.776 19562 1937 1 4 . 1 1 91 91 CYS H H 91 9.689 9.689 8.423 1.266 19562 1938 1 4 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.389 0.042 19562 1939 1 4 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.146 0.564 19562 1940 1 4 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.759 -0.896 19562 1941 1 4 . 1 1 93 93 ARG N N 93 117.248 117.248 118.314 -1.066 19562 1942 1 4 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.228 0.784 19562 1943 1 4 . 1 1 93 93 ARG CA C 93 53.957 53.957 54.157 -0.200 19562 1944 1 4 . 1 1 93 93 ARG CB C 93 30.803 30.803 28.284 2.519 19562 1945 1 4 . 1 1 93 93 ARG H H 93 7.964 7.964 7.421 0.543 19562 1946 1 4 . 1 1 94 94 ALA N N 94 122.369 122.369 124.506 -2.137 19562 1947 1 4 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.996 -0.473 19562 1948 1 4 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.525 -0.554 19562 1949 1 4 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.856 -0.760 19562 1950 1 4 . 1 1 94 94 ALA H H 94 7.310 7.310 8.306 -0.996 19562 1951 1 4 . 1 1 95 95 GLU N N 95 116.205 116.205 117.836 -1.631 19562 1952 1 4 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.820 -0.340 19562 1953 1 4 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.251 -0.555 19562 1954 1 4 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.759 1.302 19562 1955 1 4 . 1 1 95 95 GLU H H 95 8.376 8.376 8.577 -0.201 19562 1956 1 4 . 1 1 96 96 GLU N N 96 119.188 119.188 120.022 -0.834 19562 1957 1 4 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.088 -0.121 19562 1958 1 4 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.377 0.523 19562 1959 1 4 . 1 1 96 96 GLU CB C 96 30.030 30.030 28.959 1.071 19562 1960 1 4 . 1 1 96 96 GLU H H 96 7.418 7.418 7.934 -0.516 19562 1961 1 4 . 1 1 97 97 LEU N N 97 123.654 123.654 121.028 2.626 19562 1962 1 4 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.173 -1.159 19562 1963 1 4 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.511 0.208 19562 1964 1 4 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.881 -0.868 19562 1965 1 4 . 1 1 97 97 LEU H H 97 7.847 7.847 8.571 -0.724 19562 1966 1 4 . 1 1 98 98 PHE N N 98 118.746 118.746 119.528 -0.782 19562 1967 1 4 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.300 -0.507 19562 1968 1 4 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.440 0.256 19562 1969 1 4 . 1 1 98 98 PHE H H 98 8.076 8.076 9.092 -1.016 19562 1970 1 4 . 1 1 99 99 ASN N N 99 117.017 117.017 118.676 -1.659 19562 1971 1 4 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.189 0.031 19562 1972 1 4 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.938 -0.472 19562 1973 1 4 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.516 -1.235 19562 1974 1 4 . 1 1 99 99 ASN H H 99 8.622 8.622 8.154 0.468 19562 1975 1 4 . 1 1 100 100 MET N N 100 121.914 121.914 120.437 1.477 19562 1976 1 4 . 1 1 100 100 MET HA H 100 4.061 4.061 3.994 0.067 19562 1977 1 4 . 1 1 100 100 MET CA C 100 58.699 58.699 59.530 -0.831 19562 1978 1 4 . 1 1 100 100 MET CB C 100 32.048 32.048 32.682 -0.634 19562 1979 1 4 . 1 1 100 100 MET H H 100 8.316 8.316 8.453 -0.137 19562 1980 1 4 . 1 1 101 101 LEU N N 101 121.094 121.094 120.476 0.618 19562 1981 1 4 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.139 -0.559 19562 1982 1 4 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.062 -0.636 19562 1983 1 4 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.477 -0.377 19562 1984 1 4 . 1 1 101 101 LEU H H 101 8.047 8.047 8.797 -0.750 19562 1985 1 4 . 1 1 102 102 GLN N N 102 116.417 116.417 117.907 -1.490 19562 1986 1 4 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.086 -0.172 19562 1987 1 4 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.955 -0.509 19562 1988 1 4 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.174 0.513 19562 1989 1 4 . 1 1 102 102 GLN H H 102 8.195 8.195 8.530 -0.335 19562 1990 1 4 . 1 1 103 103 GLU N N 103 119.096 119.096 120.207 -1.111 19562 1991 1 4 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.291 -0.383 19562 1992 1 4 . 1 1 103 103 GLU CA C 103 58.917 58.917 59.105 -0.188 19562 1993 1 4 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.366 -0.305 19562 1994 1 4 . 1 1 103 103 GLU H H 103 7.635 7.635 8.608 -0.973 19562 1995 1 4 . 1 1 104 104 ILE N N 104 120.803 120.803 121.254 -0.451 19562 1996 1 4 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.631 -0.030 19562 1997 1 4 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.513 -0.803 19562 1998 1 4 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.869 0.181 19562 1999 1 4 . 1 1 104 104 ILE H H 104 7.965 7.965 8.780 -0.815 19562 2000 1 4 . 1 1 105 105 MET N N 105 117.016 117.016 119.190 -2.174 19562 2001 1 4 . 1 1 105 105 MET HA H 105 4.020 4.020 4.105 -0.085 19562 2002 1 4 . 1 1 105 105 MET CA C 105 57.384 57.384 59.937 -2.553 19562 2003 1 4 . 1 1 105 105 MET H H 105 8.145 8.145 8.547 -0.402 19562 2004 1 4 . 1 1 106 106 GLN N N 106 116.150 116.150 117.749 -1.599 19562 2005 1 4 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.005 0.198 19562 2006 1 4 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.809 -2.168 19562 2007 1 4 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.567 -0.454 19562 2008 1 4 . 1 1 106 106 GLN H H 106 7.930 7.930 8.623 -0.694 19562 2009 1 4 . 1 1 107 107 ASN N N 107 117.360 117.360 113.805 3.555 19562 2010 1 4 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.785 -0.065 19562 2011 1 4 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.670 -1.173 19562 2012 1 4 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.488 -0.929 19562 2013 1 4 . 1 1 107 107 ASN H H 107 7.872 7.872 8.230 -0.358 19562 2014 1 4 . 1 1 108 108 ASN N N 108 118.611 118.611 116.938 1.673 19562 2015 1 4 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.800 -0.040 19562 2016 1 4 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.553 -1.853 19562 2017 1 4 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.680 -2.162 19562 2018 1 4 . 1 1 108 108 ASN H H 108 8.144 8.144 8.403 -0.259 19562 2019 1 4 . 1 1 109 109 SER N N 109 115.704 115.704 112.546 3.158 19562 2020 1 4 . 1 1 109 109 SER HA H 109 4.519 4.519 4.076 0.443 19562 2021 1 4 . 1 1 109 109 SER CA C 109 57.700 57.700 60.993 -3.293 19562 2022 1 4 . 1 1 109 109 SER CB C 109 63.150 63.150 62.928 0.222 19562 2023 1 4 . 1 1 109 109 SER H H 109 8.215 8.215 8.019 0.196 19562 2024 1 4 . 1 1 110 110 ILE N N 110 121.954 121.954 121.270 0.684 19562 2025 1 4 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.743 0.469 19562 2026 1 4 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.299 -1.413 19562 2027 1 4 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.964 1.271 19562 2028 1 4 . 1 1 110 110 ILE H H 110 8.061 8.061 8.107 -0.046 19562 2029 1 4 . 1 1 111 111 ASN N N 111 122.386 122.386 123.974 -1.588 19562 2030 1 4 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.998 -0.216 19562 2031 1 4 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.364 0.370 19562 2032 1 4 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.611 -2.811 19562 2033 1 4 . 1 1 111 111 ASN H H 111 8.376 8.376 8.428 -0.052 19562 2034 1 4 . 1 1 112 112 VAL N N 112 120.830 120.830 123.642 -2.812 19562 2035 1 4 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.316 -0.131 19562 2036 1 4 . 1 1 112 112 VAL CA C 112 61.660 61.660 61.889 -0.229 19562 2037 1 4 . 1 1 112 112 VAL CB C 112 32.330 32.330 30.015 2.315 19562 2038 1 4 . 1 1 112 112 VAL H H 112 8.067 8.067 8.552 -0.485 19562 2039 1 4 . 1 1 113 113 VAL N N 113 124.249 124.249 123.008 1.241 19562 2040 1 4 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.654 0.461 19562 2041 1 4 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.210 -1.760 19562 2042 1 4 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.656 -0.311 19562 2043 1 4 . 1 1 113 113 VAL H H 113 8.167 8.167 7.700 0.467 19562 2044 1 4 . 1 1 114 114 GLU N N 114 125.288 125.288 118.296 6.992 19562 2045 1 4 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.005 0.304 19562 2046 1 4 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.170 -1.480 19562 2047 1 4 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.988 1.062 19562 2048 1 4 . 1 1 114 114 GLU H H 114 8.405 8.405 8.276 0.129 19562 2049 1 4 . 1 1 115 115 GLU N N 115 123.990 123.990 122.652 1.338 19562 2050 1 4 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.313 0.250 19562 2051 1 4 . 1 1 115 115 GLU CA C 115 53.725 53.725 55.255 -1.530 19562 2052 1 4 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.093 -0.658 19562 2053 1 4 . 1 1 115 115 GLU H H 115 8.392 8.392 8.383 0.009 19562 2054 1 4 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.405 0.025 19562 2055 1 4 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.549 0.121 19562 2056 1 4 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.478 1.177 19562 2057 1 4 . 1 1 117 117 VAL N N 117 121.339 121.339 116.651 4.688 19562 2058 1 4 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.691 0.385 19562 2059 1 4 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.502 -0.512 19562 2060 1 4 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.583 0.237 19562 2061 1 4 . 1 1 117 117 VAL H H 117 8.266 8.266 8.130 0.136 19562 2062 1 4 . 1 1 118 118 VAL N N 118 124.762 124.762 126.031 -1.269 19562 2063 1 4 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.899 0.217 19562 2064 1 4 . 1 1 118 118 VAL H H 118 8.202 8.202 8.434 -0.232 19562 2065 1 4 . 1 1 119 119 GLU N N 119 125.304 125.304 125.687 -0.383 19562 2066 1 4 . 1 1 119 119 GLU H H 119 8.479 8.479 8.730 -0.251 19562 2067 1 4 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.335 0.060 19562 2068 1 4 . 1 1 120 120 ARG CA C 120 55.350 55.350 55.067 0.283 19562 2069 1 4 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.394 1.171 19562 2070 1 4 . 1 1 121 121 ASN N N 121 120.465 120.465 122.759 -2.294 19562 2071 1 4 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.784 -0.030 19562 2072 1 4 . 1 1 121 121 ASN H H 121 8.536 8.536 8.259 0.277 19562 2073 1 5 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.884 -0.265 19562 2074 1 5 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.197 -0.049 19562 2075 1 5 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.284 -0.675 19562 2076 1 5 . 1 1 10 10 MET N N 10 120.964 120.964 121.801 -0.837 19562 2077 1 5 . 1 1 10 10 MET HA H 10 4.395 4.395 4.388 0.007 19562 2078 1 5 . 1 1 10 10 MET CA C 10 55.153 55.153 55.870 -0.717 19562 2079 1 5 . 1 1 10 10 MET CB C 10 32.293 32.293 34.248 -1.955 19562 2080 1 5 . 1 1 10 10 MET H H 10 8.274 8.274 8.717 -0.443 19562 2081 1 5 . 1 1 11 11 ASP N N 11 120.989 120.989 119.922 1.067 19562 2082 1 5 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.729 0.017 19562 2083 1 5 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.065 0.135 19562 2084 1 5 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.844 -0.644 19562 2085 1 5 . 1 1 11 11 ASP H H 11 8.281 8.281 8.216 0.065 19562 2086 1 5 . 1 1 12 12 THR N N 12 113.244 113.244 114.501 -1.257 19562 2087 1 5 . 1 1 12 12 THR HA H 12 4.312 4.312 4.335 -0.024 19562 2088 1 5 . 1 1 12 12 THR CA C 12 61.218 61.218 62.062 -0.844 19562 2089 1 5 . 1 1 12 12 THR CB C 12 69.316 69.316 67.499 1.817 19562 2090 1 5 . 1 1 12 12 THR H H 12 7.979 7.979 7.861 0.118 19562 2091 1 5 . 1 1 13 13 VAL N N 13 123.579 123.579 123.853 -0.274 19562 2092 1 5 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.243 0.161 19562 2093 1 5 . 1 1 13 13 VAL CA C 13 59.234 59.234 59.908 -0.674 19562 2094 1 5 . 1 1 13 13 VAL CB C 13 32.299 32.299 33.219 -0.920 19562 2095 1 5 . 1 1 13 13 VAL H H 13 8.021 8.021 7.869 0.152 19562 2096 1 5 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.577 -0.150 19562 2097 1 5 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.955 -0.055 19562 2098 1 5 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.690 -0.900 19562 2099 1 5 . 1 1 15 15 ASP N N 15 120.556 120.556 121.038 -0.482 19562 2100 1 5 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.202 0.250 19562 2101 1 5 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.163 -1.742 19562 2102 1 5 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.134 -0.576 19562 2103 1 5 . 1 1 15 15 ASP H H 15 8.471 8.471 8.714 -0.243 19562 2104 1 5 . 1 1 16 16 ASN N N 16 116.991 116.991 114.527 2.464 19562 2105 1 5 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.685 -0.081 19562 2106 1 5 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.252 0.030 19562 2107 1 5 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.936 -2.205 19562 2108 1 5 . 1 1 16 16 ASN H H 16 8.111 8.111 7.774 0.337 19562 2109 1 5 . 1 1 17 17 HIS N N 17 119.335 119.335 119.862 -0.527 19562 2110 1 5 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.738 -0.326 19562 2111 1 5 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.470 0.966 19562 2112 1 5 . 1 1 17 17 HIS CB C 17 30.009 30.009 31.295 -1.286 19562 2113 1 5 . 1 1 17 17 HIS H H 17 8.014 8.014 7.792 0.222 19562 2114 1 5 . 1 1 18 18 ARG N N 18 122.269 122.269 119.876 2.393 19562 2115 1 5 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.891 0.092 19562 2116 1 5 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.957 -1.538 19562 2117 1 5 . 1 1 18 18 ARG CB C 18 29.781 29.781 29.791 -0.010 19562 2118 1 5 . 1 1 18 18 ARG H H 18 8.209 8.209 8.829 -0.620 19562 2119 1 5 . 1 1 19 19 ASN N N 19 114.495 114.495 114.354 0.141 19562 2120 1 5 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.204 0.511 19562 2121 1 5 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.369 -1.646 19562 2122 1 5 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.846 -0.812 19562 2123 1 5 . 1 1 19 19 ASN H H 19 8.565 8.565 7.990 0.575 19562 2124 1 5 . 1 1 20 20 LYS N N 20 117.932 117.932 120.592 -2.660 19562 2125 1 5 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.091 1.166 19562 2126 1 5 . 1 1 20 20 LYS CA C 20 54.736 54.736 54.963 -0.227 19562 2127 1 5 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.225 3.790 19562 2128 1 5 . 1 1 20 20 LYS H H 20 7.040 7.040 6.351 0.689 19562 2129 1 5 . 1 1 21 21 PHE N N 21 120.620 120.620 127.979 -7.359 19562 2130 1 5 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.614 -0.105 19562 2131 1 5 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.469 1.452 19562 2132 1 5 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.559 0.640 19562 2133 1 5 . 1 1 21 21 PHE H H 21 9.389 9.389 8.157 1.232 19562 2134 1 5 . 1 1 22 22 LYS N N 22 125.637 125.637 127.468 -1.831 19562 2135 1 5 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.448 0.289 19562 2136 1 5 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.171 0.801 19562 2137 1 5 . 1 1 22 22 LYS CB C 22 31.306 31.306 30.890 0.416 19562 2138 1 5 . 1 1 22 22 LYS H H 22 9.258 9.258 8.922 0.336 19562 2139 1 5 . 1 1 23 23 VAL N N 23 118.282 118.282 118.928 -0.646 19562 2140 1 5 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.420 1.207 19562 2141 1 5 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.379 -0.994 19562 2142 1 5 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.267 2.249 19562 2143 1 5 . 1 1 23 23 VAL H H 23 8.672 8.672 7.922 0.750 19562 2144 1 5 . 1 1 24 24 ILE N N 24 120.397 120.397 118.534 1.863 19562 2145 1 5 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.552 0.261 19562 2146 1 5 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.750 0.411 19562 2147 1 5 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.398 2.670 19562 2148 1 5 . 1 1 24 24 ILE H H 24 8.824 8.824 8.183 0.641 19562 2149 1 5 . 1 1 25 25 ASN N N 25 127.655 127.655 126.982 0.673 19562 2150 1 5 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.717 -0.216 19562 2151 1 5 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.649 0.552 19562 2152 1 5 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.799 0.721 19562 2153 1 5 . 1 1 25 25 ASN H H 25 9.232 9.232 8.473 0.759 19562 2154 1 5 . 1 1 26 26 VAL N N 26 116.322 116.322 117.081 -0.759 19562 2155 1 5 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.300 0.242 19562 2156 1 5 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.514 -1.742 19562 2157 1 5 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.868 0.402 19562 2158 1 5 . 1 1 26 26 VAL H H 26 7.680 7.680 7.428 0.252 19562 2159 1 5 . 1 1 27 27 ASP N N 27 117.000 117.000 125.590 -8.590 19562 2160 1 5 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.882 -0.789 19562 2161 1 5 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.297 -2.335 19562 2162 1 5 . 1 1 27 27 ASP H H 27 7.500 7.500 8.101 -0.601 19562 2163 1 5 . 1 1 28 28 ASP N N 28 112.540 112.540 123.967 -11.427 19562 2164 1 5 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.345 -0.174 19562 2165 1 5 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.020 0.278 19562 2166 1 5 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.672 -0.588 19562 2167 1 5 . 1 1 28 28 ASP H H 28 7.922 7.922 8.963 -1.041 19562 2168 1 5 . 1 1 29 29 ASP N N 29 115.319 115.319 116.729 -1.410 19562 2169 1 5 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.642 0.103 19562 2170 1 5 . 1 1 29 29 ASP CA C 29 53.451 53.451 54.060 -0.609 19562 2171 1 5 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.781 0.223 19562 2172 1 5 . 1 1 29 29 ASP H H 29 7.809 7.809 8.209 -0.400 19562 2173 1 5 . 1 1 30 30 GLY N N 30 108.887 108.887 109.367 -0.480 19562 2174 1 5 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.309 -0.820 19562 2175 1 5 . 1 1 30 30 GLY H H 30 8.196 8.196 8.303 -0.107 19562 2176 1 5 . 1 1 31 31 ASN N N 31 119.906 119.906 118.426 1.480 19562 2177 1 5 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.737 -0.254 19562 2178 1 5 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.709 1.492 19562 2179 1 5 . 1 1 31 31 ASN CB C 31 37.611 37.611 38.905 -1.294 19562 2180 1 5 . 1 1 31 31 ASN H H 31 8.643 8.643 8.043 0.600 19562 2181 1 5 . 1 1 32 32 GLU N N 32 119.114 119.114 125.723 -6.609 19562 2182 1 5 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.179 -0.280 19562 2183 1 5 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.548 -0.087 19562 2184 1 5 . 1 1 32 32 GLU H H 32 8.525 8.525 8.792 -0.267 19562 2185 1 5 . 1 1 33 33 LEU N N 33 126.117 126.117 123.625 2.492 19562 2186 1 5 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.442 0.167 19562 2187 1 5 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.929 -1.004 19562 2188 1 5 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.712 -0.956 19562 2189 1 5 . 1 1 33 33 LEU H H 33 8.817 8.817 8.715 0.102 19562 2190 1 5 . 1 1 34 34 GLY N N 34 108.970 108.970 105.458 3.512 19562 2191 1 5 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.396 0.593 19562 2192 1 5 . 1 1 34 34 GLY H H 34 8.228 8.228 7.746 0.482 19562 2193 1 5 . 1 1 35 35 SER N N 35 118.388 118.388 118.141 0.247 19562 2194 1 5 . 1 1 35 35 SER HA H 35 5.465 5.465 4.481 0.984 19562 2195 1 5 . 1 1 35 35 SER CA C 35 57.205 57.205 58.016 -0.811 19562 2196 1 5 . 1 1 35 35 SER CB C 35 65.393 65.393 63.438 1.955 19562 2197 1 5 . 1 1 35 35 SER H H 35 8.776 8.776 8.432 0.344 19562 2198 1 5 . 1 1 36 36 GLY N N 36 109.081 109.081 112.293 -3.212 19562 2199 1 5 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.410 2.075 19562 2200 1 5 . 1 1 36 36 GLY H H 36 9.013 9.013 7.876 1.137 19562 2201 1 5 . 1 1 37 37 ILE N N 37 121.560 121.560 119.022 2.538 19562 2202 1 5 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.616 0.488 19562 2203 1 5 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.117 -0.995 19562 2204 1 5 . 1 1 37 37 ILE CB C 37 40.465 40.465 42.175 -1.710 19562 2205 1 5 . 1 1 37 37 ILE H H 37 8.779 8.779 8.279 0.500 19562 2206 1 5 . 1 1 38 38 MET N N 38 128.553 128.553 123.807 4.746 19562 2207 1 5 . 1 1 38 38 MET HA H 38 5.735 5.735 4.836 0.899 19562 2208 1 5 . 1 1 38 38 MET CA C 38 53.008 53.008 53.474 -0.466 19562 2209 1 5 . 1 1 38 38 MET CB C 38 36.446 36.446 34.125 2.321 19562 2210 1 5 . 1 1 38 38 MET H H 38 9.827 9.827 9.384 0.443 19562 2211 1 5 . 1 1 39 39 GLU N N 39 129.378 129.378 127.965 1.413 19562 2212 1 5 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.520 0.980 19562 2213 1 5 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.600 -2.145 19562 2214 1 5 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.748 4.788 19562 2215 1 5 . 1 1 39 39 GLU H H 39 10.160 10.160 9.223 0.937 19562 2216 1 5 . 1 1 40 40 LEU N N 40 127.174 127.174 130.351 -3.177 19562 2217 1 5 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.479 0.599 19562 2218 1 5 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.176 -0.736 19562 2219 1 5 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.831 0.182 19562 2220 1 5 . 1 1 40 40 LEU H H 40 8.334 8.334 8.925 -0.591 19562 2221 1 5 . 1 1 41 41 THR N N 41 115.971 115.971 118.027 -2.056 19562 2222 1 5 . 1 1 41 41 THR HA H 41 5.012 5.012 4.710 0.302 19562 2223 1 5 . 1 1 41 41 THR CA C 41 59.113 59.113 59.763 -0.650 19562 2224 1 5 . 1 1 41 41 THR CB C 41 69.295 69.295 70.644 -1.349 19562 2225 1 5 . 1 1 41 41 THR H H 41 8.682 8.682 8.154 0.528 19562 2226 1 5 . 1 1 42 42 ASP N N 42 117.467 117.467 117.944 -0.477 19562 2227 1 5 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.204 0.411 19562 2228 1 5 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.674 -0.982 19562 2229 1 5 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.570 -0.779 19562 2230 1 5 . 1 1 42 42 ASP H H 42 8.794 8.794 8.581 0.213 19562 2231 1 5 . 1 1 43 43 THR N N 43 104.010 104.010 106.049 -2.039 19562 2232 1 5 . 1 1 43 43 THR HA H 43 4.412 4.412 3.503 0.909 19562 2233 1 5 . 1 1 43 43 THR CA C 43 61.601 61.601 61.357 0.244 19562 2234 1 5 . 1 1 43 43 THR CB C 43 71.362 71.362 70.647 0.715 19562 2235 1 5 . 1 1 43 43 THR H H 43 7.763 7.763 7.281 0.482 19562 2236 1 5 . 1 1 44 44 GLU N N 44 118.980 118.980 121.749 -2.769 19562 2237 1 5 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.044 -0.874 19562 2238 1 5 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.877 -0.937 19562 2239 1 5 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.511 -0.024 19562 2240 1 5 . 1 1 44 44 GLU H H 44 7.263 7.263 7.771 -0.508 19562 2241 1 5 . 1 1 45 45 LEU N N 45 122.138 122.138 127.993 -5.855 19562 2242 1 5 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.688 0.284 19562 2243 1 5 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.868 -1.147 19562 2244 1 5 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.477 1.761 19562 2245 1 5 . 1 1 45 45 LEU H H 45 8.314 8.314 9.384 -1.070 19562 2246 1 5 . 1 1 46 46 ILE N N 46 124.244 124.244 126.660 -2.416 19562 2247 1 5 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.455 0.269 19562 2248 1 5 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.801 1.509 19562 2249 1 5 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.216 4.274 19562 2250 1 5 . 1 1 46 46 ILE H H 46 9.154 9.154 9.215 -0.061 19562 2251 1 5 . 1 1 47 47 LEU N N 47 127.510 127.510 131.274 -3.764 19562 2252 1 5 . 1 1 47 47 LEU HA H 47 5.266 5.266 5.009 0.257 19562 2253 1 5 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.230 -1.524 19562 2254 1 5 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.091 2.645 19562 2255 1 5 . 1 1 47 47 LEU H H 47 9.378 9.378 8.398 0.980 19562 2256 1 5 . 1 1 48 48 TYR N N 48 128.014 128.014 127.256 0.758 19562 2257 1 5 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.724 0.310 19562 2258 1 5 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.412 0.025 19562 2259 1 5 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.935 1.856 19562 2260 1 5 . 1 1 48 48 TYR H H 48 9.724 9.724 8.867 0.857 19562 2261 1 5 . 1 1 49 49 THR N N 49 115.097 115.097 116.689 -1.592 19562 2262 1 5 . 1 1 49 49 THR HA H 49 4.813 4.813 4.452 0.361 19562 2263 1 5 . 1 1 49 49 THR CA C 49 60.349 60.349 61.079 -0.730 19562 2264 1 5 . 1 1 49 49 THR CB C 49 70.967 70.967 70.287 0.680 19562 2265 1 5 . 1 1 49 49 THR H H 49 8.659 8.659 8.042 0.617 19562 2266 1 5 . 1 1 50 50 ARG N N 50 120.411 120.411 121.139 -0.728 19562 2267 1 5 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.270 -0.071 19562 2268 1 5 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.555 -1.108 19562 2269 1 5 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.279 -0.504 19562 2270 1 5 . 1 1 50 50 ARG H H 50 8.649 8.649 8.824 -0.175 19562 2271 1 5 . 1 1 51 51 LYS N N 51 117.579 117.579 116.922 0.657 19562 2272 1 5 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.501 -0.338 19562 2273 1 5 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.238 0.440 19562 2274 1 5 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.310 -0.953 19562 2275 1 5 . 1 1 51 51 LYS H H 51 8.406 8.406 8.295 0.111 19562 2276 1 5 . 1 1 52 52 ARG N N 52 116.662 116.662 121.108 -4.446 19562 2277 1 5 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.394 0.048 19562 2278 1 5 . 1 1 52 52 ARG CA C 52 55.305 55.305 55.703 -0.397 19562 2279 1 5 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.039 0.711 19562 2280 1 5 . 1 1 52 52 ARG H H 52 7.973 7.973 7.778 0.195 19562 2281 1 5 . 1 1 53 53 ASP N N 53 119.760 119.760 115.772 3.988 19562 2282 1 5 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.368 0.392 19562 2283 1 5 . 1 1 53 53 ASP CA C 53 53.891 53.891 55.133 -1.242 19562 2284 1 5 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.312 -0.305 19562 2285 1 5 . 1 1 53 53 ASP H H 53 8.066 8.066 7.810 0.256 19562 2286 1 5 . 1 1 54 54 SER N N 54 116.756 116.756 115.260 1.496 19562 2287 1 5 . 1 1 54 54 SER HA H 54 4.891 4.891 4.272 0.619 19562 2288 1 5 . 1 1 54 54 SER CA C 54 57.072 57.072 59.363 -2.291 19562 2289 1 5 . 1 1 54 54 SER CB C 54 64.473 64.473 61.587 2.886 19562 2290 1 5 . 1 1 54 54 SER H H 54 8.477 8.477 8.316 0.161 19562 2291 1 5 . 1 1 55 55 VAL N N 55 122.716 122.716 124.389 -1.673 19562 2292 1 5 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.895 0.053 19562 2293 1 5 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.335 -2.879 19562 2294 1 5 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.990 0.548 19562 2295 1 5 . 1 1 55 55 VAL H H 55 8.334 8.334 9.043 -0.709 19562 2296 1 5 . 1 1 56 56 LYS N N 56 121.568 121.568 120.424 1.144 19562 2297 1 5 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.926 0.345 19562 2298 1 5 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.686 -0.995 19562 2299 1 5 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.123 0.680 19562 2300 1 5 . 1 1 56 56 LYS H H 56 7.501 7.501 7.870 -0.369 19562 2301 1 5 . 1 1 57 57 TRP N N 57 123.638 123.638 122.514 1.124 19562 2302 1 5 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.761 -0.096 19562 2303 1 5 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.377 1.385 19562 2304 1 5 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.962 0.588 19562 2305 1 5 . 1 1 57 57 TRP H H 57 9.453 9.453 8.808 0.645 19562 2306 1 5 . 1 1 58 58 HIS N N 58 125.312 125.312 126.282 -0.970 19562 2307 1 5 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.252 -0.713 19562 2308 1 5 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.222 -0.038 19562 2309 1 5 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.557 -1.232 19562 2310 1 5 . 1 1 58 58 HIS H H 58 9.024 9.024 8.836 0.188 19562 2311 1 5 . 1 1 59 59 TYR N N 59 126.691 126.691 125.639 1.052 19562 2312 1 5 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.249 0.103 19562 2313 1 5 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.800 -0.101 19562 2314 1 5 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.253 -1.726 19562 2315 1 5 . 1 1 59 59 TYR H H 59 8.079 8.079 8.763 -0.684 19562 2316 1 5 . 1 1 60 60 LEU N N 60 114.859 114.859 117.657 -2.798 19562 2317 1 5 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.398 -0.161 19562 2318 1 5 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.264 0.835 19562 2319 1 5 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.330 0.224 19562 2320 1 5 . 1 1 60 60 LEU H H 60 9.307 9.307 8.005 1.302 19562 2321 1 5 . 1 1 61 61 CYS N N 61 114.415 114.415 116.070 -1.655 19562 2322 1 5 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.583 0.663 19562 2323 1 5 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.291 -0.858 19562 2324 1 5 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.775 -2.709 19562 2325 1 5 . 1 1 61 61 CYS H H 61 8.421 8.421 7.575 0.846 19562 2326 1 5 . 1 1 62 62 LEU N N 62 122.413 122.413 123.427 -1.014 19562 2327 1 5 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.278 0.469 19562 2328 1 5 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.912 -1.474 19562 2329 1 5 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.201 0.838 19562 2330 1 5 . 1 1 62 62 LEU H H 62 7.702 7.702 7.484 0.218 19562 2331 1 5 . 1 1 63 63 ARG N N 63 122.839 122.839 121.616 1.223 19562 2332 1 5 . 1 1 63 63 ARG H H 63 9.301 9.301 8.870 0.431 19562 2333 1 5 . 1 1 64 64 ARG N N 64 111.512 111.512 117.681 -6.169 19562 2334 1 5 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.682 0.804 19562 2335 1 5 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.291 -1.646 19562 2336 1 5 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.902 3.103 19562 2337 1 5 . 1 1 64 64 ARG H H 64 7.457 7.457 7.601 -0.144 19562 2338 1 5 . 1 1 65 65 TYR N N 65 115.127 115.127 119.895 -4.768 19562 2339 1 5 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.112 0.428 19562 2340 1 5 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.233 0.956 19562 2341 1 5 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.805 -1.291 19562 2342 1 5 . 1 1 65 65 TYR H H 65 8.340 8.340 8.466 -0.126 19562 2343 1 5 . 1 1 66 66 GLY N N 66 104.938 104.938 108.926 -3.988 19562 2344 1 5 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.545 2.355 19562 2345 1 5 . 1 1 66 66 GLY H H 66 8.950 8.950 8.706 0.244 19562 2346 1 5 . 1 1 67 67 TYR N N 67 117.143 117.143 119.838 -2.695 19562 2347 1 5 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.573 -0.011 19562 2348 1 5 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.924 -1.439 19562 2349 1 5 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.348 1.999 19562 2350 1 5 . 1 1 67 67 TYR H H 67 8.022 8.022 7.920 0.102 19562 2351 1 5 . 1 1 68 68 ASP N N 68 119.290 119.290 125.444 -6.154 19562 2352 1 5 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.259 -0.429 19562 2353 1 5 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.686 3.756 19562 2354 1 5 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.957 3.059 19562 2355 1 5 . 1 1 68 68 ASP H H 68 8.656 8.656 9.120 -0.464 19562 2356 1 5 . 1 1 69 69 SER N N 69 119.561 119.561 117.891 1.670 19562 2357 1 5 . 1 1 69 69 SER HA H 69 4.040 4.040 4.255 -0.215 19562 2358 1 5 . 1 1 69 69 SER CB C 69 59.170 59.170 61.798 -2.628 19562 2359 1 5 . 1 1 69 69 SER H H 69 8.957 8.957 8.481 0.476 19562 2360 1 5 . 1 1 70 70 ASN N N 70 119.438 119.438 115.334 4.104 19562 2361 1 5 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.529 0.603 19562 2362 1 5 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.208 -2.220 19562 2363 1 5 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.402 -0.124 19562 2364 1 5 . 1 1 70 70 ASN H H 70 8.502 8.502 8.727 -0.225 19562 2365 1 5 . 1 1 71 71 LEU N N 71 120.481 120.481 119.001 1.480 19562 2366 1 5 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.910 0.655 19562 2367 1 5 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.054 -0.603 19562 2368 1 5 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.484 1.252 19562 2369 1 5 . 1 1 71 71 LEU H H 71 8.807 8.807 8.529 0.278 19562 2370 1 5 . 1 1 72 72 PHE N N 72 120.815 120.815 126.849 -6.034 19562 2371 1 5 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.418 0.109 19562 2372 1 5 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.328 -0.144 19562 2373 1 5 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.618 1.245 19562 2374 1 5 . 1 1 72 72 PHE H H 72 9.439 9.439 9.680 -0.241 19562 2375 1 5 . 1 1 73 73 SER N N 73 120.270 120.270 118.536 1.734 19562 2376 1 5 . 1 1 73 73 SER HA H 73 5.387 5.387 4.166 1.221 19562 2377 1 5 . 1 1 73 73 SER CA C 73 54.994 54.994 55.136 -0.142 19562 2378 1 5 . 1 1 73 73 SER CB C 73 66.409 66.409 65.406 1.003 19562 2379 1 5 . 1 1 73 73 SER H H 73 8.597 8.597 8.160 0.437 19562 2380 1 5 . 1 1 74 74 PHE N N 74 117.157 117.157 116.527 0.630 19562 2381 1 5 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.295 -0.034 19562 2382 1 5 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.872 -0.173 19562 2383 1 5 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.482 0.421 19562 2384 1 5 . 1 1 74 74 PHE H H 74 8.050 8.050 7.695 0.355 19562 2385 1 5 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.860 0.876 19562 2386 1 5 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.456 -2.747 19562 2387 1 5 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.990 0.830 19562 2388 1 5 . 1 1 76 76 SER N N 76 123.656 123.656 123.103 0.553 19562 2389 1 5 . 1 1 76 76 SER HA H 76 5.243 5.243 5.161 0.082 19562 2390 1 5 . 1 1 76 76 SER CA C 76 56.906 56.906 56.913 -0.007 19562 2391 1 5 . 1 1 76 76 SER CB C 76 67.886 67.886 63.939 3.947 19562 2392 1 5 . 1 1 76 76 SER H H 76 9.930 9.930 8.822 1.108 19562 2393 1 5 . 1 1 77 77 GLY N N 77 105.906 105.906 110.574 -4.668 19562 2394 1 5 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.764 0.236 19562 2395 1 5 . 1 1 77 77 GLY H H 77 8.939 8.939 9.128 -0.189 19562 2396 1 5 . 1 1 78 78 ARG N N 78 114.676 114.676 117.804 -3.128 19562 2397 1 5 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.610 -0.593 19562 2398 1 5 . 1 1 78 78 ARG H H 78 9.680 9.680 7.399 2.281 19562 2399 1 5 . 1 1 79 79 ARG N N 79 121.801 121.801 120.504 1.297 19562 2400 1 5 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.450 0.123 19562 2401 1 5 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.187 -1.259 19562 2402 1 5 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.830 -3.760 19562 2403 1 5 . 1 1 79 79 ARG H H 79 9.389 9.389 8.573 0.816 19562 2404 1 5 . 1 1 80 80 CYS N N 80 113.901 113.901 117.991 -4.090 19562 2405 1 5 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.642 0.246 19562 2406 1 5 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.107 -0.142 19562 2407 1 5 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.819 -1.221 19562 2408 1 5 . 1 1 80 80 CYS H H 80 7.994 7.994 8.222 -0.228 19562 2409 1 5 . 1 1 81 81 GLN N N 81 122.839 122.839 120.717 2.122 19562 2410 1 5 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.941 0.155 19562 2411 1 5 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.279 0.660 19562 2412 1 5 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.794 -0.455 19562 2413 1 5 . 1 1 81 81 GLN H H 81 8.950 8.950 8.673 0.277 19562 2414 1 5 . 1 1 82 82 THR N N 82 107.297 107.297 107.998 -0.701 19562 2415 1 5 . 1 1 82 82 THR HA H 82 4.207 4.207 4.417 -0.210 19562 2416 1 5 . 1 1 82 82 THR CA C 82 63.147 63.147 61.287 1.860 19562 2417 1 5 . 1 1 82 82 THR CB C 82 70.591 70.591 68.831 1.760 19562 2418 1 5 . 1 1 82 82 THR H H 82 8.345 8.345 8.110 0.235 19562 2419 1 5 . 1 1 83 83 GLY N N 83 112.681 112.681 108.702 3.979 19562 2420 1 5 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.252 -1.258 19562 2421 1 5 . 1 1 83 83 GLY H H 83 7.820 7.820 7.699 0.121 19562 2422 1 5 . 1 1 84 84 GLN N N 84 119.972 119.972 116.006 3.966 19562 2423 1 5 . 1 1 84 84 GLN H H 84 8.622 8.622 8.543 0.079 19562 2424 1 5 . 1 1 85 85 GLY N N 85 111.040 111.040 103.639 7.401 19562 2425 1 5 . 1 1 85 85 GLY H H 85 8.056 8.056 7.857 0.199 19562 2426 1 5 . 1 1 86 86 ILE N N 86 121.645 121.645 123.882 -2.237 19562 2427 1 5 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.261 0.025 19562 2428 1 5 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.616 -2.454 19562 2429 1 5 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.834 1.708 19562 2430 1 5 . 1 1 86 86 ILE H H 86 8.021 8.021 8.370 -0.349 19562 2431 1 5 . 1 1 87 87 PHE N N 87 123.890 123.890 129.724 -5.834 19562 2432 1 5 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.594 0.032 19562 2433 1 5 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.801 0.143 19562 2434 1 5 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.655 0.348 19562 2435 1 5 . 1 1 87 87 PHE H H 87 8.476 8.476 8.948 -0.472 19562 2436 1 5 . 1 1 88 88 ALA N N 88 124.824 124.824 128.742 -3.918 19562 2437 1 5 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.962 1.319 19562 2438 1 5 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.660 0.544 19562 2439 1 5 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.012 1.323 19562 2440 1 5 . 1 1 88 88 ALA H H 88 9.149 9.149 8.024 1.125 19562 2441 1 5 . 1 1 89 89 PHE N N 89 118.047 118.047 117.991 0.056 19562 2442 1 5 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.872 0.573 19562 2443 1 5 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.799 -0.094 19562 2444 1 5 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.855 0.641 19562 2445 1 5 . 1 1 89 89 PHE H H 89 9.423 9.423 8.962 0.461 19562 2446 1 5 . 1 1 90 90 LYS N N 90 122.937 122.937 124.816 -1.879 19562 2447 1 5 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.541 0.964 19562 2448 1 5 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.477 -1.649 19562 2449 1 5 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.851 2.162 19562 2450 1 5 . 1 1 90 90 LYS H H 90 9.943 9.943 8.999 0.944 19562 2451 1 5 . 1 1 91 91 CYS N N 91 126.115 126.115 123.178 2.937 19562 2452 1 5 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.611 0.142 19562 2453 1 5 . 1 1 91 91 CYS CA C 91 58.175 58.175 56.898 1.277 19562 2454 1 5 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.549 -0.740 19562 2455 1 5 . 1 1 91 91 CYS H H 91 9.689 9.689 8.268 1.421 19562 2456 1 5 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.155 0.276 19562 2457 1 5 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.176 0.534 19562 2458 1 5 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.460 -0.597 19562 2459 1 5 . 1 1 93 93 ARG N N 93 117.248 117.248 118.300 -1.052 19562 2460 1 5 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.190 0.822 19562 2461 1 5 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.050 0.907 19562 2462 1 5 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.982 2.821 19562 2463 1 5 . 1 1 93 93 ARG H H 93 7.964 7.964 7.580 0.384 19562 2464 1 5 . 1 1 94 94 ALA N N 94 122.369 122.369 124.138 -1.769 19562 2465 1 5 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.976 -0.453 19562 2466 1 5 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.525 -0.554 19562 2467 1 5 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.853 -0.757 19562 2468 1 5 . 1 1 94 94 ALA H H 94 7.310 7.310 8.102 -0.792 19562 2469 1 5 . 1 1 95 95 GLU N N 95 116.205 116.205 118.055 -1.850 19562 2470 1 5 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.916 -0.436 19562 2471 1 5 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.249 -0.553 19562 2472 1 5 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.652 1.409 19562 2473 1 5 . 1 1 95 95 GLU H H 95 8.376 8.376 8.619 -0.243 19562 2474 1 5 . 1 1 96 96 GLU N N 96 119.188 119.188 120.323 -1.135 19562 2475 1 5 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.048 -0.081 19562 2476 1 5 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.348 0.552 19562 2477 1 5 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.097 0.933 19562 2478 1 5 . 1 1 96 96 GLU H H 96 7.418 7.418 7.814 -0.396 19562 2479 1 5 . 1 1 97 97 LEU N N 97 123.654 123.654 121.072 2.582 19562 2480 1 5 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.149 -1.135 19562 2481 1 5 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.463 0.256 19562 2482 1 5 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.931 -0.918 19562 2483 1 5 . 1 1 97 97 LEU H H 97 7.847 7.847 8.631 -0.784 19562 2484 1 5 . 1 1 98 98 PHE N N 98 118.746 118.746 119.434 -0.688 19562 2485 1 5 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.314 -0.521 19562 2486 1 5 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.609 0.086 19562 2487 1 5 . 1 1 98 98 PHE H H 98 8.076 8.076 9.147 -1.071 19562 2488 1 5 . 1 1 99 99 ASN N N 99 117.017 117.017 118.455 -1.438 19562 2489 1 5 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.226 -0.006 19562 2490 1 5 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.603 -0.137 19562 2491 1 5 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.212 -0.931 19562 2492 1 5 . 1 1 99 99 ASN H H 99 8.622 8.622 8.251 0.371 19562 2493 1 5 . 1 1 100 100 MET N N 100 121.914 121.914 120.138 1.776 19562 2494 1 5 . 1 1 100 100 MET HA H 100 4.061 4.061 4.221 -0.160 19562 2495 1 5 . 1 1 100 100 MET CA C 100 58.699 58.699 58.973 -0.274 19562 2496 1 5 . 1 1 100 100 MET CB C 100 32.048 32.048 32.593 -0.545 19562 2497 1 5 . 1 1 100 100 MET H H 100 8.316 8.316 8.493 -0.177 19562 2498 1 5 . 1 1 101 101 LEU N N 101 121.094 121.094 120.167 0.927 19562 2499 1 5 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.065 -0.485 19562 2500 1 5 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.111 -0.685 19562 2501 1 5 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.394 -0.294 19562 2502 1 5 . 1 1 101 101 LEU H H 101 8.047 8.047 8.690 -0.643 19562 2503 1 5 . 1 1 102 102 GLN N N 102 116.417 116.417 117.020 -0.603 19562 2504 1 5 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.072 -0.158 19562 2505 1 5 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.944 -0.499 19562 2506 1 5 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.352 0.335 19562 2507 1 5 . 1 1 102 102 GLN H H 102 8.195 8.195 8.415 -0.220 19562 2508 1 5 . 1 1 103 103 GLU N N 103 119.096 119.096 120.416 -1.320 19562 2509 1 5 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.079 -0.171 19562 2510 1 5 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.778 0.139 19562 2511 1 5 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.484 -0.423 19562 2512 1 5 . 1 1 103 103 GLU H H 103 7.635 7.635 8.391 -0.756 19562 2513 1 5 . 1 1 104 104 ILE N N 104 120.803 120.803 121.891 -1.088 19562 2514 1 5 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.633 -0.032 19562 2515 1 5 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.668 -0.958 19562 2516 1 5 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.868 0.182 19562 2517 1 5 . 1 1 104 104 ILE H H 104 7.965 7.965 8.789 -0.824 19562 2518 1 5 . 1 1 105 105 MET N N 105 117.016 117.016 117.791 -0.775 19562 2519 1 5 . 1 1 105 105 MET HA H 105 4.020 4.020 4.177 -0.157 19562 2520 1 5 . 1 1 105 105 MET CA C 105 57.384 57.384 59.822 -2.438 19562 2521 1 5 . 1 1 105 105 MET H H 105 8.145 8.145 8.558 -0.413 19562 2522 1 5 . 1 1 106 106 GLN N N 106 116.150 116.150 116.822 -0.672 19562 2523 1 5 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.174 0.029 19562 2524 1 5 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.323 -1.682 19562 2525 1 5 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.627 -0.514 19562 2526 1 5 . 1 1 106 106 GLN H H 106 7.930 7.930 7.470 0.460 19562 2527 1 5 . 1 1 107 107 ASN N N 107 117.360 117.360 114.584 2.776 19562 2528 1 5 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.691 0.029 19562 2529 1 5 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.754 -1.257 19562 2530 1 5 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.250 -0.691 19562 2531 1 5 . 1 1 107 107 ASN H H 107 7.872 7.872 8.641 -0.769 19562 2532 1 5 . 1 1 108 108 ASN N N 108 118.611 118.611 116.826 1.785 19562 2533 1 5 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.848 -0.088 19562 2534 1 5 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.092 -1.392 19562 2535 1 5 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.532 -2.014 19562 2536 1 5 . 1 1 108 108 ASN H H 108 8.144 8.144 8.396 -0.252 19562 2537 1 5 . 1 1 109 109 SER N N 109 115.704 115.704 112.617 3.087 19562 2538 1 5 . 1 1 109 109 SER HA H 109 4.519 4.519 4.164 0.355 19562 2539 1 5 . 1 1 109 109 SER CA C 109 57.700 57.700 60.622 -2.922 19562 2540 1 5 . 1 1 109 109 SER CB C 109 63.150 63.150 62.947 0.203 19562 2541 1 5 . 1 1 109 109 SER H H 109 8.215 8.215 7.956 0.259 19562 2542 1 5 . 1 1 110 110 ILE N N 110 121.954 121.954 120.136 1.818 19562 2543 1 5 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.719 0.493 19562 2544 1 5 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.139 -1.253 19562 2545 1 5 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.849 1.385 19562 2546 1 5 . 1 1 110 110 ILE H H 110 8.061 8.061 7.999 0.062 19562 2547 1 5 . 1 1 111 111 ASN N N 111 122.386 122.386 122.735 -0.349 19562 2548 1 5 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.996 -0.214 19562 2549 1 5 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.459 0.275 19562 2550 1 5 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.256 -2.456 19562 2551 1 5 . 1 1 111 111 ASN H H 111 8.376 8.376 8.432 -0.056 19562 2552 1 5 . 1 1 112 112 VAL N N 112 120.830 120.830 125.173 -4.343 19562 2553 1 5 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.438 -0.253 19562 2554 1 5 . 1 1 112 112 VAL CA C 112 61.660 61.660 61.390 0.270 19562 2555 1 5 . 1 1 112 112 VAL CB C 112 32.330 32.330 29.715 2.615 19562 2556 1 5 . 1 1 112 112 VAL H H 112 8.067 8.067 8.822 -0.755 19562 2557 1 5 . 1 1 113 113 VAL N N 113 124.249 124.249 124.868 -0.619 19562 2558 1 5 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.528 0.587 19562 2559 1 5 . 1 1 113 113 VAL CA C 113 61.450 61.450 64.692 -3.242 19562 2560 1 5 . 1 1 113 113 VAL CB C 113 32.345 32.345 31.916 0.429 19562 2561 1 5 . 1 1 113 113 VAL H H 113 8.167 8.167 8.250 -0.083 19562 2562 1 5 . 1 1 114 114 GLU N N 114 125.288 125.288 120.434 4.854 19562 2563 1 5 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.268 0.041 19562 2564 1 5 . 1 1 114 114 GLU CA C 114 55.690 55.690 56.646 -0.956 19562 2565 1 5 . 1 1 114 114 GLU CB C 114 30.050 30.050 30.195 -0.145 19562 2566 1 5 . 1 1 114 114 GLU H H 114 8.405 8.405 8.062 0.343 19562 2567 1 5 . 1 1 115 115 GLU N N 115 123.990 123.990 124.409 -0.419 19562 2568 1 5 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.593 -0.030 19562 2569 1 5 . 1 1 115 115 GLU CA C 115 53.725 53.725 53.657 0.068 19562 2570 1 5 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.378 -0.943 19562 2571 1 5 . 1 1 115 115 GLU H H 115 8.392 8.392 8.419 -0.027 19562 2572 1 5 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.451 -0.021 19562 2573 1 5 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.361 0.309 19562 2574 1 5 . 1 1 116 116 PRO CB C 116 31.655 31.655 29.775 1.880 19562 2575 1 5 . 1 1 117 117 VAL N N 117 121.339 121.339 113.942 7.397 19562 2576 1 5 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.750 0.326 19562 2577 1 5 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.412 -0.422 19562 2578 1 5 . 1 1 117 117 VAL CB C 117 31.820 31.820 30.871 0.949 19562 2579 1 5 . 1 1 117 117 VAL H H 117 8.266 8.266 8.057 0.209 19562 2580 1 5 . 1 1 118 118 VAL N N 118 124.762 124.762 127.480 -2.718 19562 2581 1 5 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.901 0.215 19562 2582 1 5 . 1 1 118 118 VAL H H 118 8.202 8.202 8.512 -0.310 19562 2583 1 5 . 1 1 119 119 GLU N N 119 125.304 125.304 126.132 -0.828 19562 2584 1 5 . 1 1 119 119 GLU H H 119 8.479 8.479 8.388 0.091 19562 2585 1 5 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.274 0.121 19562 2586 1 5 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.070 -0.720 19562 2587 1 5 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.086 1.479 19562 2588 1 5 . 1 1 121 121 ASN N N 121 120.465 120.465 118.486 1.979 19562 2589 1 5 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.753 0.001 19562 2590 1 5 . 1 1 121 121 ASN H H 121 8.536 8.536 8.626 -0.090 19562 2591 1 6 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.773 -0.154 19562 2592 1 6 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.195 -0.047 19562 2593 1 6 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.155 -0.546 19562 2594 1 6 . 1 1 10 10 MET N N 10 120.964 120.964 116.700 4.264 19562 2595 1 6 . 1 1 10 10 MET HA H 10 4.395 4.395 4.001 0.394 19562 2596 1 6 . 1 1 10 10 MET CA C 10 55.153 55.153 58.450 -3.297 19562 2597 1 6 . 1 1 10 10 MET CB C 10 32.293 32.293 31.525 0.768 19562 2598 1 6 . 1 1 10 10 MET H H 10 8.274 8.274 8.763 -0.489 19562 2599 1 6 . 1 1 11 11 ASP N N 11 120.989 120.989 118.434 2.555 19562 2600 1 6 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.737 0.009 19562 2601 1 6 . 1 1 11 11 ASP CA C 11 54.200 54.200 55.008 -0.808 19562 2602 1 6 . 1 1 11 11 ASP CB C 11 40.200 40.200 42.265 -2.065 19562 2603 1 6 . 1 1 11 11 ASP H H 11 8.281 8.281 8.102 0.179 19562 2604 1 6 . 1 1 12 12 THR N N 12 113.244 113.244 114.386 -1.142 19562 2605 1 6 . 1 1 12 12 THR HA H 12 4.312 4.312 4.346 -0.034 19562 2606 1 6 . 1 1 12 12 THR CA C 12 61.218 61.218 62.035 -0.817 19562 2607 1 6 . 1 1 12 12 THR CB C 12 69.316 69.316 67.141 2.175 19562 2608 1 6 . 1 1 12 12 THR H H 12 7.979 7.979 7.973 0.006 19562 2609 1 6 . 1 1 13 13 VAL N N 13 123.579 123.579 123.651 -0.072 19562 2610 1 6 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.271 0.133 19562 2611 1 6 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.825 -1.591 19562 2612 1 6 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.133 0.166 19562 2613 1 6 . 1 1 13 13 VAL H H 13 8.021 8.021 7.832 0.189 19562 2614 1 6 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.461 -0.034 19562 2615 1 6 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.617 0.283 19562 2616 1 6 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.399 -0.609 19562 2617 1 6 . 1 1 15 15 ASP N N 15 120.556 120.556 117.073 3.483 19562 2618 1 6 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.319 0.133 19562 2619 1 6 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.027 -1.606 19562 2620 1 6 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.936 -0.378 19562 2621 1 6 . 1 1 15 15 ASP H H 15 8.471 8.471 8.339 0.132 19562 2622 1 6 . 1 1 16 16 ASN N N 16 116.991 116.991 112.163 4.828 19562 2623 1 6 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.609 -0.005 19562 2624 1 6 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.719 -0.437 19562 2625 1 6 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.781 -2.050 19562 2626 1 6 . 1 1 16 16 ASN H H 16 8.111 8.111 7.675 0.436 19562 2627 1 6 . 1 1 17 17 HIS N N 17 119.335 119.335 116.831 2.504 19562 2628 1 6 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.645 -0.233 19562 2629 1 6 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.873 0.563 19562 2630 1 6 . 1 1 17 17 HIS CB C 17 30.009 30.009 32.060 -2.051 19562 2631 1 6 . 1 1 17 17 HIS H H 17 8.014 8.014 8.306 -0.292 19562 2632 1 6 . 1 1 18 18 ARG N N 18 122.269 122.269 120.822 1.447 19562 2633 1 6 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.034 -0.051 19562 2634 1 6 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.061 -0.642 19562 2635 1 6 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.282 -0.501 19562 2636 1 6 . 1 1 18 18 ARG H H 18 8.209 8.209 8.746 -0.537 19562 2637 1 6 . 1 1 19 19 ASN N N 19 114.495 114.495 113.501 0.994 19562 2638 1 6 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.203 0.512 19562 2639 1 6 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.162 -1.439 19562 2640 1 6 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.318 -0.284 19562 2641 1 6 . 1 1 19 19 ASN H H 19 8.565 8.565 8.252 0.313 19562 2642 1 6 . 1 1 20 20 LYS N N 20 117.932 117.932 121.294 -3.362 19562 2643 1 6 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.244 1.013 19562 2644 1 6 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.574 -0.838 19562 2645 1 6 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.332 3.683 19562 2646 1 6 . 1 1 20 20 LYS H H 20 7.040 7.040 7.786 -0.746 19562 2647 1 6 . 1 1 21 21 PHE N N 21 120.620 120.620 126.091 -5.471 19562 2648 1 6 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.636 -0.127 19562 2649 1 6 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.623 1.298 19562 2650 1 6 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.574 0.624 19562 2651 1 6 . 1 1 21 21 PHE H H 21 9.389 9.389 8.101 1.288 19562 2652 1 6 . 1 1 22 22 LYS N N 22 125.637 125.637 126.336 -0.699 19562 2653 1 6 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.447 0.290 19562 2654 1 6 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.438 0.534 19562 2655 1 6 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.717 -0.411 19562 2656 1 6 . 1 1 22 22 LYS H H 22 9.258 9.258 8.984 0.274 19562 2657 1 6 . 1 1 23 23 VAL N N 23 118.282 118.282 120.045 -1.763 19562 2658 1 6 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.541 1.086 19562 2659 1 6 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.123 -0.738 19562 2660 1 6 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.620 1.896 19562 2661 1 6 . 1 1 23 23 VAL H H 23 8.672 8.672 8.675 -0.003 19562 2662 1 6 . 1 1 24 24 ILE N N 24 120.397 120.397 118.905 1.492 19562 2663 1 6 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.484 0.329 19562 2664 1 6 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.941 0.221 19562 2665 1 6 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.621 2.447 19562 2666 1 6 . 1 1 24 24 ILE H H 24 8.824 8.824 8.284 0.540 19562 2667 1 6 . 1 1 25 25 ASN N N 25 127.655 127.655 126.518 1.137 19562 2668 1 6 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.745 -0.244 19562 2669 1 6 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.353 0.848 19562 2670 1 6 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.504 1.016 19562 2671 1 6 . 1 1 25 25 ASN H H 25 9.232 9.232 8.596 0.636 19562 2672 1 6 . 1 1 26 26 VAL N N 26 116.322 116.322 115.847 0.475 19562 2673 1 6 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.255 0.287 19562 2674 1 6 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.560 -1.788 19562 2675 1 6 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.550 0.720 19562 2676 1 6 . 1 1 26 26 VAL H H 26 7.680 7.680 7.574 0.106 19562 2677 1 6 . 1 1 27 27 ASP N N 27 117.000 117.000 126.073 -9.073 19562 2678 1 6 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.913 -0.820 19562 2679 1 6 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.882 -2.920 19562 2680 1 6 . 1 1 27 27 ASP H H 27 7.500 7.500 8.045 -0.545 19562 2681 1 6 . 1 1 28 28 ASP N N 28 112.540 112.540 122.626 -10.086 19562 2682 1 6 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.323 -0.152 19562 2683 1 6 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.041 0.257 19562 2684 1 6 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.762 -0.678 19562 2685 1 6 . 1 1 28 28 ASP H H 28 7.922 7.922 8.946 -1.024 19562 2686 1 6 . 1 1 29 29 ASP N N 29 115.319 115.319 116.467 -1.148 19562 2687 1 6 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.656 0.089 19562 2688 1 6 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.979 -0.528 19562 2689 1 6 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.703 0.301 19562 2690 1 6 . 1 1 29 29 ASP H H 29 7.809 7.809 8.208 -0.399 19562 2691 1 6 . 1 1 30 30 GLY N N 30 108.887 108.887 108.606 0.281 19562 2692 1 6 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.411 -0.922 19562 2693 1 6 . 1 1 30 30 GLY H H 30 8.196 8.196 8.341 -0.145 19562 2694 1 6 . 1 1 31 31 ASN N N 31 119.906 119.906 118.085 1.821 19562 2695 1 6 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.761 -0.278 19562 2696 1 6 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.509 1.692 19562 2697 1 6 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.463 -1.852 19562 2698 1 6 . 1 1 31 31 ASN H H 31 8.643 8.643 7.954 0.689 19562 2699 1 6 . 1 1 32 32 GLU N N 32 119.114 119.114 125.598 -6.484 19562 2700 1 6 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.111 -0.212 19562 2701 1 6 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.309 0.152 19562 2702 1 6 . 1 1 32 32 GLU H H 32 8.525 8.525 8.964 -0.439 19562 2703 1 6 . 1 1 33 33 LEU N N 33 126.117 126.117 125.136 0.981 19562 2704 1 6 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.341 0.268 19562 2705 1 6 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.356 -0.431 19562 2706 1 6 . 1 1 33 33 LEU CB C 33 40.756 40.756 40.274 0.482 19562 2707 1 6 . 1 1 33 33 LEU H H 33 8.817 8.817 8.242 0.575 19562 2708 1 6 . 1 1 34 34 GLY N N 34 108.970 108.970 106.353 2.617 19562 2709 1 6 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.616 0.373 19562 2710 1 6 . 1 1 34 34 GLY H H 34 8.228 8.228 7.691 0.537 19562 2711 1 6 . 1 1 35 35 SER N N 35 118.388 118.388 118.270 0.118 19562 2712 1 6 . 1 1 35 35 SER HA H 35 5.465 5.465 4.917 0.548 19562 2713 1 6 . 1 1 35 35 SER CA C 35 57.205 57.205 56.981 0.224 19562 2714 1 6 . 1 1 35 35 SER CB C 35 65.393 65.393 64.868 0.525 19562 2715 1 6 . 1 1 35 35 SER H H 35 8.776 8.776 8.284 0.492 19562 2716 1 6 . 1 1 36 36 GLY N N 36 109.081 109.081 109.705 -0.624 19562 2717 1 6 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.322 2.163 19562 2718 1 6 . 1 1 36 36 GLY H H 36 9.013 9.013 8.376 0.637 19562 2719 1 6 . 1 1 37 37 ILE N N 37 121.560 121.560 119.055 2.505 19562 2720 1 6 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.661 0.443 19562 2721 1 6 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.367 -1.245 19562 2722 1 6 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.281 -0.816 19562 2723 1 6 . 1 1 37 37 ILE H H 37 8.779 8.779 8.573 0.206 19562 2724 1 6 . 1 1 38 38 MET N N 38 128.553 128.553 122.355 6.198 19562 2725 1 6 . 1 1 38 38 MET HA H 38 5.735 5.735 4.903 0.832 19562 2726 1 6 . 1 1 38 38 MET CA C 38 53.008 53.008 53.723 -0.715 19562 2727 1 6 . 1 1 38 38 MET CB C 38 36.446 36.446 34.660 1.786 19562 2728 1 6 . 1 1 38 38 MET H H 38 9.827 9.827 9.358 0.469 19562 2729 1 6 . 1 1 39 39 GLU N N 39 129.378 129.378 127.673 1.705 19562 2730 1 6 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.530 0.970 19562 2731 1 6 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.543 -2.088 19562 2732 1 6 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.668 4.868 19562 2733 1 6 . 1 1 39 39 GLU H H 39 10.160 10.160 9.102 1.058 19562 2734 1 6 . 1 1 40 40 LEU N N 40 127.174 127.174 130.699 -3.525 19562 2735 1 6 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.449 0.629 19562 2736 1 6 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.332 0.108 19562 2737 1 6 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.027 0.986 19562 2738 1 6 . 1 1 40 40 LEU H H 40 8.334 8.334 8.646 -0.312 19562 2739 1 6 . 1 1 41 41 THR N N 41 115.971 115.971 115.332 0.639 19562 2740 1 6 . 1 1 41 41 THR HA H 41 5.012 5.012 4.476 0.536 19562 2741 1 6 . 1 1 41 41 THR CA C 41 59.113 59.113 59.691 -0.578 19562 2742 1 6 . 1 1 41 41 THR CB C 41 69.295 69.295 70.680 -1.385 19562 2743 1 6 . 1 1 41 41 THR H H 41 8.682 8.682 7.864 0.818 19562 2744 1 6 . 1 1 42 42 ASP N N 42 117.467 117.467 118.009 -0.542 19562 2745 1 6 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.197 0.418 19562 2746 1 6 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.997 -1.305 19562 2747 1 6 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.551 -0.760 19562 2748 1 6 . 1 1 42 42 ASP H H 42 8.794 8.794 8.661 0.133 19562 2749 1 6 . 1 1 43 43 THR N N 43 104.010 104.010 105.315 -1.305 19562 2750 1 6 . 1 1 43 43 THR HA H 43 4.412 4.412 3.462 0.950 19562 2751 1 6 . 1 1 43 43 THR CA C 43 61.601 61.601 61.654 -0.052 19562 2752 1 6 . 1 1 43 43 THR CB C 43 71.362 71.362 70.781 0.581 19562 2753 1 6 . 1 1 43 43 THR H H 43 7.763 7.763 7.353 0.410 19562 2754 1 6 . 1 1 44 44 GLU N N 44 118.980 118.980 122.087 -3.107 19562 2755 1 6 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.938 -0.768 19562 2756 1 6 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.740 -0.800 19562 2757 1 6 . 1 1 44 44 GLU CB C 44 33.487 33.487 32.702 0.785 19562 2758 1 6 . 1 1 44 44 GLU H H 44 7.263 7.263 7.530 -0.267 19562 2759 1 6 . 1 1 45 45 LEU N N 45 122.138 122.138 127.841 -5.703 19562 2760 1 6 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.796 0.176 19562 2761 1 6 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.548 -0.827 19562 2762 1 6 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.441 1.797 19562 2763 1 6 . 1 1 45 45 LEU H H 45 8.314 8.314 9.283 -0.969 19562 2764 1 6 . 1 1 46 46 ILE N N 46 124.244 124.244 126.037 -1.793 19562 2765 1 6 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.426 0.298 19562 2766 1 6 . 1 1 46 46 ILE CA C 46 60.310 60.310 60.377 -0.067 19562 2767 1 6 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.670 3.820 19562 2768 1 6 . 1 1 46 46 ILE H H 46 9.154 9.154 9.000 0.154 19562 2769 1 6 . 1 1 47 47 LEU N N 47 127.510 127.510 131.748 -4.238 19562 2770 1 6 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.902 0.364 19562 2771 1 6 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.097 -1.391 19562 2772 1 6 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.762 2.974 19562 2773 1 6 . 1 1 47 47 LEU H H 47 9.378 9.378 8.594 0.784 19562 2774 1 6 . 1 1 48 48 TYR N N 48 128.014 128.014 127.271 0.743 19562 2775 1 6 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.716 0.318 19562 2776 1 6 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.254 0.183 19562 2777 1 6 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.858 1.933 19562 2778 1 6 . 1 1 48 48 TYR H H 48 9.724 9.724 8.765 0.959 19562 2779 1 6 . 1 1 49 49 THR N N 49 115.097 115.097 117.257 -2.160 19562 2780 1 6 . 1 1 49 49 THR HA H 49 4.813 4.813 4.476 0.337 19562 2781 1 6 . 1 1 49 49 THR CA C 49 60.349 60.349 61.142 -0.793 19562 2782 1 6 . 1 1 49 49 THR CB C 49 70.967 70.967 70.272 0.695 19562 2783 1 6 . 1 1 49 49 THR H H 49 8.659 8.659 7.930 0.729 19562 2784 1 6 . 1 1 50 50 ARG N N 50 120.411 120.411 120.260 0.151 19562 2785 1 6 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.219 -0.020 19562 2786 1 6 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.614 -1.167 19562 2787 1 6 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.075 -0.300 19562 2788 1 6 . 1 1 50 50 ARG H H 50 8.649 8.649 8.869 -0.220 19562 2789 1 6 . 1 1 51 51 LYS N N 51 117.579 117.579 117.552 0.027 19562 2790 1 6 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.481 -0.318 19562 2791 1 6 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.161 0.517 19562 2792 1 6 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.967 -1.610 19562 2793 1 6 . 1 1 51 51 LYS H H 51 8.406 8.406 8.020 0.386 19562 2794 1 6 . 1 1 52 52 ARG N N 52 116.662 116.662 121.650 -4.988 19562 2795 1 6 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.247 0.195 19562 2796 1 6 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.933 -1.628 19562 2797 1 6 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.840 0.910 19562 2798 1 6 . 1 1 52 52 ARG H H 52 7.973 7.973 7.994 -0.021 19562 2799 1 6 . 1 1 53 53 ASP N N 53 119.760 119.760 115.070 4.690 19562 2800 1 6 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.390 0.370 19562 2801 1 6 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.812 -0.921 19562 2802 1 6 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.369 -0.362 19562 2803 1 6 . 1 1 53 53 ASP H H 53 8.066 8.066 7.794 0.272 19562 2804 1 6 . 1 1 54 54 SER N N 54 116.756 116.756 115.199 1.557 19562 2805 1 6 . 1 1 54 54 SER HA H 54 4.891 4.891 4.256 0.635 19562 2806 1 6 . 1 1 54 54 SER CA C 54 57.072 57.072 59.212 -2.140 19562 2807 1 6 . 1 1 54 54 SER CB C 54 64.473 64.473 62.093 2.380 19562 2808 1 6 . 1 1 54 54 SER H H 54 8.477 8.477 8.267 0.210 19562 2809 1 6 . 1 1 55 55 VAL N N 55 122.716 122.716 126.364 -3.648 19562 2810 1 6 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.907 0.041 19562 2811 1 6 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.149 -2.693 19562 2812 1 6 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.917 0.621 19562 2813 1 6 . 1 1 55 55 VAL H H 55 8.334 8.334 9.161 -0.827 19562 2814 1 6 . 1 1 56 56 LYS N N 56 121.568 121.568 119.748 1.820 19562 2815 1 6 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.989 0.282 19562 2816 1 6 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.666 -0.975 19562 2817 1 6 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.349 0.454 19562 2818 1 6 . 1 1 56 56 LYS H H 56 7.501 7.501 7.902 -0.401 19562 2819 1 6 . 1 1 57 57 TRP N N 57 123.638 123.638 122.131 1.507 19562 2820 1 6 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.805 -0.140 19562 2821 1 6 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.460 1.302 19562 2822 1 6 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.068 0.482 19562 2823 1 6 . 1 1 57 57 TRP H H 57 9.453 9.453 8.752 0.701 19562 2824 1 6 . 1 1 58 58 HIS N N 58 125.312 125.312 126.316 -1.004 19562 2825 1 6 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.111 -0.572 19562 2826 1 6 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.359 -0.175 19562 2827 1 6 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.367 -1.042 19562 2828 1 6 . 1 1 58 58 HIS H H 58 9.024 9.024 8.768 0.256 19562 2829 1 6 . 1 1 59 59 TYR N N 59 126.691 126.691 125.763 0.928 19562 2830 1 6 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.232 0.120 19562 2831 1 6 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.825 -0.126 19562 2832 1 6 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.248 -1.721 19562 2833 1 6 . 1 1 59 59 TYR H H 59 8.079 8.079 8.807 -0.728 19562 2834 1 6 . 1 1 60 60 LEU N N 60 114.859 114.859 117.727 -2.868 19562 2835 1 6 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.348 -0.111 19562 2836 1 6 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.425 0.674 19562 2837 1 6 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.197 0.357 19562 2838 1 6 . 1 1 60 60 LEU H H 60 9.307 9.307 7.982 1.325 19562 2839 1 6 . 1 1 61 61 CYS N N 61 114.415 114.415 115.979 -1.564 19562 2840 1 6 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.584 0.662 19562 2841 1 6 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.314 -0.881 19562 2842 1 6 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.920 -2.854 19562 2843 1 6 . 1 1 61 61 CYS H H 61 8.421 8.421 7.575 0.846 19562 2844 1 6 . 1 1 62 62 LEU N N 62 122.413 122.413 123.429 -1.016 19562 2845 1 6 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.255 0.492 19562 2846 1 6 . 1 1 62 62 LEU CA C 62 54.438 54.438 56.040 -1.602 19562 2847 1 6 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.182 0.857 19562 2848 1 6 . 1 1 62 62 LEU H H 62 7.702 7.702 7.380 0.322 19562 2849 1 6 . 1 1 63 63 ARG N N 63 122.839 122.839 122.743 0.096 19562 2850 1 6 . 1 1 63 63 ARG H H 63 9.301 9.301 9.036 0.265 19562 2851 1 6 . 1 1 64 64 ARG N N 64 111.512 111.512 114.883 -3.371 19562 2852 1 6 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.637 0.849 19562 2853 1 6 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.865 -1.220 19562 2854 1 6 . 1 1 64 64 ARG CB C 64 35.005 35.005 33.492 1.513 19562 2855 1 6 . 1 1 64 64 ARG H H 64 7.457 7.457 7.615 -0.158 19562 2856 1 6 . 1 1 65 65 TYR N N 65 115.127 115.127 114.516 0.611 19562 2857 1 6 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.180 0.360 19562 2858 1 6 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.133 -0.944 19562 2859 1 6 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.207 -0.693 19562 2860 1 6 . 1 1 65 65 TYR H H 65 8.340 8.340 8.422 -0.082 19562 2861 1 6 . 1 1 66 66 GLY N N 66 104.938 104.938 108.723 -3.785 19562 2862 1 6 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.559 2.341 19562 2863 1 6 . 1 1 66 66 GLY H H 66 8.950 8.950 8.655 0.295 19562 2864 1 6 . 1 1 67 67 TYR N N 67 117.143 117.143 119.881 -2.738 19562 2865 1 6 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.519 0.043 19562 2866 1 6 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.845 -1.360 19562 2867 1 6 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.583 1.764 19562 2868 1 6 . 1 1 67 67 TYR H H 67 8.022 8.022 7.924 0.098 19562 2869 1 6 . 1 1 68 68 ASP N N 68 119.290 119.290 128.261 -8.971 19562 2870 1 6 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.172 -0.342 19562 2871 1 6 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.605 1.837 19562 2872 1 6 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.118 3.898 19562 2873 1 6 . 1 1 68 68 ASP H H 68 8.656 8.656 8.955 -0.299 19562 2874 1 6 . 1 1 69 69 SER N N 69 119.561 119.561 120.661 -1.100 19562 2875 1 6 . 1 1 69 69 SER HA H 69 4.040 4.040 4.116 -0.076 19562 2876 1 6 . 1 1 69 69 SER CB C 69 59.170 59.170 62.080 -2.910 19562 2877 1 6 . 1 1 69 69 SER H H 69 8.957 8.957 8.597 0.360 19562 2878 1 6 . 1 1 70 70 ASN N N 70 119.438 119.438 110.940 8.498 19562 2879 1 6 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.473 0.658 19562 2880 1 6 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.437 -2.449 19562 2881 1 6 . 1 1 70 70 ASN CB C 70 37.278 37.278 36.816 0.462 19562 2882 1 6 . 1 1 70 70 ASN H H 70 8.502 8.502 8.814 -0.312 19562 2883 1 6 . 1 1 71 71 LEU N N 71 120.481 120.481 119.844 0.637 19562 2884 1 6 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.805 0.760 19562 2885 1 6 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.953 -0.502 19562 2886 1 6 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.489 2.248 19562 2887 1 6 . 1 1 71 71 LEU H H 71 8.807 8.807 7.692 1.115 19562 2888 1 6 . 1 1 72 72 PHE N N 72 120.815 120.815 127.252 -6.437 19562 2889 1 6 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.430 0.097 19562 2890 1 6 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.399 -0.215 19562 2891 1 6 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.541 1.321 19562 2892 1 6 . 1 1 72 72 PHE H H 72 9.439 9.439 9.721 -0.282 19562 2893 1 6 . 1 1 73 73 SER N N 73 120.270 120.270 118.782 1.488 19562 2894 1 6 . 1 1 73 73 SER HA H 73 5.387 5.387 4.367 1.020 19562 2895 1 6 . 1 1 73 73 SER CA C 73 54.994 54.994 55.090 -0.096 19562 2896 1 6 . 1 1 73 73 SER CB C 73 66.409 66.409 65.531 0.878 19562 2897 1 6 . 1 1 73 73 SER H H 73 8.597 8.597 8.142 0.455 19562 2898 1 6 . 1 1 74 74 PHE N N 74 117.157 117.157 116.025 1.132 19562 2899 1 6 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.202 0.059 19562 2900 1 6 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.060 -0.361 19562 2901 1 6 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.266 0.637 19562 2902 1 6 . 1 1 74 74 PHE H H 74 8.050 8.050 7.697 0.353 19562 2903 1 6 . 1 1 75 75 GLU HA H 75 5.736 5.736 5.026 0.710 19562 2904 1 6 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.321 -2.611 19562 2905 1 6 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.628 0.192 19562 2906 1 6 . 1 1 76 76 SER N N 76 123.656 123.656 123.044 0.612 19562 2907 1 6 . 1 1 76 76 SER HA H 76 5.243 5.243 5.217 0.026 19562 2908 1 6 . 1 1 76 76 SER CA C 76 56.906 56.906 56.904 0.002 19562 2909 1 6 . 1 1 76 76 SER CB C 76 67.886 67.886 64.144 3.743 19562 2910 1 6 . 1 1 76 76 SER H H 76 9.930 9.930 8.957 0.973 19562 2911 1 6 . 1 1 77 77 GLY N N 77 105.906 105.906 112.909 -7.003 19562 2912 1 6 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.763 -0.763 19562 2913 1 6 . 1 1 77 77 GLY H H 77 8.939 8.939 9.088 -0.149 19562 2914 1 6 . 1 1 78 78 ARG N N 78 114.676 114.676 119.805 -5.129 19562 2915 1 6 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.548 -0.531 19562 2916 1 6 . 1 1 78 78 ARG H H 78 9.680 9.680 7.995 1.685 19562 2917 1 6 . 1 1 79 79 ARG N N 79 121.801 121.801 119.412 2.389 19562 2918 1 6 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.248 0.325 19562 2919 1 6 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.119 -2.191 19562 2920 1 6 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.540 -3.470 19562 2921 1 6 . 1 1 79 79 ARG H H 79 9.389 9.389 8.576 0.813 19562 2922 1 6 . 1 1 80 80 CYS N N 80 113.901 113.901 119.147 -5.246 19562 2923 1 6 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.612 0.276 19562 2924 1 6 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.842 -0.877 19562 2925 1 6 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.724 -1.126 19562 2926 1 6 . 1 1 80 80 CYS H H 80 7.994 7.994 8.158 -0.164 19562 2927 1 6 . 1 1 81 81 GLN N N 81 122.839 122.839 124.398 -1.559 19562 2928 1 6 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.888 0.208 19562 2929 1 6 . 1 1 81 81 GLN CA C 81 58.939 58.939 59.165 -0.226 19562 2930 1 6 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.931 -0.591 19562 2931 1 6 . 1 1 81 81 GLN H H 81 8.950 8.950 8.863 0.087 19562 2932 1 6 . 1 1 82 82 THR N N 82 107.297 107.297 107.092 0.205 19562 2933 1 6 . 1 1 82 82 THR HA H 82 4.207 4.207 4.407 -0.200 19562 2934 1 6 . 1 1 82 82 THR CA C 82 63.147 63.147 60.954 2.193 19562 2935 1 6 . 1 1 82 82 THR CB C 82 70.591 70.591 68.188 2.403 19562 2936 1 6 . 1 1 82 82 THR H H 82 8.345 8.345 8.038 0.307 19562 2937 1 6 . 1 1 83 83 GLY N N 83 112.681 112.681 109.348 3.333 19562 2938 1 6 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.857 -1.863 19562 2939 1 6 . 1 1 83 83 GLY H H 83 7.820 7.820 7.740 0.080 19562 2940 1 6 . 1 1 84 84 GLN N N 84 119.972 119.972 116.451 3.521 19562 2941 1 6 . 1 1 84 84 GLN H H 84 8.622 8.622 8.801 -0.179 19562 2942 1 6 . 1 1 85 85 GLY N N 85 111.040 111.040 104.456 6.584 19562 2943 1 6 . 1 1 85 85 GLY H H 85 8.056 8.056 8.046 0.010 19562 2944 1 6 . 1 1 86 86 ILE N N 86 121.645 121.645 124.359 -2.714 19562 2945 1 6 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.544 -0.258 19562 2946 1 6 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.198 -2.036 19562 2947 1 6 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.766 1.776 19562 2948 1 6 . 1 1 86 86 ILE H H 86 8.021 8.021 8.164 -0.143 19562 2949 1 6 . 1 1 87 87 PHE N N 87 123.890 123.890 129.946 -6.056 19562 2950 1 6 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.563 0.063 19562 2951 1 6 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.301 0.643 19562 2952 1 6 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.136 0.866 19562 2953 1 6 . 1 1 87 87 PHE H H 87 8.476 8.476 8.708 -0.232 19562 2954 1 6 . 1 1 88 88 ALA N N 88 124.824 124.824 128.999 -4.175 19562 2955 1 6 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.013 1.268 19562 2956 1 6 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.641 0.563 19562 2957 1 6 . 1 1 88 88 ALA CB C 88 22.335 22.335 20.996 1.339 19562 2958 1 6 . 1 1 88 88 ALA H H 88 9.149 9.149 8.037 1.112 19562 2959 1 6 . 1 1 89 89 PHE N N 89 118.047 118.047 119.135 -1.088 19562 2960 1 6 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.900 0.545 19562 2961 1 6 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.797 -0.092 19562 2962 1 6 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.710 0.786 19562 2963 1 6 . 1 1 89 89 PHE H H 89 9.423 9.423 9.010 0.413 19562 2964 1 6 . 1 1 90 90 LYS N N 90 122.937 122.937 125.154 -2.217 19562 2965 1 6 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.509 0.996 19562 2966 1 6 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.405 -1.577 19562 2967 1 6 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.733 2.280 19562 2968 1 6 . 1 1 90 90 LYS H H 90 9.943 9.943 9.019 0.924 19562 2969 1 6 . 1 1 91 91 CYS N N 91 126.115 126.115 122.782 3.333 19562 2970 1 6 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.559 0.194 19562 2971 1 6 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.203 0.972 19562 2972 1 6 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.707 -0.898 19562 2973 1 6 . 1 1 91 91 CYS H H 91 9.689 9.689 8.316 1.373 19562 2974 1 6 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.440 -0.009 19562 2975 1 6 . 1 1 92 92 ALA CA C 92 54.710 54.710 53.689 1.021 19562 2976 1 6 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.617 -0.754 19562 2977 1 6 . 1 1 93 93 ARG N N 93 117.248 117.248 117.329 -0.081 19562 2978 1 6 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.310 0.702 19562 2979 1 6 . 1 1 93 93 ARG CA C 93 53.957 53.957 54.404 -0.447 19562 2980 1 6 . 1 1 93 93 ARG CB C 93 30.803 30.803 28.825 1.978 19562 2981 1 6 . 1 1 93 93 ARG H H 93 7.964 7.964 7.387 0.577 19562 2982 1 6 . 1 1 94 94 ALA N N 94 122.369 122.369 124.445 -2.076 19562 2983 1 6 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.992 -0.469 19562 2984 1 6 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.581 -0.610 19562 2985 1 6 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.830 -0.734 19562 2986 1 6 . 1 1 94 94 ALA H H 94 7.310 7.310 8.371 -1.061 19562 2987 1 6 . 1 1 95 95 GLU N N 95 116.205 116.205 118.970 -2.765 19562 2988 1 6 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.522 -0.042 19562 2989 1 6 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.123 -0.427 19562 2990 1 6 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.770 1.291 19562 2991 1 6 . 1 1 95 95 GLU H H 95 8.376 8.376 8.451 -0.075 19562 2992 1 6 . 1 1 96 96 GLU N N 96 119.188 119.188 120.058 -0.870 19562 2993 1 6 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.079 -0.112 19562 2994 1 6 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.776 0.124 19562 2995 1 6 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.136 0.894 19562 2996 1 6 . 1 1 96 96 GLU H H 96 7.418 7.418 7.827 -0.409 19562 2997 1 6 . 1 1 97 97 LEU N N 97 123.654 123.654 121.069 2.585 19562 2998 1 6 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.153 -1.139 19562 2999 1 6 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.468 0.251 19562 3000 1 6 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.926 -0.913 19562 3001 1 6 . 1 1 97 97 LEU H H 97 7.847 7.847 8.649 -0.802 19562 3002 1 6 . 1 1 98 98 PHE N N 98 118.746 118.746 119.403 -0.657 19562 3003 1 6 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.300 -0.507 19562 3004 1 6 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.469 0.227 19562 3005 1 6 . 1 1 98 98 PHE H H 98 8.076 8.076 8.999 -0.923 19562 3006 1 6 . 1 1 99 99 ASN N N 99 117.017 117.017 118.505 -1.488 19562 3007 1 6 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.207 0.013 19562 3008 1 6 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.844 -0.378 19562 3009 1 6 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.496 -1.215 19562 3010 1 6 . 1 1 99 99 ASN H H 99 8.622 8.622 7.895 0.727 19562 3011 1 6 . 1 1 100 100 MET N N 100 121.914 121.914 119.975 1.939 19562 3012 1 6 . 1 1 100 100 MET HA H 100 4.061 4.061 4.019 0.042 19562 3013 1 6 . 1 1 100 100 MET CA C 100 58.699 58.699 59.044 -0.345 19562 3014 1 6 . 1 1 100 100 MET CB C 100 32.048 32.048 32.642 -0.594 19562 3015 1 6 . 1 1 100 100 MET H H 100 8.316 8.316 8.294 0.022 19562 3016 1 6 . 1 1 101 101 LEU N N 101 121.094 121.094 120.535 0.559 19562 3017 1 6 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.078 -0.498 19562 3018 1 6 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.060 -0.634 19562 3019 1 6 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.412 -0.312 19562 3020 1 6 . 1 1 101 101 LEU H H 101 8.047 8.047 8.762 -0.715 19562 3021 1 6 . 1 1 102 102 GLN N N 102 116.417 116.417 117.351 -0.934 19562 3022 1 6 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.102 -0.188 19562 3023 1 6 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.853 -0.407 19562 3024 1 6 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.197 0.490 19562 3025 1 6 . 1 1 102 102 GLN H H 102 8.195 8.195 8.526 -0.331 19562 3026 1 6 . 1 1 103 103 GLU N N 103 119.096 119.096 120.048 -0.952 19562 3027 1 6 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.102 -0.194 19562 3028 1 6 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.821 0.097 19562 3029 1 6 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.459 -0.398 19562 3030 1 6 . 1 1 103 103 GLU H H 103 7.635 7.635 8.324 -0.689 19562 3031 1 6 . 1 1 104 104 ILE N N 104 120.803 120.803 121.590 -0.787 19562 3032 1 6 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.597 0.004 19562 3033 1 6 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.568 -0.858 19562 3034 1 6 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.818 0.232 19562 3035 1 6 . 1 1 104 104 ILE H H 104 7.965 7.965 8.809 -0.844 19562 3036 1 6 . 1 1 105 105 MET N N 105 117.016 117.016 118.514 -1.498 19562 3037 1 6 . 1 1 105 105 MET HA H 105 4.020 4.020 4.144 -0.124 19562 3038 1 6 . 1 1 105 105 MET CA C 105 57.384 57.384 59.721 -2.337 19562 3039 1 6 . 1 1 105 105 MET H H 105 8.145 8.145 8.622 -0.477 19562 3040 1 6 . 1 1 106 106 GLN N N 106 116.150 116.150 117.198 -1.048 19562 3041 1 6 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.125 0.078 19562 3042 1 6 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.715 -2.074 19562 3043 1 6 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.484 -0.371 19562 3044 1 6 . 1 1 106 106 GLN H H 106 7.930 7.930 8.015 -0.085 19562 3045 1 6 . 1 1 107 107 ASN N N 107 117.360 117.360 116.226 1.134 19562 3046 1 6 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.719 0.001 19562 3047 1 6 . 1 1 107 107 ASN CA C 107 53.497 53.497 55.001 -1.504 19562 3048 1 6 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.336 -0.777 19562 3049 1 6 . 1 1 107 107 ASN H H 107 7.872 7.872 8.490 -0.618 19562 3050 1 6 . 1 1 108 108 ASN N N 108 118.611 118.611 117.403 1.208 19562 3051 1 6 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.857 -0.097 19562 3052 1 6 . 1 1 108 108 ASN CA C 108 52.700 52.700 53.835 -1.135 19562 3053 1 6 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.415 -0.897 19562 3054 1 6 . 1 1 108 108 ASN H H 108 8.144 8.144 8.443 -0.299 19562 3055 1 6 . 1 1 109 109 SER N N 109 115.704 115.704 112.509 3.195 19562 3056 1 6 . 1 1 109 109 SER HA H 109 4.519 4.519 4.058 0.461 19562 3057 1 6 . 1 1 109 109 SER CA C 109 57.700 57.700 60.657 -2.957 19562 3058 1 6 . 1 1 109 109 SER CB C 109 63.150 63.150 62.474 0.677 19562 3059 1 6 . 1 1 109 109 SER H H 109 8.215 8.215 7.912 0.303 19562 3060 1 6 . 1 1 110 110 ILE N N 110 121.954 121.954 121.341 0.613 19562 3061 1 6 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.785 0.427 19562 3062 1 6 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.225 -1.339 19562 3063 1 6 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.907 1.328 19562 3064 1 6 . 1 1 110 110 ILE H H 110 8.061 8.061 7.813 0.248 19562 3065 1 6 . 1 1 111 111 ASN N N 111 122.386 122.386 122.881 -0.495 19562 3066 1 6 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.986 -0.204 19562 3067 1 6 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.229 0.505 19562 3068 1 6 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.648 -1.848 19562 3069 1 6 . 1 1 111 111 ASN H H 111 8.376 8.376 8.450 -0.074 19562 3070 1 6 . 1 1 112 112 VAL N N 112 120.830 120.830 122.744 -1.914 19562 3071 1 6 . 1 1 112 112 VAL HA H 112 4.185 4.185 3.976 0.209 19562 3072 1 6 . 1 1 112 112 VAL CA C 112 61.660 61.660 63.255 -1.595 19562 3073 1 6 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.374 -0.044 19562 3074 1 6 . 1 1 112 112 VAL H H 112 8.067 8.067 8.421 -0.354 19562 3075 1 6 . 1 1 113 113 VAL N N 113 124.249 124.249 115.981 8.268 19562 3076 1 6 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.150 -0.035 19562 3077 1 6 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.806 -0.356 19562 3078 1 6 . 1 1 113 113 VAL CB C 113 32.345 32.345 34.720 -2.375 19562 3079 1 6 . 1 1 113 113 VAL H H 113 8.167 8.167 7.299 0.868 19562 3080 1 6 . 1 1 114 114 GLU N N 114 125.288 125.288 118.494 6.794 19562 3081 1 6 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.075 0.234 19562 3082 1 6 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.169 -1.479 19562 3083 1 6 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.095 0.955 19562 3084 1 6 . 1 1 114 114 GLU H H 114 8.405 8.405 8.337 0.068 19562 3085 1 6 . 1 1 115 115 GLU N N 115 123.990 123.990 120.334 3.656 19562 3086 1 6 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.774 -0.211 19562 3087 1 6 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.365 -0.640 19562 3088 1 6 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.952 -0.517 19562 3089 1 6 . 1 1 115 115 GLU H H 115 8.392 8.392 8.263 0.129 19562 3090 1 6 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.401 0.029 19562 3091 1 6 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.463 0.207 19562 3092 1 6 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.610 1.045 19562 3093 1 6 . 1 1 117 117 VAL N N 117 121.339 121.339 117.015 4.324 19562 3094 1 6 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.748 0.328 19562 3095 1 6 . 1 1 117 117 VAL CA C 117 61.990 61.990 61.854 0.136 19562 3096 1 6 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.802 0.018 19562 3097 1 6 . 1 1 117 117 VAL H H 117 8.266 8.266 8.147 0.119 19562 3098 1 6 . 1 1 118 118 VAL N N 118 124.762 124.762 128.064 -3.302 19562 3099 1 6 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.960 0.156 19562 3100 1 6 . 1 1 118 118 VAL H H 118 8.202 8.202 8.405 -0.203 19562 3101 1 6 . 1 1 119 119 GLU N N 119 125.304 125.304 125.600 -0.296 19562 3102 1 6 . 1 1 119 119 GLU H H 119 8.479 8.479 8.380 0.099 19562 3103 1 6 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.344 0.051 19562 3104 1 6 . 1 1 120 120 ARG CA C 120 55.350 55.350 55.712 -0.362 19562 3105 1 6 . 1 1 120 120 ARG CB C 120 30.565 30.565 28.463 2.102 19562 3106 1 6 . 1 1 121 121 ASN N N 121 120.465 120.465 119.189 1.276 19562 3107 1 6 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.762 -0.008 19562 3108 1 6 . 1 1 121 121 ASN H H 121 8.536 8.536 8.231 0.305 19562 3109 1 7 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.826 -0.207 19562 3110 1 7 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.602 -0.454 19562 3111 1 7 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.222 -0.613 19562 3112 1 7 . 1 1 10 10 MET N N 10 120.964 120.964 122.762 -1.798 19562 3113 1 7 . 1 1 10 10 MET HA H 10 4.395 4.395 4.368 0.027 19562 3114 1 7 . 1 1 10 10 MET CA C 10 55.153 55.153 57.127 -1.974 19562 3115 1 7 . 1 1 10 10 MET CB C 10 32.293 32.293 33.508 -1.215 19562 3116 1 7 . 1 1 10 10 MET H H 10 8.274 8.274 8.372 -0.098 19562 3117 1 7 . 1 1 11 11 ASP N N 11 120.989 120.989 118.893 2.096 19562 3118 1 7 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.709 0.037 19562 3119 1 7 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.542 0.658 19562 3120 1 7 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.468 -0.267 19562 3121 1 7 . 1 1 11 11 ASP H H 11 8.281 8.281 8.088 0.193 19562 3122 1 7 . 1 1 12 12 THR N N 12 113.244 113.244 113.003 0.241 19562 3123 1 7 . 1 1 12 12 THR HA H 12 4.312 4.312 4.180 0.132 19562 3124 1 7 . 1 1 12 12 THR CA C 12 61.218 61.218 61.990 -0.773 19562 3125 1 7 . 1 1 12 12 THR CB C 12 69.316 69.316 67.538 1.778 19562 3126 1 7 . 1 1 12 12 THR H H 12 7.979 7.979 7.673 0.306 19562 3127 1 7 . 1 1 13 13 VAL N N 13 123.579 123.579 125.088 -1.509 19562 3128 1 7 . 1 1 13 13 VAL HA H 13 4.404 4.404 3.935 0.469 19562 3129 1 7 . 1 1 13 13 VAL CA C 13 59.234 59.234 61.809 -2.575 19562 3130 1 7 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.046 0.253 19562 3131 1 7 . 1 1 13 13 VAL H H 13 8.021 8.021 7.661 0.360 19562 3132 1 7 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.448 -0.021 19562 3133 1 7 . 1 1 14 14 PRO CA C 14 62.900 62.900 64.442 -1.542 19562 3134 1 7 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.764 -0.974 19562 3135 1 7 . 1 1 15 15 ASP N N 15 120.556 120.556 116.335 4.221 19562 3136 1 7 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.603 -0.151 19562 3137 1 7 . 1 1 15 15 ASP CA C 15 54.421 54.421 52.525 1.896 19562 3138 1 7 . 1 1 15 15 ASP CB C 15 40.558 40.558 42.933 -2.375 19562 3139 1 7 . 1 1 15 15 ASP H H 15 8.471 8.471 7.901 0.570 19562 3140 1 7 . 1 1 16 16 ASN N N 16 116.991 116.991 118.093 -1.102 19562 3141 1 7 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.285 0.319 19562 3142 1 7 . 1 1 16 16 ASN CA C 16 52.282 52.282 54.097 -1.815 19562 3143 1 7 . 1 1 16 16 ASN CB C 16 37.731 37.731 37.232 0.499 19562 3144 1 7 . 1 1 16 16 ASN H H 16 8.111 8.111 8.206 -0.095 19562 3145 1 7 . 1 1 17 17 HIS N N 17 119.335 119.335 123.804 -4.469 19562 3146 1 7 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.684 -0.272 19562 3147 1 7 . 1 1 17 17 HIS CA C 17 56.436 56.436 56.335 0.101 19562 3148 1 7 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.174 -0.165 19562 3149 1 7 . 1 1 17 17 HIS H H 17 8.014 8.014 7.800 0.214 19562 3150 1 7 . 1 1 18 18 ARG N N 18 122.269 122.269 120.537 1.732 19562 3151 1 7 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.281 -0.298 19562 3152 1 7 . 1 1 18 18 ARG CA C 18 57.419 57.419 57.514 -0.095 19562 3153 1 7 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.959 -1.178 19562 3154 1 7 . 1 1 18 18 ARG H H 18 8.209 8.209 8.591 -0.382 19562 3155 1 7 . 1 1 19 19 ASN N N 19 114.495 114.495 114.173 0.322 19562 3156 1 7 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.298 0.417 19562 3157 1 7 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.457 -0.734 19562 3158 1 7 . 1 1 19 19 ASN CB C 19 38.034 38.034 39.052 -1.018 19562 3159 1 7 . 1 1 19 19 ASN H H 19 8.565 8.565 8.143 0.422 19562 3160 1 7 . 1 1 20 20 LYS N N 20 117.932 117.932 122.519 -4.587 19562 3161 1 7 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.234 1.023 19562 3162 1 7 . 1 1 20 20 LYS CA C 20 54.736 54.736 56.493 -1.757 19562 3163 1 7 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.653 3.362 19562 3164 1 7 . 1 1 20 20 LYS H H 20 7.040 7.040 7.918 -0.878 19562 3165 1 7 . 1 1 21 21 PHE N N 21 120.620 120.620 125.831 -5.211 19562 3166 1 7 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.595 -0.086 19562 3167 1 7 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.472 1.449 19562 3168 1 7 . 1 1 21 21 PHE CB C 21 42.198 42.198 40.533 1.665 19562 3169 1 7 . 1 1 21 21 PHE H H 21 9.389 9.389 8.343 1.046 19562 3170 1 7 . 1 1 22 22 LYS N N 22 125.637 125.637 127.317 -1.680 19562 3171 1 7 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.420 0.317 19562 3172 1 7 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.193 0.779 19562 3173 1 7 . 1 1 22 22 LYS CB C 22 31.306 31.306 30.970 0.336 19562 3174 1 7 . 1 1 22 22 LYS H H 22 9.258 9.258 8.942 0.316 19562 3175 1 7 . 1 1 23 23 VAL N N 23 118.282 118.282 118.730 -0.448 19562 3176 1 7 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.441 1.186 19562 3177 1 7 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.406 -1.021 19562 3178 1 7 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.974 2.542 19562 3179 1 7 . 1 1 23 23 VAL H H 23 8.672 8.672 8.157 0.515 19562 3180 1 7 . 1 1 24 24 ILE N N 24 120.397 120.397 118.984 1.413 19562 3181 1 7 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.413 0.400 19562 3182 1 7 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.927 0.234 19562 3183 1 7 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.011 3.057 19562 3184 1 7 . 1 1 24 24 ILE H H 24 8.824 8.824 8.206 0.618 19562 3185 1 7 . 1 1 25 25 ASN N N 25 127.655 127.655 126.563 1.092 19562 3186 1 7 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.790 -0.289 19562 3187 1 7 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.406 0.795 19562 3188 1 7 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.519 1.001 19562 3189 1 7 . 1 1 25 25 ASN H H 25 9.232 9.232 8.528 0.704 19562 3190 1 7 . 1 1 26 26 VAL N N 26 116.322 116.322 115.170 1.152 19562 3191 1 7 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.252 0.290 19562 3192 1 7 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.529 -1.757 19562 3193 1 7 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.757 0.513 19562 3194 1 7 . 1 1 26 26 VAL H H 26 7.680 7.680 7.578 0.102 19562 3195 1 7 . 1 1 27 27 ASP N N 27 117.000 117.000 125.374 -8.374 19562 3196 1 7 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.861 -0.768 19562 3197 1 7 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.365 -2.403 19562 3198 1 7 . 1 1 27 27 ASP H H 27 7.500 7.500 8.126 -0.626 19562 3199 1 7 . 1 1 28 28 ASP N N 28 112.540 112.540 124.639 -12.099 19562 3200 1 7 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.298 -0.127 19562 3201 1 7 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.051 0.247 19562 3202 1 7 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.969 -0.885 19562 3203 1 7 . 1 1 28 28 ASP H H 28 7.922 7.922 8.957 -1.035 19562 3204 1 7 . 1 1 29 29 ASP N N 29 115.319 115.319 116.703 -1.384 19562 3205 1 7 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.646 0.099 19562 3206 1 7 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.902 -0.451 19562 3207 1 7 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.405 0.599 19562 3208 1 7 . 1 1 29 29 ASP H H 29 7.809 7.809 7.953 -0.144 19562 3209 1 7 . 1 1 30 30 GLY N N 30 108.887 108.887 108.954 -0.067 19562 3210 1 7 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.336 -0.847 19562 3211 1 7 . 1 1 30 30 GLY H H 30 8.196 8.196 8.256 -0.060 19562 3212 1 7 . 1 1 31 31 ASN N N 31 119.906 119.906 119.198 0.708 19562 3213 1 7 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.675 -0.192 19562 3214 1 7 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.702 0.499 19562 3215 1 7 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.147 -1.536 19562 3216 1 7 . 1 1 31 31 ASN H H 31 8.643 8.643 7.908 0.735 19562 3217 1 7 . 1 1 32 32 GLU N N 32 119.114 119.114 125.832 -6.718 19562 3218 1 7 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.135 -0.236 19562 3219 1 7 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.264 0.197 19562 3220 1 7 . 1 1 32 32 GLU H H 32 8.525 8.525 8.854 -0.329 19562 3221 1 7 . 1 1 33 33 LEU N N 33 126.117 126.117 122.335 3.782 19562 3222 1 7 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.441 0.168 19562 3223 1 7 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.954 -1.029 19562 3224 1 7 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.508 -0.751 19562 3225 1 7 . 1 1 33 33 LEU H H 33 8.817 8.817 8.089 0.728 19562 3226 1 7 . 1 1 34 34 GLY N N 34 108.970 108.970 104.490 4.480 19562 3227 1 7 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.511 0.478 19562 3228 1 7 . 1 1 34 34 GLY H H 34 8.228 8.228 7.748 0.480 19562 3229 1 7 . 1 1 35 35 SER N N 35 118.388 118.388 117.430 0.958 19562 3230 1 7 . 1 1 35 35 SER HA H 35 5.465 5.465 4.947 0.518 19562 3231 1 7 . 1 1 35 35 SER CA C 35 57.205 57.205 56.421 0.784 19562 3232 1 7 . 1 1 35 35 SER CB C 35 65.393 65.393 64.706 0.687 19562 3233 1 7 . 1 1 35 35 SER H H 35 8.776 8.776 8.282 0.494 19562 3234 1 7 . 1 1 36 36 GLY N N 36 109.081 109.081 110.363 -1.282 19562 3235 1 7 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.278 2.207 19562 3236 1 7 . 1 1 36 36 GLY H H 36 9.013 9.013 8.326 0.687 19562 3237 1 7 . 1 1 37 37 ILE N N 37 121.560 121.560 118.857 2.703 19562 3238 1 7 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.432 0.672 19562 3239 1 7 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.649 -1.527 19562 3240 1 7 . 1 1 37 37 ILE CB C 37 40.465 40.465 40.813 -0.348 19562 3241 1 7 . 1 1 37 37 ILE H H 37 8.779 8.779 8.503 0.276 19562 3242 1 7 . 1 1 38 38 MET N N 38 128.553 128.553 122.222 6.331 19562 3243 1 7 . 1 1 38 38 MET HA H 38 5.735 5.735 4.898 0.837 19562 3244 1 7 . 1 1 38 38 MET CA C 38 53.008 53.008 53.702 -0.694 19562 3245 1 7 . 1 1 38 38 MET CB C 38 36.446 36.446 34.468 1.978 19562 3246 1 7 . 1 1 38 38 MET H H 38 9.827 9.827 8.959 0.868 19562 3247 1 7 . 1 1 39 39 GLU N N 39 129.378 129.378 127.619 1.759 19562 3248 1 7 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.401 1.099 19562 3249 1 7 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.320 -1.865 19562 3250 1 7 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.528 5.008 19562 3251 1 7 . 1 1 39 39 GLU H H 39 10.160 10.160 9.078 1.082 19562 3252 1 7 . 1 1 40 40 LEU N N 40 127.174 127.174 130.152 -2.978 19562 3253 1 7 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.389 0.689 19562 3254 1 7 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.684 -0.244 19562 3255 1 7 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.104 0.909 19562 3256 1 7 . 1 1 40 40 LEU H H 40 8.334 8.334 8.337 -0.003 19562 3257 1 7 . 1 1 41 41 THR N N 41 115.971 115.971 116.767 -0.796 19562 3258 1 7 . 1 1 41 41 THR HA H 41 5.012 5.012 4.587 0.425 19562 3259 1 7 . 1 1 41 41 THR CA C 41 59.113 59.113 59.645 -0.532 19562 3260 1 7 . 1 1 41 41 THR CB C 41 69.295 69.295 70.774 -1.479 19562 3261 1 7 . 1 1 41 41 THR H H 41 8.682 8.682 7.953 0.729 19562 3262 1 7 . 1 1 42 42 ASP N N 42 117.467 117.467 117.943 -0.476 19562 3263 1 7 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.210 0.405 19562 3264 1 7 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.677 -0.985 19562 3265 1 7 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.494 -0.703 19562 3266 1 7 . 1 1 42 42 ASP H H 42 8.794 8.794 8.598 0.196 19562 3267 1 7 . 1 1 43 43 THR N N 43 104.010 104.010 106.243 -2.233 19562 3268 1 7 . 1 1 43 43 THR HA H 43 4.412 4.412 3.505 0.907 19562 3269 1 7 . 1 1 43 43 THR CA C 43 61.601 61.601 61.724 -0.122 19562 3270 1 7 . 1 1 43 43 THR CB C 43 71.362 71.362 70.750 0.612 19562 3271 1 7 . 1 1 43 43 THR H H 43 7.763 7.763 7.272 0.491 19562 3272 1 7 . 1 1 44 44 GLU N N 44 118.980 118.980 121.253 -2.273 19562 3273 1 7 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.049 -0.879 19562 3274 1 7 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.380 -0.440 19562 3275 1 7 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.467 0.020 19562 3276 1 7 . 1 1 44 44 GLU H H 44 7.263 7.263 7.803 -0.540 19562 3277 1 7 . 1 1 45 45 LEU N N 45 122.138 122.138 126.486 -4.348 19562 3278 1 7 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.862 0.110 19562 3279 1 7 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.267 -0.546 19562 3280 1 7 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.653 1.585 19562 3281 1 7 . 1 1 45 45 LEU H H 45 8.314 8.314 9.141 -0.827 19562 3282 1 7 . 1 1 46 46 ILE N N 46 124.244 124.244 126.399 -2.155 19562 3283 1 7 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.444 0.280 19562 3284 1 7 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.940 1.370 19562 3285 1 7 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.182 4.308 19562 3286 1 7 . 1 1 46 46 ILE H H 46 9.154 9.154 8.851 0.303 19562 3287 1 7 . 1 1 47 47 LEU N N 47 127.510 127.510 131.387 -3.877 19562 3288 1 7 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.935 0.331 19562 3289 1 7 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.336 -1.630 19562 3290 1 7 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.918 2.818 19562 3291 1 7 . 1 1 47 47 LEU H H 47 9.378 9.378 8.258 1.120 19562 3292 1 7 . 1 1 48 48 TYR N N 48 128.014 128.014 127.021 0.993 19562 3293 1 7 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.857 0.177 19562 3294 1 7 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.156 0.281 19562 3295 1 7 . 1 1 48 48 TYR CB C 48 38.791 38.791 37.029 1.762 19562 3296 1 7 . 1 1 48 48 TYR H H 48 9.724 9.724 8.859 0.865 19562 3297 1 7 . 1 1 49 49 THR N N 49 115.097 115.097 116.660 -1.563 19562 3298 1 7 . 1 1 49 49 THR HA H 49 4.813 4.813 4.547 0.266 19562 3299 1 7 . 1 1 49 49 THR CA C 49 60.349 60.349 61.091 -0.742 19562 3300 1 7 . 1 1 49 49 THR CB C 49 70.967 70.967 70.418 0.549 19562 3301 1 7 . 1 1 49 49 THR H H 49 8.659 8.659 8.653 0.006 19562 3302 1 7 . 1 1 50 50 ARG N N 50 120.411 120.411 121.732 -1.321 19562 3303 1 7 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.139 0.060 19562 3304 1 7 . 1 1 50 50 ARG CA C 50 57.447 57.447 59.029 -1.582 19562 3305 1 7 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.108 -0.334 19562 3306 1 7 . 1 1 50 50 ARG H H 50 8.649 8.649 9.000 -0.351 19562 3307 1 7 . 1 1 51 51 LYS N N 51 117.579 117.579 116.590 0.989 19562 3308 1 7 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.484 -0.321 19562 3309 1 7 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.516 0.162 19562 3310 1 7 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.217 -0.860 19562 3311 1 7 . 1 1 51 51 LYS H H 51 8.406 8.406 8.126 0.280 19562 3312 1 7 . 1 1 52 52 ARG N N 52 116.662 116.662 120.948 -4.286 19562 3313 1 7 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.370 0.072 19562 3314 1 7 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.013 -0.708 19562 3315 1 7 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.768 0.982 19562 3316 1 7 . 1 1 52 52 ARG H H 52 7.973 7.973 7.903 0.070 19562 3317 1 7 . 1 1 53 53 ASP N N 53 119.760 119.760 115.807 3.953 19562 3318 1 7 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.341 0.419 19562 3319 1 7 . 1 1 53 53 ASP CA C 53 53.891 53.891 55.818 -1.927 19562 3320 1 7 . 1 1 53 53 ASP CB C 53 41.007 41.007 40.983 0.024 19562 3321 1 7 . 1 1 53 53 ASP H H 53 8.066 8.066 7.968 0.098 19562 3322 1 7 . 1 1 54 54 SER N N 54 116.756 116.756 116.553 0.203 19562 3323 1 7 . 1 1 54 54 SER HA H 54 4.891 4.891 4.276 0.615 19562 3324 1 7 . 1 1 54 54 SER CA C 54 57.072 57.072 59.548 -2.476 19562 3325 1 7 . 1 1 54 54 SER CB C 54 64.473 64.473 61.725 2.748 19562 3326 1 7 . 1 1 54 54 SER H H 54 8.477 8.477 8.279 0.198 19562 3327 1 7 . 1 1 55 55 VAL N N 55 122.716 122.716 125.289 -2.573 19562 3328 1 7 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.864 0.084 19562 3329 1 7 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.105 -2.649 19562 3330 1 7 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.473 1.065 19562 3331 1 7 . 1 1 55 55 VAL H H 55 8.334 8.334 9.018 -0.684 19562 3332 1 7 . 1 1 56 56 LYS N N 56 121.568 121.568 118.604 2.964 19562 3333 1 7 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.932 0.339 19562 3334 1 7 . 1 1 56 56 LYS CA C 56 53.691 53.691 53.976 -0.285 19562 3335 1 7 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.199 0.604 19562 3336 1 7 . 1 1 56 56 LYS H H 56 7.501 7.501 8.249 -0.748 19562 3337 1 7 . 1 1 57 57 TRP N N 57 123.638 123.638 121.825 1.813 19562 3338 1 7 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.857 -0.192 19562 3339 1 7 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.234 1.528 19562 3340 1 7 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.343 0.207 19562 3341 1 7 . 1 1 57 57 TRP H H 57 9.453 9.453 8.814 0.639 19562 3342 1 7 . 1 1 58 58 HIS N N 58 125.312 125.312 125.721 -0.409 19562 3343 1 7 . 1 1 58 58 HIS HA H 58 4.539 4.539 4.953 -0.414 19562 3344 1 7 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.752 -0.568 19562 3345 1 7 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.168 -0.842 19562 3346 1 7 . 1 1 58 58 HIS H H 58 9.024 9.024 8.662 0.362 19562 3347 1 7 . 1 1 59 59 TYR N N 59 126.691 126.691 125.208 1.483 19562 3348 1 7 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.210 0.142 19562 3349 1 7 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.648 0.051 19562 3350 1 7 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.060 -1.534 19562 3351 1 7 . 1 1 59 59 TYR H H 59 8.079 8.079 9.016 -0.937 19562 3352 1 7 . 1 1 60 60 LEU N N 60 114.859 114.859 119.746 -4.887 19562 3353 1 7 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.370 -0.133 19562 3354 1 7 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.959 0.140 19562 3355 1 7 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.201 0.353 19562 3356 1 7 . 1 1 60 60 LEU H H 60 9.307 9.307 8.168 1.139 19562 3357 1 7 . 1 1 61 61 CYS N N 61 114.415 114.415 117.443 -3.028 19562 3358 1 7 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.634 0.612 19562 3359 1 7 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.181 -0.748 19562 3360 1 7 . 1 1 61 61 CYS CB C 61 28.066 28.066 29.954 -1.888 19562 3361 1 7 . 1 1 61 61 CYS H H 61 8.421 8.421 7.916 0.505 19562 3362 1 7 . 1 1 62 62 LEU N N 62 122.413 122.413 123.781 -1.368 19562 3363 1 7 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.236 0.511 19562 3364 1 7 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.798 -1.360 19562 3365 1 7 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.279 0.760 19562 3366 1 7 . 1 1 62 62 LEU H H 62 7.702 7.702 7.419 0.283 19562 3367 1 7 . 1 1 63 63 ARG N N 63 122.839 122.839 123.333 -0.494 19562 3368 1 7 . 1 1 63 63 ARG H H 63 9.301 9.301 8.952 0.349 19562 3369 1 7 . 1 1 64 64 ARG N N 64 111.512 111.512 117.667 -6.155 19562 3370 1 7 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.644 0.842 19562 3371 1 7 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.290 -1.645 19562 3372 1 7 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.782 3.223 19562 3373 1 7 . 1 1 64 64 ARG H H 64 7.457 7.457 7.689 -0.232 19562 3374 1 7 . 1 1 65 65 TYR N N 65 115.127 115.127 120.320 -5.193 19562 3375 1 7 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.149 0.391 19562 3376 1 7 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.195 0.994 19562 3377 1 7 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.819 -1.305 19562 3378 1 7 . 1 1 65 65 TYR H H 65 8.340 8.340 8.490 -0.150 19562 3379 1 7 . 1 1 66 66 GLY N N 66 104.938 104.938 108.679 -3.741 19562 3380 1 7 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.501 2.399 19562 3381 1 7 . 1 1 66 66 GLY H H 66 8.950 8.950 8.686 0.264 19562 3382 1 7 . 1 1 67 67 TYR N N 67 117.143 117.143 120.263 -3.120 19562 3383 1 7 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.576 -0.014 19562 3384 1 7 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.871 -1.386 19562 3385 1 7 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.189 2.158 19562 3386 1 7 . 1 1 67 67 TYR H H 67 8.022 8.022 7.958 0.064 19562 3387 1 7 . 1 1 68 68 ASP N N 68 119.290 119.290 125.859 -6.569 19562 3388 1 7 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.129 -0.299 19562 3389 1 7 . 1 1 68 68 ASP CA C 68 55.442 55.442 52.207 3.235 19562 3390 1 7 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.644 2.373 19562 3391 1 7 . 1 1 68 68 ASP H H 68 8.656 8.656 9.156 -0.500 19562 3392 1 7 . 1 1 69 69 SER N N 69 119.561 119.561 116.253 3.308 19562 3393 1 7 . 1 1 69 69 SER HA H 69 4.040 4.040 4.200 -0.160 19562 3394 1 7 . 1 1 69 69 SER CB C 69 59.170 59.170 62.829 -3.659 19562 3395 1 7 . 1 1 69 69 SER H H 69 8.957 8.957 8.551 0.406 19562 3396 1 7 . 1 1 70 70 ASN N N 70 119.438 119.438 118.410 1.028 19562 3397 1 7 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.528 0.604 19562 3398 1 7 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.442 -2.454 19562 3399 1 7 . 1 1 70 70 ASN CB C 70 37.278 37.278 36.920 0.358 19562 3400 1 7 . 1 1 70 70 ASN H H 70 8.502 8.502 8.845 -0.344 19562 3401 1 7 . 1 1 71 71 LEU N N 71 120.481 120.481 118.993 1.488 19562 3402 1 7 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.950 0.615 19562 3403 1 7 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.088 -0.637 19562 3404 1 7 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.569 1.167 19562 3405 1 7 . 1 1 71 71 LEU H H 71 8.807 8.807 8.535 0.272 19562 3406 1 7 . 1 1 72 72 PHE N N 72 120.815 120.815 126.923 -6.108 19562 3407 1 7 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.454 0.073 19562 3408 1 7 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.321 -0.137 19562 3409 1 7 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.566 1.297 19562 3410 1 7 . 1 1 72 72 PHE H H 72 9.439 9.439 9.724 -0.285 19562 3411 1 7 . 1 1 73 73 SER N N 73 120.270 120.270 119.135 1.135 19562 3412 1 7 . 1 1 73 73 SER HA H 73 5.387 5.387 4.212 1.175 19562 3413 1 7 . 1 1 73 73 SER CA C 73 54.994 54.994 55.092 -0.098 19562 3414 1 7 . 1 1 73 73 SER CB C 73 66.409 66.409 65.518 0.891 19562 3415 1 7 . 1 1 73 73 SER H H 73 8.597 8.597 8.248 0.349 19562 3416 1 7 . 1 1 74 74 PHE N N 74 117.157 117.157 117.230 -0.073 19562 3417 1 7 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.257 0.004 19562 3418 1 7 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.714 -0.015 19562 3419 1 7 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.273 0.630 19562 3420 1 7 . 1 1 74 74 PHE H H 74 8.050 8.050 7.723 0.327 19562 3421 1 7 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.784 0.952 19562 3422 1 7 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.952 -3.243 19562 3423 1 7 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.684 1.136 19562 3424 1 7 . 1 1 76 76 SER N N 76 123.656 123.656 122.924 0.732 19562 3425 1 7 . 1 1 76 76 SER HA H 76 5.243 5.243 5.165 0.078 19562 3426 1 7 . 1 1 76 76 SER CA C 76 56.906 56.906 57.026 -0.120 19562 3427 1 7 . 1 1 76 76 SER CB C 76 67.886 67.886 63.984 3.902 19562 3428 1 7 . 1 1 76 76 SER H H 76 9.930 9.930 8.925 1.005 19562 3429 1 7 . 1 1 77 77 GLY N N 77 105.906 105.906 110.922 -5.016 19562 3430 1 7 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.438 0.562 19562 3431 1 7 . 1 1 77 77 GLY H H 77 8.939 8.939 9.121 -0.182 19562 3432 1 7 . 1 1 78 78 ARG N N 78 114.676 114.676 118.868 -4.192 19562 3433 1 7 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.508 -0.491 19562 3434 1 7 . 1 1 78 78 ARG H H 78 9.680 9.680 7.366 2.314 19562 3435 1 7 . 1 1 79 79 ARG N N 79 121.801 121.801 122.657 -0.856 19562 3436 1 7 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.317 0.256 19562 3437 1 7 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.194 -2.265 19562 3438 1 7 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.617 -3.547 19562 3439 1 7 . 1 1 79 79 ARG H H 79 9.389 9.389 8.659 0.730 19562 3440 1 7 . 1 1 80 80 CYS N N 80 113.901 113.901 119.735 -5.834 19562 3441 1 7 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.532 0.356 19562 3442 1 7 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.922 -0.957 19562 3443 1 7 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.442 -0.844 19562 3444 1 7 . 1 1 80 80 CYS H H 80 7.994 7.994 8.079 -0.085 19562 3445 1 7 . 1 1 81 81 GLN N N 81 122.839 122.839 120.457 2.382 19562 3446 1 7 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.062 0.034 19562 3447 1 7 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.212 0.727 19562 3448 1 7 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.038 -0.698 19562 3449 1 7 . 1 1 81 81 GLN H H 81 8.950 8.950 8.618 0.332 19562 3450 1 7 . 1 1 82 82 THR N N 82 107.297 107.297 110.454 -3.157 19562 3451 1 7 . 1 1 82 82 THR HA H 82 4.207 4.207 4.445 -0.238 19562 3452 1 7 . 1 1 82 82 THR CA C 82 63.147 63.147 61.119 2.028 19562 3453 1 7 . 1 1 82 82 THR CB C 82 70.591 70.591 69.521 1.070 19562 3454 1 7 . 1 1 82 82 THR H H 82 8.345 8.345 8.355 -0.010 19562 3455 1 7 . 1 1 83 83 GLY N N 83 112.681 112.681 108.508 4.173 19562 3456 1 7 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.656 -1.662 19562 3457 1 7 . 1 1 83 83 GLY H H 83 7.820 7.820 7.930 -0.110 19562 3458 1 7 . 1 1 84 84 GLN N N 84 119.972 119.972 117.515 2.457 19562 3459 1 7 . 1 1 84 84 GLN H H 84 8.622 8.622 8.991 -0.369 19562 3460 1 7 . 1 1 85 85 GLY N N 85 111.040 111.040 103.674 7.366 19562 3461 1 7 . 1 1 85 85 GLY H H 85 8.056 8.056 7.929 0.127 19562 3462 1 7 . 1 1 86 86 ILE N N 86 121.645 121.645 124.085 -2.440 19562 3463 1 7 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.213 0.073 19562 3464 1 7 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.404 -2.242 19562 3465 1 7 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.479 2.063 19562 3466 1 7 . 1 1 86 86 ILE H H 86 8.021 8.021 8.399 -0.378 19562 3467 1 7 . 1 1 87 87 PHE N N 87 123.890 123.890 130.003 -6.113 19562 3468 1 7 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.479 0.147 19562 3469 1 7 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.640 0.304 19562 3470 1 7 . 1 1 87 87 PHE CB C 87 42.003 42.003 40.124 1.879 19562 3471 1 7 . 1 1 87 87 PHE H H 87 8.476 8.476 8.698 -0.222 19562 3472 1 7 . 1 1 88 88 ALA N N 88 124.824 124.824 129.209 -4.385 19562 3473 1 7 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.974 1.307 19562 3474 1 7 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.767 0.437 19562 3475 1 7 . 1 1 88 88 ALA CB C 88 22.335 22.335 20.862 1.473 19562 3476 1 7 . 1 1 88 88 ALA H H 88 9.149 9.149 8.041 1.108 19562 3477 1 7 . 1 1 89 89 PHE N N 89 118.047 118.047 118.830 -0.783 19562 3478 1 7 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.876 0.569 19562 3479 1 7 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.873 -0.168 19562 3480 1 7 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.735 0.761 19562 3481 1 7 . 1 1 89 89 PHE H H 89 9.423 9.423 8.960 0.463 19562 3482 1 7 . 1 1 90 90 LYS N N 90 122.937 122.937 124.852 -1.915 19562 3483 1 7 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.564 0.941 19562 3484 1 7 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.275 -1.447 19562 3485 1 7 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.678 2.335 19562 3486 1 7 . 1 1 90 90 LYS H H 90 9.943 9.943 9.074 0.869 19562 3487 1 7 . 1 1 91 91 CYS N N 91 126.115 126.115 123.523 2.592 19562 3488 1 7 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.641 0.112 19562 3489 1 7 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.051 1.124 19562 3490 1 7 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.556 -0.747 19562 3491 1 7 . 1 1 91 91 CYS H H 91 9.689 9.689 8.479 1.210 19562 3492 1 7 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.101 0.330 19562 3493 1 7 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.586 0.124 19562 3494 1 7 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.556 -0.693 19562 3495 1 7 . 1 1 93 93 ARG N N 93 117.248 117.248 118.184 -0.936 19562 3496 1 7 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.132 0.880 19562 3497 1 7 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.136 0.821 19562 3498 1 7 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.491 3.312 19562 3499 1 7 . 1 1 93 93 ARG H H 93 7.964 7.964 7.995 -0.031 19562 3500 1 7 . 1 1 94 94 ALA N N 94 122.369 122.369 123.848 -1.479 19562 3501 1 7 . 1 1 94 94 ALA HA H 94 3.523 3.523 4.006 -0.483 19562 3502 1 7 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.467 -0.496 19562 3503 1 7 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.897 -0.801 19562 3504 1 7 . 1 1 94 94 ALA H H 94 7.310 7.310 8.147 -0.837 19562 3505 1 7 . 1 1 95 95 GLU N N 95 116.205 116.205 117.943 -1.738 19562 3506 1 7 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.801 -0.321 19562 3507 1 7 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.040 -0.344 19562 3508 1 7 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.755 1.306 19562 3509 1 7 . 1 1 95 95 GLU H H 95 8.376 8.376 8.433 -0.057 19562 3510 1 7 . 1 1 96 96 GLU N N 96 119.188 119.188 120.280 -1.092 19562 3511 1 7 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.017 -0.050 19562 3512 1 7 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.773 0.127 19562 3513 1 7 . 1 1 96 96 GLU CB C 96 30.030 30.030 28.986 1.044 19562 3514 1 7 . 1 1 96 96 GLU H H 96 7.418 7.418 8.034 -0.616 19562 3515 1 7 . 1 1 97 97 LEU N N 97 123.654 123.654 120.807 2.847 19562 3516 1 7 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.085 -1.071 19562 3517 1 7 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.556 0.163 19562 3518 1 7 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.899 -0.886 19562 3519 1 7 . 1 1 97 97 LEU H H 97 7.847 7.847 8.634 -0.787 19562 3520 1 7 . 1 1 98 98 PHE N N 98 118.746 118.746 119.533 -0.787 19562 3521 1 7 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.332 -0.539 19562 3522 1 7 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.492 0.204 19562 3523 1 7 . 1 1 98 98 PHE H H 98 8.076 8.076 9.160 -1.084 19562 3524 1 7 . 1 1 99 99 ASN N N 99 117.017 117.017 117.644 -0.627 19562 3525 1 7 . 1 1 99 99 ASN HA H 99 4.220 4.220 3.879 0.341 19562 3526 1 7 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.981 -0.515 19562 3527 1 7 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.121 -0.840 19562 3528 1 7 . 1 1 99 99 ASN H H 99 8.622 8.622 8.437 0.185 19562 3529 1 7 . 1 1 100 100 MET N N 100 121.914 121.914 119.978 1.936 19562 3530 1 7 . 1 1 100 100 MET HA H 100 4.061 4.061 3.986 0.075 19562 3531 1 7 . 1 1 100 100 MET CA C 100 58.699 58.699 59.369 -0.670 19562 3532 1 7 . 1 1 100 100 MET CB C 100 32.048 32.048 32.363 -0.315 19562 3533 1 7 . 1 1 100 100 MET H H 100 8.316 8.316 8.477 -0.161 19562 3534 1 7 . 1 1 101 101 LEU N N 101 121.094 121.094 120.122 0.972 19562 3535 1 7 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.081 -0.501 19562 3536 1 7 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.315 -0.889 19562 3537 1 7 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.416 -0.316 19562 3538 1 7 . 1 1 101 101 LEU H H 101 8.047 8.047 8.657 -0.610 19562 3539 1 7 . 1 1 102 102 GLN N N 102 116.417 116.417 117.367 -0.950 19562 3540 1 7 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.111 -0.197 19562 3541 1 7 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.871 -0.425 19562 3542 1 7 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.245 0.442 19562 3543 1 7 . 1 1 102 102 GLN H H 102 8.195 8.195 8.501 -0.306 19562 3544 1 7 . 1 1 103 103 GLU N N 103 119.096 119.096 120.017 -0.921 19562 3545 1 7 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.074 -0.166 19562 3546 1 7 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.710 0.207 19562 3547 1 7 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.425 -0.364 19562 3548 1 7 . 1 1 103 103 GLU H H 103 7.635 7.635 8.496 -0.861 19562 3549 1 7 . 1 1 104 104 ILE N N 104 120.803 120.803 121.588 -0.785 19562 3550 1 7 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.566 0.035 19562 3551 1 7 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.058 -1.348 19562 3552 1 7 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.838 0.212 19562 3553 1 7 . 1 1 104 104 ILE H H 104 7.965 7.965 8.839 -0.874 19562 3554 1 7 . 1 1 105 105 MET N N 105 117.016 117.016 118.841 -1.825 19562 3555 1 7 . 1 1 105 105 MET HA H 105 4.020 4.020 4.128 -0.108 19562 3556 1 7 . 1 1 105 105 MET CA C 105 57.384 57.384 59.639 -2.255 19562 3557 1 7 . 1 1 105 105 MET H H 105 8.145 8.145 8.606 -0.461 19562 3558 1 7 . 1 1 106 106 GLN N N 106 116.150 116.150 117.249 -1.099 19562 3559 1 7 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.072 0.131 19562 3560 1 7 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.400 -1.759 19562 3561 1 7 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.474 -0.361 19562 3562 1 7 . 1 1 106 106 GLN H H 106 7.930 7.930 8.313 -0.384 19562 3563 1 7 . 1 1 107 107 ASN N N 107 117.360 117.360 113.901 3.459 19562 3564 1 7 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.766 -0.046 19562 3565 1 7 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.192 -0.695 19562 3566 1 7 . 1 1 107 107 ASN CB C 107 38.559 38.559 40.058 -1.499 19562 3567 1 7 . 1 1 107 107 ASN H H 107 7.872 7.872 8.157 -0.285 19562 3568 1 7 . 1 1 108 108 ASN N N 108 118.611 118.611 117.449 1.162 19562 3569 1 7 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.794 -0.034 19562 3570 1 7 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.619 -1.919 19562 3571 1 7 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.904 -1.386 19562 3572 1 7 . 1 1 108 108 ASN H H 108 8.144 8.144 8.484 -0.340 19562 3573 1 7 . 1 1 109 109 SER N N 109 115.704 115.704 111.800 3.904 19562 3574 1 7 . 1 1 109 109 SER HA H 109 4.519 4.519 4.115 0.404 19562 3575 1 7 . 1 1 109 109 SER CA C 109 57.700 57.700 60.736 -3.035 19562 3576 1 7 . 1 1 109 109 SER CB C 109 63.150 63.150 62.835 0.315 19562 3577 1 7 . 1 1 109 109 SER H H 109 8.215 8.215 7.928 0.287 19562 3578 1 7 . 1 1 110 110 ILE N N 110 121.954 121.954 119.617 2.337 19562 3579 1 7 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.706 0.506 19562 3580 1 7 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.541 -1.655 19562 3581 1 7 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.701 1.534 19562 3582 1 7 . 1 1 110 110 ILE H H 110 8.061 8.061 7.978 0.083 19562 3583 1 7 . 1 1 111 111 ASN N N 111 122.386 122.386 123.525 -1.139 19562 3584 1 7 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.969 -0.187 19562 3585 1 7 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.631 0.103 19562 3586 1 7 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.648 -1.848 19562 3587 1 7 . 1 1 111 111 ASN H H 111 8.376 8.376 8.475 -0.099 19562 3588 1 7 . 1 1 112 112 VAL N N 112 120.830 120.830 124.978 -4.148 19562 3589 1 7 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.204 -0.019 19562 3590 1 7 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.604 -0.944 19562 3591 1 7 . 1 1 112 112 VAL CB C 112 32.330 32.330 30.867 1.463 19562 3592 1 7 . 1 1 112 112 VAL H H 112 8.067 8.067 8.482 -0.415 19562 3593 1 7 . 1 1 113 113 VAL N N 113 124.249 124.249 120.661 3.588 19562 3594 1 7 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.666 0.449 19562 3595 1 7 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.628 -2.178 19562 3596 1 7 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.856 -0.511 19562 3597 1 7 . 1 1 113 113 VAL H H 113 8.167 8.167 7.246 0.921 19562 3598 1 7 . 1 1 114 114 GLU N N 114 125.288 125.288 118.484 6.804 19562 3599 1 7 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.040 0.269 19562 3600 1 7 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.247 -1.557 19562 3601 1 7 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.900 1.150 19562 3602 1 7 . 1 1 114 114 GLU H H 114 8.405 8.405 8.342 0.063 19562 3603 1 7 . 1 1 115 115 GLU N N 115 123.990 123.990 121.591 2.399 19562 3604 1 7 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.512 0.051 19562 3605 1 7 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.668 -0.943 19562 3606 1 7 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.073 -0.638 19562 3607 1 7 . 1 1 115 115 GLU H H 115 8.392 8.392 8.236 0.156 19562 3608 1 7 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.368 0.062 19562 3609 1 7 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.711 -0.041 19562 3610 1 7 . 1 1 116 116 PRO CB C 116 31.655 31.655 29.564 2.091 19562 3611 1 7 . 1 1 117 117 VAL N N 117 121.339 121.339 114.792 6.547 19562 3612 1 7 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.647 0.429 19562 3613 1 7 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.512 -0.522 19562 3614 1 7 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.413 0.407 19562 3615 1 7 . 1 1 117 117 VAL H H 117 8.266 8.266 8.189 0.077 19562 3616 1 7 . 1 1 118 118 VAL N N 118 124.762 124.762 125.235 -0.473 19562 3617 1 7 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.810 0.306 19562 3618 1 7 . 1 1 118 118 VAL H H 118 8.202 8.202 8.098 0.104 19562 3619 1 7 . 1 1 119 119 GLU N N 119 125.304 125.304 124.708 0.596 19562 3620 1 7 . 1 1 119 119 GLU H H 119 8.479 8.479 8.637 -0.158 19562 3621 1 7 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.272 0.123 19562 3622 1 7 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.076 -0.726 19562 3623 1 7 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.773 -0.207 19562 3624 1 7 . 1 1 121 121 ASN N N 121 120.465 120.465 120.638 -0.173 19562 3625 1 7 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.798 -0.044 19562 3626 1 7 . 1 1 121 121 ASN H H 121 8.536 8.536 8.529 0.007 19562 3627 1 8 . 1 1 9 9 HIS HA H 9 4.619 4.619 5.002 -0.383 19562 3628 1 8 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.352 0.796 19562 3629 1 8 . 1 1 9 9 HIS CB C 9 29.609 29.609 29.698 -0.089 19562 3630 1 8 . 1 1 10 10 MET N N 10 120.964 120.964 120.537 0.427 19562 3631 1 8 . 1 1 10 10 MET HA H 10 4.395 4.395 4.223 0.172 19562 3632 1 8 . 1 1 10 10 MET CA C 10 55.153 55.153 57.411 -2.258 19562 3633 1 8 . 1 1 10 10 MET CB C 10 32.293 32.293 32.998 -0.705 19562 3634 1 8 . 1 1 10 10 MET H H 10 8.274 8.274 8.015 0.259 19562 3635 1 8 . 1 1 11 11 ASP N N 11 120.989 120.989 115.149 5.840 19562 3636 1 8 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.872 -0.126 19562 3637 1 8 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.366 -0.166 19562 3638 1 8 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.874 -0.674 19562 3639 1 8 . 1 1 11 11 ASP H H 11 8.281 8.281 8.157 0.124 19562 3640 1 8 . 1 1 12 12 THR N N 12 113.244 113.244 113.757 -0.513 19562 3641 1 8 . 1 1 12 12 THR HA H 12 4.312 4.312 4.219 0.093 19562 3642 1 8 . 1 1 12 12 THR CA C 12 61.218 61.218 62.989 -1.771 19562 3643 1 8 . 1 1 12 12 THR CB C 12 69.316 69.316 69.053 0.263 19562 3644 1 8 . 1 1 12 12 THR H H 12 7.979 7.979 7.810 0.169 19562 3645 1 8 . 1 1 13 13 VAL N N 13 123.579 123.579 121.356 2.223 19562 3646 1 8 . 1 1 13 13 VAL HA H 13 4.404 4.404 3.930 0.474 19562 3647 1 8 . 1 1 13 13 VAL CA C 13 59.234 59.234 62.671 -3.437 19562 3648 1 8 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.182 0.117 19562 3649 1 8 . 1 1 13 13 VAL H H 13 8.021 8.021 7.948 0.073 19562 3650 1 8 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.725 -0.298 19562 3651 1 8 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.203 0.697 19562 3652 1 8 . 1 1 14 14 PRO CB C 14 31.790 31.790 33.011 -1.220 19562 3653 1 8 . 1 1 15 15 ASP N N 15 120.556 120.556 117.288 3.268 19562 3654 1 8 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.368 0.084 19562 3655 1 8 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.844 -2.423 19562 3656 1 8 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.063 -0.505 19562 3657 1 8 . 1 1 15 15 ASP H H 15 8.471 8.471 8.435 0.036 19562 3658 1 8 . 1 1 16 16 ASN N N 16 116.991 116.991 115.044 1.947 19562 3659 1 8 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.659 -0.055 19562 3660 1 8 . 1 1 16 16 ASN CA C 16 52.282 52.282 53.111 -0.829 19562 3661 1 8 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.085 -1.354 19562 3662 1 8 . 1 1 16 16 ASN H H 16 8.111 8.111 7.910 0.201 19562 3663 1 8 . 1 1 17 17 HIS N N 17 119.335 119.335 122.941 -3.606 19562 3664 1 8 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.916 -0.504 19562 3665 1 8 . 1 1 17 17 HIS CA C 17 56.436 56.436 54.492 1.944 19562 3666 1 8 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.924 -0.915 19562 3667 1 8 . 1 1 17 17 HIS H H 17 8.014 8.014 8.057 -0.043 19562 3668 1 8 . 1 1 18 18 ARG N N 18 122.269 122.269 118.988 3.281 19562 3669 1 8 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.878 0.105 19562 3670 1 8 . 1 1 18 18 ARG CA C 18 57.419 57.419 59.368 -1.949 19562 3671 1 8 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.280 -0.499 19562 3672 1 8 . 1 1 18 18 ARG H H 18 8.209 8.209 8.985 -0.776 19562 3673 1 8 . 1 1 19 19 ASN N N 19 114.495 114.495 113.314 1.181 19562 3674 1 8 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.140 0.575 19562 3675 1 8 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.428 -0.705 19562 3676 1 8 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.515 -0.481 19562 3677 1 8 . 1 1 19 19 ASN H H 19 8.565 8.565 6.696 1.869 19562 3678 1 8 . 1 1 20 20 LYS N N 20 117.932 117.932 122.145 -4.213 19562 3679 1 8 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.128 1.129 19562 3680 1 8 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.206 -0.470 19562 3681 1 8 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.595 3.420 19562 3682 1 8 . 1 1 20 20 LYS H H 20 7.040 7.040 7.032 0.008 19562 3683 1 8 . 1 1 21 21 PHE N N 21 120.620 120.620 127.651 -7.031 19562 3684 1 8 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.566 -0.057 19562 3685 1 8 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.547 1.374 19562 3686 1 8 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.945 0.253 19562 3687 1 8 . 1 1 21 21 PHE H H 21 9.389 9.389 8.157 1.232 19562 3688 1 8 . 1 1 22 22 LYS N N 22 125.637 125.637 126.579 -0.942 19562 3689 1 8 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.527 0.210 19562 3690 1 8 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.754 1.218 19562 3691 1 8 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.409 -0.103 19562 3692 1 8 . 1 1 22 22 LYS H H 22 9.258 9.258 8.950 0.308 19562 3693 1 8 . 1 1 23 23 VAL N N 23 118.282 118.282 118.895 -0.613 19562 3694 1 8 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.479 1.148 19562 3695 1 8 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.324 -0.939 19562 3696 1 8 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.906 2.610 19562 3697 1 8 . 1 1 23 23 VAL H H 23 8.672 8.672 8.324 0.348 19562 3698 1 8 . 1 1 24 24 ILE N N 24 120.397 120.397 118.806 1.591 19562 3699 1 8 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.455 0.358 19562 3700 1 8 . 1 1 24 24 ILE CA C 24 60.161 60.161 60.083 0.078 19562 3701 1 8 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.081 1.987 19562 3702 1 8 . 1 1 24 24 ILE H H 24 8.824 8.824 8.266 0.558 19562 3703 1 8 . 1 1 25 25 ASN N N 25 127.655 127.655 127.132 0.523 19562 3704 1 8 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.836 -0.335 19562 3705 1 8 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.846 0.355 19562 3706 1 8 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.908 0.612 19562 3707 1 8 . 1 1 25 25 ASN H H 25 9.232 9.232 8.521 0.711 19562 3708 1 8 . 1 1 26 26 VAL N N 26 116.322 116.322 117.974 -1.652 19562 3709 1 8 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.342 0.200 19562 3710 1 8 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.600 -1.828 19562 3711 1 8 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.831 0.439 19562 3712 1 8 . 1 1 26 26 VAL H H 26 7.680 7.680 7.576 0.104 19562 3713 1 8 . 1 1 27 27 ASP N N 27 117.000 117.000 125.510 -8.510 19562 3714 1 8 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.865 -0.772 19562 3715 1 8 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.224 -2.262 19562 3716 1 8 . 1 1 27 27 ASP H H 27 7.500 7.500 8.116 -0.616 19562 3717 1 8 . 1 1 28 28 ASP N N 28 112.540 112.540 124.739 -12.199 19562 3718 1 8 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.300 -0.129 19562 3719 1 8 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.058 0.240 19562 3720 1 8 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.936 -0.852 19562 3721 1 8 . 1 1 28 28 ASP H H 28 7.922 7.922 8.933 -1.011 19562 3722 1 8 . 1 1 29 29 ASP N N 29 115.319 115.319 116.701 -1.382 19562 3723 1 8 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.656 0.089 19562 3724 1 8 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.845 -0.394 19562 3725 1 8 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.468 0.536 19562 3726 1 8 . 1 1 29 29 ASP H H 29 7.809 7.809 8.001 -0.192 19562 3727 1 8 . 1 1 30 30 GLY N N 30 108.887 108.887 109.134 -0.247 19562 3728 1 8 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.292 -0.803 19562 3729 1 8 . 1 1 30 30 GLY H H 30 8.196 8.196 8.258 -0.062 19562 3730 1 8 . 1 1 31 31 ASN N N 31 119.906 119.906 118.698 1.208 19562 3731 1 8 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.754 -0.271 19562 3732 1 8 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.528 0.673 19562 3733 1 8 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.758 -2.147 19562 3734 1 8 . 1 1 31 31 ASN H H 31 8.643 8.643 8.086 0.557 19562 3735 1 8 . 1 1 32 32 GLU N N 32 119.114 119.114 125.246 -6.132 19562 3736 1 8 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.220 -0.321 19562 3737 1 8 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.452 0.009 19562 3738 1 8 . 1 1 32 32 GLU H H 32 8.525 8.525 8.939 -0.414 19562 3739 1 8 . 1 1 33 33 LEU N N 33 126.117 126.117 123.619 2.498 19562 3740 1 8 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.419 0.190 19562 3741 1 8 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.008 -1.083 19562 3742 1 8 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.258 -0.502 19562 3743 1 8 . 1 1 33 33 LEU H H 33 8.817 8.817 8.438 0.379 19562 3744 1 8 . 1 1 34 34 GLY N N 34 108.970 108.970 105.249 3.721 19562 3745 1 8 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.394 0.595 19562 3746 1 8 . 1 1 34 34 GLY H H 34 8.228 8.228 7.747 0.481 19562 3747 1 8 . 1 1 35 35 SER N N 35 118.388 118.388 118.183 0.205 19562 3748 1 8 . 1 1 35 35 SER HA H 35 5.465 5.465 4.614 0.851 19562 3749 1 8 . 1 1 35 35 SER CA C 35 57.205 57.205 58.554 -1.349 19562 3750 1 8 . 1 1 35 35 SER CB C 35 65.393 65.393 63.838 1.555 19562 3751 1 8 . 1 1 35 35 SER H H 35 8.776 8.776 8.316 0.460 19562 3752 1 8 . 1 1 36 36 GLY N N 36 109.081 109.081 109.602 -0.521 19562 3753 1 8 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.601 1.884 19562 3754 1 8 . 1 1 36 36 GLY H H 36 9.013 9.013 7.723 1.290 19562 3755 1 8 . 1 1 37 37 ILE N N 37 121.560 121.560 119.078 2.482 19562 3756 1 8 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.615 0.489 19562 3757 1 8 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.684 -1.562 19562 3758 1 8 . 1 1 37 37 ILE CB C 37 40.465 40.465 40.806 -0.341 19562 3759 1 8 . 1 1 37 37 ILE H H 37 8.779 8.779 8.687 0.092 19562 3760 1 8 . 1 1 38 38 MET N N 38 128.553 128.553 122.512 6.041 19562 3761 1 8 . 1 1 38 38 MET HA H 38 5.735 5.735 4.891 0.844 19562 3762 1 8 . 1 1 38 38 MET CA C 38 53.008 53.008 53.624 -0.616 19562 3763 1 8 . 1 1 38 38 MET CB C 38 36.446 36.446 34.516 1.930 19562 3764 1 8 . 1 1 38 38 MET H H 38 9.827 9.827 9.348 0.479 19562 3765 1 8 . 1 1 39 39 GLU N N 39 129.378 129.378 127.809 1.569 19562 3766 1 8 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.480 1.020 19562 3767 1 8 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.570 -2.115 19562 3768 1 8 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.803 4.733 19562 3769 1 8 . 1 1 39 39 GLU H H 39 10.160 10.160 9.168 0.992 19562 3770 1 8 . 1 1 40 40 LEU N N 40 127.174 127.174 130.472 -3.298 19562 3771 1 8 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.507 0.571 19562 3772 1 8 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.667 -0.227 19562 3773 1 8 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.609 0.404 19562 3774 1 8 . 1 1 40 40 LEU H H 40 8.334 8.334 8.683 -0.349 19562 3775 1 8 . 1 1 41 41 THR N N 41 115.971 115.971 115.317 0.654 19562 3776 1 8 . 1 1 41 41 THR HA H 41 5.012 5.012 4.650 0.362 19562 3777 1 8 . 1 1 41 41 THR CA C 41 59.113 59.113 59.366 -0.253 19562 3778 1 8 . 1 1 41 41 THR CB C 41 69.295 69.295 71.564 -2.268 19562 3779 1 8 . 1 1 41 41 THR H H 41 8.682 8.682 7.852 0.830 19562 3780 1 8 . 1 1 42 42 ASP N N 42 117.467 117.467 118.836 -1.369 19562 3781 1 8 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.169 0.446 19562 3782 1 8 . 1 1 42 42 ASP CA C 42 56.692 56.692 58.103 -1.411 19562 3783 1 8 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.503 -0.712 19562 3784 1 8 . 1 1 42 42 ASP H H 42 8.794 8.794 9.011 -0.217 19562 3785 1 8 . 1 1 43 43 THR N N 43 104.010 104.010 104.911 -0.901 19562 3786 1 8 . 1 1 43 43 THR HA H 43 4.412 4.412 3.483 0.929 19562 3787 1 8 . 1 1 43 43 THR CA C 43 61.601 61.601 61.545 0.056 19562 3788 1 8 . 1 1 43 43 THR CB C 43 71.362 71.362 70.576 0.786 19562 3789 1 8 . 1 1 43 43 THR H H 43 7.763 7.763 7.544 0.219 19562 3790 1 8 . 1 1 44 44 GLU N N 44 118.980 118.980 121.978 -2.998 19562 3791 1 8 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.013 -0.843 19562 3792 1 8 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.039 -1.099 19562 3793 1 8 . 1 1 44 44 GLU CB C 44 33.487 33.487 32.702 0.785 19562 3794 1 8 . 1 1 44 44 GLU H H 44 7.263 7.263 7.528 -0.265 19562 3795 1 8 . 1 1 45 45 LEU N N 45 122.138 122.138 127.207 -5.069 19562 3796 1 8 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.833 0.139 19562 3797 1 8 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.701 -0.980 19562 3798 1 8 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.575 1.663 19562 3799 1 8 . 1 1 45 45 LEU H H 45 8.314 8.314 9.167 -0.853 19562 3800 1 8 . 1 1 46 46 ILE N N 46 124.244 124.244 126.274 -2.030 19562 3801 1 8 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.493 0.231 19562 3802 1 8 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.735 1.575 19562 3803 1 8 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.364 4.127 19562 3804 1 8 . 1 1 46 46 ILE H H 46 9.154 9.154 9.012 0.142 19562 3805 1 8 . 1 1 47 47 LEU N N 47 127.510 127.510 131.450 -3.940 19562 3806 1 8 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.898 0.368 19562 3807 1 8 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.300 -1.593 19562 3808 1 8 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.907 2.829 19562 3809 1 8 . 1 1 47 47 LEU H H 47 9.378 9.378 8.522 0.856 19562 3810 1 8 . 1 1 48 48 TYR N N 48 128.014 128.014 127.174 0.840 19562 3811 1 8 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.724 0.310 19562 3812 1 8 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.379 0.058 19562 3813 1 8 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.972 1.819 19562 3814 1 8 . 1 1 48 48 TYR H H 48 9.724 9.724 8.856 0.868 19562 3815 1 8 . 1 1 49 49 THR N N 49 115.097 115.097 117.546 -2.449 19562 3816 1 8 . 1 1 49 49 THR HA H 49 4.813 4.813 4.529 0.284 19562 3817 1 8 . 1 1 49 49 THR CA C 49 60.349 60.349 60.611 -0.262 19562 3818 1 8 . 1 1 49 49 THR CB C 49 70.967 70.967 70.445 0.522 19562 3819 1 8 . 1 1 49 49 THR H H 49 8.659 8.659 7.728 0.931 19562 3820 1 8 . 1 1 50 50 ARG N N 50 120.411 120.411 120.353 0.058 19562 3821 1 8 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.275 -0.076 19562 3822 1 8 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.777 -1.330 19562 3823 1 8 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.071 -0.297 19562 3824 1 8 . 1 1 50 50 ARG H H 50 8.649 8.649 8.652 -0.003 19562 3825 1 8 . 1 1 51 51 LYS N N 51 117.579 117.579 118.149 -0.570 19562 3826 1 8 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.471 -0.308 19562 3827 1 8 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.230 0.448 19562 3828 1 8 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.955 -1.597 19562 3829 1 8 . 1 1 51 51 LYS H H 51 8.406 8.406 8.078 0.328 19562 3830 1 8 . 1 1 52 52 ARG N N 52 116.662 116.662 120.944 -4.282 19562 3831 1 8 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.271 0.172 19562 3832 1 8 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.919 -1.614 19562 3833 1 8 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.429 0.321 19562 3834 1 8 . 1 1 52 52 ARG H H 52 7.973 7.973 7.913 0.060 19562 3835 1 8 . 1 1 53 53 ASP N N 53 119.760 119.760 115.478 4.282 19562 3836 1 8 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.407 0.353 19562 3837 1 8 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.682 -0.791 19562 3838 1 8 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.257 -0.250 19562 3839 1 8 . 1 1 53 53 ASP H H 53 8.066 8.066 7.626 0.440 19562 3840 1 8 . 1 1 54 54 SER N N 54 116.756 116.756 116.831 -0.075 19562 3841 1 8 . 1 1 54 54 SER HA H 54 4.891 4.891 4.330 0.561 19562 3842 1 8 . 1 1 54 54 SER CA C 54 57.072 57.072 59.222 -2.150 19562 3843 1 8 . 1 1 54 54 SER CB C 54 64.473 64.473 61.685 2.788 19562 3844 1 8 . 1 1 54 54 SER H H 54 8.477 8.477 8.282 0.195 19562 3845 1 8 . 1 1 55 55 VAL N N 55 122.716 122.716 125.180 -2.464 19562 3846 1 8 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.860 0.088 19562 3847 1 8 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.086 -2.630 19562 3848 1 8 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.426 1.112 19562 3849 1 8 . 1 1 55 55 VAL H H 55 8.334 8.334 8.919 -0.585 19562 3850 1 8 . 1 1 56 56 LYS N N 56 121.568 121.568 119.047 2.521 19562 3851 1 8 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.998 0.273 19562 3852 1 8 . 1 1 56 56 LYS CA C 56 53.691 53.691 53.517 0.174 19562 3853 1 8 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.318 0.485 19562 3854 1 8 . 1 1 56 56 LYS H H 56 7.501 7.501 8.255 -0.754 19562 3855 1 8 . 1 1 57 57 TRP N N 57 123.638 123.638 120.850 2.788 19562 3856 1 8 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.850 -0.185 19562 3857 1 8 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.380 1.382 19562 3858 1 8 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.874 -0.324 19562 3859 1 8 . 1 1 57 57 TRP H H 57 9.453 9.453 8.202 1.251 19562 3860 1 8 . 1 1 58 58 HIS N N 58 125.312 125.312 126.169 -0.857 19562 3861 1 8 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.132 -0.593 19562 3862 1 8 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.494 -0.310 19562 3863 1 8 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.339 -1.014 19562 3864 1 8 . 1 1 58 58 HIS H H 58 9.024 9.024 8.762 0.262 19562 3865 1 8 . 1 1 59 59 TYR N N 59 126.691 126.691 125.452 1.239 19562 3866 1 8 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.255 0.097 19562 3867 1 8 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.569 0.130 19562 3868 1 8 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.265 -1.738 19562 3869 1 8 . 1 1 59 59 TYR H H 59 8.079 8.079 8.774 -0.695 19562 3870 1 8 . 1 1 60 60 LEU N N 60 114.859 114.859 118.483 -3.624 19562 3871 1 8 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.408 -0.171 19562 3872 1 8 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.416 0.683 19562 3873 1 8 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.390 0.164 19562 3874 1 8 . 1 1 60 60 LEU H H 60 9.307 9.307 8.265 1.042 19562 3875 1 8 . 1 1 61 61 CYS N N 61 114.415 114.415 114.873 -0.458 19562 3876 1 8 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.545 0.701 19562 3877 1 8 . 1 1 61 61 CYS CA C 61 57.433 57.433 57.499 -0.066 19562 3878 1 8 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.122 -2.056 19562 3879 1 8 . 1 1 61 61 CYS H H 61 8.421 8.421 7.654 0.767 19562 3880 1 8 . 1 1 62 62 LEU N N 62 122.413 122.413 124.221 -1.808 19562 3881 1 8 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.333 0.414 19562 3882 1 8 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.833 -1.395 19562 3883 1 8 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.130 0.909 19562 3884 1 8 . 1 1 62 62 LEU H H 62 7.702 7.702 7.270 0.432 19562 3885 1 8 . 1 1 63 63 ARG N N 63 122.839 122.839 122.963 -0.124 19562 3886 1 8 . 1 1 63 63 ARG H H 63 9.301 9.301 8.973 0.328 19562 3887 1 8 . 1 1 64 64 ARG N N 64 111.512 111.512 117.170 -5.658 19562 3888 1 8 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.664 0.822 19562 3889 1 8 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.300 -1.655 19562 3890 1 8 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.977 3.028 19562 3891 1 8 . 1 1 64 64 ARG H H 64 7.457 7.457 7.638 -0.181 19562 3892 1 8 . 1 1 65 65 TYR N N 65 115.127 115.127 120.353 -5.226 19562 3893 1 8 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.224 0.316 19562 3894 1 8 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.150 1.039 19562 3895 1 8 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.859 -1.345 19562 3896 1 8 . 1 1 65 65 TYR H H 65 8.340 8.340 8.491 -0.151 19562 3897 1 8 . 1 1 66 66 GLY N N 66 104.938 104.938 108.788 -3.850 19562 3898 1 8 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.558 2.342 19562 3899 1 8 . 1 1 66 66 GLY H H 66 8.950 8.950 8.705 0.245 19562 3900 1 8 . 1 1 67 67 TYR N N 67 117.143 117.143 119.888 -2.745 19562 3901 1 8 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.581 -0.019 19562 3902 1 8 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.848 -1.363 19562 3903 1 8 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.417 1.930 19562 3904 1 8 . 1 1 67 67 TYR H H 67 8.022 8.022 7.928 0.094 19562 3905 1 8 . 1 1 68 68 ASP N N 68 119.290 119.290 125.355 -6.065 19562 3906 1 8 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.268 -0.438 19562 3907 1 8 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.754 3.688 19562 3908 1 8 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.671 2.345 19562 3909 1 8 . 1 1 68 68 ASP H H 68 8.656 8.656 9.126 -0.470 19562 3910 1 8 . 1 1 69 69 SER N N 69 119.561 119.561 117.812 1.749 19562 3911 1 8 . 1 1 69 69 SER HA H 69 4.040 4.040 4.242 -0.202 19562 3912 1 8 . 1 1 69 69 SER CB C 69 59.170 59.170 62.018 -2.848 19562 3913 1 8 . 1 1 69 69 SER H H 69 8.957 8.957 8.546 0.411 19562 3914 1 8 . 1 1 70 70 ASN N N 70 119.438 119.438 115.306 4.132 19562 3915 1 8 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.525 0.607 19562 3916 1 8 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.200 -2.212 19562 3917 1 8 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.143 0.135 19562 3918 1 8 . 1 1 70 70 ASN H H 70 8.502 8.502 8.709 -0.207 19562 3919 1 8 . 1 1 71 71 LEU N N 71 120.481 120.481 119.023 1.458 19562 3920 1 8 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.934 0.631 19562 3921 1 8 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.147 -0.696 19562 3922 1 8 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.629 1.107 19562 3923 1 8 . 1 1 71 71 LEU H H 71 8.807 8.807 8.590 0.217 19562 3924 1 8 . 1 1 72 72 PHE N N 72 120.815 120.815 127.021 -6.206 19562 3925 1 8 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.473 0.054 19562 3926 1 8 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.462 -0.278 19562 3927 1 8 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.703 1.161 19562 3928 1 8 . 1 1 72 72 PHE H H 72 9.439 9.439 9.711 -0.272 19562 3929 1 8 . 1 1 73 73 SER N N 73 120.270 120.270 118.756 1.514 19562 3930 1 8 . 1 1 73 73 SER HA H 73 5.387 5.387 4.519 0.868 19562 3931 1 8 . 1 1 73 73 SER CA C 73 54.994 54.994 55.431 -0.437 19562 3932 1 8 . 1 1 73 73 SER CB C 73 66.409 66.409 65.717 0.692 19562 3933 1 8 . 1 1 73 73 SER H H 73 8.597 8.597 8.247 0.350 19562 3934 1 8 . 1 1 74 74 PHE N N 74 117.157 117.157 116.283 0.874 19562 3935 1 8 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.246 0.015 19562 3936 1 8 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.857 -0.158 19562 3937 1 8 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.323 0.580 19562 3938 1 8 . 1 1 74 74 PHE H H 74 8.050 8.050 8.253 -0.203 19562 3939 1 8 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.735 1.001 19562 3940 1 8 . 1 1 75 75 GLU CA C 75 51.709 51.709 55.138 -3.429 19562 3941 1 8 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.353 1.467 19562 3942 1 8 . 1 1 76 76 SER N N 76 123.656 123.656 122.998 0.658 19562 3943 1 8 . 1 1 76 76 SER HA H 76 5.243 5.243 5.164 0.079 19562 3944 1 8 . 1 1 76 76 SER CA C 76 56.906 56.906 57.984 -1.078 19562 3945 1 8 . 1 1 76 76 SER CB C 76 67.886 67.886 64.256 3.630 19562 3946 1 8 . 1 1 76 76 SER H H 76 9.930 9.930 9.284 0.646 19562 3947 1 8 . 1 1 77 77 GLY N N 77 105.906 105.906 111.332 -5.426 19562 3948 1 8 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.609 0.391 19562 3949 1 8 . 1 1 77 77 GLY H H 77 8.939 8.939 9.184 -0.245 19562 3950 1 8 . 1 1 78 78 ARG N N 78 114.676 114.676 118.315 -3.639 19562 3951 1 8 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.609 -0.592 19562 3952 1 8 . 1 1 78 78 ARG H H 78 9.680 9.680 7.471 2.209 19562 3953 1 8 . 1 1 79 79 ARG N N 79 121.801 121.801 120.893 0.908 19562 3954 1 8 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.263 0.310 19562 3955 1 8 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.599 -1.671 19562 3956 1 8 . 1 1 79 79 ARG CB C 79 27.070 27.070 29.964 -2.894 19562 3957 1 8 . 1 1 79 79 ARG H H 79 9.389 9.389 8.491 0.898 19562 3958 1 8 . 1 1 80 80 CYS N N 80 113.901 113.901 121.222 -7.321 19562 3959 1 8 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.495 0.393 19562 3960 1 8 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.276 -1.311 19562 3961 1 8 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.341 -0.743 19562 3962 1 8 . 1 1 80 80 CYS H H 80 7.994 7.994 7.958 0.036 19562 3963 1 8 . 1 1 81 81 GLN N N 81 122.839 122.839 121.014 1.825 19562 3964 1 8 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.084 0.012 19562 3965 1 8 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.090 0.849 19562 3966 1 8 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.894 -0.554 19562 3967 1 8 . 1 1 81 81 GLN H H 81 8.950 8.950 8.660 0.290 19562 3968 1 8 . 1 1 82 82 THR N N 82 107.297 107.297 110.195 -2.898 19562 3969 1 8 . 1 1 82 82 THR HA H 82 4.207 4.207 4.528 -0.321 19562 3970 1 8 . 1 1 82 82 THR CA C 82 63.147 63.147 60.947 2.200 19562 3971 1 8 . 1 1 82 82 THR CB C 82 70.591 70.591 69.507 1.084 19562 3972 1 8 . 1 1 82 82 THR H H 82 8.345 8.345 7.983 0.362 19562 3973 1 8 . 1 1 83 83 GLY N N 83 112.681 112.681 109.647 3.034 19562 3974 1 8 . 1 1 83 83 GLY CA C 83 43.994 43.994 46.769 -2.775 19562 3975 1 8 . 1 1 83 83 GLY H H 83 7.820 7.820 8.118 -0.298 19562 3976 1 8 . 1 1 84 84 GLN N N 84 119.972 119.972 116.337 3.635 19562 3977 1 8 . 1 1 84 84 GLN H H 84 8.622 8.622 8.463 0.159 19562 3978 1 8 . 1 1 85 85 GLY N N 85 111.040 111.040 106.118 4.922 19562 3979 1 8 . 1 1 85 85 GLY H H 85 8.056 8.056 7.761 0.295 19562 3980 1 8 . 1 1 86 86 ILE N N 86 121.645 121.645 125.492 -3.847 19562 3981 1 8 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.100 0.186 19562 3982 1 8 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.169 -2.007 19562 3983 1 8 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.254 2.288 19562 3984 1 8 . 1 1 86 86 ILE H H 86 8.021 8.021 8.355 -0.334 19562 3985 1 8 . 1 1 87 87 PHE N N 87 123.890 123.890 129.997 -6.107 19562 3986 1 8 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.562 0.064 19562 3987 1 8 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.339 0.605 19562 3988 1 8 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.530 0.473 19562 3989 1 8 . 1 1 87 87 PHE H H 87 8.476 8.476 8.848 -0.372 19562 3990 1 8 . 1 1 88 88 ALA N N 88 124.824 124.824 129.271 -4.447 19562 3991 1 8 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.169 1.112 19562 3992 1 8 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.613 0.591 19562 3993 1 8 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.453 0.881 19562 3994 1 8 . 1 1 88 88 ALA H H 88 9.149 9.149 8.226 0.923 19562 3995 1 8 . 1 1 89 89 PHE N N 89 118.047 118.047 119.243 -1.196 19562 3996 1 8 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.972 0.473 19562 3997 1 8 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.764 -0.059 19562 3998 1 8 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.800 0.696 19562 3999 1 8 . 1 1 89 89 PHE H H 89 9.423 9.423 9.014 0.409 19562 4000 1 8 . 1 1 90 90 LYS N N 90 122.937 122.937 125.131 -2.194 19562 4001 1 8 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.578 0.927 19562 4002 1 8 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.308 -1.480 19562 4003 1 8 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.711 2.302 19562 4004 1 8 . 1 1 90 90 LYS H H 90 9.943 9.943 9.067 0.876 19562 4005 1 8 . 1 1 91 91 CYS N N 91 126.115 126.115 123.148 2.967 19562 4006 1 8 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.621 0.132 19562 4007 1 8 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.246 0.929 19562 4008 1 8 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.957 -1.148 19562 4009 1 8 . 1 1 91 91 CYS H H 91 9.689 9.689 8.361 1.328 19562 4010 1 8 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.169 0.262 19562 4011 1 8 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.236 0.474 19562 4012 1 8 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.465 -0.602 19562 4013 1 8 . 1 1 93 93 ARG N N 93 117.248 117.248 118.276 -1.028 19562 4014 1 8 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.293 0.719 19562 4015 1 8 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.128 0.829 19562 4016 1 8 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.924 2.879 19562 4017 1 8 . 1 1 93 93 ARG H H 93 7.964 7.964 7.505 0.459 19562 4018 1 8 . 1 1 94 94 ALA N N 94 122.369 122.369 124.172 -1.803 19562 4019 1 8 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.987 -0.464 19562 4020 1 8 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.525 -0.554 19562 4021 1 8 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.776 -0.680 19562 4022 1 8 . 1 1 94 94 ALA H H 94 7.310 7.310 8.167 -0.857 19562 4023 1 8 . 1 1 95 95 GLU N N 95 116.205 116.205 118.088 -1.883 19562 4024 1 8 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.921 -0.441 19562 4025 1 8 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.151 -0.455 19562 4026 1 8 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.721 1.340 19562 4027 1 8 . 1 1 95 95 GLU H H 95 8.376 8.376 8.613 -0.237 19562 4028 1 8 . 1 1 96 96 GLU N N 96 119.188 119.188 120.577 -1.389 19562 4029 1 8 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.042 -0.075 19562 4030 1 8 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.836 0.064 19562 4031 1 8 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.037 0.993 19562 4032 1 8 . 1 1 96 96 GLU H H 96 7.418 7.418 8.068 -0.650 19562 4033 1 8 . 1 1 97 97 LEU N N 97 123.654 123.654 120.646 3.008 19562 4034 1 8 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.133 -1.119 19562 4035 1 8 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.424 0.295 19562 4036 1 8 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.907 -0.894 19562 4037 1 8 . 1 1 97 97 LEU H H 97 7.847 7.847 8.630 -0.783 19562 4038 1 8 . 1 1 98 98 PHE N N 98 118.746 118.746 119.678 -0.932 19562 4039 1 8 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.297 -0.504 19562 4040 1 8 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.466 0.230 19562 4041 1 8 . 1 1 98 98 PHE H H 98 8.076 8.076 9.104 -1.028 19562 4042 1 8 . 1 1 99 99 ASN N N 99 117.017 117.017 118.611 -1.594 19562 4043 1 8 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.195 0.025 19562 4044 1 8 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.931 -0.465 19562 4045 1 8 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.495 -1.214 19562 4046 1 8 . 1 1 99 99 ASN H H 99 8.622 8.622 8.437 0.185 19562 4047 1 8 . 1 1 100 100 MET N N 100 121.914 121.914 120.382 1.532 19562 4048 1 8 . 1 1 100 100 MET HA H 100 4.061 4.061 4.254 -0.193 19562 4049 1 8 . 1 1 100 100 MET CA C 100 58.699 58.699 59.073 -0.374 19562 4050 1 8 . 1 1 100 100 MET CB C 100 32.048 32.048 32.714 -0.666 19562 4051 1 8 . 1 1 100 100 MET H H 100 8.316 8.316 8.483 -0.167 19562 4052 1 8 . 1 1 101 101 LEU N N 101 121.094 121.094 120.345 0.749 19562 4053 1 8 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.099 -0.519 19562 4054 1 8 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.055 -0.629 19562 4055 1 8 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.510 -0.410 19562 4056 1 8 . 1 1 101 101 LEU H H 101 8.047 8.047 8.770 -0.723 19562 4057 1 8 . 1 1 102 102 GLN N N 102 116.417 116.417 117.428 -1.011 19562 4058 1 8 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.095 -0.181 19562 4059 1 8 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.947 -0.501 19562 4060 1 8 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.204 0.483 19562 4061 1 8 . 1 1 102 102 GLN H H 102 8.195 8.195 8.476 -0.281 19562 4062 1 8 . 1 1 103 103 GLU N N 103 119.096 119.096 120.745 -1.649 19562 4063 1 8 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.060 -0.152 19562 4064 1 8 . 1 1 103 103 GLU CA C 103 58.917 58.917 59.126 -0.209 19562 4065 1 8 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.629 -0.568 19562 4066 1 8 . 1 1 103 103 GLU H H 103 7.635 7.635 8.305 -0.670 19562 4067 1 8 . 1 1 104 104 ILE N N 104 120.803 120.803 121.262 -0.459 19562 4068 1 8 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.642 -0.041 19562 4069 1 8 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.593 -0.883 19562 4070 1 8 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.915 0.135 19562 4071 1 8 . 1 1 104 104 ILE H H 104 7.965 7.965 8.784 -0.819 19562 4072 1 8 . 1 1 105 105 MET N N 105 117.016 117.016 118.239 -1.223 19562 4073 1 8 . 1 1 105 105 MET HA H 105 4.020 4.020 4.161 -0.141 19562 4074 1 8 . 1 1 105 105 MET CA C 105 57.384 57.384 59.563 -2.179 19562 4075 1 8 . 1 1 105 105 MET H H 105 8.145 8.145 8.592 -0.447 19562 4076 1 8 . 1 1 106 106 GLN N N 106 116.150 116.150 117.478 -1.328 19562 4077 1 8 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.124 0.079 19562 4078 1 8 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.362 -1.721 19562 4079 1 8 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.593 -0.480 19562 4080 1 8 . 1 1 106 106 GLN H H 106 7.930 7.930 8.003 -0.073 19562 4081 1 8 . 1 1 107 107 ASN N N 107 117.360 117.360 114.037 3.323 19562 4082 1 8 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.769 -0.049 19562 4083 1 8 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.230 -0.732 19562 4084 1 8 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.607 -1.048 19562 4085 1 8 . 1 1 107 107 ASN H H 107 7.872 7.872 8.312 -0.440 19562 4086 1 8 . 1 1 108 108 ASN N N 108 118.611 118.611 117.232 1.379 19562 4087 1 8 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.884 -0.124 19562 4088 1 8 . 1 1 108 108 ASN CA C 108 52.700 52.700 53.800 -1.100 19562 4089 1 8 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.555 -2.037 19562 4090 1 8 . 1 1 108 108 ASN H H 108 8.144 8.144 8.199 -0.055 19562 4091 1 8 . 1 1 109 109 SER N N 109 115.704 115.704 112.616 3.088 19562 4092 1 8 . 1 1 109 109 SER HA H 109 4.519 4.519 4.068 0.451 19562 4093 1 8 . 1 1 109 109 SER CA C 109 57.700 57.700 60.789 -3.089 19562 4094 1 8 . 1 1 109 109 SER CB C 109 63.150 63.150 62.857 0.293 19562 4095 1 8 . 1 1 109 109 SER H H 109 8.215 8.215 7.921 0.294 19562 4096 1 8 . 1 1 110 110 ILE N N 110 121.954 121.954 120.978 0.976 19562 4097 1 8 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.713 0.499 19562 4098 1 8 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.362 -1.476 19562 4099 1 8 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.947 1.288 19562 4100 1 8 . 1 1 110 110 ILE H H 110 8.061 8.061 7.968 0.093 19562 4101 1 8 . 1 1 111 111 ASN N N 111 122.386 122.386 123.334 -0.948 19562 4102 1 8 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.000 -0.218 19562 4103 1 8 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.699 0.035 19562 4104 1 8 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.562 -2.762 19562 4105 1 8 . 1 1 111 111 ASN H H 111 8.376 8.376 8.212 0.164 19562 4106 1 8 . 1 1 112 112 VAL N N 112 120.830 120.830 121.383 -0.553 19562 4107 1 8 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.093 0.092 19562 4108 1 8 . 1 1 112 112 VAL CA C 112 61.660 61.660 63.667 -2.007 19562 4109 1 8 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.939 0.391 19562 4110 1 8 . 1 1 112 112 VAL H H 112 8.067 8.067 8.282 -0.215 19562 4111 1 8 . 1 1 113 113 VAL N N 113 124.249 124.249 117.331 6.918 19562 4112 1 8 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.464 -0.349 19562 4113 1 8 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.237 0.213 19562 4114 1 8 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.963 -1.618 19562 4115 1 8 . 1 1 113 113 VAL H H 113 8.167 8.167 7.445 0.722 19562 4116 1 8 . 1 1 114 114 GLU N N 114 125.288 125.288 119.265 6.023 19562 4117 1 8 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.066 0.243 19562 4118 1 8 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.134 -1.444 19562 4119 1 8 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.160 0.889 19562 4120 1 8 . 1 1 114 114 GLU H H 114 8.405 8.405 8.359 0.046 19562 4121 1 8 . 1 1 115 115 GLU N N 115 123.990 123.990 120.902 3.088 19562 4122 1 8 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.595 -0.032 19562 4123 1 8 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.864 -1.139 19562 4124 1 8 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.855 -0.420 19562 4125 1 8 . 1 1 115 115 GLU H H 115 8.392 8.392 8.200 0.192 19562 4126 1 8 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.450 -0.020 19562 4127 1 8 . 1 1 116 116 PRO CA C 116 62.670 62.670 63.041 -0.371 19562 4128 1 8 . 1 1 116 116 PRO CB C 116 31.655 31.655 31.031 0.624 19562 4129 1 8 . 1 1 117 117 VAL N N 117 121.339 121.339 113.074 8.265 19562 4130 1 8 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.666 0.410 19562 4131 1 8 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.584 -0.593 19562 4132 1 8 . 1 1 117 117 VAL CB C 117 31.820 31.820 32.245 -0.425 19562 4133 1 8 . 1 1 117 117 VAL H H 117 8.266 8.266 7.522 0.744 19562 4134 1 8 . 1 1 118 118 VAL N N 118 124.762 124.762 124.316 0.446 19562 4135 1 8 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.082 0.034 19562 4136 1 8 . 1 1 118 118 VAL H H 118 8.202 8.202 8.315 -0.113 19562 4137 1 8 . 1 1 119 119 GLU N N 119 125.304 125.304 126.196 -0.892 19562 4138 1 8 . 1 1 119 119 GLU H H 119 8.479 8.479 8.362 0.117 19562 4139 1 8 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.337 0.058 19562 4140 1 8 . 1 1 120 120 ARG CA C 120 55.350 55.350 55.771 -0.421 19562 4141 1 8 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.317 0.248 19562 4142 1 8 . 1 1 121 121 ASN N N 121 120.465 120.465 123.948 -3.483 19562 4143 1 8 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.589 0.165 19562 4144 1 8 . 1 1 121 121 ASN H H 121 8.536 8.536 8.312 0.224 19562 4145 1 9 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.924 -0.305 19562 4146 1 9 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.378 -0.230 19562 4147 1 9 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.113 -0.504 19562 4148 1 9 . 1 1 10 10 MET N N 10 120.964 120.964 119.228 1.736 19562 4149 1 9 . 1 1 10 10 MET HA H 10 4.395 4.395 4.482 -0.087 19562 4150 1 9 . 1 1 10 10 MET CA C 10 55.153 55.153 56.828 -1.675 19562 4151 1 9 . 1 1 10 10 MET CB C 10 32.293 32.293 33.533 -1.240 19562 4152 1 9 . 1 1 10 10 MET H H 10 8.274 8.274 7.862 0.412 19562 4153 1 9 . 1 1 11 11 ASP N N 11 120.989 120.989 116.876 4.113 19562 4154 1 9 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.700 0.046 19562 4155 1 9 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.666 0.534 19562 4156 1 9 . 1 1 11 11 ASP CB C 11 40.200 40.200 42.050 -1.850 19562 4157 1 9 . 1 1 11 11 ASP H H 11 8.281 8.281 8.206 0.075 19562 4158 1 9 . 1 1 12 12 THR N N 12 113.244 113.244 114.391 -1.147 19562 4159 1 9 . 1 1 12 12 THR HA H 12 4.312 4.312 4.171 0.141 19562 4160 1 9 . 1 1 12 12 THR CA C 12 61.218 61.218 62.635 -1.417 19562 4161 1 9 . 1 1 12 12 THR CB C 12 69.316 69.316 68.621 0.695 19562 4162 1 9 . 1 1 12 12 THR H H 12 7.979 7.979 7.678 0.301 19562 4163 1 9 . 1 1 13 13 VAL N N 13 123.579 123.579 127.290 -3.711 19562 4164 1 9 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.127 0.277 19562 4165 1 9 . 1 1 13 13 VAL CA C 13 59.234 59.234 59.443 -0.208 19562 4166 1 9 . 1 1 13 13 VAL CB C 13 32.299 32.299 33.323 -1.024 19562 4167 1 9 . 1 1 13 13 VAL H H 13 8.021 8.021 8.097 -0.076 19562 4168 1 9 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.505 -0.078 19562 4169 1 9 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.545 0.354 19562 4170 1 9 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.322 -0.532 19562 4171 1 9 . 1 1 15 15 ASP N N 15 120.556 120.556 117.647 2.909 19562 4172 1 9 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.373 0.079 19562 4173 1 9 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.961 -1.540 19562 4174 1 9 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.756 -0.198 19562 4175 1 9 . 1 1 15 15 ASP H H 15 8.471 8.471 8.555 -0.084 19562 4176 1 9 . 1 1 16 16 ASN N N 16 116.991 116.991 115.682 1.309 19562 4177 1 9 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.673 -0.069 19562 4178 1 9 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.356 -0.074 19562 4179 1 9 . 1 1 16 16 ASN CB C 16 37.731 37.731 40.125 -2.394 19562 4180 1 9 . 1 1 16 16 ASN H H 16 8.111 8.111 7.706 0.405 19562 4181 1 9 . 1 1 17 17 HIS N N 17 119.335 119.335 119.094 0.241 19562 4182 1 9 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.820 -0.408 19562 4183 1 9 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.570 0.866 19562 4184 1 9 . 1 1 17 17 HIS CB C 17 30.009 30.009 32.081 -2.072 19562 4185 1 9 . 1 1 17 17 HIS H H 17 8.014 8.014 8.623 -0.609 19562 4186 1 9 . 1 1 18 18 ARG N N 18 122.269 122.269 127.066 -4.797 19562 4187 1 9 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.881 0.102 19562 4188 1 9 . 1 1 18 18 ARG CA C 18 57.419 57.419 57.954 -0.535 19562 4189 1 9 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.227 -0.446 19562 4190 1 9 . 1 1 18 18 ARG H H 18 8.209 8.209 8.557 -0.348 19562 4191 1 9 . 1 1 19 19 ASN N N 19 114.495 114.495 113.192 1.303 19562 4192 1 9 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.226 0.489 19562 4193 1 9 . 1 1 19 19 ASN CA C 19 52.723 52.723 55.009 -2.286 19562 4194 1 9 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.639 -0.605 19562 4195 1 9 . 1 1 19 19 ASN H H 19 8.565 8.565 7.864 0.701 19562 4196 1 9 . 1 1 20 20 LYS N N 20 117.932 117.932 120.762 -2.830 19562 4197 1 9 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.303 0.954 19562 4198 1 9 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.424 -0.688 19562 4199 1 9 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.718 3.297 19562 4200 1 9 . 1 1 20 20 LYS H H 20 7.040 7.040 7.481 -0.441 19562 4201 1 9 . 1 1 21 21 PHE N N 21 120.620 120.620 128.068 -7.448 19562 4202 1 9 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.608 -0.099 19562 4203 1 9 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.666 1.255 19562 4204 1 9 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.548 0.650 19562 4205 1 9 . 1 1 21 21 PHE H H 21 9.389 9.389 8.208 1.181 19562 4206 1 9 . 1 1 22 22 LYS N N 22 125.637 125.637 126.920 -1.283 19562 4207 1 9 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.530 0.207 19562 4208 1 9 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.651 1.321 19562 4209 1 9 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.405 -0.099 19562 4210 1 9 . 1 1 22 22 LYS H H 22 9.258 9.258 8.975 0.283 19562 4211 1 9 . 1 1 23 23 VAL N N 23 118.282 118.282 119.136 -0.854 19562 4212 1 9 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.474 1.153 19562 4213 1 9 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.204 -0.819 19562 4214 1 9 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.094 2.422 19562 4215 1 9 . 1 1 23 23 VAL H H 23 8.672 8.672 8.134 0.538 19562 4216 1 9 . 1 1 24 24 ILE N N 24 120.397 120.397 118.824 1.573 19562 4217 1 9 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.509 0.304 19562 4218 1 9 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.885 0.277 19562 4219 1 9 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.462 1.606 19562 4220 1 9 . 1 1 24 24 ILE H H 24 8.824 8.824 8.317 0.507 19562 4221 1 9 . 1 1 25 25 ASN N N 25 127.655 127.655 127.180 0.475 19562 4222 1 9 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.854 -0.353 19562 4223 1 9 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.876 0.325 19562 4224 1 9 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.871 0.649 19562 4225 1 9 . 1 1 25 25 ASN H H 25 9.232 9.232 8.551 0.681 19562 4226 1 9 . 1 1 26 26 VAL N N 26 116.322 116.322 118.203 -1.881 19562 4227 1 9 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.310 0.232 19562 4228 1 9 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.655 -1.883 19562 4229 1 9 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.714 0.556 19562 4230 1 9 . 1 1 26 26 VAL H H 26 7.680 7.680 7.560 0.120 19562 4231 1 9 . 1 1 27 27 ASP N N 27 117.000 117.000 125.674 -8.674 19562 4232 1 9 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.864 -0.771 19562 4233 1 9 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.250 -2.288 19562 4234 1 9 . 1 1 27 27 ASP H H 27 7.500 7.500 8.083 -0.583 19562 4235 1 9 . 1 1 28 28 ASP N N 28 112.540 112.540 124.101 -11.561 19562 4236 1 9 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.340 -0.169 19562 4237 1 9 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.017 0.281 19562 4238 1 9 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.639 -0.555 19562 4239 1 9 . 1 1 28 28 ASP H H 28 7.922 7.922 8.966 -1.044 19562 4240 1 9 . 1 1 29 29 ASP N N 29 115.319 115.319 116.436 -1.117 19562 4241 1 9 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.658 0.087 19562 4242 1 9 . 1 1 29 29 ASP CA C 29 53.451 53.451 54.026 -0.575 19562 4243 1 9 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.684 0.320 19562 4244 1 9 . 1 1 29 29 ASP H H 29 7.809 7.809 8.209 -0.400 19562 4245 1 9 . 1 1 30 30 GLY N N 30 108.887 108.887 108.857 0.030 19562 4246 1 9 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.302 -0.813 19562 4247 1 9 . 1 1 30 30 GLY H H 30 8.196 8.196 8.310 -0.114 19562 4248 1 9 . 1 1 31 31 ASN N N 31 119.906 119.906 118.003 1.903 19562 4249 1 9 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.821 -0.338 19562 4250 1 9 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.288 0.913 19562 4251 1 9 . 1 1 31 31 ASN CB C 31 37.611 37.611 40.130 -2.518 19562 4252 1 9 . 1 1 31 31 ASN H H 31 8.643 8.643 8.028 0.615 19562 4253 1 9 . 1 1 32 32 GLU N N 32 119.114 119.114 125.182 -6.068 19562 4254 1 9 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.274 -0.375 19562 4255 1 9 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.289 0.172 19562 4256 1 9 . 1 1 32 32 GLU H H 32 8.525 8.525 8.932 -0.407 19562 4257 1 9 . 1 1 33 33 LEU N N 33 126.117 126.117 123.083 3.034 19562 4258 1 9 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.426 0.183 19562 4259 1 9 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.145 -1.220 19562 4260 1 9 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.668 -0.912 19562 4261 1 9 . 1 1 33 33 LEU H H 33 8.817 8.817 8.369 0.448 19562 4262 1 9 . 1 1 34 34 GLY N N 34 108.970 108.970 107.138 1.832 19562 4263 1 9 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.715 0.274 19562 4264 1 9 . 1 1 34 34 GLY H H 34 8.228 8.228 7.786 0.442 19562 4265 1 9 . 1 1 35 35 SER N N 35 118.388 118.388 117.883 0.505 19562 4266 1 9 . 1 1 35 35 SER HA H 35 5.465 5.465 4.507 0.958 19562 4267 1 9 . 1 1 35 35 SER CA C 35 57.205 57.205 58.452 -1.247 19562 4268 1 9 . 1 1 35 35 SER CB C 35 65.393 65.393 63.662 1.731 19562 4269 1 9 . 1 1 35 35 SER H H 35 8.776 8.776 8.362 0.414 19562 4270 1 9 . 1 1 36 36 GLY N N 36 109.081 109.081 110.320 -1.239 19562 4271 1 9 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.468 2.018 19562 4272 1 9 . 1 1 36 36 GLY H H 36 9.013 9.013 7.679 1.334 19562 4273 1 9 . 1 1 37 37 ILE N N 37 121.560 121.560 118.955 2.605 19562 4274 1 9 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.656 0.448 19562 4275 1 9 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.387 -1.265 19562 4276 1 9 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.392 -0.927 19562 4277 1 9 . 1 1 37 37 ILE H H 37 8.779 8.779 8.605 0.174 19562 4278 1 9 . 1 1 38 38 MET N N 38 128.553 128.553 122.667 5.886 19562 4279 1 9 . 1 1 38 38 MET HA H 38 5.735 5.735 4.805 0.930 19562 4280 1 9 . 1 1 38 38 MET CA C 38 53.008 53.008 53.575 -0.567 19562 4281 1 9 . 1 1 38 38 MET CB C 38 36.446 36.446 34.513 1.933 19562 4282 1 9 . 1 1 38 38 MET H H 38 9.827 9.827 9.379 0.448 19562 4283 1 9 . 1 1 39 39 GLU N N 39 129.378 129.378 128.002 1.376 19562 4284 1 9 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.563 0.937 19562 4285 1 9 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.695 -2.240 19562 4286 1 9 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.855 4.681 19562 4287 1 9 . 1 1 39 39 GLU H H 39 10.160 10.160 9.088 1.072 19562 4288 1 9 . 1 1 40 40 LEU N N 40 127.174 127.174 130.309 -3.135 19562 4289 1 9 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.514 0.564 19562 4290 1 9 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.957 -0.517 19562 4291 1 9 . 1 1 40 40 LEU CB C 40 42.013 42.013 42.130 -0.117 19562 4292 1 9 . 1 1 40 40 LEU H H 40 8.334 8.334 8.739 -0.405 19562 4293 1 9 . 1 1 41 41 THR N N 41 115.971 115.971 116.838 -0.867 19562 4294 1 9 . 1 1 41 41 THR HA H 41 5.012 5.012 4.711 0.301 19562 4295 1 9 . 1 1 41 41 THR CA C 41 59.113 59.113 59.506 -0.393 19562 4296 1 9 . 1 1 41 41 THR CB C 41 69.295 69.295 70.967 -1.672 19562 4297 1 9 . 1 1 41 41 THR H H 41 8.682 8.682 8.044 0.638 19562 4298 1 9 . 1 1 42 42 ASP N N 42 117.467 117.467 119.091 -1.624 19562 4299 1 9 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.218 0.397 19562 4300 1 9 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.839 -1.147 19562 4301 1 9 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.633 -0.842 19562 4302 1 9 . 1 1 42 42 ASP H H 42 8.794 8.794 8.684 0.110 19562 4303 1 9 . 1 1 43 43 THR N N 43 104.010 104.010 105.383 -1.373 19562 4304 1 9 . 1 1 43 43 THR HA H 43 4.412 4.412 3.540 0.872 19562 4305 1 9 . 1 1 43 43 THR CA C 43 61.601 61.601 61.524 0.077 19562 4306 1 9 . 1 1 43 43 THR CB C 43 71.362 71.362 70.629 0.733 19562 4307 1 9 . 1 1 43 43 THR H H 43 7.763 7.763 7.365 0.398 19562 4308 1 9 . 1 1 44 44 GLU N N 44 118.980 118.980 122.026 -3.046 19562 4309 1 9 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.026 -0.856 19562 4310 1 9 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.175 -1.235 19562 4311 1 9 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.097 0.390 19562 4312 1 9 . 1 1 44 44 GLU H H 44 7.263 7.263 7.663 -0.400 19562 4313 1 9 . 1 1 45 45 LEU N N 45 122.138 122.138 127.405 -5.267 19562 4314 1 9 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.949 0.023 19562 4315 1 9 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.562 -0.841 19562 4316 1 9 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.632 1.606 19562 4317 1 9 . 1 1 45 45 LEU H H 45 8.314 8.314 9.258 -0.944 19562 4318 1 9 . 1 1 46 46 ILE N N 46 124.244 124.244 126.399 -2.155 19562 4319 1 9 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.496 0.228 19562 4320 1 9 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.838 1.472 19562 4321 1 9 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.250 4.240 19562 4322 1 9 . 1 1 46 46 ILE H H 46 9.154 9.154 9.109 0.045 19562 4323 1 9 . 1 1 47 47 LEU N N 47 127.510 127.510 131.440 -3.930 19562 4324 1 9 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.906 0.360 19562 4325 1 9 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.323 -1.617 19562 4326 1 9 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.846 2.890 19562 4327 1 9 . 1 1 47 47 LEU H H 47 9.378 9.378 8.433 0.945 19562 4328 1 9 . 1 1 48 48 TYR N N 48 128.014 128.014 127.244 0.770 19562 4329 1 9 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.703 0.331 19562 4330 1 9 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.510 -0.073 19562 4331 1 9 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.925 1.866 19562 4332 1 9 . 1 1 48 48 TYR H H 48 9.724 9.724 8.810 0.914 19562 4333 1 9 . 1 1 49 49 THR N N 49 115.097 115.097 116.723 -1.626 19562 4334 1 9 . 1 1 49 49 THR HA H 49 4.813 4.813 4.574 0.239 19562 4335 1 9 . 1 1 49 49 THR CA C 49 60.349 60.349 60.531 -0.182 19562 4336 1 9 . 1 1 49 49 THR CB C 49 70.967 70.967 70.665 0.302 19562 4337 1 9 . 1 1 49 49 THR H H 49 8.659 8.659 7.781 0.878 19562 4338 1 9 . 1 1 50 50 ARG N N 50 120.411 120.411 120.268 0.143 19562 4339 1 9 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.157 0.042 19562 4340 1 9 . 1 1 50 50 ARG CA C 50 57.447 57.447 59.494 -2.047 19562 4341 1 9 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.314 -0.540 19562 4342 1 9 . 1 1 50 50 ARG H H 50 8.649 8.649 8.830 -0.181 19562 4343 1 9 . 1 1 51 51 LYS N N 51 117.579 117.579 116.907 0.672 19562 4344 1 9 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.493 -0.330 19562 4345 1 9 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.525 0.153 19562 4346 1 9 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.662 -1.305 19562 4347 1 9 . 1 1 51 51 LYS H H 51 8.406 8.406 8.131 0.275 19562 4348 1 9 . 1 1 52 52 ARG N N 52 116.662 116.662 121.402 -4.740 19562 4349 1 9 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.293 0.149 19562 4350 1 9 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.555 -1.250 19562 4351 1 9 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.926 0.824 19562 4352 1 9 . 1 1 52 52 ARG H H 52 7.973 7.973 7.987 -0.014 19562 4353 1 9 . 1 1 53 53 ASP N N 53 119.760 119.760 115.949 3.811 19562 4354 1 9 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.363 0.397 19562 4355 1 9 . 1 1 53 53 ASP CA C 53 53.891 53.891 55.009 -1.118 19562 4356 1 9 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.135 -0.128 19562 4357 1 9 . 1 1 53 53 ASP H H 53 8.066 8.066 7.845 0.221 19562 4358 1 9 . 1 1 54 54 SER N N 54 116.756 116.756 116.322 0.434 19562 4359 1 9 . 1 1 54 54 SER HA H 54 4.891 4.891 4.201 0.690 19562 4360 1 9 . 1 1 54 54 SER CA C 54 57.072 57.072 59.420 -2.348 19562 4361 1 9 . 1 1 54 54 SER CB C 54 64.473 64.473 61.560 2.913 19562 4362 1 9 . 1 1 54 54 SER H H 54 8.477 8.477 8.348 0.129 19562 4363 1 9 . 1 1 55 55 VAL N N 55 122.716 122.716 124.419 -1.703 19562 4364 1 9 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.912 0.036 19562 4365 1 9 . 1 1 55 55 VAL CA C 55 60.456 60.456 62.943 -2.487 19562 4366 1 9 . 1 1 55 55 VAL CB C 55 33.538 33.538 33.023 0.515 19562 4367 1 9 . 1 1 55 55 VAL H H 55 8.334 8.334 8.871 -0.537 19562 4368 1 9 . 1 1 56 56 LYS N N 56 121.568 121.568 120.671 0.897 19562 4369 1 9 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.925 0.346 19562 4370 1 9 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.610 -0.919 19562 4371 1 9 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.098 0.705 19562 4372 1 9 . 1 1 56 56 LYS H H 56 7.501 7.501 7.905 -0.404 19562 4373 1 9 . 1 1 57 57 TRP N N 57 123.638 123.638 123.269 0.369 19562 4374 1 9 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.801 -0.136 19562 4375 1 9 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.412 1.350 19562 4376 1 9 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.761 0.789 19562 4377 1 9 . 1 1 57 57 TRP H H 57 9.453 9.453 8.740 0.713 19562 4378 1 9 . 1 1 58 58 HIS N N 58 125.312 125.312 126.310 -0.998 19562 4379 1 9 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.101 -0.562 19562 4380 1 9 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.390 -0.206 19562 4381 1 9 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.311 -0.986 19562 4382 1 9 . 1 1 58 58 HIS H H 58 9.024 9.024 8.760 0.264 19562 4383 1 9 . 1 1 59 59 TYR N N 59 126.691 126.691 125.744 0.947 19562 4384 1 9 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.177 0.175 19562 4385 1 9 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.905 -0.206 19562 4386 1 9 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.107 -1.580 19562 4387 1 9 . 1 1 59 59 TYR H H 59 8.079 8.079 8.975 -0.896 19562 4388 1 9 . 1 1 60 60 LEU N N 60 114.859 114.859 117.609 -2.750 19562 4389 1 9 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.351 -0.114 19562 4390 1 9 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.477 0.622 19562 4391 1 9 . 1 1 60 60 LEU CB C 60 40.554 40.554 39.916 0.638 19562 4392 1 9 . 1 1 60 60 LEU H H 60 9.307 9.307 8.152 1.155 19562 4393 1 9 . 1 1 61 61 CYS N N 61 114.415 114.415 115.730 -1.315 19562 4394 1 9 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.591 0.655 19562 4395 1 9 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.098 -0.665 19562 4396 1 9 . 1 1 61 61 CYS CB C 61 28.066 28.066 31.029 -2.963 19562 4397 1 9 . 1 1 61 61 CYS H H 61 8.421 8.421 7.714 0.707 19562 4398 1 9 . 1 1 62 62 LEU N N 62 122.413 122.413 124.040 -1.627 19562 4399 1 9 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.339 0.408 19562 4400 1 9 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.828 -1.390 19562 4401 1 9 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.072 0.967 19562 4402 1 9 . 1 1 62 62 LEU H H 62 7.702 7.702 7.422 0.280 19562 4403 1 9 . 1 1 63 63 ARG N N 63 122.839 122.839 121.628 1.211 19562 4404 1 9 . 1 1 63 63 ARG H H 63 9.301 9.301 8.898 0.403 19562 4405 1 9 . 1 1 64 64 ARG N N 64 111.512 111.512 117.630 -6.118 19562 4406 1 9 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.678 0.808 19562 4407 1 9 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.240 -1.595 19562 4408 1 9 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.842 3.163 19562 4409 1 9 . 1 1 64 64 ARG H H 64 7.457 7.457 7.614 -0.157 19562 4410 1 9 . 1 1 65 65 TYR N N 65 115.127 115.127 120.163 -5.036 19562 4411 1 9 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.238 0.302 19562 4412 1 9 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.227 0.962 19562 4413 1 9 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.819 -1.304 19562 4414 1 9 . 1 1 65 65 TYR H H 65 8.340 8.340 8.502 -0.162 19562 4415 1 9 . 1 1 66 66 GLY N N 66 104.938 104.938 108.847 -3.909 19562 4416 1 9 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.525 2.375 19562 4417 1 9 . 1 1 66 66 GLY H H 66 8.950 8.950 8.636 0.314 19562 4418 1 9 . 1 1 67 67 TYR N N 67 117.143 117.143 119.907 -2.764 19562 4419 1 9 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.509 0.053 19562 4420 1 9 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.981 -1.496 19562 4421 1 9 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.167 2.180 19562 4422 1 9 . 1 1 67 67 TYR H H 67 8.022 8.022 7.960 0.062 19562 4423 1 9 . 1 1 68 68 ASP N N 68 119.290 119.290 128.851 -9.561 19562 4424 1 9 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.043 -0.213 19562 4425 1 9 . 1 1 68 68 ASP CA C 68 55.442 55.442 54.083 1.359 19562 4426 1 9 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.455 3.561 19562 4427 1 9 . 1 1 68 68 ASP H H 68 8.656 8.656 9.003 -0.347 19562 4428 1 9 . 1 1 69 69 SER N N 69 119.561 119.561 122.678 -3.117 19562 4429 1 9 . 1 1 69 69 SER HA H 69 4.040 4.040 4.157 -0.117 19562 4430 1 9 . 1 1 69 69 SER CB C 69 59.170 59.170 62.354 -3.184 19562 4431 1 9 . 1 1 69 69 SER H H 69 8.957 8.957 8.725 0.232 19562 4432 1 9 . 1 1 70 70 ASN N N 70 119.438 119.438 111.624 7.814 19562 4433 1 9 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.518 0.614 19562 4434 1 9 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.500 -2.512 19562 4435 1 9 . 1 1 70 70 ASN CB C 70 37.278 37.278 36.979 0.299 19562 4436 1 9 . 1 1 70 70 ASN H H 70 8.502 8.502 8.756 -0.254 19562 4437 1 9 . 1 1 71 71 LEU N N 71 120.481 120.481 119.781 0.700 19562 4438 1 9 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.900 0.665 19562 4439 1 9 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.968 -0.517 19562 4440 1 9 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.783 1.953 19562 4441 1 9 . 1 1 71 71 LEU H H 71 8.807 8.807 7.696 1.111 19562 4442 1 9 . 1 1 72 72 PHE N N 72 120.815 120.815 127.503 -6.688 19562 4443 1 9 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.414 0.113 19562 4444 1 9 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.477 -0.293 19562 4445 1 9 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.615 1.248 19562 4446 1 9 . 1 1 72 72 PHE H H 72 9.439 9.439 9.705 -0.266 19562 4447 1 9 . 1 1 73 73 SER N N 73 120.270 120.270 118.985 1.285 19562 4448 1 9 . 1 1 73 73 SER HA H 73 5.387 5.387 4.748 0.639 19562 4449 1 9 . 1 1 73 73 SER CA C 73 54.994 54.994 55.087 -0.093 19562 4450 1 9 . 1 1 73 73 SER CB C 73 66.409 66.409 65.858 0.551 19562 4451 1 9 . 1 1 73 73 SER H H 73 8.597 8.597 8.150 0.447 19562 4452 1 9 . 1 1 74 74 PHE N N 74 117.157 117.157 116.697 0.460 19562 4453 1 9 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.373 -0.112 19562 4454 1 9 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.800 -0.101 19562 4455 1 9 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.476 0.427 19562 4456 1 9 . 1 1 74 74 PHE H H 74 8.050 8.050 8.680 -0.630 19562 4457 1 9 . 1 1 75 75 GLU HA H 75 5.736 5.736 5.047 0.689 19562 4458 1 9 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.922 -3.213 19562 4459 1 9 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.074 0.746 19562 4460 1 9 . 1 1 76 76 SER N N 76 123.656 123.656 123.329 0.327 19562 4461 1 9 . 1 1 76 76 SER HA H 76 5.243 5.243 5.445 -0.202 19562 4462 1 9 . 1 1 76 76 SER CA C 76 56.906 56.906 56.546 0.360 19562 4463 1 9 . 1 1 76 76 SER CB C 76 67.886 67.886 64.643 3.243 19562 4464 1 9 . 1 1 76 76 SER H H 76 9.930 9.930 8.835 1.095 19562 4465 1 9 . 1 1 77 77 GLY N N 77 105.906 105.906 112.709 -6.803 19562 4466 1 9 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.604 -0.604 19562 4467 1 9 . 1 1 77 77 GLY H H 77 8.939 8.939 8.670 0.269 19562 4468 1 9 . 1 1 78 78 ARG N N 78 114.676 114.676 120.481 -5.805 19562 4469 1 9 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.465 -0.448 19562 4470 1 9 . 1 1 78 78 ARG H H 78 9.680 9.680 7.939 1.741 19562 4471 1 9 . 1 1 79 79 ARG N N 79 121.801 121.801 119.102 2.699 19562 4472 1 9 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.138 0.435 19562 4473 1 9 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.818 -1.890 19562 4474 1 9 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.220 -3.150 19562 4475 1 9 . 1 1 79 79 ARG H H 79 9.389 9.389 8.425 0.964 19562 4476 1 9 . 1 1 80 80 CYS N N 80 113.901 113.901 119.835 -5.934 19562 4477 1 9 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.537 0.351 19562 4478 1 9 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.821 -1.856 19562 4479 1 9 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.829 -1.231 19562 4480 1 9 . 1 1 80 80 CYS H H 80 7.994 7.994 8.177 -0.183 19562 4481 1 9 . 1 1 81 81 GLN N N 81 122.839 122.839 126.018 -3.179 19562 4482 1 9 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.939 0.157 19562 4483 1 9 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.745 0.194 19562 4484 1 9 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.796 -0.456 19562 4485 1 9 . 1 1 81 81 GLN H H 81 8.950 8.950 8.953 -0.003 19562 4486 1 9 . 1 1 82 82 THR N N 82 107.297 107.297 108.997 -1.700 19562 4487 1 9 . 1 1 82 82 THR HA H 82 4.207 4.207 4.502 -0.295 19562 4488 1 9 . 1 1 82 82 THR CA C 82 63.147 63.147 60.821 2.326 19562 4489 1 9 . 1 1 82 82 THR CB C 82 70.591 70.591 68.862 1.730 19562 4490 1 9 . 1 1 82 82 THR H H 82 8.345 8.345 8.035 0.310 19562 4491 1 9 . 1 1 83 83 GLY N N 83 112.681 112.681 111.332 1.349 19562 4492 1 9 . 1 1 83 83 GLY CA C 83 43.994 43.994 47.146 -3.152 19562 4493 1 9 . 1 1 83 83 GLY H H 83 7.820 7.820 8.214 -0.394 19562 4494 1 9 . 1 1 84 84 GLN N N 84 119.972 119.972 116.241 3.731 19562 4495 1 9 . 1 1 84 84 GLN H H 84 8.622 8.622 8.556 0.066 19562 4496 1 9 . 1 1 85 85 GLY N N 85 111.040 111.040 106.357 4.683 19562 4497 1 9 . 1 1 85 85 GLY H H 85 8.056 8.056 8.043 0.013 19562 4498 1 9 . 1 1 86 86 ILE N N 86 121.645 121.645 125.525 -3.880 19562 4499 1 9 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.206 0.080 19562 4500 1 9 . 1 1 86 86 ILE CA C 86 60.162 60.162 60.971 -0.809 19562 4501 1 9 . 1 1 86 86 ILE CB C 86 38.542 38.542 35.388 3.154 19562 4502 1 9 . 1 1 86 86 ILE H H 86 8.021 8.021 8.189 -0.168 19562 4503 1 9 . 1 1 87 87 PHE N N 87 123.890 123.890 129.813 -5.923 19562 4504 1 9 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.492 0.134 19562 4505 1 9 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.411 0.533 19562 4506 1 9 . 1 1 87 87 PHE CB C 87 42.003 42.003 42.170 -0.167 19562 4507 1 9 . 1 1 87 87 PHE H H 87 8.476 8.476 9.035 -0.559 19562 4508 1 9 . 1 1 88 88 ALA N N 88 124.824 124.824 128.450 -3.626 19562 4509 1 9 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.322 0.959 19562 4510 1 9 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.833 0.371 19562 4511 1 9 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.812 0.523 19562 4512 1 9 . 1 1 88 88 ALA H H 88 9.149 9.149 8.277 0.872 19562 4513 1 9 . 1 1 89 89 PHE N N 89 118.047 118.047 119.300 -1.253 19562 4514 1 9 . 1 1 89 89 PHE HA H 89 5.445 5.445 5.004 0.441 19562 4515 1 9 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.579 0.126 19562 4516 1 9 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.805 0.691 19562 4517 1 9 . 1 1 89 89 PHE H H 89 9.423 9.423 9.040 0.383 19562 4518 1 9 . 1 1 90 90 LYS N N 90 122.937 122.937 125.578 -2.641 19562 4519 1 9 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.640 0.865 19562 4520 1 9 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.328 -1.500 19562 4521 1 9 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.524 2.489 19562 4522 1 9 . 1 1 90 90 LYS H H 90 9.943 9.943 9.237 0.706 19562 4523 1 9 . 1 1 91 91 CYS N N 91 126.115 126.115 122.718 3.397 19562 4524 1 9 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.663 0.090 19562 4525 1 9 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.147 1.028 19562 4526 1 9 . 1 1 91 91 CYS CB C 91 28.809 28.809 28.888 -0.079 19562 4527 1 9 . 1 1 91 91 CYS H H 91 9.689 9.689 8.211 1.478 19562 4528 1 9 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.214 0.217 19562 4529 1 9 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.661 0.049 19562 4530 1 9 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.714 -0.851 19562 4531 1 9 . 1 1 93 93 ARG N N 93 117.248 117.248 117.555 -0.307 19562 4532 1 9 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.107 0.905 19562 4533 1 9 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.891 0.067 19562 4534 1 9 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.020 3.783 19562 4535 1 9 . 1 1 93 93 ARG H H 93 7.964 7.964 8.094 -0.130 19562 4536 1 9 . 1 1 94 94 ALA N N 94 122.369 122.369 123.900 -1.531 19562 4537 1 9 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.992 -0.469 19562 4538 1 9 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.501 -0.529 19562 4539 1 9 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.887 -0.791 19562 4540 1 9 . 1 1 94 94 ALA H H 94 7.310 7.310 8.176 -0.866 19562 4541 1 9 . 1 1 95 95 GLU N N 95 116.205 116.205 118.196 -1.991 19562 4542 1 9 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.713 -0.233 19562 4543 1 9 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.059 -0.363 19562 4544 1 9 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.751 1.310 19562 4545 1 9 . 1 1 95 95 GLU H H 95 8.376 8.376 8.420 -0.044 19562 4546 1 9 . 1 1 96 96 GLU N N 96 119.188 119.188 120.155 -0.967 19562 4547 1 9 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.023 -0.056 19562 4548 1 9 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.469 0.431 19562 4549 1 9 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.142 0.888 19562 4550 1 9 . 1 1 96 96 GLU H H 96 7.418 7.418 7.872 -0.454 19562 4551 1 9 . 1 1 97 97 LEU N N 97 123.654 123.654 120.673 2.981 19562 4552 1 9 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.126 -1.112 19562 4553 1 9 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.410 0.309 19562 4554 1 9 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.892 -0.879 19562 4555 1 9 . 1 1 97 97 LEU H H 97 7.847 7.847 8.524 -0.677 19562 4556 1 9 . 1 1 98 98 PHE N N 98 118.746 118.746 119.471 -0.725 19562 4557 1 9 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.344 -0.551 19562 4558 1 9 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.509 0.187 19562 4559 1 9 . 1 1 98 98 PHE H H 98 8.076 8.076 9.132 -1.056 19562 4560 1 9 . 1 1 99 99 ASN N N 99 117.017 117.017 117.751 -0.734 19562 4561 1 9 . 1 1 99 99 ASN HA H 99 4.220 4.220 3.876 0.344 19562 4562 1 9 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.879 -0.413 19562 4563 1 9 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.137 -0.856 19562 4564 1 9 . 1 1 99 99 ASN H H 99 8.622 8.622 8.262 0.360 19562 4565 1 9 . 1 1 100 100 MET N N 100 121.914 121.914 120.236 1.678 19562 4566 1 9 . 1 1 100 100 MET HA H 100 4.061 4.061 4.179 -0.118 19562 4567 1 9 . 1 1 100 100 MET CA C 100 58.699 58.699 59.033 -0.334 19562 4568 1 9 . 1 1 100 100 MET CB C 100 32.048 32.048 32.585 -0.537 19562 4569 1 9 . 1 1 100 100 MET H H 100 8.316 8.316 8.532 -0.216 19562 4570 1 9 . 1 1 101 101 LEU N N 101 121.094 121.094 120.199 0.895 19562 4571 1 9 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.078 -0.498 19562 4572 1 9 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.133 -0.707 19562 4573 1 9 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.418 -0.318 19562 4574 1 9 . 1 1 101 101 LEU H H 101 8.047 8.047 8.684 -0.637 19562 4575 1 9 . 1 1 102 102 GLN N N 102 116.417 116.417 117.171 -0.754 19562 4576 1 9 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.095 -0.181 19562 4577 1 9 . 1 1 102 102 GLN CA C 102 58.446 58.446 59.050 -0.604 19562 4578 1 9 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.319 0.368 19562 4579 1 9 . 1 1 102 102 GLN H H 102 8.195 8.195 8.495 -0.299 19562 4580 1 9 . 1 1 103 103 GLU N N 103 119.096 119.096 120.557 -1.461 19562 4581 1 9 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.042 -0.134 19562 4582 1 9 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.909 0.008 19562 4583 1 9 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.448 -0.386 19562 4584 1 9 . 1 1 103 103 GLU H H 103 7.635 7.635 8.371 -0.736 19562 4585 1 9 . 1 1 104 104 ILE N N 104 120.803 120.803 121.474 -0.671 19562 4586 1 9 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.560 0.041 19562 4587 1 9 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.056 -1.346 19562 4588 1 9 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.810 0.240 19562 4589 1 9 . 1 1 104 104 ILE H H 104 7.965 7.965 8.739 -0.774 19562 4590 1 9 . 1 1 105 105 MET N N 105 117.016 117.016 118.371 -1.355 19562 4591 1 9 . 1 1 105 105 MET HA H 105 4.020 4.020 4.130 -0.110 19562 4592 1 9 . 1 1 105 105 MET CA C 105 57.384 57.384 59.698 -2.314 19562 4593 1 9 . 1 1 105 105 MET H H 105 8.145 8.145 8.543 -0.398 19562 4594 1 9 . 1 1 106 106 GLN N N 106 116.150 116.150 117.435 -1.285 19562 4595 1 9 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.157 0.046 19562 4596 1 9 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.349 -1.708 19562 4597 1 9 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.597 -0.484 19562 4598 1 9 . 1 1 106 106 GLN H H 106 7.930 7.930 8.023 -0.093 19562 4599 1 9 . 1 1 107 107 ASN N N 107 117.360 117.360 115.427 1.933 19562 4600 1 9 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.720 0.000 19562 4601 1 9 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.363 -0.866 19562 4602 1 9 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.420 -0.861 19562 4603 1 9 . 1 1 107 107 ASN H H 107 7.872 7.872 8.602 -0.730 19562 4604 1 9 . 1 1 108 108 ASN N N 108 118.611 118.611 117.606 1.005 19562 4605 1 9 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.875 -0.115 19562 4606 1 9 . 1 1 108 108 ASN CA C 108 52.700 52.700 53.622 -0.922 19562 4607 1 9 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.793 -1.275 19562 4608 1 9 . 1 1 108 108 ASN H H 108 8.144 8.144 8.303 -0.159 19562 4609 1 9 . 1 1 109 109 SER N N 109 115.704 115.704 113.143 2.561 19562 4610 1 9 . 1 1 109 109 SER HA H 109 4.519 4.519 4.062 0.457 19562 4611 1 9 . 1 1 109 109 SER CA C 109 57.700 57.700 60.261 -2.561 19562 4612 1 9 . 1 1 109 109 SER CB C 109 63.150 63.150 63.240 -0.090 19562 4613 1 9 . 1 1 109 109 SER H H 109 8.215 8.215 7.916 0.299 19562 4614 1 9 . 1 1 110 110 ILE N N 110 121.954 121.954 119.756 2.198 19562 4615 1 9 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.738 0.474 19562 4616 1 9 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.029 -1.143 19562 4617 1 9 . 1 1 110 110 ILE CB C 110 38.235 38.235 37.679 0.556 19562 4618 1 9 . 1 1 110 110 ILE H H 110 8.061 8.061 7.808 0.253 19562 4619 1 9 . 1 1 111 111 ASN N N 111 122.386 122.386 124.734 -2.348 19562 4620 1 9 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.000 -0.218 19562 4621 1 9 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.301 0.433 19562 4622 1 9 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.041 -2.241 19562 4623 1 9 . 1 1 111 111 ASN H H 111 8.376 8.376 8.401 -0.025 19562 4624 1 9 . 1 1 112 112 VAL N N 112 120.830 120.830 122.032 -1.202 19562 4625 1 9 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.327 -0.142 19562 4626 1 9 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.105 -0.445 19562 4627 1 9 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.631 0.699 19562 4628 1 9 . 1 1 112 112 VAL H H 112 8.067 8.067 8.142 -0.075 19562 4629 1 9 . 1 1 113 113 VAL N N 113 124.249 124.249 120.675 3.574 19562 4630 1 9 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.784 0.331 19562 4631 1 9 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.438 -1.988 19562 4632 1 9 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.828 -0.483 19562 4633 1 9 . 1 1 113 113 VAL H H 113 8.167 8.167 7.753 0.414 19562 4634 1 9 . 1 1 114 114 GLU N N 114 125.288 125.288 121.116 4.172 19562 4635 1 9 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.042 0.267 19562 4636 1 9 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.061 -1.371 19562 4637 1 9 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.530 0.520 19562 4638 1 9 . 1 1 114 114 GLU H H 114 8.405 8.405 8.392 0.013 19562 4639 1 9 . 1 1 115 115 GLU N N 115 123.990 123.990 122.769 1.221 19562 4640 1 9 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.294 0.269 19562 4641 1 9 . 1 1 115 115 GLU CA C 115 53.725 53.725 55.507 -1.782 19562 4642 1 9 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.705 -0.270 19562 4643 1 9 . 1 1 115 115 GLU H H 115 8.392 8.392 8.489 -0.097 19562 4644 1 9 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.349 0.081 19562 4645 1 9 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.780 -0.110 19562 4646 1 9 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.113 1.542 19562 4647 1 9 . 1 1 117 117 VAL N N 117 121.339 121.339 116.463 4.876 19562 4648 1 9 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.677 0.399 19562 4649 1 9 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.515 -0.525 19562 4650 1 9 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.569 0.251 19562 4651 1 9 . 1 1 117 117 VAL H H 117 8.266 8.266 7.917 0.349 19562 4652 1 9 . 1 1 118 118 VAL N N 118 124.762 124.762 126.333 -1.571 19562 4653 1 9 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.045 0.071 19562 4654 1 9 . 1 1 118 118 VAL H H 118 8.202 8.202 8.126 0.076 19562 4655 1 9 . 1 1 119 119 GLU N N 119 125.304 125.304 126.151 -0.847 19562 4656 1 9 . 1 1 119 119 GLU H H 119 8.479 8.479 8.618 -0.139 19562 4657 1 9 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.321 0.074 19562 4658 1 9 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.489 -1.139 19562 4659 1 9 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.689 0.876 19562 4660 1 9 . 1 1 121 121 ASN N N 121 120.465 120.465 117.474 2.991 19562 4661 1 9 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.720 0.034 19562 4662 1 9 . 1 1 121 121 ASN H H 121 8.536 8.536 7.857 0.679 19562 4663 1 10 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.768 -0.149 19562 4664 1 10 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.799 0.349 19562 4665 1 10 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.286 -0.677 19562 4666 1 10 . 1 1 10 10 MET N N 10 120.964 120.964 121.088 -0.124 19562 4667 1 10 . 1 1 10 10 MET HA H 10 4.395 4.395 4.204 0.191 19562 4668 1 10 . 1 1 10 10 MET CA C 10 55.153 55.153 58.075 -2.922 19562 4669 1 10 . 1 1 10 10 MET CB C 10 32.293 32.293 33.329 -1.036 19562 4670 1 10 . 1 1 10 10 MET H H 10 8.274 8.274 7.668 0.606 19562 4671 1 10 . 1 1 11 11 ASP N N 11 120.989 120.989 116.330 4.659 19562 4672 1 10 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.728 0.018 19562 4673 1 10 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.704 0.496 19562 4674 1 10 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.810 -0.610 19562 4675 1 10 . 1 1 11 11 ASP H H 11 8.281 8.281 8.419 -0.138 19562 4676 1 10 . 1 1 12 12 THR N N 12 113.244 113.244 113.456 -0.212 19562 4677 1 10 . 1 1 12 12 THR HA H 12 4.312 4.312 4.298 0.014 19562 4678 1 10 . 1 1 12 12 THR CA C 12 61.218 61.218 62.335 -1.117 19562 4679 1 10 . 1 1 12 12 THR CB C 12 69.316 69.316 67.341 1.974 19562 4680 1 10 . 1 1 12 12 THR H H 12 7.979 7.979 8.028 -0.049 19562 4681 1 10 . 1 1 13 13 VAL N N 13 123.579 123.579 126.387 -2.808 19562 4682 1 10 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.146 0.258 19562 4683 1 10 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.480 -1.246 19562 4684 1 10 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.343 -0.044 19562 4685 1 10 . 1 1 13 13 VAL H H 13 8.021 8.021 7.766 0.255 19562 4686 1 10 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.782 -0.355 19562 4687 1 10 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.082 0.818 19562 4688 1 10 . 1 1 14 14 PRO CB C 14 31.790 31.790 33.183 -1.393 19562 4689 1 10 . 1 1 15 15 ASP N N 15 120.556 120.556 115.916 4.640 19562 4690 1 10 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.341 0.111 19562 4691 1 10 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.265 -0.844 19562 4692 1 10 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.212 -0.653 19562 4693 1 10 . 1 1 15 15 ASP H H 15 8.471 8.471 8.401 0.070 19562 4694 1 10 . 1 1 16 16 ASN N N 16 116.991 116.991 117.579 -0.588 19562 4695 1 10 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.687 -0.083 19562 4696 1 10 . 1 1 16 16 ASN CA C 16 52.282 52.282 53.227 -0.945 19562 4697 1 10 . 1 1 16 16 ASN CB C 16 37.731 37.731 38.826 -1.095 19562 4698 1 10 . 1 1 16 16 ASN H H 16 8.111 8.111 7.928 0.183 19562 4699 1 10 . 1 1 17 17 HIS N N 17 119.335 119.335 121.855 -2.520 19562 4700 1 10 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.796 -0.384 19562 4701 1 10 . 1 1 17 17 HIS CA C 17 56.436 56.436 54.254 2.182 19562 4702 1 10 . 1 1 17 17 HIS CB C 17 30.009 30.009 31.759 -1.750 19562 4703 1 10 . 1 1 17 17 HIS H H 17 8.014 8.014 7.461 0.553 19562 4704 1 10 . 1 1 18 18 ARG N N 18 122.269 122.269 119.437 2.832 19562 4705 1 10 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.912 0.071 19562 4706 1 10 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.877 -1.458 19562 4707 1 10 . 1 1 18 18 ARG CB C 18 29.781 29.781 29.803 -0.022 19562 4708 1 10 . 1 1 18 18 ARG H H 18 8.209 8.209 8.817 -0.608 19562 4709 1 10 . 1 1 19 19 ASN N N 19 114.495 114.495 114.161 0.334 19562 4710 1 10 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.282 0.433 19562 4711 1 10 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.724 -1.001 19562 4712 1 10 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.927 -0.893 19562 4713 1 10 . 1 1 19 19 ASN H H 19 8.565 8.565 7.711 0.854 19562 4714 1 10 . 1 1 20 20 LYS N N 20 117.932 117.932 120.773 -2.841 19562 4715 1 10 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.153 1.104 19562 4716 1 10 . 1 1 20 20 LYS CA C 20 54.736 54.736 54.926 -0.190 19562 4717 1 10 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.621 3.394 19562 4718 1 10 . 1 1 20 20 LYS H H 20 7.040 7.040 6.710 0.330 19562 4719 1 10 . 1 1 21 21 PHE N N 21 120.620 120.620 125.162 -4.542 19562 4720 1 10 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.578 -0.069 19562 4721 1 10 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.662 1.259 19562 4722 1 10 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.401 0.797 19562 4723 1 10 . 1 1 21 21 PHE H H 21 9.389 9.389 7.994 1.395 19562 4724 1 10 . 1 1 22 22 LYS N N 22 125.637 125.637 126.925 -1.288 19562 4725 1 10 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.479 0.258 19562 4726 1 10 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.748 1.224 19562 4727 1 10 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.233 0.073 19562 4728 1 10 . 1 1 22 22 LYS H H 22 9.258 9.258 8.927 0.331 19562 4729 1 10 . 1 1 23 23 VAL N N 23 118.282 118.282 119.235 -0.953 19562 4730 1 10 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.423 1.204 19562 4731 1 10 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.432 -1.047 19562 4732 1 10 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.963 2.553 19562 4733 1 10 . 1 1 23 23 VAL H H 23 8.672 8.672 7.994 0.678 19562 4734 1 10 . 1 1 24 24 ILE N N 24 120.397 120.397 118.778 1.619 19562 4735 1 10 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.464 0.349 19562 4736 1 10 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.928 0.232 19562 4737 1 10 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.360 1.708 19562 4738 1 10 . 1 1 24 24 ILE H H 24 8.824 8.824 8.129 0.695 19562 4739 1 10 . 1 1 25 25 ASN N N 25 127.655 127.655 126.570 1.085 19562 4740 1 10 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.841 -0.340 19562 4741 1 10 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.163 1.038 19562 4742 1 10 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.468 1.052 19562 4743 1 10 . 1 1 25 25 ASN H H 25 9.232 9.232 8.784 0.448 19562 4744 1 10 . 1 1 26 26 VAL N N 26 116.322 116.322 115.654 0.668 19562 4745 1 10 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.276 0.266 19562 4746 1 10 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.610 -1.838 19562 4747 1 10 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.307 0.963 19562 4748 1 10 . 1 1 26 26 VAL H H 26 7.680 7.680 7.515 0.165 19562 4749 1 10 . 1 1 27 27 ASP N N 27 117.000 117.000 125.855 -8.855 19562 4750 1 10 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.839 -0.746 19562 4751 1 10 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.437 -2.475 19562 4752 1 10 . 1 1 27 27 ASP H H 27 7.500 7.500 8.172 -0.672 19562 4753 1 10 . 1 1 28 28 ASP N N 28 112.540 112.540 124.021 -11.481 19562 4754 1 10 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.350 -0.179 19562 4755 1 10 . 1 1 28 28 ASP CA C 28 56.298 56.298 55.981 0.317 19562 4756 1 10 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.664 -0.580 19562 4757 1 10 . 1 1 28 28 ASP H H 28 7.922 7.922 8.960 -1.038 19562 4758 1 10 . 1 1 29 29 ASP N N 29 115.319 115.319 116.625 -1.306 19562 4759 1 10 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.650 0.095 19562 4760 1 10 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.994 -0.543 19562 4761 1 10 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.776 0.228 19562 4762 1 10 . 1 1 29 29 ASP H H 29 7.809 7.809 8.230 -0.421 19562 4763 1 10 . 1 1 30 30 GLY N N 30 108.887 108.887 109.214 -0.327 19562 4764 1 10 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.386 -0.897 19562 4765 1 10 . 1 1 30 30 GLY H H 30 8.196 8.196 8.315 -0.119 19562 4766 1 10 . 1 1 31 31 ASN N N 31 119.906 119.906 117.998 1.908 19562 4767 1 10 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.786 -0.303 19562 4768 1 10 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.897 1.304 19562 4769 1 10 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.451 -1.840 19562 4770 1 10 . 1 1 31 31 ASN H H 31 8.643 8.643 8.147 0.496 19562 4771 1 10 . 1 1 32 32 GLU N N 32 119.114 119.114 125.530 -6.416 19562 4772 1 10 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.178 -0.279 19562 4773 1 10 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.575 -0.114 19562 4774 1 10 . 1 1 32 32 GLU H H 32 8.525 8.525 8.997 -0.472 19562 4775 1 10 . 1 1 33 33 LEU N N 33 126.117 126.117 125.126 0.991 19562 4776 1 10 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.398 0.211 19562 4777 1 10 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.583 -0.658 19562 4778 1 10 . 1 1 33 33 LEU CB C 33 40.756 40.756 40.633 0.123 19562 4779 1 10 . 1 1 33 33 LEU H H 33 8.817 8.817 8.117 0.700 19562 4780 1 10 . 1 1 34 34 GLY N N 34 108.970 108.970 106.563 2.407 19562 4781 1 10 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.397 0.592 19562 4782 1 10 . 1 1 34 34 GLY H H 34 8.228 8.228 7.239 0.989 19562 4783 1 10 . 1 1 35 35 SER N N 35 118.388 118.388 117.286 1.102 19562 4784 1 10 . 1 1 35 35 SER HA H 35 5.465 5.465 4.938 0.527 19562 4785 1 10 . 1 1 35 35 SER CA C 35 57.205 57.205 57.659 -0.454 19562 4786 1 10 . 1 1 35 35 SER CB C 35 65.393 65.393 64.774 0.619 19562 4787 1 10 . 1 1 35 35 SER H H 35 8.776 8.776 8.535 0.241 19562 4788 1 10 . 1 1 36 36 GLY N N 36 109.081 109.081 109.693 -0.612 19562 4789 1 10 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.389 2.096 19562 4790 1 10 . 1 1 36 36 GLY H H 36 9.013 9.013 8.269 0.744 19562 4791 1 10 . 1 1 37 37 ILE N N 37 121.560 121.560 118.823 2.737 19562 4792 1 10 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.591 0.513 19562 4793 1 10 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.321 -1.199 19562 4794 1 10 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.296 -0.831 19562 4795 1 10 . 1 1 37 37 ILE H H 37 8.779 8.779 8.450 0.329 19562 4796 1 10 . 1 1 38 38 MET N N 38 128.553 128.553 122.050 6.503 19562 4797 1 10 . 1 1 38 38 MET HA H 38 5.735 5.735 4.878 0.857 19562 4798 1 10 . 1 1 38 38 MET CA C 38 53.008 53.008 53.792 -0.784 19562 4799 1 10 . 1 1 38 38 MET CB C 38 36.446 36.446 34.617 1.829 19562 4800 1 10 . 1 1 38 38 MET H H 38 9.827 9.827 9.201 0.626 19562 4801 1 10 . 1 1 39 39 GLU N N 39 129.378 129.378 127.510 1.868 19562 4802 1 10 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.495 1.005 19562 4803 1 10 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.279 -1.824 19562 4804 1 10 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.489 5.047 19562 4805 1 10 . 1 1 39 39 GLU H H 39 10.160 10.160 9.205 0.955 19562 4806 1 10 . 1 1 40 40 LEU N N 40 127.174 127.174 130.728 -3.554 19562 4807 1 10 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.372 0.706 19562 4808 1 10 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.522 -0.082 19562 4809 1 10 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.165 0.848 19562 4810 1 10 . 1 1 40 40 LEU H H 40 8.334 8.334 8.699 -0.365 19562 4811 1 10 . 1 1 41 41 THR N N 41 115.971 115.971 114.498 1.473 19562 4812 1 10 . 1 1 41 41 THR HA H 41 5.012 5.012 4.483 0.529 19562 4813 1 10 . 1 1 41 41 THR CA C 41 59.113 59.113 59.293 -0.180 19562 4814 1 10 . 1 1 41 41 THR CB C 41 69.295 69.295 71.504 -2.209 19562 4815 1 10 . 1 1 41 41 THR H H 41 8.682 8.682 7.908 0.774 19562 4816 1 10 . 1 1 42 42 ASP N N 42 117.467 117.467 117.746 -0.279 19562 4817 1 10 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.187 0.428 19562 4818 1 10 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.280 -0.588 19562 4819 1 10 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.429 -0.638 19562 4820 1 10 . 1 1 42 42 ASP H H 42 8.794 8.794 8.599 0.195 19562 4821 1 10 . 1 1 43 43 THR N N 43 104.010 104.010 106.178 -2.168 19562 4822 1 10 . 1 1 43 43 THR HA H 43 4.412 4.412 3.481 0.931 19562 4823 1 10 . 1 1 43 43 THR CA C 43 61.601 61.601 61.377 0.224 19562 4824 1 10 . 1 1 43 43 THR CB C 43 71.362 71.362 70.751 0.611 19562 4825 1 10 . 1 1 43 43 THR H H 43 7.763 7.763 7.356 0.407 19562 4826 1 10 . 1 1 44 44 GLU N N 44 118.980 118.980 121.979 -2.999 19562 4827 1 10 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.940 -0.770 19562 4828 1 10 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.051 -1.111 19562 4829 1 10 . 1 1 44 44 GLU CB C 44 33.487 33.487 32.888 0.599 19562 4830 1 10 . 1 1 44 44 GLU H H 44 7.263 7.263 7.691 -0.428 19562 4831 1 10 . 1 1 45 45 LEU N N 45 122.138 122.138 128.289 -6.151 19562 4832 1 10 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.798 0.174 19562 4833 1 10 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.722 -1.001 19562 4834 1 10 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.508 1.730 19562 4835 1 10 . 1 1 45 45 LEU H H 45 8.314 8.314 9.301 -0.987 19562 4836 1 10 . 1 1 46 46 ILE N N 46 124.244 124.244 126.554 -2.310 19562 4837 1 10 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.513 0.211 19562 4838 1 10 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.903 1.407 19562 4839 1 10 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.118 4.372 19562 4840 1 10 . 1 1 46 46 ILE H H 46 9.154 9.154 9.049 0.105 19562 4841 1 10 . 1 1 47 47 LEU N N 47 127.510 127.510 131.099 -3.589 19562 4842 1 10 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.903 0.363 19562 4843 1 10 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.512 -1.806 19562 4844 1 10 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.364 2.372 19562 4845 1 10 . 1 1 47 47 LEU H H 47 9.378 9.378 8.407 0.971 19562 4846 1 10 . 1 1 48 48 TYR N N 48 128.014 128.014 126.987 1.027 19562 4847 1 10 . 1 1 48 48 TYR HA H 48 5.034 5.034 5.001 0.033 19562 4848 1 10 . 1 1 48 48 TYR CA C 48 56.437 56.437 55.635 0.802 19562 4849 1 10 . 1 1 48 48 TYR CB C 48 38.791 38.791 37.180 1.611 19562 4850 1 10 . 1 1 48 48 TYR H H 48 9.724 9.724 8.934 0.790 19562 4851 1 10 . 1 1 49 49 THR N N 49 115.097 115.097 117.723 -2.626 19562 4852 1 10 . 1 1 49 49 THR HA H 49 4.813 4.813 4.480 0.333 19562 4853 1 10 . 1 1 49 49 THR CA C 49 60.349 60.349 61.804 -1.455 19562 4854 1 10 . 1 1 49 49 THR CB C 49 70.967 70.967 69.915 1.052 19562 4855 1 10 . 1 1 49 49 THR H H 49 8.659 8.659 8.584 0.075 19562 4856 1 10 . 1 1 50 50 ARG N N 50 120.411 120.411 121.981 -1.570 19562 4857 1 10 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.222 -0.023 19562 4858 1 10 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.195 -0.748 19562 4859 1 10 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.564 -0.790 19562 4860 1 10 . 1 1 50 50 ARG H H 50 8.649 8.649 8.963 -0.314 19562 4861 1 10 . 1 1 51 51 LYS N N 51 117.579 117.579 117.358 0.221 19562 4862 1 10 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.496 -0.333 19562 4863 1 10 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.166 0.512 19562 4864 1 10 . 1 1 51 51 LYS CB C 51 31.357 31.357 31.944 -0.587 19562 4865 1 10 . 1 1 51 51 LYS H H 51 8.406 8.406 8.427 -0.021 19562 4866 1 10 . 1 1 52 52 ARG N N 52 116.662 116.662 119.775 -3.113 19562 4867 1 10 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.493 -0.051 19562 4868 1 10 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.379 -1.074 19562 4869 1 10 . 1 1 52 52 ARG CB C 52 30.750 30.750 31.148 -0.399 19562 4870 1 10 . 1 1 52 52 ARG H H 52 7.973 7.973 7.798 0.175 19562 4871 1 10 . 1 1 53 53 ASP N N 53 119.760 119.760 114.249 5.511 19562 4872 1 10 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.583 0.177 19562 4873 1 10 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.068 -0.177 19562 4874 1 10 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.583 -0.576 19562 4875 1 10 . 1 1 53 53 ASP H H 53 8.066 8.066 8.304 -0.238 19562 4876 1 10 . 1 1 54 54 SER N N 54 116.756 116.756 116.511 0.245 19562 4877 1 10 . 1 1 54 54 SER HA H 54 4.891 4.891 4.823 0.068 19562 4878 1 10 . 1 1 54 54 SER CA C 54 57.072 57.072 57.891 -0.819 19562 4879 1 10 . 1 1 54 54 SER CB C 54 64.473 64.473 62.253 2.220 19562 4880 1 10 . 1 1 54 54 SER H H 54 8.477 8.477 8.345 0.132 19562 4881 1 10 . 1 1 55 55 VAL N N 55 122.716 122.716 124.150 -1.434 19562 4882 1 10 . 1 1 55 55 VAL HA H 55 3.948 3.948 4.130 -0.182 19562 4883 1 10 . 1 1 55 55 VAL CA C 55 60.456 60.456 62.810 -2.354 19562 4884 1 10 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.463 1.075 19562 4885 1 10 . 1 1 55 55 VAL H H 55 8.334 8.334 9.140 -0.806 19562 4886 1 10 . 1 1 56 56 LYS N N 56 121.568 121.568 119.298 2.270 19562 4887 1 10 . 1 1 56 56 LYS HA H 56 5.271 5.271 5.015 0.256 19562 4888 1 10 . 1 1 56 56 LYS CA C 56 53.691 53.691 53.825 -0.134 19562 4889 1 10 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.050 0.753 19562 4890 1 10 . 1 1 56 56 LYS H H 56 7.501 7.501 8.017 -0.516 19562 4891 1 10 . 1 1 57 57 TRP N N 57 123.638 123.638 122.684 0.954 19562 4892 1 10 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.859 -0.194 19562 4893 1 10 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.141 1.621 19562 4894 1 10 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.266 0.284 19562 4895 1 10 . 1 1 57 57 TRP H H 57 9.453 9.453 9.017 0.436 19562 4896 1 10 . 1 1 58 58 HIS N N 58 125.312 125.312 126.230 -0.918 19562 4897 1 10 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.103 -0.564 19562 4898 1 10 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.449 -0.265 19562 4899 1 10 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.256 -0.930 19562 4900 1 10 . 1 1 58 58 HIS H H 58 9.024 9.024 8.853 0.171 19562 4901 1 10 . 1 1 59 59 TYR N N 59 126.691 126.691 125.455 1.236 19562 4902 1 10 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.197 0.155 19562 4903 1 10 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.651 0.048 19562 4904 1 10 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.065 -1.538 19562 4905 1 10 . 1 1 59 59 TYR H H 59 8.079 8.079 8.949 -0.870 19562 4906 1 10 . 1 1 60 60 LEU N N 60 114.859 114.859 117.876 -3.017 19562 4907 1 10 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.390 -0.153 19562 4908 1 10 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.310 0.789 19562 4909 1 10 . 1 1 60 60 LEU CB C 60 40.554 40.554 39.877 0.677 19562 4910 1 10 . 1 1 60 60 LEU H H 60 9.307 9.307 8.054 1.253 19562 4911 1 10 . 1 1 61 61 CYS N N 61 114.415 114.415 115.987 -1.572 19562 4912 1 10 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.631 0.615 19562 4913 1 10 . 1 1 61 61 CYS CA C 61 57.433 57.433 57.865 -0.432 19562 4914 1 10 . 1 1 61 61 CYS CB C 61 28.066 28.066 31.008 -2.942 19562 4915 1 10 . 1 1 61 61 CYS H H 61 8.421 8.421 7.695 0.726 19562 4916 1 10 . 1 1 62 62 LEU N N 62 122.413 122.413 123.876 -1.463 19562 4917 1 10 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.238 0.509 19562 4918 1 10 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.684 -1.246 19562 4919 1 10 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.245 0.794 19562 4920 1 10 . 1 1 62 62 LEU H H 62 7.702 7.702 7.447 0.255 19562 4921 1 10 . 1 1 63 63 ARG N N 63 122.839 122.839 123.193 -0.354 19562 4922 1 10 . 1 1 63 63 ARG H H 63 9.301 9.301 8.880 0.421 19562 4923 1 10 . 1 1 64 64 ARG N N 64 111.512 111.512 117.662 -6.150 19562 4924 1 10 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.669 0.817 19562 4925 1 10 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.301 -1.656 19562 4926 1 10 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.771 3.234 19562 4927 1 10 . 1 1 64 64 ARG H H 64 7.457 7.457 7.661 -0.204 19562 4928 1 10 . 1 1 65 65 TYR N N 65 115.127 115.127 120.317 -5.190 19562 4929 1 10 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.294 0.246 19562 4930 1 10 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.250 0.939 19562 4931 1 10 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.855 -1.341 19562 4932 1 10 . 1 1 65 65 TYR H H 65 8.340 8.340 8.500 -0.160 19562 4933 1 10 . 1 1 66 66 GLY N N 66 104.938 104.938 108.820 -3.882 19562 4934 1 10 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.637 2.263 19562 4935 1 10 . 1 1 66 66 GLY H H 66 8.950 8.950 8.686 0.264 19562 4936 1 10 . 1 1 67 67 TYR N N 67 117.143 117.143 120.292 -3.149 19562 4937 1 10 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.574 -0.012 19562 4938 1 10 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.005 -1.520 19562 4939 1 10 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.224 2.123 19562 4940 1 10 . 1 1 67 67 TYR H H 67 8.022 8.022 7.975 0.047 19562 4941 1 10 . 1 1 68 68 ASP N N 68 119.290 119.290 125.152 -5.862 19562 4942 1 10 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.135 -0.305 19562 4943 1 10 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.712 3.730 19562 4944 1 10 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.655 2.361 19562 4945 1 10 . 1 1 68 68 ASP H H 68 8.656 8.656 9.155 -0.499 19562 4946 1 10 . 1 1 69 69 SER N N 69 119.561 119.561 117.026 2.535 19562 4947 1 10 . 1 1 69 69 SER HA H 69 4.040 4.040 4.194 -0.154 19562 4948 1 10 . 1 1 69 69 SER CB C 69 59.170 59.170 61.942 -2.772 19562 4949 1 10 . 1 1 69 69 SER H H 69 8.957 8.957 8.583 0.374 19562 4950 1 10 . 1 1 70 70 ASN N N 70 119.438 119.438 115.127 4.311 19562 4951 1 10 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.506 0.626 19562 4952 1 10 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.242 -2.254 19562 4953 1 10 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.203 0.075 19562 4954 1 10 . 1 1 70 70 ASN H H 70 8.502 8.502 8.709 -0.207 19562 4955 1 10 . 1 1 71 71 LEU N N 71 120.481 120.481 119.004 1.477 19562 4956 1 10 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.934 0.631 19562 4957 1 10 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.065 -0.614 19562 4958 1 10 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.565 1.171 19562 4959 1 10 . 1 1 71 71 LEU H H 71 8.807 8.807 8.561 0.246 19562 4960 1 10 . 1 1 72 72 PHE N N 72 120.815 120.815 126.873 -6.058 19562 4961 1 10 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.461 0.066 19562 4962 1 10 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.423 -0.239 19562 4963 1 10 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.620 1.243 19562 4964 1 10 . 1 1 72 72 PHE H H 72 9.439 9.439 9.694 -0.255 19562 4965 1 10 . 1 1 73 73 SER N N 73 120.270 120.270 118.725 1.545 19562 4966 1 10 . 1 1 73 73 SER HA H 73 5.387 5.387 4.133 1.254 19562 4967 1 10 . 1 1 73 73 SER CA C 73 54.994 54.994 55.421 -0.427 19562 4968 1 10 . 1 1 73 73 SER CB C 73 66.409 66.409 65.510 0.899 19562 4969 1 10 . 1 1 73 73 SER H H 73 8.597 8.597 8.232 0.365 19562 4970 1 10 . 1 1 74 74 PHE N N 74 117.157 117.157 116.104 1.053 19562 4971 1 10 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.364 -0.103 19562 4972 1 10 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.032 -0.333 19562 4973 1 10 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.349 0.554 19562 4974 1 10 . 1 1 74 74 PHE H H 74 8.050 8.050 7.683 0.367 19562 4975 1 10 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.871 0.865 19562 4976 1 10 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.960 -3.251 19562 4977 1 10 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.009 0.811 19562 4978 1 10 . 1 1 76 76 SER N N 76 123.656 123.656 123.168 0.488 19562 4979 1 10 . 1 1 76 76 SER HA H 76 5.243 5.243 5.430 -0.187 19562 4980 1 10 . 1 1 76 76 SER CA C 76 56.906 56.906 56.698 0.208 19562 4981 1 10 . 1 1 76 76 SER CB C 76 67.886 67.886 64.470 3.416 19562 4982 1 10 . 1 1 76 76 SER H H 76 9.930 9.930 8.643 1.287 19562 4983 1 10 . 1 1 77 77 GLY N N 77 105.906 105.906 112.381 -6.475 19562 4984 1 10 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.424 -0.424 19562 4985 1 10 . 1 1 77 77 GLY H H 77 8.939 8.939 8.758 0.181 19562 4986 1 10 . 1 1 78 78 ARG N N 78 114.676 114.676 121.990 -7.314 19562 4987 1 10 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.344 -0.327 19562 4988 1 10 . 1 1 78 78 ARG H H 78 9.680 9.680 7.662 2.018 19562 4989 1 10 . 1 1 79 79 ARG N N 79 121.801 121.801 122.687 -0.886 19562 4990 1 10 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.422 0.151 19562 4991 1 10 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.852 -1.925 19562 4992 1 10 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.730 -3.660 19562 4993 1 10 . 1 1 79 79 ARG H H 79 9.389 9.389 8.386 1.004 19562 4994 1 10 . 1 1 80 80 CYS N N 80 113.901 113.901 119.446 -5.545 19562 4995 1 10 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.406 0.482 19562 4996 1 10 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.811 -0.846 19562 4997 1 10 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.230 -0.632 19562 4998 1 10 . 1 1 80 80 CYS H H 80 7.994 7.994 8.392 -0.398 19562 4999 1 10 . 1 1 81 81 GLN N N 81 122.839 122.839 120.159 2.680 19562 5000 1 10 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.152 -0.056 19562 5001 1 10 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.691 0.248 19562 5002 1 10 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.125 -0.785 19562 5003 1 10 . 1 1 81 81 GLN H H 81 8.950 8.950 8.602 0.348 19562 5004 1 10 . 1 1 82 82 THR N N 82 107.297 107.297 110.854 -3.557 19562 5005 1 10 . 1 1 82 82 THR HA H 82 4.207 4.207 4.444 -0.237 19562 5006 1 10 . 1 1 82 82 THR CA C 82 63.147 63.147 61.553 1.594 19562 5007 1 10 . 1 1 82 82 THR CB C 82 70.591 70.591 69.311 1.280 19562 5008 1 10 . 1 1 82 82 THR H H 82 8.345 8.345 8.038 0.307 19562 5009 1 10 . 1 1 83 83 GLY N N 83 112.681 112.681 110.051 2.630 19562 5010 1 10 . 1 1 83 83 GLY CA C 83 43.994 43.994 44.891 -0.897 19562 5011 1 10 . 1 1 83 83 GLY H H 83 7.820 7.820 7.862 -0.042 19562 5012 1 10 . 1 1 84 84 GLN N N 84 119.972 119.972 123.636 -3.664 19562 5013 1 10 . 1 1 84 84 GLN H H 84 8.622 8.622 8.531 0.091 19562 5014 1 10 . 1 1 85 85 GLY N N 85 111.040 111.040 106.405 4.635 19562 5015 1 10 . 1 1 85 85 GLY H H 85 8.056 8.056 7.799 0.257 19562 5016 1 10 . 1 1 86 86 ILE N N 86 121.645 121.645 123.695 -2.050 19562 5017 1 10 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.161 0.125 19562 5018 1 10 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.472 -2.310 19562 5019 1 10 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.998 1.544 19562 5020 1 10 . 1 1 86 86 ILE H H 86 8.021 8.021 8.204 -0.183 19562 5021 1 10 . 1 1 87 87 PHE N N 87 123.890 123.890 130.168 -6.278 19562 5022 1 10 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.563 0.063 19562 5023 1 10 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.194 0.750 19562 5024 1 10 . 1 1 87 87 PHE CB C 87 42.003 42.003 40.628 1.375 19562 5025 1 10 . 1 1 87 87 PHE H H 87 8.476 8.476 8.606 -0.130 19562 5026 1 10 . 1 1 88 88 ALA N N 88 124.824 124.824 129.041 -4.217 19562 5027 1 10 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.963 1.318 19562 5028 1 10 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.749 0.455 19562 5029 1 10 . 1 1 88 88 ALA CB C 88 22.335 22.335 20.951 1.384 19562 5030 1 10 . 1 1 88 88 ALA H H 88 9.149 9.149 8.011 1.138 19562 5031 1 10 . 1 1 89 89 PHE N N 89 118.047 118.047 118.320 -0.273 19562 5032 1 10 . 1 1 89 89 PHE HA H 89 5.445 5.445 5.019 0.426 19562 5033 1 10 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.849 -0.144 19562 5034 1 10 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.823 0.673 19562 5035 1 10 . 1 1 89 89 PHE H H 89 9.423 9.423 8.972 0.451 19562 5036 1 10 . 1 1 90 90 LYS N N 90 122.937 122.937 124.855 -1.918 19562 5037 1 10 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.553 0.952 19562 5038 1 10 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.264 -1.436 19562 5039 1 10 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.705 2.308 19562 5040 1 10 . 1 1 90 90 LYS H H 90 9.943 9.943 9.034 0.909 19562 5041 1 10 . 1 1 91 91 CYS N N 91 126.115 126.115 123.576 2.539 19562 5042 1 10 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.622 0.131 19562 5043 1 10 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.056 1.119 19562 5044 1 10 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.544 -0.735 19562 5045 1 10 . 1 1 91 91 CYS H H 91 9.689 9.689 8.456 1.233 19562 5046 1 10 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.174 0.257 19562 5047 1 10 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.093 0.617 19562 5048 1 10 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.530 -0.667 19562 5049 1 10 . 1 1 93 93 ARG N N 93 117.248 117.248 118.533 -1.285 19562 5050 1 10 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.292 0.720 19562 5051 1 10 . 1 1 93 93 ARG CA C 93 53.957 53.957 52.936 1.021 19562 5052 1 10 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.811 2.992 19562 5053 1 10 . 1 1 93 93 ARG H H 93 7.964 7.964 7.562 0.402 19562 5054 1 10 . 1 1 94 94 ALA N N 94 122.369 122.369 124.291 -1.922 19562 5055 1 10 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.981 -0.458 19562 5056 1 10 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.513 -0.542 19562 5057 1 10 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.829 -0.733 19562 5058 1 10 . 1 1 94 94 ALA H H 94 7.310 7.310 8.162 -0.852 19562 5059 1 10 . 1 1 95 95 GLU N N 95 116.205 116.205 118.245 -2.040 19562 5060 1 10 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.934 -0.454 19562 5061 1 10 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.236 -0.541 19562 5062 1 10 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.676 1.385 19562 5063 1 10 . 1 1 95 95 GLU H H 95 8.376 8.376 8.581 -0.205 19562 5064 1 10 . 1 1 96 96 GLU N N 96 119.188 119.188 120.524 -1.336 19562 5065 1 10 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.016 -0.049 19562 5066 1 10 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.470 0.430 19562 5067 1 10 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.082 0.948 19562 5068 1 10 . 1 1 96 96 GLU H H 96 7.418 7.418 7.852 -0.434 19562 5069 1 10 . 1 1 97 97 LEU N N 97 123.654 123.654 120.628 3.026 19562 5070 1 10 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.104 -1.090 19562 5071 1 10 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.414 0.305 19562 5072 1 10 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.870 -0.856 19562 5073 1 10 . 1 1 97 97 LEU H H 97 7.847 7.847 8.545 -0.698 19562 5074 1 10 . 1 1 98 98 PHE N N 98 118.746 118.746 119.611 -0.865 19562 5075 1 10 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.326 -0.533 19562 5076 1 10 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.581 0.115 19562 5077 1 10 . 1 1 98 98 PHE H H 98 8.076 8.076 9.198 -1.122 19562 5078 1 10 . 1 1 99 99 ASN N N 99 117.017 117.017 118.336 -1.319 19562 5079 1 10 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.218 0.002 19562 5080 1 10 . 1 1 99 99 ASN CA C 99 55.466 55.466 56.308 -0.842 19562 5081 1 10 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.512 -1.231 19562 5082 1 10 . 1 1 99 99 ASN H H 99 8.622 8.622 8.438 0.184 19562 5083 1 10 . 1 1 100 100 MET N N 100 121.914 121.914 119.856 2.058 19562 5084 1 10 . 1 1 100 100 MET HA H 100 4.061 4.061 3.993 0.068 19562 5085 1 10 . 1 1 100 100 MET CA C 100 58.699 58.699 59.205 -0.506 19562 5086 1 10 . 1 1 100 100 MET CB C 100 32.048 32.048 32.593 -0.545 19562 5087 1 10 . 1 1 100 100 MET H H 100 8.316 8.316 8.463 -0.147 19562 5088 1 10 . 1 1 101 101 LEU N N 101 121.094 121.094 120.545 0.549 19562 5089 1 10 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.072 -0.492 19562 5090 1 10 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.125 -0.699 19562 5091 1 10 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.383 -0.283 19562 5092 1 10 . 1 1 101 101 LEU H H 101 8.047 8.047 8.763 -0.716 19562 5093 1 10 . 1 1 102 102 GLN N N 102 116.417 116.417 117.237 -0.820 19562 5094 1 10 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.081 -0.167 19562 5095 1 10 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.844 -0.398 19562 5096 1 10 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.241 0.446 19562 5097 1 10 . 1 1 102 102 GLN H H 102 8.195 8.195 8.476 -0.281 19562 5098 1 10 . 1 1 103 103 GLU N N 103 119.096 119.096 120.199 -1.103 19562 5099 1 10 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.079 -0.171 19562 5100 1 10 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.992 -0.075 19562 5101 1 10 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.450 -0.389 19562 5102 1 10 . 1 1 103 103 GLU H H 103 7.635 7.635 8.429 -0.794 19562 5103 1 10 . 1 1 104 104 ILE N N 104 120.803 120.803 121.552 -0.749 19562 5104 1 10 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.608 -0.007 19562 5105 1 10 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.544 -0.834 19562 5106 1 10 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.840 0.209 19562 5107 1 10 . 1 1 104 104 ILE H H 104 7.965 7.965 8.814 -0.849 19562 5108 1 10 . 1 1 105 105 MET N N 105 117.016 117.016 118.158 -1.142 19562 5109 1 10 . 1 1 105 105 MET HA H 105 4.020 4.020 4.180 -0.160 19562 5110 1 10 . 1 1 105 105 MET CA C 105 57.384 57.384 59.535 -2.151 19562 5111 1 10 . 1 1 105 105 MET H H 105 8.145 8.145 8.468 -0.323 19562 5112 1 10 . 1 1 106 106 GLN N N 106 116.150 116.150 117.372 -1.222 19562 5113 1 10 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.133 0.070 19562 5114 1 10 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.452 -1.811 19562 5115 1 10 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.648 -0.535 19562 5116 1 10 . 1 1 106 106 GLN H H 106 7.930 7.930 7.987 -0.057 19562 5117 1 10 . 1 1 107 107 ASN N N 107 117.360 117.360 115.011 2.349 19562 5118 1 10 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.736 -0.016 19562 5119 1 10 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.864 -1.367 19562 5120 1 10 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.381 -0.822 19562 5121 1 10 . 1 1 107 107 ASN H H 107 7.872 7.872 8.390 -0.518 19562 5122 1 10 . 1 1 108 108 ASN N N 108 118.611 118.611 117.946 0.665 19562 5123 1 10 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.835 -0.075 19562 5124 1 10 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.393 -1.693 19562 5125 1 10 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.337 -1.819 19562 5126 1 10 . 1 1 108 108 ASN H H 108 8.144 8.144 8.307 -0.163 19562 5127 1 10 . 1 1 109 109 SER N N 109 115.704 115.704 112.537 3.167 19562 5128 1 10 . 1 1 109 109 SER HA H 109 4.519 4.519 4.118 0.401 19562 5129 1 10 . 1 1 109 109 SER CA C 109 57.700 57.700 60.806 -3.107 19562 5130 1 10 . 1 1 109 109 SER CB C 109 63.150 63.150 62.955 0.196 19562 5131 1 10 . 1 1 109 109 SER H H 109 8.215 8.215 8.121 0.094 19562 5132 1 10 . 1 1 110 110 ILE N N 110 121.954 121.954 119.742 2.212 19562 5133 1 10 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.649 0.563 19562 5134 1 10 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.343 -1.457 19562 5135 1 10 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.098 2.137 19562 5136 1 10 . 1 1 110 110 ILE H H 110 8.061 8.061 7.898 0.163 19562 5137 1 10 . 1 1 111 111 ASN N N 111 122.386 122.386 122.565 -0.179 19562 5138 1 10 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.018 -0.236 19562 5139 1 10 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.408 0.326 19562 5140 1 10 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.102 -2.303 19562 5141 1 10 . 1 1 111 111 ASN H H 111 8.376 8.376 8.670 -0.294 19562 5142 1 10 . 1 1 112 112 VAL N N 112 120.830 120.830 123.916 -3.086 19562 5143 1 10 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.262 -0.077 19562 5144 1 10 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.572 -0.912 19562 5145 1 10 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.015 0.315 19562 5146 1 10 . 1 1 112 112 VAL H H 112 8.067 8.067 8.303 -0.236 19562 5147 1 10 . 1 1 113 113 VAL N N 113 124.249 124.249 121.411 2.838 19562 5148 1 10 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.737 0.378 19562 5149 1 10 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.397 -1.947 19562 5150 1 10 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.471 -0.126 19562 5151 1 10 . 1 1 113 113 VAL H H 113 8.167 8.167 7.911 0.256 19562 5152 1 10 . 1 1 114 114 GLU N N 114 125.288 125.288 118.862 6.426 19562 5153 1 10 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.057 0.252 19562 5154 1 10 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.118 -1.428 19562 5155 1 10 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.850 1.200 19562 5156 1 10 . 1 1 114 114 GLU H H 114 8.405 8.405 8.329 0.076 19562 5157 1 10 . 1 1 115 115 GLU N N 115 123.990 123.990 120.284 3.706 19562 5158 1 10 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.385 0.178 19562 5159 1 10 . 1 1 115 115 GLU CA C 115 53.725 53.725 55.245 -1.520 19562 5160 1 10 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.932 -0.497 19562 5161 1 10 . 1 1 115 115 GLU H H 115 8.392 8.392 8.132 0.260 19562 5162 1 10 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.225 0.205 19562 5163 1 10 . 1 1 116 116 PRO CA C 116 62.670 62.670 64.331 -1.661 19562 5164 1 10 . 1 1 116 116 PRO CB C 116 31.655 31.655 31.866 -0.211 19562 5165 1 10 . 1 1 117 117 VAL N N 117 121.339 121.339 115.532 5.807 19562 5166 1 10 . 1 1 117 117 VAL HA H 117 4.076 4.076 4.298 -0.222 19562 5167 1 10 . 1 1 117 117 VAL CA C 117 61.990 61.990 60.375 1.615 19562 5168 1 10 . 1 1 117 117 VAL CB C 117 31.820 31.820 33.901 -2.080 19562 5169 1 10 . 1 1 117 117 VAL H H 117 8.266 8.266 7.660 0.606 19562 5170 1 10 . 1 1 118 118 VAL N N 118 124.762 124.762 126.950 -2.188 19562 5171 1 10 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.845 0.271 19562 5172 1 10 . 1 1 118 118 VAL H H 118 8.202 8.202 8.375 -0.173 19562 5173 1 10 . 1 1 119 119 GLU N N 119 125.304 125.304 126.883 -1.579 19562 5174 1 10 . 1 1 119 119 GLU H H 119 8.479 8.479 9.072 -0.593 19562 5175 1 10 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.014 0.381 19562 5176 1 10 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.615 -1.265 19562 5177 1 10 . 1 1 120 120 ARG CB C 120 30.565 30.565 28.795 1.770 19562 5178 1 10 . 1 1 121 121 ASN N N 121 120.465 120.465 119.877 0.588 19562 5179 1 10 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.639 0.115 19562 5180 1 10 . 1 1 121 121 ASN H H 121 8.536 8.536 8.597 -0.061 19562 5181 1 11 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.228 0.391 19562 5182 1 11 . 1 1 9 9 HIS CA C 9 56.148 56.148 57.054 -0.906 19562 5183 1 11 . 1 1 9 9 HIS CB C 9 29.609 29.609 28.736 0.873 19562 5184 1 11 . 1 1 10 10 MET N N 10 120.964 120.964 122.885 -1.921 19562 5185 1 11 . 1 1 10 10 MET HA H 10 4.395 4.395 4.384 0.011 19562 5186 1 11 . 1 1 10 10 MET CA C 10 55.153 55.153 56.891 -1.738 19562 5187 1 11 . 1 1 10 10 MET CB C 10 32.293 32.293 33.644 -1.351 19562 5188 1 11 . 1 1 10 10 MET H H 10 8.274 8.274 7.937 0.337 19562 5189 1 11 . 1 1 11 11 ASP N N 11 120.989 120.989 116.644 4.345 19562 5190 1 11 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.621 0.125 19562 5191 1 11 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.962 0.238 19562 5192 1 11 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.451 -1.251 19562 5193 1 11 . 1 1 11 11 ASP H H 11 8.281 8.281 8.121 0.160 19562 5194 1 11 . 1 1 12 12 THR N N 12 113.244 113.244 114.506 -1.262 19562 5195 1 11 . 1 1 12 12 THR HA H 12 4.312 4.312 4.318 -0.006 19562 5196 1 11 . 1 1 12 12 THR CA C 12 61.218 61.218 61.931 -0.713 19562 5197 1 11 . 1 1 12 12 THR CB C 12 69.316 69.316 67.404 1.912 19562 5198 1 11 . 1 1 12 12 THR H H 12 7.979 7.979 8.051 -0.072 19562 5199 1 11 . 1 1 13 13 VAL N N 13 123.579 123.579 123.723 -0.144 19562 5200 1 11 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.357 0.047 19562 5201 1 11 . 1 1 13 13 VAL CA C 13 59.234 59.234 59.281 -0.046 19562 5202 1 11 . 1 1 13 13 VAL CB C 13 32.299 32.299 33.702 -1.403 19562 5203 1 11 . 1 1 13 13 VAL H H 13 8.021 8.021 7.746 0.275 19562 5204 1 11 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.454 -0.027 19562 5205 1 11 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.622 0.278 19562 5206 1 11 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.365 -0.576 19562 5207 1 11 . 1 1 15 15 ASP N N 15 120.556 120.556 123.339 -2.783 19562 5208 1 11 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.322 0.130 19562 5209 1 11 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.307 -0.886 19562 5210 1 11 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.504 0.054 19562 5211 1 11 . 1 1 15 15 ASP H H 15 8.471 8.471 8.480 -0.009 19562 5212 1 11 . 1 1 16 16 ASN N N 16 116.991 116.991 118.866 -1.875 19562 5213 1 11 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.311 0.293 19562 5214 1 11 . 1 1 16 16 ASN CA C 16 52.282 52.282 54.166 -1.884 19562 5215 1 11 . 1 1 16 16 ASN CB C 16 37.731 37.731 37.489 0.242 19562 5216 1 11 . 1 1 16 16 ASN H H 16 8.111 8.111 8.620 -0.509 19562 5217 1 11 . 1 1 17 17 HIS N N 17 119.335 119.335 115.944 3.391 19562 5218 1 11 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.521 -0.109 19562 5219 1 11 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.507 0.929 19562 5220 1 11 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.469 -0.460 19562 5221 1 11 . 1 1 17 17 HIS H H 17 8.014 8.014 7.873 0.141 19562 5222 1 11 . 1 1 18 18 ARG N N 18 122.269 122.269 119.653 2.616 19562 5223 1 11 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.902 0.081 19562 5224 1 11 . 1 1 18 18 ARG CA C 18 57.419 57.419 59.288 -1.869 19562 5225 1 11 . 1 1 18 18 ARG CB C 18 29.781 29.781 29.826 -0.045 19562 5226 1 11 . 1 1 18 18 ARG H H 18 8.209 8.209 8.788 -0.579 19562 5227 1 11 . 1 1 19 19 ASN N N 19 114.495 114.495 116.137 -1.642 19562 5228 1 11 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.296 0.419 19562 5229 1 11 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.375 -0.652 19562 5230 1 11 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.928 -0.894 19562 5231 1 11 . 1 1 19 19 ASN H H 19 8.565 8.565 7.589 0.976 19562 5232 1 11 . 1 1 20 20 LYS N N 20 117.932 117.932 120.047 -2.115 19562 5233 1 11 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.372 0.885 19562 5234 1 11 . 1 1 20 20 LYS CA C 20 54.736 54.736 54.512 0.224 19562 5235 1 11 . 1 1 20 20 LYS CB C 20 35.015 35.015 33.300 1.715 19562 5236 1 11 . 1 1 20 20 LYS H H 20 7.040 7.040 6.962 0.078 19562 5237 1 11 . 1 1 21 21 PHE N N 21 120.620 120.620 123.698 -3.078 19562 5238 1 11 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.629 -0.120 19562 5239 1 11 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.663 1.258 19562 5240 1 11 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.976 0.222 19562 5241 1 11 . 1 1 21 21 PHE H H 21 9.389 9.389 8.112 1.277 19562 5242 1 11 . 1 1 22 22 LYS N N 22 125.637 125.637 126.905 -1.268 19562 5243 1 11 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.537 0.200 19562 5244 1 11 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.607 1.365 19562 5245 1 11 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.264 0.042 19562 5246 1 11 . 1 1 22 22 LYS H H 22 9.258 9.258 8.956 0.302 19562 5247 1 11 . 1 1 23 23 VAL N N 23 118.282 118.282 119.118 -0.836 19562 5248 1 11 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.420 1.207 19562 5249 1 11 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.483 -1.098 19562 5250 1 11 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.910 2.606 19562 5251 1 11 . 1 1 23 23 VAL H H 23 8.672 8.672 7.956 0.716 19562 5252 1 11 . 1 1 24 24 ILE N N 24 120.397 120.397 118.730 1.667 19562 5253 1 11 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.547 0.266 19562 5254 1 11 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.709 0.452 19562 5255 1 11 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.911 2.157 19562 5256 1 11 . 1 1 24 24 ILE H H 24 8.824 8.824 8.184 0.640 19562 5257 1 11 . 1 1 25 25 ASN N N 25 127.655 127.655 127.130 0.525 19562 5258 1 11 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.804 -0.303 19562 5259 1 11 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.764 0.437 19562 5260 1 11 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.822 0.698 19562 5261 1 11 . 1 1 25 25 ASN H H 25 9.232 9.232 8.531 0.701 19562 5262 1 11 . 1 1 26 26 VAL N N 26 116.322 116.322 118.222 -1.900 19562 5263 1 11 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.285 0.257 19562 5264 1 11 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.673 -1.901 19562 5265 1 11 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.876 0.395 19562 5266 1 11 . 1 1 26 26 VAL H H 26 7.680 7.680 7.433 0.247 19562 5267 1 11 . 1 1 27 27 ASP N N 27 117.000 117.000 124.945 -7.945 19562 5268 1 11 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.924 -0.831 19562 5269 1 11 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.127 -2.165 19562 5270 1 11 . 1 1 27 27 ASP H H 27 7.500 7.500 7.971 -0.471 19562 5271 1 11 . 1 1 28 28 ASP N N 28 112.540 112.540 124.864 -12.324 19562 5272 1 11 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.316 -0.145 19562 5273 1 11 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.088 0.210 19562 5274 1 11 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.902 -0.818 19562 5275 1 11 . 1 1 28 28 ASP H H 28 7.922 7.922 8.951 -1.029 19562 5276 1 11 . 1 1 29 29 ASP N N 29 115.319 115.319 116.510 -1.191 19562 5277 1 11 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.648 0.097 19562 5278 1 11 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.940 -0.489 19562 5279 1 11 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.348 0.656 19562 5280 1 11 . 1 1 29 29 ASP H H 29 7.809 7.809 7.979 -0.170 19562 5281 1 11 . 1 1 30 30 GLY N N 30 108.887 108.887 108.671 0.216 19562 5282 1 11 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.324 -0.835 19562 5283 1 11 . 1 1 30 30 GLY H H 30 8.196 8.196 8.233 -0.037 19562 5284 1 11 . 1 1 31 31 ASN N N 31 119.906 119.906 118.676 1.230 19562 5285 1 11 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.740 -0.257 19562 5286 1 11 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.047 1.154 19562 5287 1 11 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.129 -1.518 19562 5288 1 11 . 1 1 31 31 ASN H H 31 8.643 8.643 8.051 0.592 19562 5289 1 11 . 1 1 32 32 GLU N N 32 119.114 119.114 125.781 -6.667 19562 5290 1 11 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.253 -0.354 19562 5291 1 11 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.463 -0.002 19562 5292 1 11 . 1 1 32 32 GLU H H 32 8.525 8.525 8.899 -0.374 19562 5293 1 11 . 1 1 33 33 LEU N N 33 126.117 126.117 123.615 2.502 19562 5294 1 11 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.413 0.196 19562 5295 1 11 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.005 -1.080 19562 5296 1 11 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.307 -0.551 19562 5297 1 11 . 1 1 33 33 LEU H H 33 8.817 8.817 8.521 0.296 19562 5298 1 11 . 1 1 34 34 GLY N N 34 108.970 108.970 105.402 3.568 19562 5299 1 11 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.373 0.616 19562 5300 1 11 . 1 1 34 34 GLY H H 34 8.228 8.228 7.807 0.421 19562 5301 1 11 . 1 1 35 35 SER N N 35 118.388 118.388 117.258 1.130 19562 5302 1 11 . 1 1 35 35 SER HA H 35 5.465 5.465 4.452 1.013 19562 5303 1 11 . 1 1 35 35 SER CA C 35 57.205 57.205 58.297 -1.093 19562 5304 1 11 . 1 1 35 35 SER CB C 35 65.393 65.393 63.715 1.678 19562 5305 1 11 . 1 1 35 35 SER H H 35 8.776 8.776 8.317 0.459 19562 5306 1 11 . 1 1 36 36 GLY N N 36 109.081 109.081 110.191 -1.110 19562 5307 1 11 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.307 2.178 19562 5308 1 11 . 1 1 36 36 GLY H H 36 9.013 9.013 7.613 1.400 19562 5309 1 11 . 1 1 37 37 ILE N N 37 121.560 121.560 118.995 2.565 19562 5310 1 11 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.770 0.334 19562 5311 1 11 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.370 -1.248 19562 5312 1 11 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.433 -0.968 19562 5313 1 11 . 1 1 37 37 ILE H H 37 8.779 8.779 8.514 0.265 19562 5314 1 11 . 1 1 38 38 MET N N 38 128.553 128.553 122.941 5.612 19562 5315 1 11 . 1 1 38 38 MET HA H 38 5.735 5.735 4.914 0.821 19562 5316 1 11 . 1 1 38 38 MET CA C 38 53.008 53.008 53.616 -0.608 19562 5317 1 11 . 1 1 38 38 MET CB C 38 36.446 36.446 34.530 1.916 19562 5318 1 11 . 1 1 38 38 MET H H 38 9.827 9.827 9.389 0.438 19562 5319 1 11 . 1 1 39 39 GLU N N 39 129.378 129.378 128.350 1.028 19562 5320 1 11 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.507 0.993 19562 5321 1 11 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.495 -2.040 19562 5322 1 11 . 1 1 39 39 GLU CB C 39 34.536 34.536 30.497 4.039 19562 5323 1 11 . 1 1 39 39 GLU H H 39 10.160 10.160 9.048 1.112 19562 5324 1 11 . 1 1 40 40 LEU N N 40 127.174 127.174 129.548 -2.374 19562 5325 1 11 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.552 0.526 19562 5326 1 11 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.741 -0.301 19562 5327 1 11 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.904 0.109 19562 5328 1 11 . 1 1 40 40 LEU H H 40 8.334 8.334 8.139 0.195 19562 5329 1 11 . 1 1 41 41 THR N N 41 115.971 115.971 116.473 -0.502 19562 5330 1 11 . 1 1 41 41 THR HA H 41 5.012 5.012 4.826 0.186 19562 5331 1 11 . 1 1 41 41 THR CA C 41 59.113 59.113 59.573 -0.460 19562 5332 1 11 . 1 1 41 41 THR CB C 41 69.295 69.295 70.763 -1.468 19562 5333 1 11 . 1 1 41 41 THR H H 41 8.682 8.682 7.993 0.689 19562 5334 1 11 . 1 1 42 42 ASP N N 42 117.467 117.467 118.060 -0.593 19562 5335 1 11 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.203 0.412 19562 5336 1 11 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.508 -0.816 19562 5337 1 11 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.555 -0.764 19562 5338 1 11 . 1 1 42 42 ASP H H 42 8.794 8.794 8.593 0.201 19562 5339 1 11 . 1 1 43 43 THR N N 43 104.010 104.010 106.256 -2.246 19562 5340 1 11 . 1 1 43 43 THR HA H 43 4.412 4.412 3.518 0.894 19562 5341 1 11 . 1 1 43 43 THR CA C 43 61.601 61.601 61.384 0.217 19562 5342 1 11 . 1 1 43 43 THR CB C 43 71.362 71.362 70.713 0.649 19562 5343 1 11 . 1 1 43 43 THR H H 43 7.763 7.763 7.342 0.421 19562 5344 1 11 . 1 1 44 44 GLU N N 44 118.980 118.980 121.816 -2.836 19562 5345 1 11 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.049 -0.879 19562 5346 1 11 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.821 -0.881 19562 5347 1 11 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.324 0.163 19562 5348 1 11 . 1 1 44 44 GLU H H 44 7.263 7.263 7.693 -0.430 19562 5349 1 11 . 1 1 45 45 LEU N N 45 122.138 122.138 127.899 -5.761 19562 5350 1 11 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.886 0.086 19562 5351 1 11 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.585 -0.864 19562 5352 1 11 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.562 1.676 19562 5353 1 11 . 1 1 45 45 LEU H H 45 8.314 8.314 9.330 -1.016 19562 5354 1 11 . 1 1 46 46 ILE N N 46 124.244 124.244 126.643 -2.399 19562 5355 1 11 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.522 0.202 19562 5356 1 11 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.812 1.498 19562 5357 1 11 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.208 4.282 19562 5358 1 11 . 1 1 46 46 ILE H H 46 9.154 9.154 8.992 0.162 19562 5359 1 11 . 1 1 47 47 LEU N N 47 127.510 127.510 131.531 -4.021 19562 5360 1 11 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.922 0.344 19562 5361 1 11 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.192 -1.486 19562 5362 1 11 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.791 2.945 19562 5363 1 11 . 1 1 47 47 LEU H H 47 9.378 9.378 8.511 0.867 19562 5364 1 11 . 1 1 48 48 TYR N N 48 128.014 128.014 127.418 0.596 19562 5365 1 11 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.686 0.348 19562 5366 1 11 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.692 -0.255 19562 5367 1 11 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.879 1.912 19562 5368 1 11 . 1 1 48 48 TYR H H 48 9.724 9.724 8.798 0.926 19562 5369 1 11 . 1 1 49 49 THR N N 49 115.097 115.097 116.399 -1.302 19562 5370 1 11 . 1 1 49 49 THR HA H 49 4.813 4.813 4.500 0.313 19562 5371 1 11 . 1 1 49 49 THR CA C 49 60.349 60.349 61.318 -0.969 19562 5372 1 11 . 1 1 49 49 THR CB C 49 70.967 70.967 70.313 0.654 19562 5373 1 11 . 1 1 49 49 THR H H 49 8.659 8.659 7.908 0.751 19562 5374 1 11 . 1 1 50 50 ARG N N 50 120.411 120.411 120.767 -0.356 19562 5375 1 11 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.207 -0.008 19562 5376 1 11 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.977 -1.530 19562 5377 1 11 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.615 -0.841 19562 5378 1 11 . 1 1 50 50 ARG H H 50 8.649 8.649 8.781 -0.132 19562 5379 1 11 . 1 1 51 51 LYS N N 51 117.579 117.579 116.012 1.567 19562 5380 1 11 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.484 -0.321 19562 5381 1 11 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.550 0.128 19562 5382 1 11 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.784 -1.427 19562 5383 1 11 . 1 1 51 51 LYS H H 51 8.406 8.406 8.210 0.196 19562 5384 1 11 . 1 1 52 52 ARG N N 52 116.662 116.662 121.433 -4.771 19562 5385 1 11 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.290 0.152 19562 5386 1 11 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.489 -1.184 19562 5387 1 11 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.814 0.936 19562 5388 1 11 . 1 1 52 52 ARG H H 52 7.973 7.973 7.994 -0.021 19562 5389 1 11 . 1 1 53 53 ASP N N 53 119.760 119.760 115.236 4.524 19562 5390 1 11 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.373 0.387 19562 5391 1 11 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.976 -1.085 19562 5392 1 11 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.468 -0.461 19562 5393 1 11 . 1 1 53 53 ASP H H 53 8.066 8.066 7.751 0.315 19562 5394 1 11 . 1 1 54 54 SER N N 54 116.756 116.756 114.756 2.000 19562 5395 1 11 . 1 1 54 54 SER HA H 54 4.891 4.891 4.375 0.516 19562 5396 1 11 . 1 1 54 54 SER CA C 54 57.072 57.072 59.198 -2.126 19562 5397 1 11 . 1 1 54 54 SER CB C 54 64.473 64.473 61.748 2.725 19562 5398 1 11 . 1 1 54 54 SER H H 54 8.477 8.477 8.300 0.177 19562 5399 1 11 . 1 1 55 55 VAL N N 55 122.716 122.716 124.720 -2.004 19562 5400 1 11 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.879 0.069 19562 5401 1 11 . 1 1 55 55 VAL CA C 55 60.456 60.456 62.974 -2.518 19562 5402 1 11 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.919 0.619 19562 5403 1 11 . 1 1 55 55 VAL H H 55 8.334 8.334 8.905 -0.571 19562 5404 1 11 . 1 1 56 56 LYS N N 56 121.568 121.568 120.729 0.839 19562 5405 1 11 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.900 0.371 19562 5406 1 11 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.821 -1.130 19562 5407 1 11 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.736 1.067 19562 5408 1 11 . 1 1 56 56 LYS H H 56 7.501 7.501 7.896 -0.395 19562 5409 1 11 . 1 1 57 57 TRP N N 57 123.638 123.638 124.116 -0.478 19562 5410 1 11 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.809 -0.144 19562 5411 1 11 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.165 1.597 19562 5412 1 11 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.709 0.841 19562 5413 1 11 . 1 1 57 57 TRP H H 57 9.453 9.453 9.054 0.399 19562 5414 1 11 . 1 1 58 58 HIS N N 58 125.312 125.312 126.368 -1.056 19562 5415 1 11 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.132 -0.593 19562 5416 1 11 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.244 -0.060 19562 5417 1 11 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.364 -1.039 19562 5418 1 11 . 1 1 58 58 HIS H H 58 9.024 9.024 8.933 0.091 19562 5419 1 11 . 1 1 59 59 TYR N N 59 126.691 126.691 125.810 0.881 19562 5420 1 11 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.218 0.134 19562 5421 1 11 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.801 -0.102 19562 5422 1 11 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.133 -1.606 19562 5423 1 11 . 1 1 59 59 TYR H H 59 8.079 8.079 8.912 -0.833 19562 5424 1 11 . 1 1 60 60 LEU N N 60 114.859 114.859 118.425 -3.566 19562 5425 1 11 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.382 -0.145 19562 5426 1 11 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.462 0.637 19562 5427 1 11 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.189 0.365 19562 5428 1 11 . 1 1 60 60 LEU H H 60 9.307 9.307 8.129 1.178 19562 5429 1 11 . 1 1 61 61 CYS N N 61 114.415 114.415 115.990 -1.575 19562 5430 1 11 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.561 0.685 19562 5431 1 11 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.405 -0.972 19562 5432 1 11 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.520 -2.454 19562 5433 1 11 . 1 1 61 61 CYS H H 61 8.421 8.421 7.714 0.707 19562 5434 1 11 . 1 1 62 62 LEU N N 62 122.413 122.413 123.254 -0.841 19562 5435 1 11 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.185 0.562 19562 5436 1 11 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.852 -1.414 19562 5437 1 11 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.143 0.896 19562 5438 1 11 . 1 1 62 62 LEU H H 62 7.702 7.702 7.405 0.297 19562 5439 1 11 . 1 1 63 63 ARG N N 63 122.839 122.839 121.854 0.985 19562 5440 1 11 . 1 1 63 63 ARG H H 63 9.301 9.301 8.850 0.451 19562 5441 1 11 . 1 1 64 64 ARG N N 64 111.512 111.512 117.573 -6.061 19562 5442 1 11 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.691 0.795 19562 5443 1 11 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.258 -1.613 19562 5444 1 11 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.936 3.069 19562 5445 1 11 . 1 1 64 64 ARG H H 64 7.457 7.457 7.638 -0.181 19562 5446 1 11 . 1 1 65 65 TYR N N 65 115.127 115.127 120.052 -4.925 19562 5447 1 11 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.159 0.381 19562 5448 1 11 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.221 0.968 19562 5449 1 11 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.815 -1.301 19562 5450 1 11 . 1 1 65 65 TYR H H 65 8.340 8.340 8.452 -0.112 19562 5451 1 11 . 1 1 66 66 GLY N N 66 104.938 104.938 108.679 -3.741 19562 5452 1 11 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.603 2.297 19562 5453 1 11 . 1 1 66 66 GLY H H 66 8.950 8.950 8.670 0.280 19562 5454 1 11 . 1 1 67 67 TYR N N 67 117.143 117.143 120.003 -2.860 19562 5455 1 11 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.502 0.060 19562 5456 1 11 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.097 -1.612 19562 5457 1 11 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.265 2.082 19562 5458 1 11 . 1 1 67 67 TYR H H 67 8.022 8.022 7.965 0.057 19562 5459 1 11 . 1 1 68 68 ASP N N 68 119.290 119.290 128.520 -9.230 19562 5460 1 11 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.044 -0.214 19562 5461 1 11 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.157 2.285 19562 5462 1 11 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.132 3.884 19562 5463 1 11 . 1 1 68 68 ASP H H 68 8.656 8.656 8.994 -0.338 19562 5464 1 11 . 1 1 69 69 SER N N 69 119.561 119.561 121.159 -1.598 19562 5465 1 11 . 1 1 69 69 SER HA H 69 4.040 4.040 4.104 -0.064 19562 5466 1 11 . 1 1 69 69 SER CB C 69 59.170 59.170 61.999 -2.829 19562 5467 1 11 . 1 1 69 69 SER H H 69 8.957 8.957 8.558 0.399 19562 5468 1 11 . 1 1 70 70 ASN N N 70 119.438 119.438 111.569 7.869 19562 5469 1 11 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.495 0.637 19562 5470 1 11 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.256 -2.268 19562 5471 1 11 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.498 -0.220 19562 5472 1 11 . 1 1 70 70 ASN H H 70 8.502 8.502 8.824 -0.322 19562 5473 1 11 . 1 1 71 71 LEU N N 71 120.481 120.481 119.163 1.318 19562 5474 1 11 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.800 0.765 19562 5475 1 11 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.804 -0.353 19562 5476 1 11 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.765 1.971 19562 5477 1 11 . 1 1 71 71 LEU H H 71 8.807 8.807 7.186 1.621 19562 5478 1 11 . 1 1 72 72 PHE N N 72 120.815 120.815 127.288 -6.473 19562 5479 1 11 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.411 0.116 19562 5480 1 11 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.454 -0.270 19562 5481 1 11 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.691 1.172 19562 5482 1 11 . 1 1 72 72 PHE H H 72 9.439 9.439 9.734 -0.295 19562 5483 1 11 . 1 1 73 73 SER N N 73 120.270 120.270 118.675 1.595 19562 5484 1 11 . 1 1 73 73 SER HA H 73 5.387 5.387 4.544 0.843 19562 5485 1 11 . 1 1 73 73 SER CA C 73 54.994 54.994 55.129 -0.135 19562 5486 1 11 . 1 1 73 73 SER CB C 73 66.409 66.409 65.831 0.578 19562 5487 1 11 . 1 1 73 73 SER H H 73 8.597 8.597 8.181 0.416 19562 5488 1 11 . 1 1 74 74 PHE N N 74 117.157 117.157 116.492 0.665 19562 5489 1 11 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.347 -0.086 19562 5490 1 11 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.839 -0.140 19562 5491 1 11 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.375 0.528 19562 5492 1 11 . 1 1 74 74 PHE H H 74 8.050 8.050 8.612 -0.562 19562 5493 1 11 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.867 0.869 19562 5494 1 11 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.855 -3.146 19562 5495 1 11 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.824 0.996 19562 5496 1 11 . 1 1 76 76 SER N N 76 123.656 123.656 123.232 0.424 19562 5497 1 11 . 1 1 76 76 SER HA H 76 5.243 5.243 5.196 0.047 19562 5498 1 11 . 1 1 76 76 SER CA C 76 56.906 56.906 56.936 -0.030 19562 5499 1 11 . 1 1 76 76 SER CB C 76 67.886 67.886 64.089 3.797 19562 5500 1 11 . 1 1 76 76 SER H H 76 9.930 9.930 9.092 0.838 19562 5501 1 11 . 1 1 77 77 GLY N N 77 105.906 105.906 112.508 -6.602 19562 5502 1 11 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.768 -0.768 19562 5503 1 11 . 1 1 77 77 GLY H H 77 8.939 8.939 9.098 -0.159 19562 5504 1 11 . 1 1 78 78 ARG N N 78 114.676 114.676 119.737 -5.061 19562 5505 1 11 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.624 -0.607 19562 5506 1 11 . 1 1 78 78 ARG H H 78 9.680 9.680 7.799 1.881 19562 5507 1 11 . 1 1 79 79 ARG N N 79 121.801 121.801 120.838 0.963 19562 5508 1 11 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.219 0.354 19562 5509 1 11 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.758 -2.830 19562 5510 1 11 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.518 -3.448 19562 5511 1 11 . 1 1 79 79 ARG H H 79 9.389 9.389 8.611 0.778 19562 5512 1 11 . 1 1 80 80 CYS N N 80 113.901 113.901 118.108 -4.207 19562 5513 1 11 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.660 0.228 19562 5514 1 11 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.314 -1.349 19562 5515 1 11 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.049 -1.451 19562 5516 1 11 . 1 1 80 80 CYS H H 80 7.994 7.994 8.330 -0.336 19562 5517 1 11 . 1 1 81 81 GLN N N 81 122.839 122.839 122.264 0.575 19562 5518 1 11 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.980 0.116 19562 5519 1 11 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.654 0.285 19562 5520 1 11 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.950 -0.610 19562 5521 1 11 . 1 1 81 81 GLN H H 81 8.950 8.950 8.745 0.204 19562 5522 1 11 . 1 1 82 82 THR N N 82 107.297 107.297 109.118 -1.821 19562 5523 1 11 . 1 1 82 82 THR HA H 82 4.207 4.207 4.361 -0.154 19562 5524 1 11 . 1 1 82 82 THR CA C 82 63.147 63.147 61.243 1.904 19562 5525 1 11 . 1 1 82 82 THR CB C 82 70.591 70.591 68.661 1.930 19562 5526 1 11 . 1 1 82 82 THR H H 82 8.345 8.345 8.099 0.246 19562 5527 1 11 . 1 1 83 83 GLY N N 83 112.681 112.681 108.524 4.157 19562 5528 1 11 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.788 -1.794 19562 5529 1 11 . 1 1 83 83 GLY H H 83 7.820 7.820 7.539 0.281 19562 5530 1 11 . 1 1 84 84 GLN N N 84 119.972 119.972 116.674 3.298 19562 5531 1 11 . 1 1 84 84 GLN H H 84 8.622 8.622 8.675 -0.053 19562 5532 1 11 . 1 1 85 85 GLY N N 85 111.040 111.040 105.413 5.627 19562 5533 1 11 . 1 1 85 85 GLY H H 85 8.056 8.056 8.061 -0.005 19562 5534 1 11 . 1 1 86 86 ILE N N 86 121.645 121.645 124.640 -2.995 19562 5535 1 11 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.234 0.052 19562 5536 1 11 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.191 -2.029 19562 5537 1 11 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.486 2.056 19562 5538 1 11 . 1 1 86 86 ILE H H 86 8.021 8.021 8.073 -0.052 19562 5539 1 11 . 1 1 87 87 PHE N N 87 123.890 123.890 129.639 -5.749 19562 5540 1 11 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.512 0.114 19562 5541 1 11 . 1 1 87 87 PHE CA C 87 54.944 54.944 55.206 -0.262 19562 5542 1 11 . 1 1 87 87 PHE CB C 87 42.003 42.003 42.233 -0.230 19562 5543 1 11 . 1 1 87 87 PHE H H 87 8.476 8.476 8.871 -0.395 19562 5544 1 11 . 1 1 88 88 ALA N N 88 124.824 124.824 127.816 -2.992 19562 5545 1 11 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.194 1.087 19562 5546 1 11 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.557 0.647 19562 5547 1 11 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.872 0.463 19562 5548 1 11 . 1 1 88 88 ALA H H 88 9.149 9.149 8.182 0.967 19562 5549 1 11 . 1 1 89 89 PHE N N 89 118.047 118.047 118.235 -0.188 19562 5550 1 11 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.914 0.531 19562 5551 1 11 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.844 -0.139 19562 5552 1 11 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.990 0.506 19562 5553 1 11 . 1 1 89 89 PHE H H 89 9.423 9.423 8.977 0.446 19562 5554 1 11 . 1 1 90 90 LYS N N 90 122.937 122.937 124.765 -1.828 19562 5555 1 11 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.553 0.952 19562 5556 1 11 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.223 -1.395 19562 5557 1 11 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.681 2.332 19562 5558 1 11 . 1 1 90 90 LYS H H 90 9.943 9.943 9.095 0.848 19562 5559 1 11 . 1 1 91 91 CYS N N 91 126.115 126.115 123.647 2.468 19562 5560 1 11 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.621 0.132 19562 5561 1 11 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.058 1.117 19562 5562 1 11 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.481 -0.672 19562 5563 1 11 . 1 1 91 91 CYS H H 91 9.689 9.689 8.492 1.197 19562 5564 1 11 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.086 0.345 19562 5565 1 11 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.875 -0.165 19562 5566 1 11 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.683 -0.820 19562 5567 1 11 . 1 1 93 93 ARG N N 93 117.248 117.248 118.119 -0.871 19562 5568 1 11 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.105 0.907 19562 5569 1 11 . 1 1 93 93 ARG CA C 93 53.957 53.957 52.828 1.129 19562 5570 1 11 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.351 3.452 19562 5571 1 11 . 1 1 93 93 ARG H H 93 7.964 7.964 7.989 -0.025 19562 5572 1 11 . 1 1 94 94 ALA N N 94 122.369 122.369 123.871 -1.502 19562 5573 1 11 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.993 -0.470 19562 5574 1 11 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.490 -0.519 19562 5575 1 11 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.894 -0.798 19562 5576 1 11 . 1 1 94 94 ALA H H 94 7.310 7.310 8.150 -0.840 19562 5577 1 11 . 1 1 95 95 GLU N N 95 116.205 116.205 118.014 -1.809 19562 5578 1 11 . 1 1 95 95 GLU HA H 95 2.480 2.480 3.009 -0.529 19562 5579 1 11 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.097 -0.401 19562 5580 1 11 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.705 1.356 19562 5581 1 11 . 1 1 95 95 GLU H H 95 8.376 8.376 8.539 -0.163 19562 5582 1 11 . 1 1 96 96 GLU N N 96 119.188 119.188 120.315 -1.127 19562 5583 1 11 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.021 -0.054 19562 5584 1 11 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.562 0.338 19562 5585 1 11 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.088 0.942 19562 5586 1 11 . 1 1 96 96 GLU H H 96 7.418 7.418 7.907 -0.489 19562 5587 1 11 . 1 1 97 97 LEU N N 97 123.654 123.654 120.689 2.965 19562 5588 1 11 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.139 -1.125 19562 5589 1 11 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.422 0.297 19562 5590 1 11 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.898 -0.885 19562 5591 1 11 . 1 1 97 97 LEU H H 97 7.847 7.847 8.528 -0.681 19562 5592 1 11 . 1 1 98 98 PHE N N 98 118.746 118.746 119.464 -0.718 19562 5593 1 11 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.281 -0.488 19562 5594 1 11 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.460 0.236 19562 5595 1 11 . 1 1 98 98 PHE H H 98 8.076 8.076 9.104 -1.028 19562 5596 1 11 . 1 1 99 99 ASN N N 99 117.017 117.017 118.859 -1.842 19562 5597 1 11 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.218 0.002 19562 5598 1 11 . 1 1 99 99 ASN CA C 99 55.466 55.466 56.239 -0.773 19562 5599 1 11 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.427 -1.146 19562 5600 1 11 . 1 1 99 99 ASN H H 99 8.622 8.622 8.362 0.260 19562 5601 1 11 . 1 1 100 100 MET N N 100 121.914 121.914 120.479 1.435 19562 5602 1 11 . 1 1 100 100 MET HA H 100 4.061 4.061 4.342 -0.281 19562 5603 1 11 . 1 1 100 100 MET CA C 100 58.699 58.699 59.141 -0.442 19562 5604 1 11 . 1 1 100 100 MET CB C 100 32.048 32.048 32.687 -0.639 19562 5605 1 11 . 1 1 100 100 MET H H 100 8.316 8.316 8.506 -0.190 19562 5606 1 11 . 1 1 101 101 LEU N N 101 121.094 121.094 120.111 0.983 19562 5607 1 11 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.082 -0.502 19562 5608 1 11 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.076 -0.650 19562 5609 1 11 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.446 -0.346 19562 5610 1 11 . 1 1 101 101 LEU H H 101 8.047 8.047 8.682 -0.635 19562 5611 1 11 . 1 1 102 102 GLN N N 102 116.417 116.417 117.517 -1.100 19562 5612 1 11 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.095 -0.181 19562 5613 1 11 . 1 1 102 102 GLN CA C 102 58.446 58.446 59.020 -0.574 19562 5614 1 11 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.233 0.454 19562 5615 1 11 . 1 1 102 102 GLN H H 102 8.195 8.195 8.508 -0.313 19562 5616 1 11 . 1 1 103 103 GLU N N 103 119.096 119.096 120.748 -1.652 19562 5617 1 11 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.221 -0.313 19562 5618 1 11 . 1 1 103 103 GLU CA C 103 58.917 58.917 59.205 -0.288 19562 5619 1 11 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.503 -0.442 19562 5620 1 11 . 1 1 103 103 GLU H H 103 7.635 7.635 8.355 -0.720 19562 5621 1 11 . 1 1 104 104 ILE N N 104 120.803 120.803 121.239 -0.436 19562 5622 1 11 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.742 -0.141 19562 5623 1 11 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.705 -0.995 19562 5624 1 11 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.958 0.092 19562 5625 1 11 . 1 1 104 104 ILE H H 104 7.965 7.965 8.792 -0.827 19562 5626 1 11 . 1 1 105 105 MET N N 105 117.016 117.016 118.719 -1.703 19562 5627 1 11 . 1 1 105 105 MET HA H 105 4.020 4.020 4.091 -0.071 19562 5628 1 11 . 1 1 105 105 MET CA C 105 57.384 57.384 59.766 -2.382 19562 5629 1 11 . 1 1 105 105 MET H H 105 8.145 8.145 8.443 -0.298 19562 5630 1 11 . 1 1 106 106 GLN N N 106 116.150 116.150 117.152 -1.002 19562 5631 1 11 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.079 0.124 19562 5632 1 11 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.451 -1.810 19562 5633 1 11 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.700 -0.587 19562 5634 1 11 . 1 1 106 106 GLN H H 106 7.930 7.930 8.301 -0.371 19562 5635 1 11 . 1 1 107 107 ASN N N 107 117.360 117.360 115.102 2.258 19562 5636 1 11 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.757 -0.037 19562 5637 1 11 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.936 -1.439 19562 5638 1 11 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.476 -0.917 19562 5639 1 11 . 1 1 107 107 ASN H H 107 7.872 7.872 8.391 -0.519 19562 5640 1 11 . 1 1 108 108 ASN N N 108 118.611 118.611 117.225 1.386 19562 5641 1 11 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.820 -0.060 19562 5642 1 11 . 1 1 108 108 ASN CA C 108 52.700 52.700 53.766 -1.066 19562 5643 1 11 . 1 1 108 108 ASN CB C 108 38.518 38.518 38.938 -0.419 19562 5644 1 11 . 1 1 108 108 ASN H H 108 8.144 8.144 8.405 -0.261 19562 5645 1 11 . 1 1 109 109 SER N N 109 115.704 115.704 113.828 1.876 19562 5646 1 11 . 1 1 109 109 SER HA H 109 4.519 4.519 4.125 0.394 19562 5647 1 11 . 1 1 109 109 SER CA C 109 57.700 57.700 60.607 -2.907 19562 5648 1 11 . 1 1 109 109 SER CB C 109 63.150 63.150 62.949 0.201 19562 5649 1 11 . 1 1 109 109 SER H H 109 8.215 8.215 7.824 0.391 19562 5650 1 11 . 1 1 110 110 ILE N N 110 121.954 121.954 119.966 1.988 19562 5651 1 11 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.697 0.515 19562 5652 1 11 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.450 -1.564 19562 5653 1 11 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.629 1.606 19562 5654 1 11 . 1 1 110 110 ILE H H 110 8.061 8.061 7.907 0.154 19562 5655 1 11 . 1 1 111 111 ASN N N 111 122.386 122.386 124.300 -1.914 19562 5656 1 11 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.020 -0.238 19562 5657 1 11 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.488 0.246 19562 5658 1 11 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.269 -2.469 19562 5659 1 11 . 1 1 111 111 ASN H H 111 8.376 8.376 8.440 -0.064 19562 5660 1 11 . 1 1 112 112 VAL N N 112 120.830 120.830 123.923 -3.093 19562 5661 1 11 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.290 -0.105 19562 5662 1 11 . 1 1 112 112 VAL CA C 112 61.660 61.660 61.926 -0.266 19562 5663 1 11 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.613 0.717 19562 5664 1 11 . 1 1 112 112 VAL H H 112 8.067 8.067 8.597 -0.530 19562 5665 1 11 . 1 1 113 113 VAL N N 113 124.249 124.249 121.441 2.808 19562 5666 1 11 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.623 0.492 19562 5667 1 11 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.513 -2.063 19562 5668 1 11 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.556 -0.211 19562 5669 1 11 . 1 1 113 113 VAL H H 113 8.167 8.167 7.910 0.257 19562 5670 1 11 . 1 1 114 114 GLU N N 114 125.288 125.288 118.625 6.663 19562 5671 1 11 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.046 0.263 19562 5672 1 11 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.410 -1.720 19562 5673 1 11 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.888 1.162 19562 5674 1 11 . 1 1 114 114 GLU H H 114 8.405 8.405 8.338 0.067 19562 5675 1 11 . 1 1 115 115 GLU N N 115 123.990 123.990 120.795 3.195 19562 5676 1 11 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.587 -0.024 19562 5677 1 11 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.410 -0.685 19562 5678 1 11 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.105 -0.669 19562 5679 1 11 . 1 1 115 115 GLU H H 115 8.392 8.392 8.249 0.143 19562 5680 1 11 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.483 -0.053 19562 5681 1 11 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.313 0.357 19562 5682 1 11 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.380 1.276 19562 5683 1 11 . 1 1 117 117 VAL N N 117 121.339 121.339 117.468 3.871 19562 5684 1 11 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.629 0.447 19562 5685 1 11 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.774 -0.784 19562 5686 1 11 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.404 0.416 19562 5687 1 11 . 1 1 117 117 VAL H H 117 8.266 8.266 7.810 0.456 19562 5688 1 11 . 1 1 118 118 VAL N N 118 124.762 124.762 125.847 -1.085 19562 5689 1 11 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.008 0.108 19562 5690 1 11 . 1 1 118 118 VAL H H 118 8.202 8.202 8.467 -0.265 19562 5691 1 11 . 1 1 119 119 GLU N N 119 125.304 125.304 120.801 4.503 19562 5692 1 11 . 1 1 119 119 GLU H H 119 8.479 8.479 8.718 -0.239 19562 5693 1 11 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.027 0.368 19562 5694 1 11 . 1 1 120 120 ARG CA C 120 55.350 55.350 58.060 -2.710 19562 5695 1 11 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.548 0.017 19562 5696 1 11 . 1 1 121 121 ASN N N 121 120.465 120.465 117.544 2.921 19562 5697 1 11 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.873 -0.119 19562 5698 1 11 . 1 1 121 121 ASN H H 121 8.536 8.536 8.454 0.082 19562 5699 1 12 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.834 -0.215 19562 5700 1 12 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.200 -0.052 19562 5701 1 12 . 1 1 9 9 HIS CB C 9 29.609 29.609 29.118 0.491 19562 5702 1 12 . 1 1 10 10 MET N N 10 120.964 120.964 121.197 -0.233 19562 5703 1 12 . 1 1 10 10 MET HA H 10 4.395 4.395 4.219 0.176 19562 5704 1 12 . 1 1 10 10 MET CA C 10 55.153 55.153 57.269 -2.115 19562 5705 1 12 . 1 1 10 10 MET CB C 10 32.293 32.293 32.986 -0.693 19562 5706 1 12 . 1 1 10 10 MET H H 10 8.274 8.274 8.390 -0.116 19562 5707 1 12 . 1 1 11 11 ASP N N 11 120.989 120.989 112.907 8.082 19562 5708 1 12 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.762 -0.016 19562 5709 1 12 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.966 0.234 19562 5710 1 12 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.014 -0.814 19562 5711 1 12 . 1 1 11 11 ASP H H 11 8.281 8.281 8.093 0.188 19562 5712 1 12 . 1 1 12 12 THR N N 12 113.244 113.244 114.052 -0.808 19562 5713 1 12 . 1 1 12 12 THR HA H 12 4.312 4.312 4.340 -0.028 19562 5714 1 12 . 1 1 12 12 THR CA C 12 61.218 61.218 61.895 -0.677 19562 5715 1 12 . 1 1 12 12 THR CB C 12 69.316 69.316 67.384 1.932 19562 5716 1 12 . 1 1 12 12 THR H H 12 7.979 7.979 7.952 0.027 19562 5717 1 12 . 1 1 13 13 VAL N N 13 123.579 123.579 124.329 -0.750 19562 5718 1 12 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.144 0.260 19562 5719 1 12 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.740 -1.506 19562 5720 1 12 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.891 -0.592 19562 5721 1 12 . 1 1 13 13 VAL H H 13 8.021 8.021 7.893 0.128 19562 5722 1 12 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.589 -0.162 19562 5723 1 12 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.510 0.390 19562 5724 1 12 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.393 -0.603 19562 5725 1 12 . 1 1 15 15 ASP N N 15 120.556 120.556 120.612 -0.056 19562 5726 1 12 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.204 0.248 19562 5727 1 12 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.568 -2.147 19562 5728 1 12 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.964 -0.406 19562 5729 1 12 . 1 1 15 15 ASP H H 15 8.471 8.471 8.700 -0.229 19562 5730 1 12 . 1 1 16 16 ASN N N 16 116.991 116.991 116.290 0.701 19562 5731 1 12 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.654 -0.050 19562 5732 1 12 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.475 -0.193 19562 5733 1 12 . 1 1 16 16 ASN CB C 16 37.731 37.731 40.066 -2.334 19562 5734 1 12 . 1 1 16 16 ASN H H 16 8.111 8.111 8.037 0.074 19562 5735 1 12 . 1 1 17 17 HIS N N 17 119.335 119.335 121.225 -1.890 19562 5736 1 12 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.625 -0.213 19562 5737 1 12 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.834 0.602 19562 5738 1 12 . 1 1 17 17 HIS CB C 17 30.009 30.009 31.015 -1.006 19562 5739 1 12 . 1 1 17 17 HIS H H 17 8.014 8.014 7.716 0.298 19562 5740 1 12 . 1 1 18 18 ARG N N 18 122.269 122.269 119.958 2.311 19562 5741 1 12 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.768 0.215 19562 5742 1 12 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.960 -1.541 19562 5743 1 12 . 1 1 18 18 ARG CB C 18 29.781 29.781 29.388 0.393 19562 5744 1 12 . 1 1 18 18 ARG H H 18 8.209 8.209 8.807 -0.598 19562 5745 1 12 . 1 1 19 19 ASN N N 19 114.495 114.495 112.346 2.149 19562 5746 1 12 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.028 0.687 19562 5747 1 12 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.166 -1.443 19562 5748 1 12 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.154 -0.120 19562 5749 1 12 . 1 1 19 19 ASN H H 19 8.565 8.565 6.979 1.586 19562 5750 1 12 . 1 1 20 20 LYS N N 20 117.932 117.932 121.519 -3.587 19562 5751 1 12 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.148 1.109 19562 5752 1 12 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.119 -0.383 19562 5753 1 12 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.655 3.360 19562 5754 1 12 . 1 1 20 20 LYS H H 20 7.040 7.040 7.111 -0.071 19562 5755 1 12 . 1 1 21 21 PHE N N 21 120.620 120.620 127.816 -7.196 19562 5756 1 12 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.562 -0.053 19562 5757 1 12 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.590 1.331 19562 5758 1 12 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.724 0.475 19562 5759 1 12 . 1 1 21 21 PHE H H 21 9.389 9.389 8.158 1.232 19562 5760 1 12 . 1 1 22 22 LYS N N 22 125.637 125.637 127.087 -1.450 19562 5761 1 12 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.480 0.257 19562 5762 1 12 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.815 1.157 19562 5763 1 12 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.238 0.068 19562 5764 1 12 . 1 1 22 22 LYS H H 22 9.258 9.258 8.970 0.288 19562 5765 1 12 . 1 1 23 23 VAL N N 23 118.282 118.282 118.227 0.055 19562 5766 1 12 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.464 1.163 19562 5767 1 12 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.301 -0.916 19562 5768 1 12 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.984 2.532 19562 5769 1 12 . 1 1 23 23 VAL H H 23 8.672 8.672 7.835 0.837 19562 5770 1 12 . 1 1 24 24 ILE N N 24 120.397 120.397 119.553 0.844 19562 5771 1 12 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.507 0.306 19562 5772 1 12 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.906 0.255 19562 5773 1 12 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.072 1.996 19562 5774 1 12 . 1 1 24 24 ILE H H 24 8.824 8.824 8.350 0.474 19562 5775 1 12 . 1 1 25 25 ASN N N 25 127.655 127.655 127.444 0.211 19562 5776 1 12 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.761 -0.260 19562 5777 1 12 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.771 0.430 19562 5778 1 12 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.672 0.848 19562 5779 1 12 . 1 1 25 25 ASN H H 25 9.232 9.232 8.526 0.706 19562 5780 1 12 . 1 1 26 26 VAL N N 26 116.322 116.322 119.419 -3.097 19562 5781 1 12 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.275 0.267 19562 5782 1 12 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.655 -1.883 19562 5783 1 12 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.745 0.525 19562 5784 1 12 . 1 1 26 26 VAL H H 26 7.680 7.680 7.518 0.162 19562 5785 1 12 . 1 1 27 27 ASP N N 27 117.000 117.000 126.012 -9.012 19562 5786 1 12 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.915 -0.822 19562 5787 1 12 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.887 -2.925 19562 5788 1 12 . 1 1 27 27 ASP H H 27 7.500 7.500 8.034 -0.534 19562 5789 1 12 . 1 1 28 28 ASP N N 28 112.540 112.540 123.456 -10.916 19562 5790 1 12 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.252 -0.081 19562 5791 1 12 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.108 0.190 19562 5792 1 12 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.991 -0.907 19562 5793 1 12 . 1 1 28 28 ASP H H 28 7.922 7.922 8.922 -1.000 19562 5794 1 12 . 1 1 29 29 ASP N N 29 115.319 115.319 117.229 -1.910 19562 5795 1 12 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.738 0.007 19562 5796 1 12 . 1 1 29 29 ASP CA C 29 53.451 53.451 54.017 -0.566 19562 5797 1 12 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.027 0.977 19562 5798 1 12 . 1 1 29 29 ASP H H 29 7.809 7.809 8.155 -0.346 19562 5799 1 12 . 1 1 30 30 GLY N N 30 108.887 108.887 108.454 0.433 19562 5800 1 12 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.482 -0.993 19562 5801 1 12 . 1 1 30 30 GLY H H 30 8.196 8.196 8.456 -0.260 19562 5802 1 12 . 1 1 31 31 ASN N N 31 119.906 119.906 118.285 1.621 19562 5803 1 12 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.794 -0.311 19562 5804 1 12 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.387 0.814 19562 5805 1 12 . 1 1 31 31 ASN CB C 31 37.611 37.611 40.177 -2.566 19562 5806 1 12 . 1 1 31 31 ASN H H 31 8.643 8.643 7.881 0.762 19562 5807 1 12 . 1 1 32 32 GLU N N 32 119.114 119.114 125.683 -6.569 19562 5808 1 12 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.273 -0.374 19562 5809 1 12 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.485 -0.024 19562 5810 1 12 . 1 1 32 32 GLU H H 32 8.525 8.525 8.972 -0.447 19562 5811 1 12 . 1 1 33 33 LEU N N 33 126.117 126.117 122.666 3.451 19562 5812 1 12 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.362 0.247 19562 5813 1 12 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.927 -2.002 19562 5814 1 12 . 1 1 33 33 LEU CB C 33 40.756 40.756 42.632 -1.876 19562 5815 1 12 . 1 1 33 33 LEU H H 33 8.817 8.817 8.337 0.480 19562 5816 1 12 . 1 1 34 34 GLY N N 34 108.970 108.970 106.040 2.930 19562 5817 1 12 . 1 1 34 34 GLY CA C 34 44.989 44.989 45.175 -0.186 19562 5818 1 12 . 1 1 34 34 GLY H H 34 8.228 8.228 7.803 0.425 19562 5819 1 12 . 1 1 35 35 SER N N 35 118.388 118.388 116.871 1.517 19562 5820 1 12 . 1 1 35 35 SER HA H 35 5.465 5.465 4.444 1.021 19562 5821 1 12 . 1 1 35 35 SER CA C 35 57.205 57.205 59.173 -1.968 19562 5822 1 12 . 1 1 35 35 SER CB C 35 65.393 65.393 63.443 1.950 19562 5823 1 12 . 1 1 35 35 SER H H 35 8.776 8.776 8.225 0.551 19562 5824 1 12 . 1 1 36 36 GLY N N 36 109.081 109.081 110.146 -1.065 19562 5825 1 12 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.990 1.495 19562 5826 1 12 . 1 1 36 36 GLY H H 36 9.013 9.013 8.226 0.787 19562 5827 1 12 . 1 1 37 37 ILE N N 37 121.560 121.560 119.196 2.364 19562 5828 1 12 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.736 0.368 19562 5829 1 12 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.186 -1.064 19562 5830 1 12 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.996 -1.531 19562 5831 1 12 . 1 1 37 37 ILE H H 37 8.779 8.779 8.416 0.363 19562 5832 1 12 . 1 1 38 38 MET N N 38 128.553 128.553 122.462 6.091 19562 5833 1 12 . 1 1 38 38 MET HA H 38 5.735 5.735 4.822 0.913 19562 5834 1 12 . 1 1 38 38 MET CA C 38 53.008 53.008 53.686 -0.678 19562 5835 1 12 . 1 1 38 38 MET CB C 38 36.446 36.446 34.694 1.752 19562 5836 1 12 . 1 1 38 38 MET H H 38 9.827 9.827 9.359 0.468 19562 5837 1 12 . 1 1 39 39 GLU N N 39 129.378 129.378 128.026 1.352 19562 5838 1 12 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.491 1.009 19562 5839 1 12 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.700 -2.245 19562 5840 1 12 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.750 4.787 19562 5841 1 12 . 1 1 39 39 GLU H H 39 10.160 10.160 9.085 1.075 19562 5842 1 12 . 1 1 40 40 LEU N N 40 127.174 127.174 130.727 -3.553 19562 5843 1 12 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.418 0.660 19562 5844 1 12 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.511 -0.071 19562 5845 1 12 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.290 0.723 19562 5846 1 12 . 1 1 40 40 LEU H H 40 8.334 8.334 8.590 -0.256 19562 5847 1 12 . 1 1 41 41 THR N N 41 115.971 115.971 116.607 -0.636 19562 5848 1 12 . 1 1 41 41 THR HA H 41 5.012 5.012 4.503 0.509 19562 5849 1 12 . 1 1 41 41 THR CA C 41 59.113 59.113 59.488 -0.375 19562 5850 1 12 . 1 1 41 41 THR CB C 41 69.295 69.295 70.758 -1.463 19562 5851 1 12 . 1 1 41 41 THR H H 41 8.682 8.682 7.905 0.777 19562 5852 1 12 . 1 1 42 42 ASP N N 42 117.467 117.467 117.450 0.017 19562 5853 1 12 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.232 0.383 19562 5854 1 12 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.118 -0.426 19562 5855 1 12 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.761 -0.970 19562 5856 1 12 . 1 1 42 42 ASP H H 42 8.794 8.794 8.597 0.197 19562 5857 1 12 . 1 1 43 43 THR N N 43 104.010 104.010 105.435 -1.425 19562 5858 1 12 . 1 1 43 43 THR HA H 43 4.412 4.412 3.493 0.919 19562 5859 1 12 . 1 1 43 43 THR CA C 43 61.601 61.601 61.500 0.101 19562 5860 1 12 . 1 1 43 43 THR CB C 43 71.362 71.362 70.639 0.723 19562 5861 1 12 . 1 1 43 43 THR H H 43 7.763 7.763 7.335 0.428 19562 5862 1 12 . 1 1 44 44 GLU N N 44 118.980 118.980 121.858 -2.878 19562 5863 1 12 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.983 -0.813 19562 5864 1 12 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.899 -0.959 19562 5865 1 12 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.196 0.291 19562 5866 1 12 . 1 1 44 44 GLU H H 44 7.263 7.263 7.678 -0.415 19562 5867 1 12 . 1 1 45 45 LEU N N 45 122.138 122.138 128.252 -6.114 19562 5868 1 12 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.837 0.135 19562 5869 1 12 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.646 -0.925 19562 5870 1 12 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.548 1.690 19562 5871 1 12 . 1 1 45 45 LEU H H 45 8.314 8.314 9.307 -0.993 19562 5872 1 12 . 1 1 46 46 ILE N N 46 124.244 124.244 126.601 -2.357 19562 5873 1 12 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.530 0.194 19562 5874 1 12 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.718 1.592 19562 5875 1 12 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.224 4.266 19562 5876 1 12 . 1 1 46 46 ILE H H 46 9.154 9.154 9.061 0.093 19562 5877 1 12 . 1 1 47 47 LEU N N 47 127.510 127.510 131.361 -3.851 19562 5878 1 12 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.951 0.315 19562 5879 1 12 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.180 -1.474 19562 5880 1 12 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.001 2.735 19562 5881 1 12 . 1 1 47 47 LEU H H 47 9.378 9.378 8.488 0.890 19562 5882 1 12 . 1 1 48 48 TYR N N 48 128.014 128.014 127.098 0.916 19562 5883 1 12 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.736 0.298 19562 5884 1 12 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.343 0.094 19562 5885 1 12 . 1 1 48 48 TYR CB C 48 38.791 38.791 37.233 1.558 19562 5886 1 12 . 1 1 48 48 TYR H H 48 9.724 9.724 8.871 0.853 19562 5887 1 12 . 1 1 49 49 THR N N 49 115.097 115.097 117.337 -2.240 19562 5888 1 12 . 1 1 49 49 THR HA H 49 4.813 4.813 4.571 0.242 19562 5889 1 12 . 1 1 49 49 THR CA C 49 60.349 60.349 60.891 -0.542 19562 5890 1 12 . 1 1 49 49 THR CB C 49 70.967 70.967 70.291 0.676 19562 5891 1 12 . 1 1 49 49 THR H H 49 8.659 8.659 7.831 0.828 19562 5892 1 12 . 1 1 50 50 ARG N N 50 120.411 120.411 120.055 0.356 19562 5893 1 12 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.333 -0.134 19562 5894 1 12 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.298 -0.851 19562 5895 1 12 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.240 -0.466 19562 5896 1 12 . 1 1 50 50 ARG H H 50 8.649 8.649 8.682 -0.033 19562 5897 1 12 . 1 1 51 51 LYS N N 51 117.579 117.579 118.192 -0.613 19562 5898 1 12 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.483 -0.320 19562 5899 1 12 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.856 -0.178 19562 5900 1 12 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.349 -0.992 19562 5901 1 12 . 1 1 51 51 LYS H H 51 8.406 8.406 8.109 0.297 19562 5902 1 12 . 1 1 52 52 ARG N N 52 116.662 116.662 120.738 -4.076 19562 5903 1 12 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.302 0.140 19562 5904 1 12 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.322 -1.017 19562 5905 1 12 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.750 1.000 19562 5906 1 12 . 1 1 52 52 ARG H H 52 7.973 7.973 8.089 -0.116 19562 5907 1 12 . 1 1 53 53 ASP N N 53 119.760 119.760 116.041 3.719 19562 5908 1 12 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.369 0.391 19562 5909 1 12 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.941 -1.050 19562 5910 1 12 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.098 -0.091 19562 5911 1 12 . 1 1 53 53 ASP H H 53 8.066 8.066 7.877 0.189 19562 5912 1 12 . 1 1 54 54 SER N N 54 116.756 116.756 116.727 0.029 19562 5913 1 12 . 1 1 54 54 SER HA H 54 4.891 4.891 4.294 0.597 19562 5914 1 12 . 1 1 54 54 SER CA C 54 57.072 57.072 59.351 -2.279 19562 5915 1 12 . 1 1 54 54 SER CB C 54 64.473 64.473 61.557 2.916 19562 5916 1 12 . 1 1 54 54 SER H H 54 8.477 8.477 8.325 0.152 19562 5917 1 12 . 1 1 55 55 VAL N N 55 122.716 122.716 124.456 -1.740 19562 5918 1 12 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.876 0.072 19562 5919 1 12 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.150 -2.694 19562 5920 1 12 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.827 0.711 19562 5921 1 12 . 1 1 55 55 VAL H H 55 8.334 8.334 8.997 -0.663 19562 5922 1 12 . 1 1 56 56 LYS N N 56 121.568 121.568 120.672 0.896 19562 5923 1 12 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.916 0.355 19562 5924 1 12 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.601 -0.910 19562 5925 1 12 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.920 0.883 19562 5926 1 12 . 1 1 56 56 LYS H H 56 7.501 7.501 7.880 -0.379 19562 5927 1 12 . 1 1 57 57 TRP N N 57 123.638 123.638 123.993 -0.355 19562 5928 1 12 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.812 -0.147 19562 5929 1 12 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.275 1.487 19562 5930 1 12 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.546 1.004 19562 5931 1 12 . 1 1 57 57 TRP H H 57 9.453 9.453 8.871 0.582 19562 5932 1 12 . 1 1 58 58 HIS N N 58 125.312 125.312 126.125 -0.813 19562 5933 1 12 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.173 -0.634 19562 5934 1 12 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.227 -0.043 19562 5935 1 12 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.431 -1.107 19562 5936 1 12 . 1 1 58 58 HIS H H 58 9.024 9.024 8.853 0.171 19562 5937 1 12 . 1 1 59 59 TYR N N 59 126.691 126.691 125.600 1.091 19562 5938 1 12 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.254 0.098 19562 5939 1 12 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.671 0.028 19562 5940 1 12 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.193 -1.666 19562 5941 1 12 . 1 1 59 59 TYR H H 59 8.079 8.079 8.788 -0.709 19562 5942 1 12 . 1 1 60 60 LEU N N 60 114.859 114.859 119.542 -4.683 19562 5943 1 12 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.366 -0.129 19562 5944 1 12 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.816 0.283 19562 5945 1 12 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.685 -0.131 19562 5946 1 12 . 1 1 60 60 LEU H H 60 9.307 9.307 8.102 1.205 19562 5947 1 12 . 1 1 61 61 CYS N N 61 114.415 114.415 117.335 -2.920 19562 5948 1 12 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.600 0.646 19562 5949 1 12 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.444 -1.011 19562 5950 1 12 . 1 1 61 61 CYS CB C 61 28.066 28.066 29.892 -1.826 19562 5951 1 12 . 1 1 61 61 CYS H H 61 8.421 8.421 7.762 0.659 19562 5952 1 12 . 1 1 62 62 LEU N N 62 122.413 122.413 123.513 -1.100 19562 5953 1 12 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.279 0.468 19562 5954 1 12 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.691 -1.253 19562 5955 1 12 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.200 0.839 19562 5956 1 12 . 1 1 62 62 LEU H H 62 7.702 7.702 7.350 0.352 19562 5957 1 12 . 1 1 63 63 ARG N N 63 122.839 122.839 123.431 -0.592 19562 5958 1 12 . 1 1 63 63 ARG H H 63 9.301 9.301 8.937 0.364 19562 5959 1 12 . 1 1 64 64 ARG N N 64 111.512 111.512 113.906 -2.394 19562 5960 1 12 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.703 0.783 19562 5961 1 12 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.786 -1.141 19562 5962 1 12 . 1 1 64 64 ARG CB C 64 35.005 35.005 33.165 1.840 19562 5963 1 12 . 1 1 64 64 ARG H H 64 7.457 7.457 7.610 -0.153 19562 5964 1 12 . 1 1 65 65 TYR N N 65 115.127 115.127 114.544 0.583 19562 5965 1 12 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.090 0.450 19562 5966 1 12 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.142 -0.953 19562 5967 1 12 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.173 -0.659 19562 5968 1 12 . 1 1 65 65 TYR H H 65 8.340 8.340 8.434 -0.094 19562 5969 1 12 . 1 1 66 66 GLY N N 66 104.938 104.938 108.662 -3.724 19562 5970 1 12 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.529 2.371 19562 5971 1 12 . 1 1 66 66 GLY H H 66 8.950 8.950 8.681 0.269 19562 5972 1 12 . 1 1 67 67 TYR N N 67 117.143 117.143 120.061 -2.918 19562 5973 1 12 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.539 0.023 19562 5974 1 12 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.988 -1.503 19562 5975 1 12 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.188 2.159 19562 5976 1 12 . 1 1 67 67 TYR H H 67 8.022 8.022 7.976 0.046 19562 5977 1 12 . 1 1 68 68 ASP N N 68 119.290 119.290 129.001 -9.711 19562 5978 1 12 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.155 -0.325 19562 5979 1 12 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.544 1.898 19562 5980 1 12 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.329 3.687 19562 5981 1 12 . 1 1 68 68 ASP H H 68 8.656 8.656 9.057 -0.401 19562 5982 1 12 . 1 1 69 69 SER N N 69 119.561 119.561 122.133 -2.572 19562 5983 1 12 . 1 1 69 69 SER HA H 69 4.040 4.040 4.177 -0.137 19562 5984 1 12 . 1 1 69 69 SER CB C 69 59.170 59.170 62.507 -3.337 19562 5985 1 12 . 1 1 69 69 SER H H 69 8.957 8.957 8.676 0.281 19562 5986 1 12 . 1 1 70 70 ASN N N 70 119.438 119.438 111.583 7.855 19562 5987 1 12 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.509 0.623 19562 5988 1 12 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.769 -2.781 19562 5989 1 12 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.013 0.265 19562 5990 1 12 . 1 1 70 70 ASN H H 70 8.502 8.502 8.890 -0.388 19562 5991 1 12 . 1 1 71 71 LEU N N 71 120.481 120.481 119.973 0.508 19562 5992 1 12 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.797 0.768 19562 5993 1 12 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.989 -0.538 19562 5994 1 12 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.408 2.328 19562 5995 1 12 . 1 1 71 71 LEU H H 71 8.807 8.807 7.645 1.162 19562 5996 1 12 . 1 1 72 72 PHE N N 72 120.815 120.815 127.461 -6.646 19562 5997 1 12 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.445 0.082 19562 5998 1 12 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.471 -0.287 19562 5999 1 12 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.660 1.203 19562 6000 1 12 . 1 1 72 72 PHE H H 72 9.439 9.439 9.742 -0.303 19562 6001 1 12 . 1 1 73 73 SER N N 73 120.270 120.270 118.809 1.461 19562 6002 1 12 . 1 1 73 73 SER HA H 73 5.387 5.387 4.687 0.700 19562 6003 1 12 . 1 1 73 73 SER CA C 73 54.994 54.994 55.122 -0.128 19562 6004 1 12 . 1 1 73 73 SER CB C 73 66.409 66.409 65.873 0.536 19562 6005 1 12 . 1 1 73 73 SER H H 73 8.597 8.597 8.244 0.353 19562 6006 1 12 . 1 1 74 74 PHE N N 74 117.157 117.157 116.408 0.749 19562 6007 1 12 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.260 0.001 19562 6008 1 12 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.845 -0.146 19562 6009 1 12 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.500 0.403 19562 6010 1 12 . 1 1 74 74 PHE H H 74 8.050 8.050 8.663 -0.613 19562 6011 1 12 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.992 0.744 19562 6012 1 12 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.447 -2.738 19562 6013 1 12 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.224 0.596 19562 6014 1 12 . 1 1 76 76 SER N N 76 123.656 123.656 123.352 0.304 19562 6015 1 12 . 1 1 76 76 SER HA H 76 5.243 5.243 5.210 0.033 19562 6016 1 12 . 1 1 76 76 SER CA C 76 56.906 56.906 57.713 -0.807 19562 6017 1 12 . 1 1 76 76 SER CB C 76 67.886 67.886 64.365 3.521 19562 6018 1 12 . 1 1 76 76 SER H H 76 9.930 9.930 9.214 0.716 19562 6019 1 12 . 1 1 77 77 GLY N N 77 105.906 105.906 111.849 -5.943 19562 6020 1 12 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.756 0.244 19562 6021 1 12 . 1 1 77 77 GLY H H 77 8.939 8.939 9.022 -0.083 19562 6022 1 12 . 1 1 78 78 ARG N N 78 114.676 114.676 119.236 -4.560 19562 6023 1 12 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.698 -0.681 19562 6024 1 12 . 1 1 78 78 ARG H H 78 9.680 9.680 7.582 2.098 19562 6025 1 12 . 1 1 79 79 ARG N N 79 121.801 121.801 120.135 1.666 19562 6026 1 12 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.398 0.175 19562 6027 1 12 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.069 -1.141 19562 6028 1 12 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.203 -3.133 19562 6029 1 12 . 1 1 79 79 ARG H H 79 9.389 9.389 8.583 0.806 19562 6030 1 12 . 1 1 80 80 CYS N N 80 113.901 113.901 117.872 -3.971 19562 6031 1 12 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.522 0.366 19562 6032 1 12 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.504 -1.539 19562 6033 1 12 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.092 -0.494 19562 6034 1 12 . 1 1 80 80 CYS H H 80 7.994 7.994 8.244 -0.250 19562 6035 1 12 . 1 1 81 81 GLN N N 81 122.839 122.839 120.459 2.380 19562 6036 1 12 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.074 0.022 19562 6037 1 12 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.660 0.279 19562 6038 1 12 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.130 -0.790 19562 6039 1 12 . 1 1 81 81 GLN H H 81 8.950 8.950 8.662 0.288 19562 6040 1 12 . 1 1 82 82 THR N N 82 107.297 107.297 107.441 -0.144 19562 6041 1 12 . 1 1 82 82 THR HA H 82 4.207 4.207 4.485 -0.278 19562 6042 1 12 . 1 1 82 82 THR CA C 82 63.147 63.147 60.849 2.298 19562 6043 1 12 . 1 1 82 82 THR CB C 82 70.591 70.591 68.990 1.601 19562 6044 1 12 . 1 1 82 82 THR H H 82 8.345 8.345 8.004 0.341 19562 6045 1 12 . 1 1 83 83 GLY N N 83 112.681 112.681 109.532 3.149 19562 6046 1 12 . 1 1 83 83 GLY CA C 83 43.994 43.994 46.578 -2.584 19562 6047 1 12 . 1 1 83 83 GLY H H 83 7.820 7.820 8.086 -0.266 19562 6048 1 12 . 1 1 84 84 GLN N N 84 119.972 119.972 117.007 2.965 19562 6049 1 12 . 1 1 84 84 GLN H H 84 8.622 8.622 8.428 0.194 19562 6050 1 12 . 1 1 85 85 GLY N N 85 111.040 111.040 105.816 5.224 19562 6051 1 12 . 1 1 85 85 GLY H H 85 8.056 8.056 8.159 -0.103 19562 6052 1 12 . 1 1 86 86 ILE N N 86 121.645 121.645 125.235 -3.590 19562 6053 1 12 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.225 0.061 19562 6054 1 12 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.087 -1.925 19562 6055 1 12 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.683 1.859 19562 6056 1 12 . 1 1 86 86 ILE H H 86 8.021 8.021 8.180 -0.159 19562 6057 1 12 . 1 1 87 87 PHE N N 87 123.890 123.890 129.956 -6.066 19562 6058 1 12 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.527 0.099 19562 6059 1 12 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.804 0.140 19562 6060 1 12 . 1 1 87 87 PHE CB C 87 42.003 42.003 42.496 -0.493 19562 6061 1 12 . 1 1 87 87 PHE H H 87 8.476 8.476 9.168 -0.692 19562 6062 1 12 . 1 1 88 88 ALA N N 88 124.824 124.824 128.305 -3.481 19562 6063 1 12 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.234 1.047 19562 6064 1 12 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.788 0.416 19562 6065 1 12 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.732 0.603 19562 6066 1 12 . 1 1 88 88 ALA H H 88 9.149 9.149 8.168 0.981 19562 6067 1 12 . 1 1 89 89 PHE N N 89 118.047 118.047 119.701 -1.654 19562 6068 1 12 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.978 0.467 19562 6069 1 12 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.715 -0.010 19562 6070 1 12 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.855 0.641 19562 6071 1 12 . 1 1 89 89 PHE H H 89 9.423 9.423 9.051 0.372 19562 6072 1 12 . 1 1 90 90 LYS N N 90 122.937 122.937 124.946 -2.009 19562 6073 1 12 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.544 0.961 19562 6074 1 12 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.205 -1.377 19562 6075 1 12 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.641 2.372 19562 6076 1 12 . 1 1 90 90 LYS H H 90 9.943 9.943 9.125 0.818 19562 6077 1 12 . 1 1 91 91 CYS N N 91 126.115 126.115 123.675 2.440 19562 6078 1 12 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.607 0.146 19562 6079 1 12 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.144 1.031 19562 6080 1 12 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.445 -0.636 19562 6081 1 12 . 1 1 91 91 CYS H H 91 9.689 9.689 8.455 1.234 19562 6082 1 12 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.333 0.098 19562 6083 1 12 . 1 1 92 92 ALA CA C 92 54.710 54.710 53.905 0.805 19562 6084 1 12 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.367 -0.504 19562 6085 1 12 . 1 1 93 93 ARG N N 93 117.248 117.248 118.203 -0.955 19562 6086 1 12 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.231 0.781 19562 6087 1 12 . 1 1 93 93 ARG CA C 93 53.957 53.957 52.958 0.999 19562 6088 1 12 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.694 3.109 19562 6089 1 12 . 1 1 93 93 ARG H H 93 7.964 7.964 7.439 0.525 19562 6090 1 12 . 1 1 94 94 ALA N N 94 122.369 122.369 124.321 -1.952 19562 6091 1 12 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.950 -0.427 19562 6092 1 12 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.522 -0.551 19562 6093 1 12 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.743 -0.647 19562 6094 1 12 . 1 1 94 94 ALA H H 94 7.310 7.310 8.302 -0.992 19562 6095 1 12 . 1 1 95 95 GLU N N 95 116.205 116.205 117.940 -1.735 19562 6096 1 12 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.712 -0.232 19562 6097 1 12 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.079 -0.383 19562 6098 1 12 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.669 1.392 19562 6099 1 12 . 1 1 95 95 GLU H H 95 8.376 8.376 8.466 -0.090 19562 6100 1 12 . 1 1 96 96 GLU N N 96 119.188 119.188 120.474 -1.286 19562 6101 1 12 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.012 -0.045 19562 6102 1 12 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.445 0.455 19562 6103 1 12 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.065 0.965 19562 6104 1 12 . 1 1 96 96 GLU H H 96 7.418 7.418 7.869 -0.451 19562 6105 1 12 . 1 1 97 97 LEU N N 97 123.654 123.654 120.596 3.058 19562 6106 1 12 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.121 -1.107 19562 6107 1 12 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.411 0.308 19562 6108 1 12 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.858 -0.844 19562 6109 1 12 . 1 1 97 97 LEU H H 97 7.847 7.847 8.554 -0.707 19562 6110 1 12 . 1 1 98 98 PHE N N 98 118.746 118.746 119.702 -0.956 19562 6111 1 12 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.306 -0.513 19562 6112 1 12 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.572 0.124 19562 6113 1 12 . 1 1 98 98 PHE H H 98 8.076 8.076 9.158 -1.082 19562 6114 1 12 . 1 1 99 99 ASN N N 99 117.017 117.017 118.951 -1.934 19562 6115 1 12 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.221 -0.001 19562 6116 1 12 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.737 -0.272 19562 6117 1 12 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.183 -0.902 19562 6118 1 12 . 1 1 99 99 ASN H H 99 8.622 8.622 8.400 0.222 19562 6119 1 12 . 1 1 100 100 MET N N 100 121.914 121.914 120.486 1.428 19562 6120 1 12 . 1 1 100 100 MET HA H 100 4.061 4.061 4.221 -0.160 19562 6121 1 12 . 1 1 100 100 MET CA C 100 58.699 58.699 58.997 -0.298 19562 6122 1 12 . 1 1 100 100 MET CB C 100 32.048 32.048 32.584 -0.536 19562 6123 1 12 . 1 1 100 100 MET H H 100 8.316 8.316 8.560 -0.244 19562 6124 1 12 . 1 1 101 101 LEU N N 101 121.094 121.094 120.691 0.403 19562 6125 1 12 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.106 -0.526 19562 6126 1 12 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.059 -0.634 19562 6127 1 12 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.396 -0.296 19562 6128 1 12 . 1 1 101 101 LEU H H 101 8.047 8.047 8.872 -0.825 19562 6129 1 12 . 1 1 102 102 GLN N N 102 116.417 116.417 117.515 -1.098 19562 6130 1 12 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.049 -0.135 19562 6131 1 12 . 1 1 102 102 GLN CA C 102 58.446 58.446 59.172 -0.726 19562 6132 1 12 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.340 0.346 19562 6133 1 12 . 1 1 102 102 GLN H H 102 8.195 8.195 8.515 -0.320 19562 6134 1 12 . 1 1 103 103 GLU N N 103 119.096 119.096 120.534 -1.438 19562 6135 1 12 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.240 -0.332 19562 6136 1 12 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.864 0.054 19562 6137 1 12 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.349 -0.288 19562 6138 1 12 . 1 1 103 103 GLU H H 103 7.635 7.635 8.604 -0.969 19562 6139 1 12 . 1 1 104 104 ILE N N 104 120.803 120.803 121.545 -0.742 19562 6140 1 12 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.716 -0.115 19562 6141 1 12 . 1 1 104 104 ILE CA C 104 64.710 64.710 63.999 0.711 19562 6142 1 12 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.223 0.827 19562 6143 1 12 . 1 1 104 104 ILE H H 104 7.965 7.965 8.795 -0.830 19562 6144 1 12 . 1 1 105 105 MET N N 105 117.016 117.016 119.024 -2.008 19562 6145 1 12 . 1 1 105 105 MET HA H 105 4.020 4.020 4.096 -0.076 19562 6146 1 12 . 1 1 105 105 MET CA C 105 57.384 57.384 60.056 -2.672 19562 6147 1 12 . 1 1 105 105 MET H H 105 8.145 8.145 8.583 -0.438 19562 6148 1 12 . 1 1 106 106 GLN N N 106 116.150 116.150 118.075 -1.925 19562 6149 1 12 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.074 0.129 19562 6150 1 12 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.579 -1.938 19562 6151 1 12 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.674 -0.561 19562 6152 1 12 . 1 1 106 106 GLN H H 106 7.930 7.930 8.500 -0.570 19562 6153 1 12 . 1 1 107 107 ASN N N 107 117.360 117.360 114.028 3.332 19562 6154 1 12 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.763 -0.043 19562 6155 1 12 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.385 -0.887 19562 6156 1 12 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.581 -1.022 19562 6157 1 12 . 1 1 107 107 ASN H H 107 7.872 7.872 8.350 -0.478 19562 6158 1 12 . 1 1 108 108 ASN N N 108 118.611 118.611 117.666 0.945 19562 6159 1 12 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.827 -0.067 19562 6160 1 12 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.050 -1.350 19562 6161 1 12 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.503 -1.985 19562 6162 1 12 . 1 1 108 108 ASN H H 108 8.144 8.144 8.122 0.022 19562 6163 1 12 . 1 1 109 109 SER N N 109 115.704 115.704 115.660 0.044 19562 6164 1 12 . 1 1 109 109 SER HA H 109 4.519 4.519 4.043 0.476 19562 6165 1 12 . 1 1 109 109 SER CA C 109 57.700 57.700 60.588 -2.888 19562 6166 1 12 . 1 1 109 109 SER CB C 109 63.150 63.150 62.767 0.383 19562 6167 1 12 . 1 1 109 109 SER H H 109 8.215 8.215 8.103 0.112 19562 6168 1 12 . 1 1 110 110 ILE N N 110 121.954 121.954 119.222 2.732 19562 6169 1 12 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.827 0.385 19562 6170 1 12 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.448 -1.562 19562 6171 1 12 . 1 1 110 110 ILE CB C 110 38.235 38.235 37.789 0.446 19562 6172 1 12 . 1 1 110 110 ILE H H 110 8.061 8.061 7.847 0.214 19562 6173 1 12 . 1 1 111 111 ASN N N 111 122.386 122.386 124.293 -1.907 19562 6174 1 12 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.887 -0.105 19562 6175 1 12 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.612 0.122 19562 6176 1 12 . 1 1 111 111 ASN CB C 111 38.800 38.800 39.723 -0.923 19562 6177 1 12 . 1 1 111 111 ASN H H 111 8.376 8.376 8.165 0.211 19562 6178 1 12 . 1 1 112 112 VAL N N 112 120.830 120.830 125.961 -5.131 19562 6179 1 12 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.175 0.010 19562 6180 1 12 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.615 -0.955 19562 6181 1 12 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.641 0.689 19562 6182 1 12 . 1 1 112 112 VAL H H 112 8.067 8.067 8.517 -0.450 19562 6183 1 12 . 1 1 113 113 VAL N N 113 124.249 124.249 119.899 4.350 19562 6184 1 12 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.716 0.400 19562 6185 1 12 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.296 -1.846 19562 6186 1 12 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.559 -0.214 19562 6187 1 12 . 1 1 113 113 VAL H H 113 8.167 8.167 7.420 0.747 19562 6188 1 12 . 1 1 114 114 GLU N N 114 125.288 125.288 118.926 6.362 19562 6189 1 12 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.064 0.245 19562 6190 1 12 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.093 -1.403 19562 6191 1 12 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.128 0.922 19562 6192 1 12 . 1 1 114 114 GLU H H 114 8.405 8.405 8.378 0.027 19562 6193 1 12 . 1 1 115 115 GLU N N 115 123.990 123.990 123.273 0.717 19562 6194 1 12 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.323 0.240 19562 6195 1 12 . 1 1 115 115 GLU CA C 115 53.725 53.725 55.484 -1.759 19562 6196 1 12 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.794 -0.359 19562 6197 1 12 . 1 1 115 115 GLU H H 115 8.392 8.392 8.437 -0.045 19562 6198 1 12 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.352 0.078 19562 6199 1 12 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.619 0.051 19562 6200 1 12 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.599 1.056 19562 6201 1 12 . 1 1 117 117 VAL N N 117 121.339 121.339 116.569 4.770 19562 6202 1 12 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.773 0.303 19562 6203 1 12 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.543 -0.553 19562 6204 1 12 . 1 1 117 117 VAL CB C 117 31.820 31.820 32.040 -0.220 19562 6205 1 12 . 1 1 117 117 VAL H H 117 8.266 8.266 7.944 0.322 19562 6206 1 12 . 1 1 118 118 VAL N N 118 124.762 124.762 124.574 0.188 19562 6207 1 12 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.094 0.022 19562 6208 1 12 . 1 1 118 118 VAL H H 118 8.202 8.202 8.309 -0.107 19562 6209 1 12 . 1 1 119 119 GLU N N 119 125.304 125.304 128.428 -3.124 19562 6210 1 12 . 1 1 119 119 GLU H H 119 8.479 8.479 9.174 -0.695 19562 6211 1 12 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.061 0.334 19562 6212 1 12 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.581 -1.231 19562 6213 1 12 . 1 1 120 120 ARG CB C 120 30.565 30.565 28.452 2.113 19562 6214 1 12 . 1 1 121 121 ASN N N 121 120.465 120.465 119.027 1.438 19562 6215 1 12 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.742 0.012 19562 6216 1 12 . 1 1 121 121 ASN H H 121 8.536 8.536 8.620 -0.084 19562 6217 1 13 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.291 0.328 19562 6218 1 13 . 1 1 9 9 HIS CA C 9 56.148 56.148 57.167 -1.019 19562 6219 1 13 . 1 1 9 9 HIS CB C 9 29.609 29.609 28.535 1.074 19562 6220 1 13 . 1 1 10 10 MET N N 10 120.964 120.964 118.430 2.534 19562 6221 1 13 . 1 1 10 10 MET HA H 10 4.395 4.395 4.496 -0.101 19562 6222 1 13 . 1 1 10 10 MET CA C 10 55.153 55.153 55.975 -0.822 19562 6223 1 13 . 1 1 10 10 MET CB C 10 32.293 32.293 33.497 -1.204 19562 6224 1 13 . 1 1 10 10 MET H H 10 8.274 8.274 7.956 0.318 19562 6225 1 13 . 1 1 11 11 ASP N N 11 120.989 120.989 119.250 1.739 19562 6226 1 13 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.673 0.073 19562 6227 1 13 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.839 -0.639 19562 6228 1 13 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.122 -0.922 19562 6229 1 13 . 1 1 11 11 ASP H H 11 8.281 8.281 8.197 0.084 19562 6230 1 13 . 1 1 12 12 THR N N 12 113.244 113.244 114.128 -0.884 19562 6231 1 13 . 1 1 12 12 THR HA H 12 4.312 4.312 4.087 0.225 19562 6232 1 13 . 1 1 12 12 THR CA C 12 61.218 61.218 62.987 -1.769 19562 6233 1 13 . 1 1 12 12 THR CB C 12 69.316 69.316 68.965 0.351 19562 6234 1 13 . 1 1 12 12 THR H H 12 7.979 7.979 8.089 -0.110 19562 6235 1 13 . 1 1 13 13 VAL N N 13 123.579 123.579 120.572 3.007 19562 6236 1 13 . 1 1 13 13 VAL HA H 13 4.404 4.404 3.845 0.559 19562 6237 1 13 . 1 1 13 13 VAL CA C 13 59.234 59.234 62.460 -3.226 19562 6238 1 13 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.631 -0.332 19562 6239 1 13 . 1 1 13 13 VAL H H 13 8.021 8.021 7.985 0.036 19562 6240 1 13 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.692 -0.265 19562 6241 1 13 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.431 0.469 19562 6242 1 13 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.901 -1.111 19562 6243 1 13 . 1 1 15 15 ASP N N 15 120.556 120.556 120.032 0.524 19562 6244 1 13 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.300 0.152 19562 6245 1 13 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.384 -1.963 19562 6246 1 13 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.123 -0.565 19562 6247 1 13 . 1 1 15 15 ASP H H 15 8.471 8.471 8.728 -0.257 19562 6248 1 13 . 1 1 16 16 ASN N N 16 116.991 116.991 115.783 1.208 19562 6249 1 13 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.610 -0.006 19562 6250 1 13 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.554 -0.272 19562 6251 1 13 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.593 -1.862 19562 6252 1 13 . 1 1 16 16 ASN H H 16 8.111 8.111 7.965 0.146 19562 6253 1 13 . 1 1 17 17 HIS N N 17 119.335 119.335 118.535 0.800 19562 6254 1 13 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.648 -0.236 19562 6255 1 13 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.700 0.736 19562 6256 1 13 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.963 -0.954 19562 6257 1 13 . 1 1 17 17 HIS H H 17 8.014 8.014 7.907 0.107 19562 6258 1 13 . 1 1 18 18 ARG N N 18 122.269 122.269 120.316 1.953 19562 6259 1 13 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.881 0.102 19562 6260 1 13 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.893 -1.474 19562 6261 1 13 . 1 1 18 18 ARG CB C 18 29.781 29.781 29.711 0.070 19562 6262 1 13 . 1 1 18 18 ARG H H 18 8.209 8.209 8.819 -0.610 19562 6263 1 13 . 1 1 19 19 ASN N N 19 114.495 114.495 114.649 -0.154 19562 6264 1 13 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.214 0.501 19562 6265 1 13 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.511 -1.788 19562 6266 1 13 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.685 -0.651 19562 6267 1 13 . 1 1 19 19 ASN H H 19 8.565 8.565 8.088 0.477 19562 6268 1 13 . 1 1 20 20 LYS N N 20 117.932 117.932 120.322 -2.390 19562 6269 1 13 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.072 1.185 19562 6270 1 13 . 1 1 20 20 LYS CA C 20 54.736 54.736 54.850 -0.114 19562 6271 1 13 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.226 3.789 19562 6272 1 13 . 1 1 20 20 LYS H H 20 7.040 7.040 6.439 0.601 19562 6273 1 13 . 1 1 21 21 PHE N N 21 120.620 120.620 127.850 -7.230 19562 6274 1 13 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.591 -0.082 19562 6275 1 13 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.546 1.375 19562 6276 1 13 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.648 0.550 19562 6277 1 13 . 1 1 21 21 PHE H H 21 9.389 9.389 8.120 1.269 19562 6278 1 13 . 1 1 22 22 LYS N N 22 125.637 125.637 127.178 -1.541 19562 6279 1 13 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.440 0.297 19562 6280 1 13 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.924 1.048 19562 6281 1 13 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.105 0.201 19562 6282 1 13 . 1 1 22 22 LYS H H 22 9.258 9.258 8.934 0.324 19562 6283 1 13 . 1 1 23 23 VAL N N 23 118.282 118.282 119.073 -0.791 19562 6284 1 13 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.419 1.208 19562 6285 1 13 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.505 -1.120 19562 6286 1 13 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.856 2.660 19562 6287 1 13 . 1 1 23 23 VAL H H 23 8.672 8.672 8.171 0.501 19562 6288 1 13 . 1 1 24 24 ILE N N 24 120.397 120.397 118.550 1.847 19562 6289 1 13 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.512 0.301 19562 6290 1 13 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.998 0.163 19562 6291 1 13 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.875 1.193 19562 6292 1 13 . 1 1 24 24 ILE H H 24 8.824 8.824 8.067 0.757 19562 6293 1 13 . 1 1 25 25 ASN N N 25 127.655 127.655 126.161 1.494 19562 6294 1 13 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.867 -0.366 19562 6295 1 13 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.008 1.193 19562 6296 1 13 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.621 0.899 19562 6297 1 13 . 1 1 25 25 ASN H H 25 9.232 9.232 8.648 0.584 19562 6298 1 13 . 1 1 26 26 VAL N N 26 116.322 116.322 115.851 0.471 19562 6299 1 13 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.325 0.217 19562 6300 1 13 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.365 -1.593 19562 6301 1 13 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.620 0.650 19562 6302 1 13 . 1 1 26 26 VAL H H 26 7.680 7.680 7.430 0.250 19562 6303 1 13 . 1 1 27 27 ASP N N 27 117.000 117.000 125.268 -8.268 19562 6304 1 13 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.873 -0.780 19562 6305 1 13 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.301 -2.339 19562 6306 1 13 . 1 1 27 27 ASP H H 27 7.500 7.500 8.071 -0.571 19562 6307 1 13 . 1 1 28 28 ASP N N 28 112.540 112.540 124.906 -12.366 19562 6308 1 13 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.286 -0.115 19562 6309 1 13 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.091 0.207 19562 6310 1 13 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.946 -0.862 19562 6311 1 13 . 1 1 28 28 ASP H H 28 7.922 7.922 8.967 -1.045 19562 6312 1 13 . 1 1 29 29 ASP N N 29 115.319 115.319 116.541 -1.222 19562 6313 1 13 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.645 0.100 19562 6314 1 13 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.868 -0.417 19562 6315 1 13 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.342 0.663 19562 6316 1 13 . 1 1 29 29 ASP H H 29 7.809 7.809 7.952 -0.143 19562 6317 1 13 . 1 1 30 30 GLY N N 30 108.887 108.887 108.938 -0.051 19562 6318 1 13 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.255 -0.766 19562 6319 1 13 . 1 1 30 30 GLY H H 30 8.196 8.196 8.232 -0.036 19562 6320 1 13 . 1 1 31 31 ASN N N 31 119.906 119.906 119.119 0.787 19562 6321 1 13 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.720 -0.237 19562 6322 1 13 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.365 0.836 19562 6323 1 13 . 1 1 31 31 ASN CB C 31 37.611 37.611 38.975 -1.364 19562 6324 1 13 . 1 1 31 31 ASN H H 31 8.643 8.643 7.847 0.796 19562 6325 1 13 . 1 1 32 32 GLU N N 32 119.114 119.114 127.841 -8.727 19562 6326 1 13 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.290 -0.391 19562 6327 1 13 . 1 1 32 32 GLU CA C 32 57.461 57.461 56.791 0.670 19562 6328 1 13 . 1 1 32 32 GLU H H 32 8.525 8.525 8.800 -0.275 19562 6329 1 13 . 1 1 33 33 LEU N N 33 126.117 126.117 123.046 3.071 19562 6330 1 13 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.147 0.462 19562 6331 1 13 . 1 1 33 33 LEU CA C 33 52.925 52.925 55.947 -3.022 19562 6332 1 13 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.838 -1.082 19562 6333 1 13 . 1 1 33 33 LEU H H 33 8.817 8.817 8.548 0.269 19562 6334 1 13 . 1 1 34 34 GLY N N 34 108.970 108.970 104.048 4.922 19562 6335 1 13 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.835 0.154 19562 6336 1 13 . 1 1 34 34 GLY H H 34 8.228 8.228 7.571 0.657 19562 6337 1 13 . 1 1 35 35 SER N N 35 118.388 118.388 116.847 1.541 19562 6338 1 13 . 1 1 35 35 SER HA H 35 5.465 5.465 4.864 0.601 19562 6339 1 13 . 1 1 35 35 SER CA C 35 57.205 57.205 58.245 -1.040 19562 6340 1 13 . 1 1 35 35 SER CB C 35 65.393 65.393 64.407 0.986 19562 6341 1 13 . 1 1 35 35 SER H H 35 8.776 8.776 8.578 0.198 19562 6342 1 13 . 1 1 36 36 GLY N N 36 109.081 109.081 110.166 -1.085 19562 6343 1 13 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.444 2.041 19562 6344 1 13 . 1 1 36 36 GLY H H 36 9.013 9.013 8.221 0.792 19562 6345 1 13 . 1 1 37 37 ILE N N 37 121.560 121.560 118.874 2.686 19562 6346 1 13 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.520 0.584 19562 6347 1 13 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.651 -1.529 19562 6348 1 13 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.175 -0.710 19562 6349 1 13 . 1 1 37 37 ILE H H 37 8.779 8.779 8.614 0.165 19562 6350 1 13 . 1 1 38 38 MET N N 38 128.553 128.553 122.343 6.210 19562 6351 1 13 . 1 1 38 38 MET HA H 38 5.735 5.735 4.812 0.923 19562 6352 1 13 . 1 1 38 38 MET CA C 38 53.008 53.008 53.728 -0.720 19562 6353 1 13 . 1 1 38 38 MET CB C 38 36.446 36.446 34.407 2.039 19562 6354 1 13 . 1 1 38 38 MET H H 38 9.827 9.827 9.241 0.586 19562 6355 1 13 . 1 1 39 39 GLU N N 39 129.378 129.378 127.668 1.710 19562 6356 1 13 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.524 0.976 19562 6357 1 13 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.511 -2.056 19562 6358 1 13 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.697 4.839 19562 6359 1 13 . 1 1 39 39 GLU H H 39 10.160 10.160 9.191 0.969 19562 6360 1 13 . 1 1 40 40 LEU N N 40 127.174 127.174 130.059 -2.885 19562 6361 1 13 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.436 0.642 19562 6362 1 13 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.416 -0.976 19562 6363 1 13 . 1 1 40 40 LEU CB C 40 42.013 42.013 42.016 -0.003 19562 6364 1 13 . 1 1 40 40 LEU H H 40 8.334 8.334 8.948 -0.614 19562 6365 1 13 . 1 1 41 41 THR N N 41 115.971 115.971 117.299 -1.328 19562 6366 1 13 . 1 1 41 41 THR HA H 41 5.012 5.012 4.630 0.382 19562 6367 1 13 . 1 1 41 41 THR CA C 41 59.113 59.113 59.335 -0.222 19562 6368 1 13 . 1 1 41 41 THR CB C 41 69.295 69.295 70.871 -1.576 19562 6369 1 13 . 1 1 41 41 THR H H 41 8.682 8.682 8.005 0.677 19562 6370 1 13 . 1 1 42 42 ASP N N 42 117.467 117.467 117.456 0.011 19562 6371 1 13 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.182 0.433 19562 6372 1 13 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.057 -0.365 19562 6373 1 13 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.543 -0.752 19562 6374 1 13 . 1 1 42 42 ASP H H 42 8.794 8.794 8.488 0.306 19562 6375 1 13 . 1 1 43 43 THR N N 43 104.010 104.010 105.773 -1.763 19562 6376 1 13 . 1 1 43 43 THR HA H 43 4.412 4.412 3.500 0.912 19562 6377 1 13 . 1 1 43 43 THR CA C 43 61.601 61.601 61.094 0.507 19562 6378 1 13 . 1 1 43 43 THR CB C 43 71.362 71.362 70.446 0.916 19562 6379 1 13 . 1 1 43 43 THR H H 43 7.763 7.763 7.293 0.470 19562 6380 1 13 . 1 1 44 44 GLU N N 44 118.980 118.980 121.763 -2.783 19562 6381 1 13 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.018 -0.848 19562 6382 1 13 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.119 -1.179 19562 6383 1 13 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.297 0.190 19562 6384 1 13 . 1 1 44 44 GLU H H 44 7.263 7.263 7.925 -0.662 19562 6385 1 13 . 1 1 45 45 LEU N N 45 122.138 122.138 128.358 -6.220 19562 6386 1 13 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.729 0.243 19562 6387 1 13 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.778 -1.057 19562 6388 1 13 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.499 1.739 19562 6389 1 13 . 1 1 45 45 LEU H H 45 8.314 8.314 9.389 -1.075 19562 6390 1 13 . 1 1 46 46 ILE N N 46 124.244 124.244 126.544 -2.300 19562 6391 1 13 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.512 0.212 19562 6392 1 13 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.865 1.445 19562 6393 1 13 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.225 4.265 19562 6394 1 13 . 1 1 46 46 ILE H H 46 9.154 9.154 9.124 0.030 19562 6395 1 13 . 1 1 47 47 LEU N N 47 127.510 127.510 131.098 -3.588 19562 6396 1 13 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.909 0.357 19562 6397 1 13 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.439 -1.733 19562 6398 1 13 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.356 2.380 19562 6399 1 13 . 1 1 47 47 LEU H H 47 9.378 9.378 8.452 0.926 19562 6400 1 13 . 1 1 48 48 TYR N N 48 128.014 128.014 126.533 1.481 19562 6401 1 13 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.766 0.268 19562 6402 1 13 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.020 0.416 19562 6403 1 13 . 1 1 48 48 TYR CB C 48 38.791 38.791 37.052 1.739 19562 6404 1 13 . 1 1 48 48 TYR H H 48 9.724 9.724 8.947 0.777 19562 6405 1 13 . 1 1 49 49 THR N N 49 115.097 115.097 117.595 -2.498 19562 6406 1 13 . 1 1 49 49 THR HA H 49 4.813 4.813 4.515 0.298 19562 6407 1 13 . 1 1 49 49 THR CA C 49 60.349 60.349 60.686 -0.337 19562 6408 1 13 . 1 1 49 49 THR CB C 49 70.967 70.967 70.508 0.459 19562 6409 1 13 . 1 1 49 49 THR H H 49 8.659 8.659 7.834 0.825 19562 6410 1 13 . 1 1 50 50 ARG N N 50 120.411 120.411 120.559 -0.148 19562 6411 1 13 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.233 -0.034 19562 6412 1 13 . 1 1 50 50 ARG CA C 50 57.447 57.447 59.027 -1.580 19562 6413 1 13 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.198 -0.424 19562 6414 1 13 . 1 1 50 50 ARG H H 50 8.649 8.649 8.659 -0.010 19562 6415 1 13 . 1 1 51 51 LYS N N 51 117.579 117.579 117.360 0.219 19562 6416 1 13 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.512 -0.349 19562 6417 1 13 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.468 0.210 19562 6418 1 13 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.313 -0.956 19562 6419 1 13 . 1 1 51 51 LYS H H 51 8.406 8.406 8.138 0.268 19562 6420 1 13 . 1 1 52 52 ARG N N 52 116.662 116.662 121.725 -5.063 19562 6421 1 13 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.282 0.160 19562 6422 1 13 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.655 -1.350 19562 6423 1 13 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.928 0.822 19562 6424 1 13 . 1 1 52 52 ARG H H 52 7.973 7.973 7.984 -0.011 19562 6425 1 13 . 1 1 53 53 ASP N N 53 119.760 119.760 115.812 3.948 19562 6426 1 13 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.377 0.383 19562 6427 1 13 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.900 -1.009 19562 6428 1 13 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.174 -0.167 19562 6429 1 13 . 1 1 53 53 ASP H H 53 8.066 8.066 7.858 0.208 19562 6430 1 13 . 1 1 54 54 SER N N 54 116.756 116.756 117.054 -0.298 19562 6431 1 13 . 1 1 54 54 SER HA H 54 4.891 4.891 4.331 0.560 19562 6432 1 13 . 1 1 54 54 SER CA C 54 57.072 57.072 59.444 -2.372 19562 6433 1 13 . 1 1 54 54 SER CB C 54 64.473 64.473 61.562 2.911 19562 6434 1 13 . 1 1 54 54 SER H H 54 8.477 8.477 8.355 0.122 19562 6435 1 13 . 1 1 55 55 VAL N N 55 122.716 122.716 125.262 -2.546 19562 6436 1 13 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.869 0.079 19562 6437 1 13 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.228 -2.772 19562 6438 1 13 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.503 1.035 19562 6439 1 13 . 1 1 55 55 VAL H H 55 8.334 8.334 9.018 -0.684 19562 6440 1 13 . 1 1 56 56 LYS N N 56 121.568 121.568 119.369 2.199 19562 6441 1 13 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.948 0.323 19562 6442 1 13 . 1 1 56 56 LYS CA C 56 53.691 53.691 53.885 -0.193 19562 6443 1 13 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.946 0.857 19562 6444 1 13 . 1 1 56 56 LYS H H 56 7.501 7.501 8.299 -0.798 19562 6445 1 13 . 1 1 57 57 TRP N N 57 123.638 123.638 122.668 0.970 19562 6446 1 13 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.859 -0.194 19562 6447 1 13 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.208 1.554 19562 6448 1 13 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.076 0.474 19562 6449 1 13 . 1 1 57 57 TRP H H 57 9.453 9.453 9.042 0.411 19562 6450 1 13 . 1 1 58 58 HIS N N 58 125.312 125.312 125.671 -0.359 19562 6451 1 13 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.006 -0.467 19562 6452 1 13 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.750 -0.566 19562 6453 1 13 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.305 -0.980 19562 6454 1 13 . 1 1 58 58 HIS H H 58 9.024 9.024 8.746 0.278 19562 6455 1 13 . 1 1 59 59 TYR N N 59 126.691 126.691 123.668 3.023 19562 6456 1 13 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.242 0.110 19562 6457 1 13 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.897 -0.198 19562 6458 1 13 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.176 -1.649 19562 6459 1 13 . 1 1 59 59 TYR H H 59 8.079 8.079 8.668 -0.589 19562 6460 1 13 . 1 1 60 60 LEU N N 60 114.859 114.859 117.507 -2.648 19562 6461 1 13 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.385 -0.148 19562 6462 1 13 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.010 1.089 19562 6463 1 13 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.536 0.018 19562 6464 1 13 . 1 1 60 60 LEU H H 60 9.307 9.307 8.126 1.181 19562 6465 1 13 . 1 1 61 61 CYS N N 61 114.415 114.415 116.479 -2.064 19562 6466 1 13 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.602 0.644 19562 6467 1 13 . 1 1 61 61 CYS CA C 61 57.433 57.433 57.873 -0.441 19562 6468 1 13 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.688 -2.622 19562 6469 1 13 . 1 1 61 61 CYS H H 61 8.421 8.421 7.742 0.679 19562 6470 1 13 . 1 1 62 62 LEU N N 62 122.413 122.413 122.705 -0.292 19562 6471 1 13 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.466 0.281 19562 6472 1 13 . 1 1 62 62 LEU CA C 62 54.438 54.438 57.333 -2.895 19562 6473 1 13 . 1 1 62 62 LEU CB C 62 41.039 41.039 41.325 -0.286 19562 6474 1 13 . 1 1 62 62 LEU H H 62 7.702 7.702 7.420 0.282 19562 6475 1 13 . 1 1 63 63 ARG N N 63 122.839 122.839 122.539 0.300 19562 6476 1 13 . 1 1 63 63 ARG H H 63 9.301 9.301 9.217 0.084 19562 6477 1 13 . 1 1 64 64 ARG N N 64 111.512 111.512 119.242 -7.730 19562 6478 1 13 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.743 0.743 19562 6479 1 13 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.230 -1.585 19562 6480 1 13 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.784 3.221 19562 6481 1 13 . 1 1 64 64 ARG H H 64 7.457 7.457 7.682 -0.225 19562 6482 1 13 . 1 1 65 65 TYR N N 65 115.127 115.127 120.161 -5.034 19562 6483 1 13 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.191 0.349 19562 6484 1 13 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.202 0.987 19562 6485 1 13 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.843 -1.329 19562 6486 1 13 . 1 1 65 65 TYR H H 65 8.340 8.340 8.503 -0.163 19562 6487 1 13 . 1 1 66 66 GLY N N 66 104.938 104.938 108.645 -3.707 19562 6488 1 13 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.531 2.369 19562 6489 1 13 . 1 1 66 66 GLY H H 66 8.950 8.950 8.624 0.326 19562 6490 1 13 . 1 1 67 67 TYR N N 67 117.143 117.143 119.885 -2.742 19562 6491 1 13 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.562 0.000 19562 6492 1 13 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.875 -1.390 19562 6493 1 13 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.430 1.917 19562 6494 1 13 . 1 1 67 67 TYR H H 67 8.022 8.022 7.912 0.110 19562 6495 1 13 . 1 1 68 68 ASP N N 68 119.290 119.290 125.336 -6.046 19562 6496 1 13 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.238 -0.408 19562 6497 1 13 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.788 3.655 19562 6498 1 13 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.666 2.350 19562 6499 1 13 . 1 1 68 68 ASP H H 68 8.656 8.656 9.054 -0.398 19562 6500 1 13 . 1 1 69 69 SER N N 69 119.561 119.561 117.549 2.012 19562 6501 1 13 . 1 1 69 69 SER HA H 69 4.040 4.040 4.221 -0.181 19562 6502 1 13 . 1 1 69 69 SER CB C 69 59.170 59.170 62.336 -3.166 19562 6503 1 13 . 1 1 69 69 SER H H 69 8.957 8.957 8.509 0.448 19562 6504 1 13 . 1 1 70 70 ASN N N 70 119.438 119.438 115.737 3.701 19562 6505 1 13 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.506 0.626 19562 6506 1 13 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.144 -2.156 19562 6507 1 13 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.100 0.178 19562 6508 1 13 . 1 1 70 70 ASN H H 70 8.502 8.502 8.696 -0.194 19562 6509 1 13 . 1 1 71 71 LEU N N 71 120.481 120.481 119.047 1.434 19562 6510 1 13 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.912 0.653 19562 6511 1 13 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.031 -0.579 19562 6512 1 13 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.505 1.230 19562 6513 1 13 . 1 1 71 71 LEU H H 71 8.807 8.807 8.508 0.299 19562 6514 1 13 . 1 1 72 72 PHE N N 72 120.815 120.815 127.012 -6.197 19562 6515 1 13 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.454 0.073 19562 6516 1 13 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.328 -0.144 19562 6517 1 13 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.639 1.224 19562 6518 1 13 . 1 1 72 72 PHE H H 72 9.439 9.439 9.694 -0.255 19562 6519 1 13 . 1 1 73 73 SER N N 73 120.270 120.270 118.779 1.491 19562 6520 1 13 . 1 1 73 73 SER HA H 73 5.387 5.387 4.185 1.202 19562 6521 1 13 . 1 1 73 73 SER CA C 73 54.994 54.994 55.151 -0.158 19562 6522 1 13 . 1 1 73 73 SER CB C 73 66.409 66.409 65.663 0.746 19562 6523 1 13 . 1 1 73 73 SER H H 73 8.597 8.597 8.178 0.419 19562 6524 1 13 . 1 1 74 74 PHE N N 74 117.157 117.157 117.124 0.033 19562 6525 1 13 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.387 -0.126 19562 6526 1 13 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.710 -0.011 19562 6527 1 13 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.173 0.730 19562 6528 1 13 . 1 1 74 74 PHE H H 74 8.050 8.050 7.798 0.252 19562 6529 1 13 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.987 0.749 19562 6530 1 13 . 1 1 75 75 GLU CA C 75 51.709 51.709 55.598 -3.889 19562 6531 1 13 . 1 1 75 75 GLU CB C 75 31.820 31.820 32.034 -0.214 19562 6532 1 13 . 1 1 76 76 SER N N 76 123.656 123.656 122.924 0.732 19562 6533 1 13 . 1 1 76 76 SER HA H 76 5.243 5.243 5.765 -0.522 19562 6534 1 13 . 1 1 76 76 SER CA C 76 56.906 56.906 56.310 0.596 19562 6535 1 13 . 1 1 76 76 SER CB C 76 67.886 67.886 66.131 1.755 19562 6536 1 13 . 1 1 76 76 SER H H 76 9.930 9.930 9.000 0.930 19562 6537 1 13 . 1 1 77 77 GLY N N 77 105.906 105.906 110.777 -4.871 19562 6538 1 13 . 1 1 77 77 GLY CA C 77 45.000 45.000 43.540 1.460 19562 6539 1 13 . 1 1 77 77 GLY H H 77 8.939 8.939 9.028 -0.089 19562 6540 1 13 . 1 1 78 78 ARG N N 78 114.676 114.676 117.057 -2.381 19562 6541 1 13 . 1 1 78 78 ARG HA H 78 4.017 4.017 3.847 0.170 19562 6542 1 13 . 1 1 78 78 ARG H H 78 9.680 9.680 8.779 0.901 19562 6543 1 13 . 1 1 79 79 ARG N N 79 121.801 121.801 115.903 5.898 19562 6544 1 13 . 1 1 79 79 ARG HA H 79 4.573 4.573 3.990 0.583 19562 6545 1 13 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.642 -2.714 19562 6546 1 13 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.556 -3.486 19562 6547 1 13 . 1 1 79 79 ARG H H 79 9.389 9.389 8.300 1.089 19562 6548 1 13 . 1 1 80 80 CYS N N 80 113.901 113.901 114.270 -0.369 19562 6549 1 13 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.478 0.410 19562 6550 1 13 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.779 -1.814 19562 6551 1 13 . 1 1 80 80 CYS CB C 80 29.598 29.598 28.914 0.684 19562 6552 1 13 . 1 1 80 80 CYS H H 80 7.994 7.994 8.014 -0.020 19562 6553 1 13 . 1 1 81 81 GLN N N 81 122.839 122.839 123.763 -0.924 19562 6554 1 13 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.915 0.181 19562 6555 1 13 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.807 0.132 19562 6556 1 13 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.595 -0.255 19562 6557 1 13 . 1 1 81 81 GLN H H 81 8.950 8.950 8.790 0.160 19562 6558 1 13 . 1 1 82 82 THR N N 82 107.297 107.297 108.892 -1.595 19562 6559 1 13 . 1 1 82 82 THR HA H 82 4.207 4.207 4.377 -0.170 19562 6560 1 13 . 1 1 82 82 THR CA C 82 63.147 63.147 60.592 2.555 19562 6561 1 13 . 1 1 82 82 THR CB C 82 70.591 70.591 68.914 1.677 19562 6562 1 13 . 1 1 82 82 THR H H 82 8.345 8.345 8.192 0.153 19562 6563 1 13 . 1 1 83 83 GLY N N 83 112.681 112.681 108.843 3.838 19562 6564 1 13 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.701 -1.707 19562 6565 1 13 . 1 1 83 83 GLY H H 83 7.820 7.820 7.747 0.073 19562 6566 1 13 . 1 1 84 84 GLN N N 84 119.972 119.972 116.431 3.541 19562 6567 1 13 . 1 1 84 84 GLN H H 84 8.622 8.622 8.238 0.384 19562 6568 1 13 . 1 1 85 85 GLY N N 85 111.040 111.040 104.655 6.385 19562 6569 1 13 . 1 1 85 85 GLY H H 85 8.056 8.056 8.119 -0.063 19562 6570 1 13 . 1 1 86 86 ILE N N 86 121.645 121.645 124.571 -2.926 19562 6571 1 13 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.322 -0.036 19562 6572 1 13 . 1 1 86 86 ILE CA C 86 60.162 60.162 60.708 -0.546 19562 6573 1 13 . 1 1 86 86 ILE CB C 86 38.542 38.542 35.737 2.805 19562 6574 1 13 . 1 1 86 86 ILE H H 86 8.021 8.021 8.298 -0.277 19562 6575 1 13 . 1 1 87 87 PHE N N 87 123.890 123.890 130.006 -6.116 19562 6576 1 13 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.484 0.142 19562 6577 1 13 . 1 1 87 87 PHE CA C 87 54.944 54.944 55.047 -0.103 19562 6578 1 13 . 1 1 87 87 PHE CB C 87 42.003 42.003 40.996 1.007 19562 6579 1 13 . 1 1 87 87 PHE H H 87 8.476 8.476 8.811 -0.335 19562 6580 1 13 . 1 1 88 88 ALA N N 88 124.824 124.824 128.981 -4.157 19562 6581 1 13 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.959 1.322 19562 6582 1 13 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.644 0.560 19562 6583 1 13 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.082 1.253 19562 6584 1 13 . 1 1 88 88 ALA H H 88 9.149 9.149 8.041 1.108 19562 6585 1 13 . 1 1 89 89 PHE N N 89 118.047 118.047 118.251 -0.204 19562 6586 1 13 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.954 0.491 19562 6587 1 13 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.842 -0.137 19562 6588 1 13 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.772 0.724 19562 6589 1 13 . 1 1 89 89 PHE H H 89 9.423 9.423 8.924 0.499 19562 6590 1 13 . 1 1 90 90 LYS N N 90 122.937 122.937 124.972 -2.035 19562 6591 1 13 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.538 0.967 19562 6592 1 13 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.425 -1.597 19562 6593 1 13 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.768 2.245 19562 6594 1 13 . 1 1 90 90 LYS H H 90 9.943 9.943 8.956 0.987 19562 6595 1 13 . 1 1 91 91 CYS N N 91 126.115 126.115 122.770 3.345 19562 6596 1 13 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.608 0.145 19562 6597 1 13 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.155 1.020 19562 6598 1 13 . 1 1 91 91 CYS CB C 91 28.809 28.809 30.015 -1.206 19562 6599 1 13 . 1 1 91 91 CYS H H 91 9.689 9.689 8.299 1.390 19562 6600 1 13 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.171 0.260 19562 6601 1 13 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.261 0.448 19562 6602 1 13 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.461 -0.598 19562 6603 1 13 . 1 1 93 93 ARG N N 93 117.248 117.248 117.953 -0.705 19562 6604 1 13 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.193 0.819 19562 6605 1 13 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.159 0.798 19562 6606 1 13 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.836 2.967 19562 6607 1 13 . 1 1 93 93 ARG H H 93 7.964 7.964 7.537 0.427 19562 6608 1 13 . 1 1 94 94 ALA N N 94 122.369 122.369 124.049 -1.680 19562 6609 1 13 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.966 -0.443 19562 6610 1 13 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.534 -0.563 19562 6611 1 13 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.785 -0.689 19562 6612 1 13 . 1 1 94 94 ALA H H 94 7.310 7.310 8.102 -0.792 19562 6613 1 13 . 1 1 95 95 GLU N N 95 116.205 116.205 118.199 -1.994 19562 6614 1 13 . 1 1 95 95 GLU HA H 95 2.480 2.480 3.067 -0.587 19562 6615 1 13 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.394 -0.698 19562 6616 1 13 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.692 1.369 19562 6617 1 13 . 1 1 95 95 GLU H H 95 8.376 8.376 8.709 -0.333 19562 6618 1 13 . 1 1 96 96 GLU N N 96 119.188 119.188 120.422 -1.234 19562 6619 1 13 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.057 -0.090 19562 6620 1 13 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.842 0.058 19562 6621 1 13 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.084 0.946 19562 6622 1 13 . 1 1 96 96 GLU H H 96 7.418 7.418 8.024 -0.606 19562 6623 1 13 . 1 1 97 97 LEU N N 97 123.654 123.654 120.908 2.746 19562 6624 1 13 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.153 -1.139 19562 6625 1 13 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.391 0.329 19562 6626 1 13 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.934 -0.920 19562 6627 1 13 . 1 1 97 97 LEU H H 97 7.847 7.847 8.644 -0.797 19562 6628 1 13 . 1 1 98 98 PHE N N 98 118.746 118.746 119.614 -0.868 19562 6629 1 13 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.315 -0.522 19562 6630 1 13 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.456 0.240 19562 6631 1 13 . 1 1 98 98 PHE H H 98 8.076 8.076 9.104 -1.028 19562 6632 1 13 . 1 1 99 99 ASN N N 99 117.017 117.017 118.598 -1.581 19562 6633 1 13 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.211 0.009 19562 6634 1 13 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.910 -0.444 19562 6635 1 13 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.519 -1.238 19562 6636 1 13 . 1 1 99 99 ASN H H 99 8.622 8.622 8.332 0.290 19562 6637 1 13 . 1 1 100 100 MET N N 100 121.914 121.914 120.291 1.623 19562 6638 1 13 . 1 1 100 100 MET HA H 100 4.061 4.061 4.020 0.041 19562 6639 1 13 . 1 1 100 100 MET CA C 100 58.699 58.699 59.427 -0.728 19562 6640 1 13 . 1 1 100 100 MET CB C 100 32.048 32.048 32.601 -0.553 19562 6641 1 13 . 1 1 100 100 MET H H 100 8.316 8.316 8.386 -0.070 19562 6642 1 13 . 1 1 101 101 LEU N N 101 121.094 121.094 120.402 0.692 19562 6643 1 13 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.084 -0.504 19562 6644 1 13 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.118 -0.692 19562 6645 1 13 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.400 -0.300 19562 6646 1 13 . 1 1 101 101 LEU H H 101 8.047 8.047 8.705 -0.658 19562 6647 1 13 . 1 1 102 102 GLN N N 102 116.417 116.417 117.194 -0.777 19562 6648 1 13 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.104 -0.190 19562 6649 1 13 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.813 -0.367 19562 6650 1 13 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.248 0.439 19562 6651 1 13 . 1 1 102 102 GLN H H 102 8.195 8.195 8.431 -0.236 19562 6652 1 13 . 1 1 103 103 GLU N N 103 119.096 119.096 119.962 -0.866 19562 6653 1 13 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.110 -0.202 19562 6654 1 13 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.756 0.161 19562 6655 1 13 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.450 -0.389 19562 6656 1 13 . 1 1 103 103 GLU H H 103 7.635 7.635 8.376 -0.741 19562 6657 1 13 . 1 1 104 104 ILE N N 104 120.803 120.803 121.744 -0.941 19562 6658 1 13 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.617 -0.016 19562 6659 1 13 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.529 -0.820 19562 6660 1 13 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.858 0.193 19562 6661 1 13 . 1 1 104 104 ILE H H 104 7.965 7.965 8.801 -0.836 19562 6662 1 13 . 1 1 105 105 MET N N 105 117.016 117.016 117.891 -0.875 19562 6663 1 13 . 1 1 105 105 MET HA H 105 4.020 4.020 4.182 -0.162 19562 6664 1 13 . 1 1 105 105 MET CA C 105 57.384 57.384 59.555 -2.171 19562 6665 1 13 . 1 1 105 105 MET H H 105 8.145 8.145 8.463 -0.318 19562 6666 1 13 . 1 1 106 106 GLN N N 106 116.150 116.150 117.249 -1.099 19562 6667 1 13 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.163 0.040 19562 6668 1 13 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.276 -1.635 19562 6669 1 13 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.695 -0.582 19562 6670 1 13 . 1 1 106 106 GLN H H 106 7.930 7.930 7.804 0.126 19562 6671 1 13 . 1 1 107 107 ASN N N 107 117.360 117.360 114.582 2.778 19562 6672 1 13 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.759 -0.039 19562 6673 1 13 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.451 -0.954 19562 6674 1 13 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.687 -1.128 19562 6675 1 13 . 1 1 107 107 ASN H H 107 7.872 7.872 8.316 -0.444 19562 6676 1 13 . 1 1 108 108 ASN N N 108 118.611 118.611 117.327 1.284 19562 6677 1 13 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.906 -0.146 19562 6678 1 13 . 1 1 108 108 ASN CA C 108 52.700 52.700 53.989 -1.289 19562 6679 1 13 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.442 -1.924 19562 6680 1 13 . 1 1 108 108 ASN H H 108 8.144 8.144 8.277 -0.133 19562 6681 1 13 . 1 1 109 109 SER N N 109 115.704 115.704 114.441 1.263 19562 6682 1 13 . 1 1 109 109 SER HA H 109 4.519 4.519 4.149 0.370 19562 6683 1 13 . 1 1 109 109 SER CA C 109 57.700 57.700 60.524 -2.824 19562 6684 1 13 . 1 1 109 109 SER CB C 109 63.150 63.150 62.824 0.326 19562 6685 1 13 . 1 1 109 109 SER H H 109 8.215 8.215 7.975 0.240 19562 6686 1 13 . 1 1 110 110 ILE N N 110 121.954 121.954 120.097 1.857 19562 6687 1 13 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.658 0.554 19562 6688 1 13 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.279 -1.393 19562 6689 1 13 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.335 1.900 19562 6690 1 13 . 1 1 110 110 ILE H H 110 8.061 8.061 7.940 0.121 19562 6691 1 13 . 1 1 111 111 ASN N N 111 122.386 122.386 122.538 -0.152 19562 6692 1 13 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.006 -0.224 19562 6693 1 13 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.621 0.113 19562 6694 1 13 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.200 -2.401 19562 6695 1 13 . 1 1 111 111 ASN H H 111 8.376 8.376 8.505 -0.129 19562 6696 1 13 . 1 1 112 112 VAL N N 112 120.830 120.830 125.556 -4.726 19562 6697 1 13 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.228 -0.043 19562 6698 1 13 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.191 -0.531 19562 6699 1 13 . 1 1 112 112 VAL CB C 112 32.330 32.330 30.666 1.664 19562 6700 1 13 . 1 1 112 112 VAL H H 112 8.067 8.067 8.598 -0.531 19562 6701 1 13 . 1 1 113 113 VAL N N 113 124.249 124.249 121.808 2.441 19562 6702 1 13 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.768 0.347 19562 6703 1 13 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.011 -1.561 19562 6704 1 13 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.493 -0.148 19562 6705 1 13 . 1 1 113 113 VAL H H 113 8.167 8.167 7.588 0.579 19562 6706 1 13 . 1 1 114 114 GLU N N 114 125.288 125.288 118.558 6.730 19562 6707 1 13 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.045 0.264 19562 6708 1 13 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.062 -1.372 19562 6709 1 13 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.333 0.717 19562 6710 1 13 . 1 1 114 114 GLU H H 114 8.405 8.405 8.329 0.076 19562 6711 1 13 . 1 1 115 115 GLU N N 115 123.990 123.990 121.405 2.585 19562 6712 1 13 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.530 0.033 19562 6713 1 13 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.239 -0.514 19562 6714 1 13 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.906 -0.471 19562 6715 1 13 . 1 1 115 115 GLU H H 115 8.392 8.392 8.308 0.084 19562 6716 1 13 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.386 0.044 19562 6717 1 13 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.564 0.106 19562 6718 1 13 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.454 1.201 19562 6719 1 13 . 1 1 117 117 VAL N N 117 121.339 121.339 117.106 4.233 19562 6720 1 13 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.705 0.371 19562 6721 1 13 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.049 -0.059 19562 6722 1 13 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.754 0.066 19562 6723 1 13 . 1 1 117 117 VAL H H 117 8.266 8.266 8.046 0.220 19562 6724 1 13 . 1 1 118 118 VAL N N 118 124.762 124.762 127.442 -2.680 19562 6725 1 13 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.023 0.093 19562 6726 1 13 . 1 1 118 118 VAL H H 118 8.202 8.202 8.392 -0.190 19562 6727 1 13 . 1 1 119 119 GLU N N 119 125.304 125.304 125.372 -0.068 19562 6728 1 13 . 1 1 119 119 GLU H H 119 8.479 8.479 8.184 0.295 19562 6729 1 13 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.249 0.146 19562 6730 1 13 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.251 -0.901 19562 6731 1 13 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.451 0.114 19562 6732 1 13 . 1 1 121 121 ASN N N 121 120.465 120.465 125.995 -5.530 19562 6733 1 13 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.766 -0.012 19562 6734 1 13 . 1 1 121 121 ASN H H 121 8.536 8.536 8.698 -0.162 19562 6735 1 14 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.218 0.401 19562 6736 1 14 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.551 -0.403 19562 6737 1 14 . 1 1 9 9 HIS CB C 9 29.609 29.609 28.645 0.964 19562 6738 1 14 . 1 1 10 10 MET N N 10 120.964 120.964 118.642 2.322 19562 6739 1 14 . 1 1 10 10 MET HA H 10 4.395 4.395 4.373 0.022 19562 6740 1 14 . 1 1 10 10 MET CA C 10 55.153 55.153 57.161 -2.008 19562 6741 1 14 . 1 1 10 10 MET CB C 10 32.293 32.293 33.269 -0.976 19562 6742 1 14 . 1 1 10 10 MET H H 10 8.274 8.274 8.009 0.265 19562 6743 1 14 . 1 1 11 11 ASP N N 11 120.989 120.989 114.207 6.782 19562 6744 1 14 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.797 -0.051 19562 6745 1 14 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.710 0.490 19562 6746 1 14 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.611 -0.411 19562 6747 1 14 . 1 1 11 11 ASP H H 11 8.281 8.281 8.219 0.062 19562 6748 1 14 . 1 1 12 12 THR N N 12 113.244 113.244 113.364 -0.120 19562 6749 1 14 . 1 1 12 12 THR HA H 12 4.312 4.312 4.314 -0.002 19562 6750 1 14 . 1 1 12 12 THR CA C 12 61.218 61.218 61.373 -0.155 19562 6751 1 14 . 1 1 12 12 THR CB C 12 69.316 69.316 67.874 1.442 19562 6752 1 14 . 1 1 12 12 THR H H 12 7.979 7.979 7.846 0.133 19562 6753 1 14 . 1 1 13 13 VAL N N 13 123.579 123.579 124.230 -0.651 19562 6754 1 14 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.034 0.370 19562 6755 1 14 . 1 1 13 13 VAL CA C 13 59.234 59.234 59.841 -0.607 19562 6756 1 14 . 1 1 13 13 VAL CB C 13 32.299 32.299 31.371 0.928 19562 6757 1 14 . 1 1 13 13 VAL H H 13 8.021 8.021 7.469 0.552 19562 6758 1 14 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.707 -0.280 19562 6759 1 14 . 1 1 14 14 PRO CA C 14 62.900 62.900 61.965 0.935 19562 6760 1 14 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.877 -1.087 19562 6761 1 14 . 1 1 15 15 ASP N N 15 120.556 120.556 117.423 3.133 19562 6762 1 14 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.320 0.132 19562 6763 1 14 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.663 -2.241 19562 6764 1 14 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.214 -0.656 19562 6765 1 14 . 1 1 15 15 ASP H H 15 8.471 8.471 8.528 -0.057 19562 6766 1 14 . 1 1 16 16 ASN N N 16 116.991 116.991 113.469 3.522 19562 6767 1 14 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.661 -0.057 19562 6768 1 14 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.545 -0.263 19562 6769 1 14 . 1 1 16 16 ASN CB C 16 37.731 37.731 40.616 -2.885 19562 6770 1 14 . 1 1 16 16 ASN H H 16 8.111 8.111 7.993 0.118 19562 6771 1 14 . 1 1 17 17 HIS N N 17 119.335 119.335 117.302 2.033 19562 6772 1 14 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.816 -0.404 19562 6773 1 14 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.297 1.139 19562 6774 1 14 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.260 -0.251 19562 6775 1 14 . 1 1 17 17 HIS H H 17 8.014 8.014 7.761 0.253 19562 6776 1 14 . 1 1 18 18 ARG N N 18 122.269 122.269 117.862 4.407 19562 6777 1 14 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.965 0.018 19562 6778 1 14 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.706 -1.287 19562 6779 1 14 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.082 -0.301 19562 6780 1 14 . 1 1 18 18 ARG H H 18 8.209 8.209 8.775 -0.566 19562 6781 1 14 . 1 1 19 19 ASN N N 19 114.495 114.495 113.368 1.127 19562 6782 1 14 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.238 0.477 19562 6783 1 14 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.920 -1.197 19562 6784 1 14 . 1 1 19 19 ASN CB C 19 38.034 38.034 39.147 -1.113 19562 6785 1 14 . 1 1 19 19 ASN H H 19 8.565 8.565 7.619 0.946 19562 6786 1 14 . 1 1 20 20 LYS N N 20 117.932 117.932 121.336 -3.404 19562 6787 1 14 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.035 1.222 19562 6788 1 14 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.162 -0.426 19562 6789 1 14 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.056 3.959 19562 6790 1 14 . 1 1 20 20 LYS H H 20 7.040 7.040 6.147 0.893 19562 6791 1 14 . 1 1 21 21 PHE N N 21 120.620 120.620 128.318 -7.698 19562 6792 1 14 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.612 -0.103 19562 6793 1 14 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.430 1.491 19562 6794 1 14 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.546 0.652 19562 6795 1 14 . 1 1 21 21 PHE H H 21 9.389 9.389 8.124 1.265 19562 6796 1 14 . 1 1 22 22 LYS N N 22 125.637 125.637 127.646 -2.009 19562 6797 1 14 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.396 0.341 19562 6798 1 14 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.272 0.700 19562 6799 1 14 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.104 0.202 19562 6800 1 14 . 1 1 22 22 LYS H H 22 9.258 9.258 8.963 0.295 19562 6801 1 14 . 1 1 23 23 VAL N N 23 118.282 118.282 119.025 -0.743 19562 6802 1 14 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.448 1.179 19562 6803 1 14 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.205 -0.820 19562 6804 1 14 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.089 2.427 19562 6805 1 14 . 1 1 23 23 VAL H H 23 8.672 8.672 7.968 0.704 19562 6806 1 14 . 1 1 24 24 ILE N N 24 120.397 120.397 119.162 1.235 19562 6807 1 14 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.500 0.313 19562 6808 1 14 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.697 0.464 19562 6809 1 14 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.378 1.690 19562 6810 1 14 . 1 1 24 24 ILE H H 24 8.824 8.824 8.192 0.632 19562 6811 1 14 . 1 1 25 25 ASN N N 25 127.655 127.655 127.497 0.158 19562 6812 1 14 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.739 -0.238 19562 6813 1 14 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.736 0.465 19562 6814 1 14 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.553 0.967 19562 6815 1 14 . 1 1 25 25 ASN H H 25 9.232 9.232 8.549 0.683 19562 6816 1 14 . 1 1 26 26 VAL N N 26 116.322 116.322 118.735 -2.413 19562 6817 1 14 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.314 0.228 19562 6818 1 14 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.621 -1.849 19562 6819 1 14 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.782 0.488 19562 6820 1 14 . 1 1 26 26 VAL H H 26 7.680 7.680 7.412 0.268 19562 6821 1 14 . 1 1 27 27 ASP N N 27 117.000 117.000 125.728 -8.728 19562 6822 1 14 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.836 -0.743 19562 6823 1 14 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.221 -2.260 19562 6824 1 14 . 1 1 27 27 ASP H H 27 7.500 7.500 8.114 -0.614 19562 6825 1 14 . 1 1 28 28 ASP N N 28 112.540 112.540 124.521 -11.981 19562 6826 1 14 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.307 -0.136 19562 6827 1 14 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.276 0.021 19562 6828 1 14 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.910 -0.826 19562 6829 1 14 . 1 1 28 28 ASP H H 28 7.922 7.922 8.972 -1.050 19562 6830 1 14 . 1 1 29 29 ASP N N 29 115.319 115.319 116.904 -1.585 19562 6831 1 14 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.644 0.101 19562 6832 1 14 . 1 1 29 29 ASP CA C 29 53.451 53.451 54.002 -0.551 19562 6833 1 14 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.462 0.542 19562 6834 1 14 . 1 1 29 29 ASP H H 29 7.809 7.809 7.984 -0.175 19562 6835 1 14 . 1 1 30 30 GLY N N 30 108.887 108.887 108.575 0.312 19562 6836 1 14 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.346 -0.857 19562 6837 1 14 . 1 1 30 30 GLY H H 30 8.196 8.196 8.220 -0.024 19562 6838 1 14 . 1 1 31 31 ASN N N 31 119.906 119.906 117.934 1.972 19562 6839 1 14 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.785 -0.302 19562 6840 1 14 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.856 1.345 19562 6841 1 14 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.611 -2.000 19562 6842 1 14 . 1 1 31 31 ASN H H 31 8.643 8.643 8.107 0.536 19562 6843 1 14 . 1 1 32 32 GLU N N 32 119.114 119.114 125.776 -6.662 19562 6844 1 14 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.245 -0.346 19562 6845 1 14 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.411 0.050 19562 6846 1 14 . 1 1 32 32 GLU H H 32 8.525 8.525 8.904 -0.379 19562 6847 1 14 . 1 1 33 33 LEU N N 33 126.117 126.117 124.002 2.115 19562 6848 1 14 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.320 0.289 19562 6849 1 14 . 1 1 33 33 LEU CA C 33 52.925 52.925 55.390 -2.465 19562 6850 1 14 . 1 1 33 33 LEU CB C 33 40.756 40.756 42.710 -1.954 19562 6851 1 14 . 1 1 33 33 LEU H H 33 8.817 8.817 8.396 0.421 19562 6852 1 14 . 1 1 34 34 GLY N N 34 108.970 108.970 106.826 2.144 19562 6853 1 14 . 1 1 34 34 GLY CA C 34 44.989 44.989 45.246 -0.257 19562 6854 1 14 . 1 1 34 34 GLY H H 34 8.228 8.228 7.757 0.471 19562 6855 1 14 . 1 1 35 35 SER N N 35 118.388 118.388 118.597 -0.209 19562 6856 1 14 . 1 1 35 35 SER HA H 35 5.465 5.465 4.426 1.039 19562 6857 1 14 . 1 1 35 35 SER CA C 35 57.205 57.205 58.309 -1.104 19562 6858 1 14 . 1 1 35 35 SER CB C 35 65.393 65.393 63.668 1.725 19562 6859 1 14 . 1 1 35 35 SER H H 35 8.776 8.776 8.339 0.437 19562 6860 1 14 . 1 1 36 36 GLY N N 36 109.081 109.081 110.170 -1.089 19562 6861 1 14 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.380 2.105 19562 6862 1 14 . 1 1 36 36 GLY H H 36 9.013 9.013 7.614 1.399 19562 6863 1 14 . 1 1 37 37 ILE N N 37 121.560 121.560 119.009 2.551 19562 6864 1 14 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.638 0.466 19562 6865 1 14 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.193 -1.071 19562 6866 1 14 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.965 -1.500 19562 6867 1 14 . 1 1 37 37 ILE H H 37 8.779 8.779 8.450 0.329 19562 6868 1 14 . 1 1 38 38 MET N N 38 128.553 128.553 123.318 5.235 19562 6869 1 14 . 1 1 38 38 MET HA H 38 5.735 5.735 4.818 0.917 19562 6870 1 14 . 1 1 38 38 MET CA C 38 53.008 53.008 53.599 -0.591 19562 6871 1 14 . 1 1 38 38 MET CB C 38 36.446 36.446 34.204 2.242 19562 6872 1 14 . 1 1 38 38 MET H H 38 9.827 9.827 9.384 0.443 19562 6873 1 14 . 1 1 39 39 GLU N N 39 129.378 129.378 127.783 1.595 19562 6874 1 14 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.505 0.995 19562 6875 1 14 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.454 -1.999 19562 6876 1 14 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.757 4.779 19562 6877 1 14 . 1 1 39 39 GLU H H 39 10.160 10.160 9.353 0.807 19562 6878 1 14 . 1 1 40 40 LEU N N 40 127.174 127.174 129.626 -2.452 19562 6879 1 14 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.369 0.709 19562 6880 1 14 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.670 -1.230 19562 6881 1 14 . 1 1 40 40 LEU CB C 40 42.013 42.013 42.325 -0.312 19562 6882 1 14 . 1 1 40 40 LEU H H 40 8.334 8.334 8.716 -0.382 19562 6883 1 14 . 1 1 41 41 THR N N 41 115.971 115.971 116.471 -0.500 19562 6884 1 14 . 1 1 41 41 THR HA H 41 5.012 5.012 4.747 0.265 19562 6885 1 14 . 1 1 41 41 THR CA C 41 59.113 59.113 59.765 -0.652 19562 6886 1 14 . 1 1 41 41 THR CB C 41 69.295 69.295 71.158 -1.863 19562 6887 1 14 . 1 1 41 41 THR H H 41 8.682 8.682 8.049 0.633 19562 6888 1 14 . 1 1 42 42 ASP N N 42 117.467 117.467 118.935 -1.468 19562 6889 1 14 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.221 0.394 19562 6890 1 14 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.376 -0.684 19562 6891 1 14 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.594 -0.803 19562 6892 1 14 . 1 1 42 42 ASP H H 42 8.794 8.794 8.567 0.227 19562 6893 1 14 . 1 1 43 43 THR N N 43 104.010 104.010 105.808 -1.798 19562 6894 1 14 . 1 1 43 43 THR HA H 43 4.412 4.412 3.564 0.848 19562 6895 1 14 . 1 1 43 43 THR CA C 43 61.601 61.601 61.140 0.461 19562 6896 1 14 . 1 1 43 43 THR CB C 43 71.362 71.362 70.548 0.814 19562 6897 1 14 . 1 1 43 43 THR H H 43 7.763 7.763 7.307 0.456 19562 6898 1 14 . 1 1 44 44 GLU N N 44 118.980 118.980 121.794 -2.814 19562 6899 1 14 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.061 -0.891 19562 6900 1 14 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.259 -1.319 19562 6901 1 14 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.419 0.068 19562 6902 1 14 . 1 1 44 44 GLU H H 44 7.263 7.263 7.780 -0.517 19562 6903 1 14 . 1 1 45 45 LEU N N 45 122.138 122.138 127.678 -5.540 19562 6904 1 14 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.646 0.326 19562 6905 1 14 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.901 -1.181 19562 6906 1 14 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.531 1.707 19562 6907 1 14 . 1 1 45 45 LEU H H 45 8.314 8.314 9.368 -1.054 19562 6908 1 14 . 1 1 46 46 ILE N N 46 124.244 124.244 127.005 -2.761 19562 6909 1 14 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.508 0.216 19562 6910 1 14 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.787 1.523 19562 6911 1 14 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.111 4.378 19562 6912 1 14 . 1 1 46 46 ILE H H 46 9.154 9.154 9.196 -0.042 19562 6913 1 14 . 1 1 47 47 LEU N N 47 127.510 127.510 130.955 -3.445 19562 6914 1 14 . 1 1 47 47 LEU HA H 47 5.266 5.266 5.007 0.259 19562 6915 1 14 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.252 -1.546 19562 6916 1 14 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.400 2.337 19562 6917 1 14 . 1 1 47 47 LEU H H 47 9.378 9.378 8.365 1.013 19562 6918 1 14 . 1 1 48 48 TYR N N 48 128.014 128.014 126.861 1.153 19562 6919 1 14 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.747 0.287 19562 6920 1 14 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.175 0.262 19562 6921 1 14 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.972 1.819 19562 6922 1 14 . 1 1 48 48 TYR H H 48 9.724 9.724 8.929 0.795 19562 6923 1 14 . 1 1 49 49 THR N N 49 115.097 115.097 116.923 -1.826 19562 6924 1 14 . 1 1 49 49 THR HA H 49 4.813 4.813 4.496 0.317 19562 6925 1 14 . 1 1 49 49 THR CA C 49 60.349 60.349 61.082 -0.733 19562 6926 1 14 . 1 1 49 49 THR CB C 49 70.967 70.967 70.334 0.633 19562 6927 1 14 . 1 1 49 49 THR H H 49 8.659 8.659 7.827 0.832 19562 6928 1 14 . 1 1 50 50 ARG N N 50 120.411 120.411 120.284 0.127 19562 6929 1 14 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.223 -0.024 19562 6930 1 14 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.619 -1.172 19562 6931 1 14 . 1 1 50 50 ARG CB C 50 29.774 29.774 29.994 -0.220 19562 6932 1 14 . 1 1 50 50 ARG H H 50 8.649 8.649 8.849 -0.200 19562 6933 1 14 . 1 1 51 51 LYS N N 51 117.579 117.579 117.784 -0.205 19562 6934 1 14 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.510 -0.347 19562 6935 1 14 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.192 0.486 19562 6936 1 14 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.497 -1.140 19562 6937 1 14 . 1 1 51 51 LYS H H 51 8.406 8.406 8.201 0.205 19562 6938 1 14 . 1 1 52 52 ARG N N 52 116.662 116.662 121.026 -4.364 19562 6939 1 14 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.345 0.097 19562 6940 1 14 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.550 -1.245 19562 6941 1 14 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.796 -0.046 19562 6942 1 14 . 1 1 52 52 ARG H H 52 7.973 7.973 7.886 0.087 19562 6943 1 14 . 1 1 53 53 ASP N N 53 119.760 119.760 116.357 3.403 19562 6944 1 14 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.450 0.310 19562 6945 1 14 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.549 -0.658 19562 6946 1 14 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.072 -0.064 19562 6947 1 14 . 1 1 53 53 ASP H H 53 8.066 8.066 7.934 0.132 19562 6948 1 14 . 1 1 54 54 SER N N 54 116.756 116.756 116.610 0.146 19562 6949 1 14 . 1 1 54 54 SER HA H 54 4.891 4.891 4.164 0.727 19562 6950 1 14 . 1 1 54 54 SER CA C 54 57.072 57.072 59.458 -2.386 19562 6951 1 14 . 1 1 54 54 SER CB C 54 64.473 64.473 61.592 2.881 19562 6952 1 14 . 1 1 54 54 SER H H 54 8.477 8.477 8.300 0.177 19562 6953 1 14 . 1 1 55 55 VAL N N 55 122.716 122.716 125.501 -2.785 19562 6954 1 14 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.868 0.080 19562 6955 1 14 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.290 -2.834 19562 6956 1 14 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.511 1.027 19562 6957 1 14 . 1 1 55 55 VAL H H 55 8.334 8.334 9.030 -0.696 19562 6958 1 14 . 1 1 56 56 LYS N N 56 121.568 121.568 119.705 1.863 19562 6959 1 14 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.921 0.350 19562 6960 1 14 . 1 1 56 56 LYS CA C 56 53.691 53.691 53.993 -0.302 19562 6961 1 14 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.809 0.994 19562 6962 1 14 . 1 1 56 56 LYS H H 56 7.501 7.501 8.263 -0.762 19562 6963 1 14 . 1 1 57 57 TRP N N 57 123.638 123.638 123.896 -0.258 19562 6964 1 14 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.833 -0.168 19562 6965 1 14 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.052 1.710 19562 6966 1 14 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.773 0.777 19562 6967 1 14 . 1 1 57 57 TRP H H 57 9.453 9.453 8.720 0.733 19562 6968 1 14 . 1 1 58 58 HIS N N 58 125.312 125.312 126.548 -1.236 19562 6969 1 14 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.126 -0.587 19562 6970 1 14 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.337 -0.153 19562 6971 1 14 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.279 -0.954 19562 6972 1 14 . 1 1 58 58 HIS H H 58 9.024 9.024 8.928 0.096 19562 6973 1 14 . 1 1 59 59 TYR N N 59 126.691 126.691 126.094 0.597 19562 6974 1 14 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.261 0.091 19562 6975 1 14 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.831 -0.132 19562 6976 1 14 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.234 -1.708 19562 6977 1 14 . 1 1 59 59 TYR H H 59 8.079 8.079 8.839 -0.760 19562 6978 1 14 . 1 1 60 60 LEU N N 60 114.859 114.859 118.740 -3.881 19562 6979 1 14 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.419 -0.182 19562 6980 1 14 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.110 0.989 19562 6981 1 14 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.674 -0.120 19562 6982 1 14 . 1 1 60 60 LEU H H 60 9.307 9.307 8.021 1.286 19562 6983 1 14 . 1 1 61 61 CYS N N 61 114.415 114.415 117.585 -3.170 19562 6984 1 14 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.539 0.707 19562 6985 1 14 . 1 1 61 61 CYS CA C 61 57.433 57.433 59.291 -1.858 19562 6986 1 14 . 1 1 61 61 CYS CB C 61 28.066 28.066 29.742 -1.676 19562 6987 1 14 . 1 1 61 61 CYS H H 61 8.421 8.421 7.796 0.625 19562 6988 1 14 . 1 1 62 62 LEU N N 62 122.413 122.413 123.509 -1.096 19562 6989 1 14 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.268 0.479 19562 6990 1 14 . 1 1 62 62 LEU CA C 62 54.438 54.438 56.268 -1.830 19562 6991 1 14 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.119 0.920 19562 6992 1 14 . 1 1 62 62 LEU H H 62 7.702 7.702 7.495 0.206 19562 6993 1 14 . 1 1 63 63 ARG N N 63 122.839 122.839 123.129 -0.290 19562 6994 1 14 . 1 1 63 63 ARG H H 63 9.301 9.301 9.045 0.256 19562 6995 1 14 . 1 1 64 64 ARG N N 64 111.512 111.512 117.736 -6.224 19562 6996 1 14 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.646 0.840 19562 6997 1 14 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.252 -1.607 19562 6998 1 14 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.850 3.155 19562 6999 1 14 . 1 1 64 64 ARG H H 64 7.457 7.457 7.639 -0.182 19562 7000 1 14 . 1 1 65 65 TYR N N 65 115.127 115.127 120.071 -4.944 19562 7001 1 14 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.141 0.399 19562 7002 1 14 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.290 0.899 19562 7003 1 14 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.860 -1.346 19562 7004 1 14 . 1 1 65 65 TYR H H 65 8.340 8.340 8.442 -0.102 19562 7005 1 14 . 1 1 66 66 GLY N N 66 104.938 104.938 108.780 -3.842 19562 7006 1 14 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.541 2.359 19562 7007 1 14 . 1 1 66 66 GLY H H 66 8.950 8.950 8.646 0.304 19562 7008 1 14 . 1 1 67 67 TYR N N 67 117.143 117.143 119.777 -2.634 19562 7009 1 14 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.521 0.041 19562 7010 1 14 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.798 -1.313 19562 7011 1 14 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.519 1.828 19562 7012 1 14 . 1 1 67 67 TYR H H 67 8.022 8.022 7.907 0.115 19562 7013 1 14 . 1 1 68 68 ASP N N 68 119.290 119.290 128.361 -9.071 19562 7014 1 14 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.094 -0.264 19562 7015 1 14 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.412 2.030 19562 7016 1 14 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.293 3.723 19562 7017 1 14 . 1 1 68 68 ASP H H 68 8.656 8.656 9.067 -0.411 19562 7018 1 14 . 1 1 69 69 SER N N 69 119.561 119.561 123.390 -3.829 19562 7019 1 14 . 1 1 69 69 SER HA H 69 4.040 4.040 4.161 -0.121 19562 7020 1 14 . 1 1 69 69 SER CB C 69 59.170 59.170 61.970 -2.800 19562 7021 1 14 . 1 1 69 69 SER H H 69 8.957 8.957 8.593 0.364 19562 7022 1 14 . 1 1 70 70 ASN N N 70 119.438 119.438 113.706 5.732 19562 7023 1 14 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.536 0.596 19562 7024 1 14 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.394 -2.406 19562 7025 1 14 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.164 0.114 19562 7026 1 14 . 1 1 70 70 ASN H H 70 8.502 8.502 8.790 -0.288 19562 7027 1 14 . 1 1 71 71 LEU N N 71 120.481 120.481 119.224 1.257 19562 7028 1 14 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.901 0.664 19562 7029 1 14 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.782 -0.331 19562 7030 1 14 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.122 1.614 19562 7031 1 14 . 1 1 71 71 LEU H H 71 8.807 8.807 7.370 1.437 19562 7032 1 14 . 1 1 72 72 PHE N N 72 120.815 120.815 127.157 -6.342 19562 7033 1 14 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.423 0.104 19562 7034 1 14 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.366 -0.182 19562 7035 1 14 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.670 1.193 19562 7036 1 14 . 1 1 72 72 PHE H H 72 9.439 9.439 9.654 -0.215 19562 7037 1 14 . 1 1 73 73 SER N N 73 120.270 120.270 118.763 1.507 19562 7038 1 14 . 1 1 73 73 SER HA H 73 5.387 5.387 4.401 0.986 19562 7039 1 14 . 1 1 73 73 SER CA C 73 54.994 54.994 55.142 -0.149 19562 7040 1 14 . 1 1 73 73 SER CB C 73 66.409 66.409 65.694 0.715 19562 7041 1 14 . 1 1 73 73 SER H H 73 8.597 8.597 8.083 0.514 19562 7042 1 14 . 1 1 74 74 PHE N N 74 117.157 117.157 116.550 0.607 19562 7043 1 14 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.322 -0.061 19562 7044 1 14 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.821 -0.122 19562 7045 1 14 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.437 0.466 19562 7046 1 14 . 1 1 74 74 PHE H H 74 8.050 8.050 7.894 0.156 19562 7047 1 14 . 1 1 75 75 GLU HA H 75 5.736 5.736 5.050 0.686 19562 7048 1 14 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.575 -2.866 19562 7049 1 14 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.335 0.485 19562 7050 1 14 . 1 1 76 76 SER N N 76 123.656 123.656 123.032 0.624 19562 7051 1 14 . 1 1 76 76 SER HA H 76 5.243 5.243 5.298 -0.055 19562 7052 1 14 . 1 1 76 76 SER CA C 76 56.906 56.906 57.147 -0.241 19562 7053 1 14 . 1 1 76 76 SER CB C 76 67.886 67.886 64.610 3.276 19562 7054 1 14 . 1 1 76 76 SER H H 76 9.930 9.930 8.530 1.400 19562 7055 1 14 . 1 1 77 77 GLY N N 77 105.906 105.906 112.764 -6.858 19562 7056 1 14 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.366 -0.366 19562 7057 1 14 . 1 1 77 77 GLY H H 77 8.939 8.939 8.895 0.044 19562 7058 1 14 . 1 1 78 78 ARG N N 78 114.676 114.676 120.973 -6.297 19562 7059 1 14 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.529 -0.512 19562 7060 1 14 . 1 1 78 78 ARG H H 78 9.680 9.680 7.763 1.917 19562 7061 1 14 . 1 1 79 79 ARG N N 79 121.801 121.801 120.149 1.652 19562 7062 1 14 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.168 0.405 19562 7063 1 14 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.790 -1.862 19562 7064 1 14 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.773 -3.703 19562 7065 1 14 . 1 1 79 79 ARG H H 79 9.389 9.389 8.459 0.930 19562 7066 1 14 . 1 1 80 80 CYS N N 80 113.901 113.901 119.055 -5.154 19562 7067 1 14 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.570 0.318 19562 7068 1 14 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.611 -0.646 19562 7069 1 14 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.381 -1.783 19562 7070 1 14 . 1 1 80 80 CYS H H 80 7.994 7.994 7.910 0.084 19562 7071 1 14 . 1 1 81 81 GLN N N 81 122.839 122.839 120.258 2.581 19562 7072 1 14 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.023 0.073 19562 7073 1 14 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.674 0.265 19562 7074 1 14 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.987 -0.647 19562 7075 1 14 . 1 1 81 81 GLN H H 81 8.950 8.950 8.658 0.292 19562 7076 1 14 . 1 1 82 82 THR N N 82 107.297 107.297 110.703 -3.406 19562 7077 1 14 . 1 1 82 82 THR HA H 82 4.207 4.207 4.383 -0.176 19562 7078 1 14 . 1 1 82 82 THR CA C 82 63.147 63.147 61.794 1.353 19562 7079 1 14 . 1 1 82 82 THR CB C 82 70.591 70.591 68.662 1.929 19562 7080 1 14 . 1 1 82 82 THR H H 82 8.345 8.345 7.999 0.346 19562 7081 1 14 . 1 1 83 83 GLY N N 83 112.681 112.681 110.229 2.452 19562 7082 1 14 . 1 1 83 83 GLY CA C 83 43.994 43.994 44.557 -0.563 19562 7083 1 14 . 1 1 83 83 GLY H H 83 7.820 7.820 7.884 -0.064 19562 7084 1 14 . 1 1 84 84 GLN N N 84 119.972 119.972 122.676 -2.704 19562 7085 1 14 . 1 1 84 84 GLN H H 84 8.622 8.622 8.494 0.128 19562 7086 1 14 . 1 1 85 85 GLY N N 85 111.040 111.040 107.564 3.476 19562 7087 1 14 . 1 1 85 85 GLY H H 85 8.056 8.056 7.856 0.200 19562 7088 1 14 . 1 1 86 86 ILE N N 86 121.645 121.645 123.002 -1.357 19562 7089 1 14 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.274 0.012 19562 7090 1 14 . 1 1 86 86 ILE CA C 86 60.162 60.162 60.793 -0.631 19562 7091 1 14 . 1 1 86 86 ILE CB C 86 38.542 38.542 35.677 2.865 19562 7092 1 14 . 1 1 86 86 ILE H H 86 8.021 8.021 8.364 -0.343 19562 7093 1 14 . 1 1 87 87 PHE N N 87 123.890 123.890 129.923 -6.033 19562 7094 1 14 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.559 0.067 19562 7095 1 14 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.708 0.236 19562 7096 1 14 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.685 0.318 19562 7097 1 14 . 1 1 87 87 PHE H H 87 8.476 8.476 8.902 -0.426 19562 7098 1 14 . 1 1 88 88 ALA N N 88 124.824 124.824 128.888 -4.064 19562 7099 1 14 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.070 1.211 19562 7100 1 14 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.558 0.646 19562 7101 1 14 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.321 1.014 19562 7102 1 14 . 1 1 88 88 ALA H H 88 9.149 9.149 8.033 1.116 19562 7103 1 14 . 1 1 89 89 PHE N N 89 118.047 118.047 118.373 -0.326 19562 7104 1 14 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.885 0.560 19562 7105 1 14 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.721 -0.016 19562 7106 1 14 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.850 0.646 19562 7107 1 14 . 1 1 89 89 PHE H H 89 9.423 9.423 8.927 0.496 19562 7108 1 14 . 1 1 90 90 LYS N N 90 122.937 122.937 125.561 -2.624 19562 7109 1 14 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.659 0.846 19562 7110 1 14 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.234 -1.406 19562 7111 1 14 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.625 2.389 19562 7112 1 14 . 1 1 90 90 LYS H H 90 9.943 9.943 9.224 0.719 19562 7113 1 14 . 1 1 91 91 CYS N N 91 126.115 126.115 122.994 3.121 19562 7114 1 14 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.660 0.093 19562 7115 1 14 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.027 1.148 19562 7116 1 14 . 1 1 91 91 CYS CB C 91 28.809 28.809 28.997 -0.188 19562 7117 1 14 . 1 1 91 91 CYS H H 91 9.689 9.689 8.163 1.526 19562 7118 1 14 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.078 0.353 19562 7119 1 14 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.353 0.357 19562 7120 1 14 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.593 -0.730 19562 7121 1 14 . 1 1 93 93 ARG N N 93 117.248 117.248 118.010 -0.762 19562 7122 1 14 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.222 0.790 19562 7123 1 14 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.639 0.318 19562 7124 1 14 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.416 3.387 19562 7125 1 14 . 1 1 93 93 ARG H H 93 7.964 7.964 7.954 0.010 19562 7126 1 14 . 1 1 94 94 ALA N N 94 122.369 122.369 124.324 -1.955 19562 7127 1 14 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.973 -0.450 19562 7128 1 14 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.409 -0.438 19562 7129 1 14 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.797 -0.701 19562 7130 1 14 . 1 1 94 94 ALA H H 94 7.310 7.310 8.236 -0.926 19562 7131 1 14 . 1 1 95 95 GLU N N 95 116.205 116.205 118.080 -1.875 19562 7132 1 14 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.814 -0.334 19562 7133 1 14 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.072 -0.376 19562 7134 1 14 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.691 1.370 19562 7135 1 14 . 1 1 95 95 GLU H H 95 8.376 8.376 8.563 -0.187 19562 7136 1 14 . 1 1 96 96 GLU N N 96 119.188 119.188 120.359 -1.171 19562 7137 1 14 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.027 -0.060 19562 7138 1 14 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.471 0.429 19562 7139 1 14 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.114 0.916 19562 7140 1 14 . 1 1 96 96 GLU H H 96 7.418 7.418 7.849 -0.431 19562 7141 1 14 . 1 1 97 97 LEU N N 97 123.654 123.654 120.706 2.948 19562 7142 1 14 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.114 -1.100 19562 7143 1 14 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.376 0.343 19562 7144 1 14 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.893 -0.880 19562 7145 1 14 . 1 1 97 97 LEU H H 97 7.847 7.847 8.544 -0.697 19562 7146 1 14 . 1 1 98 98 PHE N N 98 118.746 118.746 119.408 -0.662 19562 7147 1 14 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.318 -0.525 19562 7148 1 14 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.536 0.160 19562 7149 1 14 . 1 1 98 98 PHE H H 98 8.076 8.076 9.132 -1.056 19562 7150 1 14 . 1 1 99 99 ASN N N 99 117.017 117.017 118.822 -1.805 19562 7151 1 14 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.233 -0.013 19562 7152 1 14 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.704 -0.238 19562 7153 1 14 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.183 -0.902 19562 7154 1 14 . 1 1 99 99 ASN H H 99 8.622 8.622 8.299 0.323 19562 7155 1 14 . 1 1 100 100 MET N N 100 121.914 121.914 120.133 1.781 19562 7156 1 14 . 1 1 100 100 MET HA H 100 4.061 4.061 4.235 -0.174 19562 7157 1 14 . 1 1 100 100 MET CA C 100 58.699 58.699 59.050 -0.350 19562 7158 1 14 . 1 1 100 100 MET CB C 100 32.048 32.048 32.587 -0.539 19562 7159 1 14 . 1 1 100 100 MET H H 100 8.316 8.316 8.525 -0.209 19562 7160 1 14 . 1 1 101 101 LEU N N 101 121.094 121.094 120.064 1.030 19562 7161 1 14 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.077 -0.497 19562 7162 1 14 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.111 -0.685 19562 7163 1 14 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.420 -0.320 19562 7164 1 14 . 1 1 101 101 LEU H H 101 8.047 8.047 8.611 -0.564 19562 7165 1 14 . 1 1 102 102 GLN N N 102 116.417 116.417 117.205 -0.788 19562 7166 1 14 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.092 -0.178 19562 7167 1 14 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.774 -0.328 19562 7168 1 14 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.422 0.265 19562 7169 1 14 . 1 1 102 102 GLN H H 102 8.195 8.195 8.380 -0.185 19562 7170 1 14 . 1 1 103 103 GLU N N 103 119.096 119.096 120.242 -1.146 19562 7171 1 14 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.030 -0.122 19562 7172 1 14 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.716 0.201 19562 7173 1 14 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.463 -0.402 19562 7174 1 14 . 1 1 103 103 GLU H H 103 7.635 7.635 8.323 -0.688 19562 7175 1 14 . 1 1 104 104 ILE N N 104 120.803 120.803 121.304 -0.501 19562 7176 1 14 . 1 1 104 104 ILE HA H 104 3.601 3.601 4.101 -0.500 19562 7177 1 14 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.344 -0.634 19562 7178 1 14 . 1 1 104 104 ILE CB C 104 38.050 38.050 38.113 -0.063 19562 7179 1 14 . 1 1 104 104 ILE H H 104 7.965 7.965 8.717 -0.752 19562 7180 1 14 . 1 1 105 105 MET N N 105 117.016 117.016 115.946 1.070 19562 7181 1 14 . 1 1 105 105 MET HA H 105 4.020 4.020 4.223 -0.203 19562 7182 1 14 . 1 1 105 105 MET CA C 105 57.384 57.384 58.948 -1.564 19562 7183 1 14 . 1 1 105 105 MET H H 105 8.145 8.145 8.494 -0.349 19562 7184 1 14 . 1 1 106 106 GLN N N 106 116.150 116.150 115.138 1.012 19562 7185 1 14 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.331 -0.128 19562 7186 1 14 . 1 1 106 106 GLN CA C 106 56.641 56.641 57.202 -0.561 19562 7187 1 14 . 1 1 106 106 GLN CB C 106 28.113 28.113 29.455 -1.342 19562 7188 1 14 . 1 1 106 106 GLN H H 106 7.930 7.930 8.136 -0.206 19562 7189 1 14 . 1 1 107 107 ASN N N 107 117.360 117.360 113.751 3.609 19562 7190 1 14 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.845 -0.125 19562 7191 1 14 . 1 1 107 107 ASN CA C 107 53.497 53.497 53.172 0.325 19562 7192 1 14 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.611 -1.052 19562 7193 1 14 . 1 1 107 107 ASN H H 107 7.872 7.872 7.777 0.095 19562 7194 1 14 . 1 1 108 108 ASN N N 108 118.611 118.611 118.215 0.396 19562 7195 1 14 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.917 -0.157 19562 7196 1 14 . 1 1 108 108 ASN CA C 108 52.700 52.700 53.611 -0.911 19562 7197 1 14 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.861 -2.343 19562 7198 1 14 . 1 1 108 108 ASN H H 108 8.144 8.144 8.258 -0.114 19562 7199 1 14 . 1 1 109 109 SER N N 109 115.704 115.704 112.323 3.381 19562 7200 1 14 . 1 1 109 109 SER HA H 109 4.519 4.519 4.071 0.448 19562 7201 1 14 . 1 1 109 109 SER CA C 109 57.700 57.700 60.783 -3.083 19562 7202 1 14 . 1 1 109 109 SER CB C 109 63.150 63.150 62.833 0.317 19562 7203 1 14 . 1 1 109 109 SER H H 109 8.215 8.215 8.418 -0.203 19562 7204 1 14 . 1 1 110 110 ILE N N 110 121.954 121.954 120.979 0.975 19562 7205 1 14 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.728 0.484 19562 7206 1 14 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.422 -1.536 19562 7207 1 14 . 1 1 110 110 ILE CB C 110 38.235 38.235 37.212 1.023 19562 7208 1 14 . 1 1 110 110 ILE H H 110 8.061 8.061 7.900 0.161 19562 7209 1 14 . 1 1 111 111 ASN N N 111 122.386 122.386 123.569 -1.183 19562 7210 1 14 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.995 -0.213 19562 7211 1 14 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.664 0.070 19562 7212 1 14 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.643 -2.843 19562 7213 1 14 . 1 1 111 111 ASN H H 111 8.376 8.376 8.180 0.196 19562 7214 1 14 . 1 1 112 112 VAL N N 112 120.830 120.830 121.826 -0.996 19562 7215 1 14 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.124 0.061 19562 7216 1 14 . 1 1 112 112 VAL CA C 112 61.660 61.660 63.324 -1.664 19562 7217 1 14 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.954 0.376 19562 7218 1 14 . 1 1 112 112 VAL H H 112 8.067 8.067 8.416 -0.349 19562 7219 1 14 . 1 1 113 113 VAL N N 113 124.249 124.249 117.422 6.827 19562 7220 1 14 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.187 -0.072 19562 7221 1 14 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.678 -0.228 19562 7222 1 14 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.689 -1.344 19562 7223 1 14 . 1 1 113 113 VAL H H 113 8.167 8.167 7.285 0.882 19562 7224 1 14 . 1 1 114 114 GLU N N 114 125.288 125.288 119.048 6.240 19562 7225 1 14 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.093 0.216 19562 7226 1 14 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.223 -1.533 19562 7227 1 14 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.924 1.126 19562 7228 1 14 . 1 1 114 114 GLU H H 114 8.405 8.405 8.332 0.073 19562 7229 1 14 . 1 1 115 115 GLU N N 115 123.990 123.990 120.032 3.958 19562 7230 1 14 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.444 0.119 19562 7231 1 14 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.987 -1.262 19562 7232 1 14 . 1 1 115 115 GLU CB C 115 29.435 29.435 29.857 -0.422 19562 7233 1 14 . 1 1 115 115 GLU H H 115 8.392 8.392 8.270 0.122 19562 7234 1 14 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.454 -0.024 19562 7235 1 14 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.472 0.198 19562 7236 1 14 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.802 0.853 19562 7237 1 14 . 1 1 117 117 VAL N N 117 121.339 121.339 116.308 5.031 19562 7238 1 14 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.676 0.400 19562 7239 1 14 . 1 1 117 117 VAL CA C 117 61.990 61.990 63.137 -1.147 19562 7240 1 14 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.413 0.407 19562 7241 1 14 . 1 1 117 117 VAL H H 117 8.266 8.266 7.671 0.595 19562 7242 1 14 . 1 1 118 118 VAL N N 118 124.762 124.762 127.361 -2.599 19562 7243 1 14 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.861 0.255 19562 7244 1 14 . 1 1 118 118 VAL H H 118 8.202 8.202 8.579 -0.377 19562 7245 1 14 . 1 1 119 119 GLU N N 119 125.304 125.304 127.363 -2.059 19562 7246 1 14 . 1 1 119 119 GLU H H 119 8.479 8.479 8.594 -0.115 19562 7247 1 14 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.233 0.162 19562 7248 1 14 . 1 1 120 120 ARG CA C 120 55.350 55.350 57.746 -2.396 19562 7249 1 14 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.611 -0.046 19562 7250 1 14 . 1 1 121 121 ASN N N 121 120.465 120.465 113.191 7.274 19562 7251 1 14 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.595 0.159 19562 7252 1 14 . 1 1 121 121 ASN H H 121 8.536 8.536 8.331 0.205 19562 7253 1 15 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.820 -0.201 19562 7254 1 15 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.888 0.260 19562 7255 1 15 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.419 -0.810 19562 7256 1 15 . 1 1 10 10 MET N N 10 120.964 120.964 119.636 1.328 19562 7257 1 15 . 1 1 10 10 MET HA H 10 4.395 4.395 4.055 0.340 19562 7258 1 15 . 1 1 10 10 MET CA C 10 55.153 55.153 57.820 -2.667 19562 7259 1 15 . 1 1 10 10 MET CB C 10 32.293 32.293 31.669 0.624 19562 7260 1 15 . 1 1 10 10 MET H H 10 8.274 8.274 9.049 -0.775 19562 7261 1 15 . 1 1 11 11 ASP N N 11 120.989 120.989 119.513 1.476 19562 7262 1 15 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.923 -0.177 19562 7263 1 15 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.889 0.311 19562 7264 1 15 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.633 -1.433 19562 7265 1 15 . 1 1 11 11 ASP H H 11 8.281 8.281 8.130 0.151 19562 7266 1 15 . 1 1 12 12 THR N N 12 113.244 113.244 113.455 -0.211 19562 7267 1 15 . 1 1 12 12 THR HA H 12 4.312 4.312 4.277 0.035 19562 7268 1 15 . 1 1 12 12 THR CA C 12 61.218 61.218 62.530 -1.312 19562 7269 1 15 . 1 1 12 12 THR CB C 12 69.316 69.316 68.605 0.711 19562 7270 1 15 . 1 1 12 12 THR H H 12 7.979 7.979 7.783 0.196 19562 7271 1 15 . 1 1 13 13 VAL N N 13 123.579 123.579 128.839 -5.260 19562 7272 1 15 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.349 0.055 19562 7273 1 15 . 1 1 13 13 VAL CA C 13 59.234 59.234 59.839 -0.605 19562 7274 1 15 . 1 1 13 13 VAL CB C 13 32.299 32.299 33.164 -0.865 19562 7275 1 15 . 1 1 13 13 VAL H H 13 8.021 8.021 7.938 0.083 19562 7276 1 15 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.379 0.048 19562 7277 1 15 . 1 1 14 14 PRO CA C 14 62.900 62.900 64.795 -1.895 19562 7278 1 15 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.419 -0.629 19562 7279 1 15 . 1 1 15 15 ASP N N 15 120.556 120.556 113.817 6.739 19562 7280 1 15 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.556 -0.104 19562 7281 1 15 . 1 1 15 15 ASP CA C 15 54.421 54.421 54.276 0.145 19562 7282 1 15 . 1 1 15 15 ASP CB C 15 40.558 40.558 41.249 -0.691 19562 7283 1 15 . 1 1 15 15 ASP H H 15 8.471 8.471 8.440 0.031 19562 7284 1 15 . 1 1 16 16 ASN N N 16 116.991 116.991 114.775 2.216 19562 7285 1 15 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.840 -0.236 19562 7286 1 15 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.406 -0.124 19562 7287 1 15 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.424 -1.693 19562 7288 1 15 . 1 1 16 16 ASN H H 16 8.111 8.111 7.856 0.255 19562 7289 1 15 . 1 1 17 17 HIS N N 17 119.335 119.335 116.009 3.326 19562 7290 1 15 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.164 0.248 19562 7291 1 15 . 1 1 17 17 HIS CA C 17 56.436 56.436 59.145 -2.709 19562 7292 1 15 . 1 1 17 17 HIS CB C 17 30.009 30.009 27.788 2.221 19562 7293 1 15 . 1 1 17 17 HIS H H 17 8.014 8.014 8.278 -0.264 19562 7294 1 15 . 1 1 18 18 ARG N N 18 122.269 122.269 122.063 0.206 19562 7295 1 15 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.070 -0.087 19562 7296 1 15 . 1 1 18 18 ARG CA C 18 57.419 57.419 57.708 -0.289 19562 7297 1 15 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.138 -0.357 19562 7298 1 15 . 1 1 18 18 ARG H H 18 8.209 8.209 8.325 -0.116 19562 7299 1 15 . 1 1 19 19 ASN N N 19 114.495 114.495 115.138 -0.643 19562 7300 1 15 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.340 0.375 19562 7301 1 15 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.922 -1.199 19562 7302 1 15 . 1 1 19 19 ASN CB C 19 38.034 38.034 39.183 -1.149 19562 7303 1 15 . 1 1 19 19 ASN H H 19 8.565 8.565 7.456 1.109 19562 7304 1 15 . 1 1 20 20 LYS N N 20 117.932 117.932 121.086 -3.154 19562 7305 1 15 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.221 1.036 19562 7306 1 15 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.684 -0.947 19562 7307 1 15 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.115 3.900 19562 7308 1 15 . 1 1 20 20 LYS H H 20 7.040 7.040 7.454 -0.414 19562 7309 1 15 . 1 1 21 21 PHE N N 21 120.620 120.620 127.457 -6.837 19562 7310 1 15 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.583 -0.074 19562 7311 1 15 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.751 1.170 19562 7312 1 15 . 1 1 21 21 PHE CB C 21 42.198 42.198 42.231 -0.033 19562 7313 1 15 . 1 1 21 21 PHE H H 21 9.389 9.389 8.138 1.251 19562 7314 1 15 . 1 1 22 22 LYS N N 22 125.637 125.637 125.840 -0.203 19562 7315 1 15 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.628 0.109 19562 7316 1 15 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.235 1.737 19562 7317 1 15 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.634 -0.329 19562 7318 1 15 . 1 1 22 22 LYS H H 22 9.258 9.258 8.863 0.395 19562 7319 1 15 . 1 1 23 23 VAL N N 23 118.282 118.282 118.852 -0.570 19562 7320 1 15 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.439 1.188 19562 7321 1 15 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.405 -1.020 19562 7322 1 15 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.903 2.613 19562 7323 1 15 . 1 1 23 23 VAL H H 23 8.672 8.672 7.876 0.796 19562 7324 1 15 . 1 1 24 24 ILE N N 24 120.397 120.397 118.796 1.601 19562 7325 1 15 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.522 0.291 19562 7326 1 15 . 1 1 24 24 ILE CA C 24 60.161 60.161 60.002 0.159 19562 7327 1 15 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.472 1.596 19562 7328 1 15 . 1 1 24 24 ILE H H 24 8.824 8.824 8.111 0.713 19562 7329 1 15 . 1 1 25 25 ASN N N 25 127.655 127.655 126.118 1.537 19562 7330 1 15 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.882 -0.381 19562 7331 1 15 . 1 1 25 25 ASN CA C 25 54.201 54.201 52.985 1.216 19562 7332 1 15 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.592 0.929 19562 7333 1 15 . 1 1 25 25 ASN H H 25 9.232 9.232 8.770 0.462 19562 7334 1 15 . 1 1 26 26 VAL N N 26 116.322 116.322 116.126 0.196 19562 7335 1 15 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.239 0.303 19562 7336 1 15 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.555 -1.783 19562 7337 1 15 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.276 0.994 19562 7338 1 15 . 1 1 26 26 VAL H H 26 7.680 7.680 7.427 0.253 19562 7339 1 15 . 1 1 27 27 ASP N N 27 117.000 117.000 125.681 -8.681 19562 7340 1 15 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.956 -0.863 19562 7341 1 15 . 1 1 27 27 ASP CA C 27 50.962 50.962 52.961 -1.999 19562 7342 1 15 . 1 1 27 27 ASP H H 27 7.500 7.500 8.006 -0.506 19562 7343 1 15 . 1 1 28 28 ASP N N 28 112.540 112.540 123.106 -10.566 19562 7344 1 15 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.329 -0.158 19562 7345 1 15 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.042 0.256 19562 7346 1 15 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.083 0.001 19562 7347 1 15 . 1 1 28 28 ASP H H 28 7.922 7.922 8.953 -1.031 19562 7348 1 15 . 1 1 29 29 ASP N N 29 115.319 115.319 117.448 -2.129 19562 7349 1 15 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.602 0.143 19562 7350 1 15 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.932 -0.481 19562 7351 1 15 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.446 0.558 19562 7352 1 15 . 1 1 29 29 ASP H H 29 7.809 7.809 8.195 -0.386 19562 7353 1 15 . 1 1 30 30 GLY N N 30 108.887 108.887 108.807 0.080 19562 7354 1 15 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.334 -0.845 19562 7355 1 15 . 1 1 30 30 GLY H H 30 8.196 8.196 8.327 -0.131 19562 7356 1 15 . 1 1 31 31 ASN N N 31 119.906 119.906 118.431 1.475 19562 7357 1 15 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.731 -0.248 19562 7358 1 15 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.954 1.247 19562 7359 1 15 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.320 -1.709 19562 7360 1 15 . 1 1 31 31 ASN H H 31 8.643 8.643 8.050 0.593 19562 7361 1 15 . 1 1 32 32 GLU N N 32 119.114 119.114 125.909 -6.795 19562 7362 1 15 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.162 -0.263 19562 7363 1 15 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.719 -0.258 19562 7364 1 15 . 1 1 32 32 GLU H H 32 8.525 8.525 8.990 -0.465 19562 7365 1 15 . 1 1 33 33 LEU N N 33 126.117 126.117 123.434 2.683 19562 7366 1 15 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.517 0.092 19562 7367 1 15 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.645 -0.720 19562 7368 1 15 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.315 -0.559 19562 7369 1 15 . 1 1 33 33 LEU H H 33 8.817 8.817 8.235 0.582 19562 7370 1 15 . 1 1 34 34 GLY N N 34 108.970 108.970 105.191 3.779 19562 7371 1 15 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.450 0.539 19562 7372 1 15 . 1 1 34 34 GLY H H 34 8.228 8.228 7.487 0.741 19562 7373 1 15 . 1 1 35 35 SER N N 35 118.388 118.388 117.751 0.637 19562 7374 1 15 . 1 1 35 35 SER HA H 35 5.465 5.465 4.867 0.598 19562 7375 1 15 . 1 1 35 35 SER CA C 35 57.205 57.205 57.651 -0.446 19562 7376 1 15 . 1 1 35 35 SER CB C 35 65.393 65.393 63.856 1.537 19562 7377 1 15 . 1 1 35 35 SER H H 35 8.776 8.776 8.582 0.194 19562 7378 1 15 . 1 1 36 36 GLY N N 36 109.081 109.081 112.003 -2.922 19562 7379 1 15 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.525 1.960 19562 7380 1 15 . 1 1 36 36 GLY H H 36 9.013 9.013 8.378 0.635 19562 7381 1 15 . 1 1 37 37 ILE N N 37 121.560 121.560 118.757 2.803 19562 7382 1 15 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.769 0.335 19562 7383 1 15 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.099 -0.977 19562 7384 1 15 . 1 1 37 37 ILE CB C 37 40.465 40.465 42.004 -1.539 19562 7385 1 15 . 1 1 37 37 ILE H H 37 8.779 8.779 8.366 0.413 19562 7386 1 15 . 1 1 38 38 MET N N 38 128.553 128.553 122.388 6.165 19562 7387 1 15 . 1 1 38 38 MET HA H 38 5.735 5.735 4.920 0.815 19562 7388 1 15 . 1 1 38 38 MET CA C 38 53.008 53.008 53.744 -0.736 19562 7389 1 15 . 1 1 38 38 MET CB C 38 36.446 36.446 34.763 1.683 19562 7390 1 15 . 1 1 38 38 MET H H 38 9.827 9.827 9.388 0.439 19562 7391 1 15 . 1 1 39 39 GLU N N 39 129.378 129.378 127.724 1.654 19562 7392 1 15 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.506 0.994 19562 7393 1 15 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.595 -2.140 19562 7394 1 15 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.684 4.852 19562 7395 1 15 . 1 1 39 39 GLU H H 39 10.160 10.160 9.099 1.061 19562 7396 1 15 . 1 1 40 40 LEU N N 40 127.174 127.174 130.809 -3.635 19562 7397 1 15 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.468 0.610 19562 7398 1 15 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.206 0.234 19562 7399 1 15 . 1 1 40 40 LEU CB C 40 42.013 42.013 40.983 1.030 19562 7400 1 15 . 1 1 40 40 LEU H H 40 8.334 8.334 8.593 -0.259 19562 7401 1 15 . 1 1 41 41 THR N N 41 115.971 115.971 115.341 0.630 19562 7402 1 15 . 1 1 41 41 THR HA H 41 5.012 5.012 4.535 0.477 19562 7403 1 15 . 1 1 41 41 THR CA C 41 59.113 59.113 59.782 -0.669 19562 7404 1 15 . 1 1 41 41 THR CB C 41 69.295 69.295 70.918 -1.623 19562 7405 1 15 . 1 1 41 41 THR H H 41 8.682 8.682 7.903 0.779 19562 7406 1 15 . 1 1 42 42 ASP N N 42 117.467 117.467 117.346 0.121 19562 7407 1 15 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.188 0.427 19562 7408 1 15 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.663 -0.971 19562 7409 1 15 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.512 -0.721 19562 7410 1 15 . 1 1 42 42 ASP H H 42 8.794 8.794 8.675 0.119 19562 7411 1 15 . 1 1 43 43 THR N N 43 104.010 104.010 106.173 -2.163 19562 7412 1 15 . 1 1 43 43 THR HA H 43 4.412 4.412 3.485 0.927 19562 7413 1 15 . 1 1 43 43 THR CA C 43 61.601 61.601 61.437 0.164 19562 7414 1 15 . 1 1 43 43 THR CB C 43 71.362 71.362 70.774 0.588 19562 7415 1 15 . 1 1 43 43 THR H H 43 7.763 7.763 7.377 0.386 19562 7416 1 15 . 1 1 44 44 GLU N N 44 118.980 118.980 121.765 -2.785 19562 7417 1 15 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.042 -0.872 19562 7418 1 15 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.137 -1.197 19562 7419 1 15 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.317 0.170 19562 7420 1 15 . 1 1 44 44 GLU H H 44 7.263 7.263 7.625 -0.362 19562 7421 1 15 . 1 1 45 45 LEU N N 45 122.138 122.138 127.851 -5.713 19562 7422 1 15 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.903 0.069 19562 7423 1 15 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.659 -0.938 19562 7424 1 15 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.556 1.682 19562 7425 1 15 . 1 1 45 45 LEU H H 45 8.314 8.314 9.342 -1.028 19562 7426 1 15 . 1 1 46 46 ILE N N 46 124.244 124.244 126.325 -2.081 19562 7427 1 15 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.482 0.242 19562 7428 1 15 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.824 1.486 19562 7429 1 15 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.245 4.245 19562 7430 1 15 . 1 1 46 46 ILE H H 46 9.154 9.154 9.005 0.149 19562 7431 1 15 . 1 1 47 47 LEU N N 47 127.510 127.510 131.392 -3.882 19562 7432 1 15 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.925 0.341 19562 7433 1 15 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.371 -1.665 19562 7434 1 15 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.026 2.710 19562 7435 1 15 . 1 1 47 47 LEU H H 47 9.378 9.378 8.414 0.964 19562 7436 1 15 . 1 1 48 48 TYR N N 48 128.014 128.014 127.310 0.704 19562 7437 1 15 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.720 0.314 19562 7438 1 15 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.312 0.125 19562 7439 1 15 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.967 1.825 19562 7440 1 15 . 1 1 48 48 TYR H H 48 9.724 9.724 8.852 0.872 19562 7441 1 15 . 1 1 49 49 THR N N 49 115.097 115.097 118.235 -3.138 19562 7442 1 15 . 1 1 49 49 THR HA H 49 4.813 4.813 4.492 0.321 19562 7443 1 15 . 1 1 49 49 THR CA C 49 60.349 60.349 60.684 -0.335 19562 7444 1 15 . 1 1 49 49 THR CB C 49 70.967 70.967 70.228 0.739 19562 7445 1 15 . 1 1 49 49 THR H H 49 8.659 8.659 7.932 0.727 19562 7446 1 15 . 1 1 50 50 ARG N N 50 120.411 120.411 121.637 -1.226 19562 7447 1 15 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.291 -0.092 19562 7448 1 15 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.575 -1.129 19562 7449 1 15 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.239 -0.465 19562 7450 1 15 . 1 1 50 50 ARG H H 50 8.649 8.649 8.820 -0.171 19562 7451 1 15 . 1 1 51 51 LYS N N 51 117.579 117.579 116.805 0.774 19562 7452 1 15 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.540 -0.377 19562 7453 1 15 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.193 0.485 19562 7454 1 15 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.597 -1.240 19562 7455 1 15 . 1 1 51 51 LYS H H 51 8.406 8.406 8.204 0.202 19562 7456 1 15 . 1 1 52 52 ARG N N 52 116.662 116.662 120.998 -4.336 19562 7457 1 15 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.321 0.121 19562 7458 1 15 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.639 -1.334 19562 7459 1 15 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.627 0.124 19562 7460 1 15 . 1 1 52 52 ARG H H 52 7.973 7.973 7.808 0.165 19562 7461 1 15 . 1 1 53 53 ASP N N 53 119.760 119.760 115.305 4.455 19562 7462 1 15 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.418 0.342 19562 7463 1 15 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.648 -0.757 19562 7464 1 15 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.491 -0.484 19562 7465 1 15 . 1 1 53 53 ASP H H 53 8.066 8.066 7.616 0.450 19562 7466 1 15 . 1 1 54 54 SER N N 54 116.756 116.756 115.108 1.648 19562 7467 1 15 . 1 1 54 54 SER HA H 54 4.891 4.891 4.266 0.625 19562 7468 1 15 . 1 1 54 54 SER CA C 54 57.072 57.072 59.387 -2.315 19562 7469 1 15 . 1 1 54 54 SER CB C 54 64.473 64.473 61.722 2.751 19562 7470 1 15 . 1 1 54 54 SER H H 54 8.477 8.477 8.304 0.173 19562 7471 1 15 . 1 1 55 55 VAL N N 55 122.716 122.716 124.562 -1.846 19562 7472 1 15 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.892 0.056 19562 7473 1 15 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.369 -2.913 19562 7474 1 15 . 1 1 55 55 VAL CB C 55 33.538 33.538 33.005 0.533 19562 7475 1 15 . 1 1 55 55 VAL H H 55 8.334 8.334 9.031 -0.697 19562 7476 1 15 . 1 1 56 56 LYS N N 56 121.568 121.568 120.112 1.456 19562 7477 1 15 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.940 0.331 19562 7478 1 15 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.428 -0.737 19562 7479 1 15 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.114 0.689 19562 7480 1 15 . 1 1 56 56 LYS H H 56 7.501 7.501 7.858 -0.357 19562 7481 1 15 . 1 1 57 57 TRP N N 57 123.638 123.638 121.839 1.799 19562 7482 1 15 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.856 -0.191 19562 7483 1 15 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.410 1.352 19562 7484 1 15 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.712 -0.162 19562 7485 1 15 . 1 1 57 57 TRP H H 57 9.453 9.453 8.537 0.916 19562 7486 1 15 . 1 1 58 58 HIS N N 58 125.312 125.312 126.167 -0.855 19562 7487 1 15 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.228 -0.689 19562 7488 1 15 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.122 0.062 19562 7489 1 15 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.672 -1.347 19562 7490 1 15 . 1 1 58 58 HIS H H 58 9.024 9.024 8.771 0.253 19562 7491 1 15 . 1 1 59 59 TYR N N 59 126.691 126.691 124.267 2.424 19562 7492 1 15 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.218 0.134 19562 7493 1 15 . 1 1 59 59 TYR CA C 59 59.699 59.699 60.068 -0.369 19562 7494 1 15 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.276 -1.749 19562 7495 1 15 . 1 1 59 59 TYR H H 59 8.079 8.079 8.593 -0.514 19562 7496 1 15 . 1 1 60 60 LEU N N 60 114.859 114.859 117.124 -2.265 19562 7497 1 15 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.332 -0.095 19562 7498 1 15 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.310 0.789 19562 7499 1 15 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.508 0.046 19562 7500 1 15 . 1 1 60 60 LEU H H 60 9.307 9.307 8.001 1.306 19562 7501 1 15 . 1 1 61 61 CYS N N 61 114.415 114.415 115.945 -1.530 19562 7502 1 15 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.618 0.628 19562 7503 1 15 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.245 -0.812 19562 7504 1 15 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.957 -2.891 19562 7505 1 15 . 1 1 61 61 CYS H H 61 8.421 8.421 7.605 0.816 19562 7506 1 15 . 1 1 62 62 LEU N N 62 122.413 122.413 123.811 -1.398 19562 7507 1 15 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.255 0.492 19562 7508 1 15 . 1 1 62 62 LEU CA C 62 54.438 54.438 56.119 -1.681 19562 7509 1 15 . 1 1 62 62 LEU CB C 62 41.039 41.039 39.914 1.125 19562 7510 1 15 . 1 1 62 62 LEU H H 62 7.702 7.702 7.505 0.197 19562 7511 1 15 . 1 1 63 63 ARG N N 63 122.839 122.839 121.400 1.439 19562 7512 1 15 . 1 1 63 63 ARG H H 63 9.301 9.301 8.997 0.304 19562 7513 1 15 . 1 1 64 64 ARG N N 64 111.512 111.512 115.149 -3.637 19562 7514 1 15 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.684 0.802 19562 7515 1 15 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.859 -1.214 19562 7516 1 15 . 1 1 64 64 ARG CB C 64 35.005 35.005 33.631 1.374 19562 7517 1 15 . 1 1 64 64 ARG H H 64 7.457 7.457 7.683 -0.226 19562 7518 1 15 . 1 1 65 65 TYR N N 65 115.127 115.127 114.768 0.359 19562 7519 1 15 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.118 0.422 19562 7520 1 15 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.101 -0.912 19562 7521 1 15 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.307 -0.793 19562 7522 1 15 . 1 1 65 65 TYR H H 65 8.340 8.340 8.410 -0.070 19562 7523 1 15 . 1 1 66 66 GLY N N 66 104.938 104.938 108.645 -3.707 19562 7524 1 15 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.557 2.343 19562 7525 1 15 . 1 1 66 66 GLY H H 66 8.950 8.950 8.634 0.316 19562 7526 1 15 . 1 1 67 67 TYR N N 67 117.143 117.143 120.034 -2.891 19562 7527 1 15 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.504 0.058 19562 7528 1 15 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.117 -1.632 19562 7529 1 15 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.152 2.195 19562 7530 1 15 . 1 1 67 67 TYR H H 67 8.022 8.022 7.970 0.052 19562 7531 1 15 . 1 1 68 68 ASP N N 68 119.290 119.290 128.628 -9.338 19562 7532 1 15 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.192 -0.362 19562 7533 1 15 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.341 2.101 19562 7534 1 15 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.370 3.646 19562 7535 1 15 . 1 1 68 68 ASP H H 68 8.656 8.656 8.993 -0.337 19562 7536 1 15 . 1 1 69 69 SER N N 69 119.561 119.561 121.545 -1.984 19562 7537 1 15 . 1 1 69 69 SER HA H 69 4.040 4.040 4.136 -0.096 19562 7538 1 15 . 1 1 69 69 SER CB C 69 59.170 59.170 62.082 -2.912 19562 7539 1 15 . 1 1 69 69 SER H H 69 8.957 8.957 8.616 0.341 19562 7540 1 15 . 1 1 70 70 ASN N N 70 119.438 119.438 110.688 8.750 19562 7541 1 15 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.478 0.654 19562 7542 1 15 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.580 -2.592 19562 7543 1 15 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.236 0.042 19562 7544 1 15 . 1 1 70 70 ASN H H 70 8.502 8.502 8.845 -0.343 19562 7545 1 15 . 1 1 71 71 LEU N N 71 120.481 120.481 119.861 0.620 19562 7546 1 15 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.788 0.777 19562 7547 1 15 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.950 -0.499 19562 7548 1 15 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.445 2.291 19562 7549 1 15 . 1 1 71 71 LEU H H 71 8.807 8.807 7.631 1.176 19562 7550 1 15 . 1 1 72 72 PHE N N 72 120.815 120.815 127.313 -6.498 19562 7551 1 15 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.417 0.110 19562 7552 1 15 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.438 -0.254 19562 7553 1 15 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.538 1.325 19562 7554 1 15 . 1 1 72 72 PHE H H 72 9.439 9.439 9.719 -0.280 19562 7555 1 15 . 1 1 73 73 SER N N 73 120.270 120.270 118.742 1.528 19562 7556 1 15 . 1 1 73 73 SER HA H 73 5.387 5.387 4.318 1.069 19562 7557 1 15 . 1 1 73 73 SER CA C 73 54.994 54.994 55.143 -0.149 19562 7558 1 15 . 1 1 73 73 SER CB C 73 66.409 66.409 65.623 0.786 19562 7559 1 15 . 1 1 73 73 SER H H 73 8.597 8.597 8.111 0.486 19562 7560 1 15 . 1 1 74 74 PHE N N 74 117.157 117.157 115.895 1.262 19562 7561 1 15 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.211 0.050 19562 7562 1 15 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.078 -0.379 19562 7563 1 15 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.243 0.660 19562 7564 1 15 . 1 1 74 74 PHE H H 74 8.050 8.050 7.694 0.356 19562 7565 1 15 . 1 1 75 75 GLU HA H 75 5.736 5.736 5.057 0.679 19562 7566 1 15 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.248 -2.539 19562 7567 1 15 . 1 1 75 75 GLU CB C 75 31.820 31.820 32.004 -0.184 19562 7568 1 15 . 1 1 76 76 SER N N 76 123.656 123.656 122.921 0.735 19562 7569 1 15 . 1 1 76 76 SER HA H 76 5.243 5.243 5.240 0.003 19562 7570 1 15 . 1 1 76 76 SER CA C 76 56.906 56.906 56.825 0.081 19562 7571 1 15 . 1 1 76 76 SER CB C 76 67.886 67.886 64.160 3.726 19562 7572 1 15 . 1 1 76 76 SER H H 76 9.930 9.930 9.069 0.861 19562 7573 1 15 . 1 1 77 77 GLY N N 77 105.906 105.906 110.436 -4.530 19562 7574 1 15 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.235 -0.235 19562 7575 1 15 . 1 1 77 77 GLY H H 77 8.939 8.939 9.030 -0.091 19562 7576 1 15 . 1 1 78 78 ARG N N 78 114.676 114.676 118.373 -3.697 19562 7577 1 15 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.613 -0.596 19562 7578 1 15 . 1 1 78 78 ARG H H 78 9.680 9.680 7.525 2.155 19562 7579 1 15 . 1 1 79 79 ARG N N 79 121.801 121.801 120.845 0.956 19562 7580 1 15 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.310 0.263 19562 7581 1 15 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.345 -2.417 19562 7582 1 15 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.236 -3.166 19562 7583 1 15 . 1 1 79 79 ARG H H 79 9.389 9.389 8.617 0.772 19562 7584 1 15 . 1 1 80 80 CYS N N 80 113.901 113.901 119.945 -6.044 19562 7585 1 15 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.642 0.246 19562 7586 1 15 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.482 -0.517 19562 7587 1 15 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.062 -0.464 19562 7588 1 15 . 1 1 80 80 CYS H H 80 7.994 7.994 8.059 -0.065 19562 7589 1 15 . 1 1 81 81 GLN N N 81 122.839 122.839 120.549 2.290 19562 7590 1 15 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.005 0.091 19562 7591 1 15 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.664 0.275 19562 7592 1 15 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.121 -0.781 19562 7593 1 15 . 1 1 81 81 GLN H H 81 8.950 8.950 8.696 0.254 19562 7594 1 15 . 1 1 82 82 THR N N 82 107.297 107.297 109.167 -1.870 19562 7595 1 15 . 1 1 82 82 THR HA H 82 4.207 4.207 4.394 -0.187 19562 7596 1 15 . 1 1 82 82 THR CA C 82 63.147 63.147 61.821 1.326 19562 7597 1 15 . 1 1 82 82 THR CB C 82 70.591 70.591 68.036 2.555 19562 7598 1 15 . 1 1 82 82 THR H H 82 8.345 8.345 8.173 0.172 19562 7599 1 15 . 1 1 83 83 GLY N N 83 112.681 112.681 110.487 2.194 19562 7600 1 15 . 1 1 83 83 GLY CA C 83 43.994 43.994 46.020 -2.026 19562 7601 1 15 . 1 1 83 83 GLY H H 83 7.820 7.820 8.408 -0.588 19562 7602 1 15 . 1 1 84 84 GLN N N 84 119.972 119.972 116.582 3.390 19562 7603 1 15 . 1 1 84 84 GLN H H 84 8.622 8.622 8.761 -0.139 19562 7604 1 15 . 1 1 85 85 GLY N N 85 111.040 111.040 105.401 5.639 19562 7605 1 15 . 1 1 85 85 GLY H H 85 8.056 8.056 8.145 -0.089 19562 7606 1 15 . 1 1 86 86 ILE N N 86 121.645 121.645 124.613 -2.968 19562 7607 1 15 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.467 -0.181 19562 7608 1 15 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.268 -2.106 19562 7609 1 15 . 1 1 86 86 ILE CB C 86 38.542 38.542 37.244 1.298 19562 7610 1 15 . 1 1 86 86 ILE H H 86 8.021 8.021 8.186 -0.165 19562 7611 1 15 . 1 1 87 87 PHE N N 87 123.890 123.890 129.737 -5.847 19562 7612 1 15 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.513 0.113 19562 7613 1 15 . 1 1 87 87 PHE CA C 87 54.944 54.944 55.053 -0.109 19562 7614 1 15 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.373 0.630 19562 7615 1 15 . 1 1 87 87 PHE H H 87 8.476 8.476 8.760 -0.284 19562 7616 1 15 . 1 1 88 88 ALA N N 88 124.824 124.824 128.785 -3.961 19562 7617 1 15 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.948 1.333 19562 7618 1 15 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.584 0.620 19562 7619 1 15 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.133 1.202 19562 7620 1 15 . 1 1 88 88 ALA H H 88 9.149 9.149 8.017 1.132 19562 7621 1 15 . 1 1 89 89 PHE N N 89 118.047 118.047 118.508 -0.461 19562 7622 1 15 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.949 0.496 19562 7623 1 15 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.868 -0.163 19562 7624 1 15 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.758 0.738 19562 7625 1 15 . 1 1 89 89 PHE H H 89 9.423 9.423 8.956 0.467 19562 7626 1 15 . 1 1 90 90 LYS N N 90 122.937 122.937 125.138 -2.201 19562 7627 1 15 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.519 0.986 19562 7628 1 15 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.371 -1.543 19562 7629 1 15 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.701 2.312 19562 7630 1 15 . 1 1 90 90 LYS H H 90 9.943 9.943 8.920 1.023 19562 7631 1 15 . 1 1 91 91 CYS N N 91 126.115 126.115 122.710 3.405 19562 7632 1 15 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.591 0.162 19562 7633 1 15 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.279 0.896 19562 7634 1 15 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.886 -1.077 19562 7635 1 15 . 1 1 91 91 CYS H H 91 9.689 9.689 8.385 1.304 19562 7636 1 15 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.490 -0.059 19562 7637 1 15 . 1 1 92 92 ALA CA C 92 54.710 54.710 53.871 0.839 19562 7638 1 15 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.473 -0.610 19562 7639 1 15 . 1 1 93 93 ARG N N 93 117.248 117.248 118.149 -0.901 19562 7640 1 15 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.269 0.743 19562 7641 1 15 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.550 0.407 19562 7642 1 15 . 1 1 93 93 ARG CB C 93 30.803 30.803 28.434 2.369 19562 7643 1 15 . 1 1 93 93 ARG H H 93 7.964 7.964 7.385 0.579 19562 7644 1 15 . 1 1 94 94 ALA N N 94 122.369 122.369 124.229 -1.860 19562 7645 1 15 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.948 -0.425 19562 7646 1 15 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.553 -0.582 19562 7647 1 15 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.705 -0.609 19562 7648 1 15 . 1 1 94 94 ALA H H 94 7.310 7.310 8.281 -0.971 19562 7649 1 15 . 1 1 95 95 GLU N N 95 116.205 116.205 117.816 -1.611 19562 7650 1 15 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.807 -0.327 19562 7651 1 15 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.106 -0.410 19562 7652 1 15 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.763 1.298 19562 7653 1 15 . 1 1 95 95 GLU H H 95 8.376 8.376 8.538 -0.162 19562 7654 1 15 . 1 1 96 96 GLU N N 96 119.188 119.188 120.479 -1.291 19562 7655 1 15 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.014 -0.047 19562 7656 1 15 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.748 0.152 19562 7657 1 15 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.014 1.016 19562 7658 1 15 . 1 1 96 96 GLU H H 96 7.418 7.418 7.984 -0.566 19562 7659 1 15 . 1 1 97 97 LEU N N 97 123.654 123.654 120.661 2.993 19562 7660 1 15 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.079 -1.065 19562 7661 1 15 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.642 0.077 19562 7662 1 15 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.899 -0.886 19562 7663 1 15 . 1 1 97 97 LEU H H 97 7.847 7.847 8.761 -0.914 19562 7664 1 15 . 1 1 98 98 PHE N N 98 118.746 118.746 119.412 -0.666 19562 7665 1 15 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.311 -0.518 19562 7666 1 15 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.502 0.195 19562 7667 1 15 . 1 1 98 98 PHE H H 98 8.076 8.076 9.091 -1.015 19562 7668 1 15 . 1 1 99 99 ASN N N 99 117.017 117.017 118.217 -1.200 19562 7669 1 15 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.247 -0.027 19562 7670 1 15 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.721 -0.255 19562 7671 1 15 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.159 -0.878 19562 7672 1 15 . 1 1 99 99 ASN H H 99 8.622 8.622 8.284 0.338 19562 7673 1 15 . 1 1 100 100 MET N N 100 121.914 121.914 119.795 2.119 19562 7674 1 15 . 1 1 100 100 MET HA H 100 4.061 4.061 4.159 -0.098 19562 7675 1 15 . 1 1 100 100 MET CA C 100 58.699 58.699 59.450 -0.751 19562 7676 1 15 . 1 1 100 100 MET CB C 100 32.048 32.048 32.507 -0.459 19562 7677 1 15 . 1 1 100 100 MET H H 100 8.316 8.316 8.439 -0.123 19562 7678 1 15 . 1 1 101 101 LEU N N 101 121.094 121.094 120.449 0.645 19562 7679 1 15 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.049 -0.469 19562 7680 1 15 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.299 -0.873 19562 7681 1 15 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.400 -0.300 19562 7682 1 15 . 1 1 101 101 LEU H H 101 8.047 8.047 8.698 -0.651 19562 7683 1 15 . 1 1 102 102 GLN N N 102 116.417 116.417 117.183 -0.766 19562 7684 1 15 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.119 -0.205 19562 7685 1 15 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.997 -0.551 19562 7686 1 15 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.335 0.352 19562 7687 1 15 . 1 1 102 102 GLN H H 102 8.195 8.195 8.437 -0.242 19562 7688 1 15 . 1 1 103 103 GLU N N 103 119.096 119.096 120.501 -1.405 19562 7689 1 15 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.055 -0.147 19562 7690 1 15 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.835 0.082 19562 7691 1 15 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.480 -0.419 19562 7692 1 15 . 1 1 103 103 GLU H H 103 7.635 7.635 8.381 -0.746 19562 7693 1 15 . 1 1 104 104 ILE N N 104 120.803 120.803 121.468 -0.665 19562 7694 1 15 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.558 0.043 19562 7695 1 15 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.077 -1.367 19562 7696 1 15 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.823 0.227 19562 7697 1 15 . 1 1 104 104 ILE H H 104 7.965 7.965 8.815 -0.850 19562 7698 1 15 . 1 1 105 105 MET N N 105 117.016 117.016 118.594 -1.578 19562 7699 1 15 . 1 1 105 105 MET HA H 105 4.020 4.020 4.157 -0.137 19562 7700 1 15 . 1 1 105 105 MET CA C 105 57.384 57.384 59.669 -2.285 19562 7701 1 15 . 1 1 105 105 MET H H 105 8.145 8.145 8.503 -0.358 19562 7702 1 15 . 1 1 106 106 GLN N N 106 116.150 116.150 116.749 -0.599 19562 7703 1 15 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.125 0.078 19562 7704 1 15 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.386 -1.745 19562 7705 1 15 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.625 -0.512 19562 7706 1 15 . 1 1 106 106 GLN H H 106 7.930 7.930 8.143 -0.213 19562 7707 1 15 . 1 1 107 107 ASN N N 107 117.360 117.360 114.642 2.718 19562 7708 1 15 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.820 -0.100 19562 7709 1 15 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.337 -0.840 19562 7710 1 15 . 1 1 107 107 ASN CB C 107 38.559 38.559 40.325 -1.766 19562 7711 1 15 . 1 1 107 107 ASN H H 107 7.872 7.872 8.353 -0.481 19562 7712 1 15 . 1 1 108 108 ASN N N 108 118.611 118.611 117.823 0.788 19562 7713 1 15 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.803 -0.043 19562 7714 1 15 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.464 -1.764 19562 7715 1 15 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.757 -1.239 19562 7716 1 15 . 1 1 108 108 ASN H H 108 8.144 8.144 8.337 -0.193 19562 7717 1 15 . 1 1 109 109 SER N N 109 115.704 115.704 114.454 1.250 19562 7718 1 15 . 1 1 109 109 SER HA H 109 4.519 4.519 4.094 0.425 19562 7719 1 15 . 1 1 109 109 SER CA C 109 57.700 57.700 60.343 -2.643 19562 7720 1 15 . 1 1 109 109 SER CB C 109 63.150 63.150 62.571 0.579 19562 7721 1 15 . 1 1 109 109 SER H H 109 8.215 8.215 7.855 0.360 19562 7722 1 15 . 1 1 110 110 ILE N N 110 121.954 121.954 120.396 1.558 19562 7723 1 15 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.680 0.532 19562 7724 1 15 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.384 -1.498 19562 7725 1 15 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.371 1.864 19562 7726 1 15 . 1 1 110 110 ILE H H 110 8.061 8.061 7.867 0.194 19562 7727 1 15 . 1 1 111 111 ASN N N 111 122.386 122.386 123.599 -1.213 19562 7728 1 15 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.970 -0.188 19562 7729 1 15 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.825 -0.090 19562 7730 1 15 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.010 -2.210 19562 7731 1 15 . 1 1 111 111 ASN H H 111 8.376 8.376 8.433 -0.057 19562 7732 1 15 . 1 1 112 112 VAL N N 112 120.830 120.830 124.175 -3.345 19562 7733 1 15 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.352 -0.167 19562 7734 1 15 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.212 -0.552 19562 7735 1 15 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.615 0.715 19562 7736 1 15 . 1 1 112 112 VAL H H 112 8.067 8.067 8.514 -0.447 19562 7737 1 15 . 1 1 113 113 VAL N N 113 124.249 124.249 120.535 3.714 19562 7738 1 15 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.716 0.399 19562 7739 1 15 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.480 -2.030 19562 7740 1 15 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.608 -0.264 19562 7741 1 15 . 1 1 113 113 VAL H H 113 8.167 8.167 7.688 0.479 19562 7742 1 15 . 1 1 114 114 GLU N N 114 125.288 125.288 120.942 4.346 19562 7743 1 15 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.156 0.153 19562 7744 1 15 . 1 1 114 114 GLU CA C 114 55.690 55.690 56.926 -1.236 19562 7745 1 15 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.300 0.750 19562 7746 1 15 . 1 1 114 114 GLU H H 114 8.405 8.405 8.291 0.114 19562 7747 1 15 . 1 1 115 115 GLU N N 115 123.990 123.990 121.550 2.440 19562 7748 1 15 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.675 -0.112 19562 7749 1 15 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.040 -0.315 19562 7750 1 15 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.418 -0.983 19562 7751 1 15 . 1 1 115 115 GLU H H 115 8.392 8.392 8.246 0.146 19562 7752 1 15 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.391 0.039 19562 7753 1 15 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.502 0.168 19562 7754 1 15 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.832 0.823 19562 7755 1 15 . 1 1 117 117 VAL N N 117 121.339 121.339 117.316 4.023 19562 7756 1 15 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.686 0.390 19562 7757 1 15 . 1 1 117 117 VAL CA C 117 61.990 61.990 61.798 0.192 19562 7758 1 15 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.466 0.354 19562 7759 1 15 . 1 1 117 117 VAL H H 117 8.266 8.266 8.021 0.245 19562 7760 1 15 . 1 1 118 118 VAL N N 118 124.762 124.762 126.095 -1.333 19562 7761 1 15 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.035 0.081 19562 7762 1 15 . 1 1 118 118 VAL H H 118 8.202 8.202 8.303 -0.101 19562 7763 1 15 . 1 1 119 119 GLU N N 119 125.304 125.304 125.559 -0.255 19562 7764 1 15 . 1 1 119 119 GLU H H 119 8.479 8.479 8.607 -0.128 19562 7765 1 15 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.270 0.125 19562 7766 1 15 . 1 1 120 120 ARG CA C 120 55.350 55.350 57.088 -1.738 19562 7767 1 15 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.859 -0.294 19562 7768 1 15 . 1 1 121 121 ASN N N 121 120.465 120.465 122.627 -2.162 19562 7769 1 15 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.785 -0.031 19562 7770 1 15 . 1 1 121 121 ASN H H 121 8.536 8.536 8.657 -0.121 19562 7771 1 16 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.737 -0.118 19562 7772 1 16 . 1 1 9 9 HIS CA C 9 56.148 56.148 58.489 -2.341 19562 7773 1 16 . 1 1 9 9 HIS CB C 9 29.609 29.609 29.763 -0.154 19562 7774 1 16 . 1 1 10 10 MET N N 10 120.964 120.964 118.880 2.084 19562 7775 1 16 . 1 1 10 10 MET HA H 10 4.395 4.395 4.173 0.222 19562 7776 1 16 . 1 1 10 10 MET CA C 10 55.153 55.153 58.638 -3.485 19562 7777 1 16 . 1 1 10 10 MET CB C 10 32.293 32.293 32.383 -0.090 19562 7778 1 16 . 1 1 10 10 MET H H 10 8.274 8.274 7.923 0.351 19562 7779 1 16 . 1 1 11 11 ASP N N 11 120.989 120.989 119.156 1.833 19562 7780 1 16 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.473 0.273 19562 7781 1 16 . 1 1 11 11 ASP CA C 11 54.200 54.200 56.304 -2.104 19562 7782 1 16 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.765 -1.565 19562 7783 1 16 . 1 1 11 11 ASP H H 11 8.281 8.281 7.957 0.324 19562 7784 1 16 . 1 1 12 12 THR N N 12 113.244 113.244 113.475 -0.231 19562 7785 1 16 . 1 1 12 12 THR HA H 12 4.312 4.312 4.139 0.173 19562 7786 1 16 . 1 1 12 12 THR CA C 12 61.218 61.218 63.645 -2.428 19562 7787 1 16 . 1 1 12 12 THR CB C 12 69.316 69.316 69.796 -0.480 19562 7788 1 16 . 1 1 12 12 THR H H 12 7.979 7.979 8.238 -0.259 19562 7789 1 16 . 1 1 13 13 VAL N N 13 123.579 123.579 121.033 2.546 19562 7790 1 16 . 1 1 13 13 VAL HA H 13 4.404 4.404 3.860 0.544 19562 7791 1 16 . 1 1 13 13 VAL CA C 13 59.234 59.234 63.725 -4.491 19562 7792 1 16 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.196 0.103 19562 7793 1 16 . 1 1 13 13 VAL H H 13 8.021 8.021 7.615 0.406 19562 7794 1 16 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.575 -0.148 19562 7795 1 16 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.714 0.186 19562 7796 1 16 . 1 1 14 14 PRO CB C 14 31.790 31.790 30.759 1.031 19562 7797 1 16 . 1 1 15 15 ASP N N 15 120.556 120.556 119.653 0.903 19562 7798 1 16 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.186 0.266 19562 7799 1 16 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.829 -2.408 19562 7800 1 16 . 1 1 15 15 ASP CB C 15 40.558 40.558 39.637 0.921 19562 7801 1 16 . 1 1 15 15 ASP H H 15 8.471 8.471 8.597 -0.126 19562 7802 1 16 . 1 1 16 16 ASN N N 16 116.991 116.991 117.514 -0.523 19562 7803 1 16 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.966 -0.362 19562 7804 1 16 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.711 -0.429 19562 7805 1 16 . 1 1 16 16 ASN CB C 16 37.731 37.731 42.128 -4.397 19562 7806 1 16 . 1 1 16 16 ASN H H 16 8.111 8.111 8.315 -0.204 19562 7807 1 16 . 1 1 17 17 HIS N N 17 119.335 119.335 119.501 -0.166 19562 7808 1 16 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.760 -0.348 19562 7809 1 16 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.929 0.507 19562 7810 1 16 . 1 1 17 17 HIS CB C 17 30.009 30.009 31.645 -1.636 19562 7811 1 16 . 1 1 17 17 HIS H H 17 8.014 8.014 8.616 -0.602 19562 7812 1 16 . 1 1 18 18 ARG N N 18 122.269 122.269 127.866 -5.597 19562 7813 1 16 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.886 0.097 19562 7814 1 16 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.086 -0.667 19562 7815 1 16 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.152 -0.371 19562 7816 1 16 . 1 1 18 18 ARG H H 18 8.209 8.209 8.572 -0.363 19562 7817 1 16 . 1 1 19 19 ASN N N 19 114.495 114.495 113.896 0.599 19562 7818 1 16 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.298 0.417 19562 7819 1 16 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.778 -2.055 19562 7820 1 16 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.640 -0.606 19562 7821 1 16 . 1 1 19 19 ASN H H 19 8.565 8.565 7.983 0.582 19562 7822 1 16 . 1 1 20 20 LYS N N 20 117.932 117.932 121.268 -3.336 19562 7823 1 16 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.421 0.836 19562 7824 1 16 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.358 -0.622 19562 7825 1 16 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.937 3.078 19562 7826 1 16 . 1 1 20 20 LYS H H 20 7.040 7.040 7.167 -0.127 19562 7827 1 16 . 1 1 21 21 PHE N N 21 120.620 120.620 127.882 -7.262 19562 7828 1 16 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.613 -0.104 19562 7829 1 16 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.589 1.332 19562 7830 1 16 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.700 0.499 19562 7831 1 16 . 1 1 21 21 PHE H H 21 9.389 9.389 8.274 1.115 19562 7832 1 16 . 1 1 22 22 LYS N N 22 125.637 125.637 127.209 -1.572 19562 7833 1 16 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.467 0.270 19562 7834 1 16 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.987 0.985 19562 7835 1 16 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.299 0.007 19562 7836 1 16 . 1 1 22 22 LYS H H 22 9.258 9.258 9.016 0.242 19562 7837 1 16 . 1 1 23 23 VAL N N 23 118.282 118.282 118.672 -0.390 19562 7838 1 16 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.442 1.185 19562 7839 1 16 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.314 -0.929 19562 7840 1 16 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.057 2.459 19562 7841 1 16 . 1 1 23 23 VAL H H 23 8.672 8.672 7.514 1.158 19562 7842 1 16 . 1 1 24 24 ILE N N 24 120.397 120.397 118.951 1.446 19562 7843 1 16 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.429 0.384 19562 7844 1 16 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.904 0.258 19562 7845 1 16 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.249 2.819 19562 7846 1 16 . 1 1 24 24 ILE H H 24 8.824 8.824 8.302 0.522 19562 7847 1 16 . 1 1 25 25 ASN N N 25 127.655 127.655 126.611 1.044 19562 7848 1 16 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.875 -0.374 19562 7849 1 16 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.420 0.781 19562 7850 1 16 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.272 1.248 19562 7851 1 16 . 1 1 25 25 ASN H H 25 9.232 9.232 8.569 0.663 19562 7852 1 16 . 1 1 26 26 VAL N N 26 116.322 116.322 115.546 0.776 19562 7853 1 16 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.175 0.367 19562 7854 1 16 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.743 -1.971 19562 7855 1 16 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.325 0.945 19562 7856 1 16 . 1 1 26 26 VAL H H 26 7.680 7.680 7.598 0.082 19562 7857 1 16 . 1 1 27 27 ASP N N 27 117.000 117.000 126.032 -9.032 19562 7858 1 16 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.831 -0.738 19562 7859 1 16 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.441 -2.479 19562 7860 1 16 . 1 1 27 27 ASP H H 27 7.500 7.500 8.163 -0.663 19562 7861 1 16 . 1 1 28 28 ASP N N 28 112.540 112.540 124.619 -12.079 19562 7862 1 16 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.307 -0.136 19562 7863 1 16 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.040 0.258 19562 7864 1 16 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.924 -0.840 19562 7865 1 16 . 1 1 28 28 ASP H H 28 7.922 7.922 8.918 -0.996 19562 7866 1 16 . 1 1 29 29 ASP N N 29 115.319 115.319 116.498 -1.179 19562 7867 1 16 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.663 0.082 19562 7868 1 16 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.816 -0.365 19562 7869 1 16 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.510 0.494 19562 7870 1 16 . 1 1 29 29 ASP H H 29 7.809 7.809 8.010 -0.201 19562 7871 1 16 . 1 1 30 30 GLY N N 30 108.887 108.887 108.922 -0.035 19562 7872 1 16 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.357 -0.868 19562 7873 1 16 . 1 1 30 30 GLY H H 30 8.196 8.196 8.242 -0.046 19562 7874 1 16 . 1 1 31 31 ASN N N 31 119.906 119.906 118.616 1.290 19562 7875 1 16 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.724 -0.241 19562 7876 1 16 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.544 0.657 19562 7877 1 16 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.684 -2.073 19562 7878 1 16 . 1 1 31 31 ASN H H 31 8.643 8.643 8.054 0.589 19562 7879 1 16 . 1 1 32 32 GLU N N 32 119.114 119.114 123.849 -4.735 19562 7880 1 16 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.123 -0.224 19562 7881 1 16 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.407 0.054 19562 7882 1 16 . 1 1 32 32 GLU H H 32 8.525 8.525 8.874 -0.350 19562 7883 1 16 . 1 1 33 33 LEU N N 33 126.117 126.117 122.926 3.191 19562 7884 1 16 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.504 0.105 19562 7885 1 16 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.971 -1.046 19562 7886 1 16 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.451 -0.695 19562 7887 1 16 . 1 1 33 33 LEU H H 33 8.817 8.817 8.072 0.745 19562 7888 1 16 . 1 1 34 34 GLY N N 34 108.970 108.970 106.065 2.905 19562 7889 1 16 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.417 0.572 19562 7890 1 16 . 1 1 34 34 GLY H H 34 8.228 8.228 7.396 0.832 19562 7891 1 16 . 1 1 35 35 SER N N 35 118.388 118.388 117.351 1.037 19562 7892 1 16 . 1 1 35 35 SER HA H 35 5.465 5.465 5.059 0.406 19562 7893 1 16 . 1 1 35 35 SER CA C 35 57.205 57.205 56.804 0.401 19562 7894 1 16 . 1 1 35 35 SER CB C 35 65.393 65.393 64.948 0.445 19562 7895 1 16 . 1 1 35 35 SER H H 35 8.776 8.776 8.501 0.275 19562 7896 1 16 . 1 1 36 36 GLY N N 36 109.081 109.081 110.634 -1.553 19562 7897 1 16 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.621 1.864 19562 7898 1 16 . 1 1 36 36 GLY H H 36 9.013 9.013 8.427 0.586 19562 7899 1 16 . 1 1 37 37 ILE N N 37 121.560 121.560 118.689 2.871 19562 7900 1 16 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.630 0.474 19562 7901 1 16 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.246 -1.124 19562 7902 1 16 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.744 -1.279 19562 7903 1 16 . 1 1 37 37 ILE H H 37 8.779 8.779 8.338 0.441 19562 7904 1 16 . 1 1 38 38 MET N N 38 128.553 128.553 122.931 5.622 19562 7905 1 16 . 1 1 38 38 MET HA H 38 5.735 5.735 4.815 0.920 19562 7906 1 16 . 1 1 38 38 MET CA C 38 53.008 53.008 53.445 -0.437 19562 7907 1 16 . 1 1 38 38 MET CB C 38 36.446 36.446 34.587 1.859 19562 7908 1 16 . 1 1 38 38 MET H H 38 9.827 9.827 9.415 0.412 19562 7909 1 16 . 1 1 39 39 GLU N N 39 129.378 129.378 127.914 1.464 19562 7910 1 16 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.599 0.901 19562 7911 1 16 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.608 -2.152 19562 7912 1 16 . 1 1 39 39 GLU CB C 39 34.536 34.536 30.167 4.369 19562 7913 1 16 . 1 1 39 39 GLU H H 39 10.160 10.160 9.122 1.038 19562 7914 1 16 . 1 1 40 40 LEU N N 40 127.174 127.174 130.642 -3.468 19562 7915 1 16 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.613 0.465 19562 7916 1 16 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.334 0.106 19562 7917 1 16 . 1 1 40 40 LEU CB C 40 42.013 42.013 42.083 -0.070 19562 7918 1 16 . 1 1 40 40 LEU H H 40 8.334 8.334 9.015 -0.681 19562 7919 1 16 . 1 1 41 41 THR N N 41 115.971 115.971 117.583 -1.612 19562 7920 1 16 . 1 1 41 41 THR HA H 41 5.012 5.012 4.650 0.362 19562 7921 1 16 . 1 1 41 41 THR CA C 41 59.113 59.113 59.740 -0.628 19562 7922 1 16 . 1 1 41 41 THR CB C 41 69.295 69.295 70.656 -1.361 19562 7923 1 16 . 1 1 41 41 THR H H 41 8.682 8.682 8.403 0.279 19562 7924 1 16 . 1 1 42 42 ASP N N 42 117.467 117.467 117.363 0.104 19562 7925 1 16 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.223 0.392 19562 7926 1 16 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.538 -0.846 19562 7927 1 16 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.650 -0.859 19562 7928 1 16 . 1 1 42 42 ASP H H 42 8.794 8.794 8.638 0.156 19562 7929 1 16 . 1 1 43 43 THR N N 43 104.010 104.010 105.662 -1.652 19562 7930 1 16 . 1 1 43 43 THR HA H 43 4.412 4.412 3.456 0.956 19562 7931 1 16 . 1 1 43 43 THR CA C 43 61.601 61.601 61.466 0.135 19562 7932 1 16 . 1 1 43 43 THR CB C 43 71.362 71.362 70.786 0.576 19562 7933 1 16 . 1 1 43 43 THR H H 43 7.763 7.763 7.246 0.517 19562 7934 1 16 . 1 1 44 44 GLU N N 44 118.980 118.980 121.925 -2.945 19562 7935 1 16 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.972 -0.802 19562 7936 1 16 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.026 -1.086 19562 7937 1 16 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.128 0.359 19562 7938 1 16 . 1 1 44 44 GLU H H 44 7.263 7.263 8.038 -0.775 19562 7939 1 16 . 1 1 45 45 LEU N N 45 122.138 122.138 127.721 -5.583 19562 7940 1 16 . 1 1 45 45 LEU HA H 45 4.972 4.972 5.033 -0.061 19562 7941 1 16 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.358 -0.637 19562 7942 1 16 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.563 1.675 19562 7943 1 16 . 1 1 45 45 LEU H H 45 8.314 8.314 9.264 -0.950 19562 7944 1 16 . 1 1 46 46 ILE N N 46 124.244 124.244 125.972 -1.728 19562 7945 1 16 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.440 0.284 19562 7946 1 16 . 1 1 46 46 ILE CA C 46 60.310 60.310 60.281 0.029 19562 7947 1 16 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.770 3.720 19562 7948 1 16 . 1 1 46 46 ILE H H 46 9.154 9.154 9.154 0.000 19562 7949 1 16 . 1 1 47 47 LEU N N 47 127.510 127.510 131.839 -4.329 19562 7950 1 16 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.914 0.352 19562 7951 1 16 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.014 -1.308 19562 7952 1 16 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.660 3.076 19562 7953 1 16 . 1 1 47 47 LEU H H 47 9.378 9.378 8.559 0.819 19562 7954 1 16 . 1 1 48 48 TYR N N 48 128.014 128.014 127.419 0.595 19562 7955 1 16 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.743 0.291 19562 7956 1 16 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.380 0.057 19562 7957 1 16 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.727 2.064 19562 7958 1 16 . 1 1 48 48 TYR H H 48 9.724 9.724 8.730 0.994 19562 7959 1 16 . 1 1 49 49 THR N N 49 115.097 115.097 115.915 -0.818 19562 7960 1 16 . 1 1 49 49 THR HA H 49 4.813 4.813 4.594 0.219 19562 7961 1 16 . 1 1 49 49 THR CA C 49 60.349 60.349 60.668 -0.319 19562 7962 1 16 . 1 1 49 49 THR CB C 49 70.967 70.967 70.753 0.214 19562 7963 1 16 . 1 1 49 49 THR H H 49 8.659 8.659 7.788 0.871 19562 7964 1 16 . 1 1 50 50 ARG N N 50 120.411 120.411 120.671 -0.260 19562 7965 1 16 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.143 0.056 19562 7966 1 16 . 1 1 50 50 ARG CA C 50 57.447 57.447 59.364 -1.917 19562 7967 1 16 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.402 -0.628 19562 7968 1 16 . 1 1 50 50 ARG H H 50 8.649 8.649 8.913 -0.264 19562 7969 1 16 . 1 1 51 51 LYS N N 51 117.579 117.579 116.894 0.685 19562 7970 1 16 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.472 -0.309 19562 7971 1 16 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.622 0.056 19562 7972 1 16 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.651 -1.294 19562 7973 1 16 . 1 1 51 51 LYS H H 51 8.406 8.406 8.111 0.295 19562 7974 1 16 . 1 1 52 52 ARG N N 52 116.662 116.662 121.321 -4.659 19562 7975 1 16 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.268 0.174 19562 7976 1 16 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.694 -1.389 19562 7977 1 16 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.925 0.825 19562 7978 1 16 . 1 1 52 52 ARG H H 52 7.973 7.973 7.987 -0.014 19562 7979 1 16 . 1 1 53 53 ASP N N 53 119.760 119.760 115.866 3.894 19562 7980 1 16 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.351 0.409 19562 7981 1 16 . 1 1 53 53 ASP CA C 53 53.891 53.891 55.115 -1.224 19562 7982 1 16 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.090 -0.083 19562 7983 1 16 . 1 1 53 53 ASP H H 53 8.066 8.066 7.902 0.164 19562 7984 1 16 . 1 1 54 54 SER N N 54 116.756 116.756 116.892 -0.136 19562 7985 1 16 . 1 1 54 54 SER HA H 54 4.891 4.891 4.105 0.786 19562 7986 1 16 . 1 1 54 54 SER CA C 54 57.072 57.072 59.494 -2.422 19562 7987 1 16 . 1 1 54 54 SER CB C 54 64.473 64.473 61.398 3.075 19562 7988 1 16 . 1 1 54 54 SER H H 54 8.477 8.477 8.381 0.096 19562 7989 1 16 . 1 1 55 55 VAL N N 55 122.716 122.716 124.566 -1.850 19562 7990 1 16 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.971 -0.023 19562 7991 1 16 . 1 1 55 55 VAL CA C 55 60.456 60.456 62.767 -2.311 19562 7992 1 16 . 1 1 55 55 VAL CB C 55 33.538 33.538 33.141 0.397 19562 7993 1 16 . 1 1 55 55 VAL H H 55 8.334 8.334 8.836 -0.502 19562 7994 1 16 . 1 1 56 56 LYS N N 56 121.568 121.568 119.567 2.001 19562 7995 1 16 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.982 0.289 19562 7996 1 16 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.414 -0.723 19562 7997 1 16 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.106 0.697 19562 7998 1 16 . 1 1 56 56 LYS H H 56 7.501 7.501 7.858 -0.357 19562 7999 1 16 . 1 1 57 57 TRP N N 57 123.638 123.638 121.460 2.178 19562 8000 1 16 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.858 -0.193 19562 8001 1 16 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.228 1.534 19562 8002 1 16 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.271 0.279 19562 8003 1 16 . 1 1 57 57 TRP H H 57 9.453 9.453 8.704 0.749 19562 8004 1 16 . 1 1 58 58 HIS N N 58 125.312 125.312 125.619 -0.307 19562 8005 1 16 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.025 -0.486 19562 8006 1 16 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.675 -0.491 19562 8007 1 16 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.354 -1.029 19562 8008 1 16 . 1 1 58 58 HIS H H 58 9.024 9.024 8.692 0.332 19562 8009 1 16 . 1 1 59 59 TYR N N 59 126.691 126.691 123.488 3.203 19562 8010 1 16 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.242 0.110 19562 8011 1 16 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.855 -0.155 19562 8012 1 16 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.181 -1.655 19562 8013 1 16 . 1 1 59 59 TYR H H 59 8.079 8.079 8.613 -0.534 19562 8014 1 16 . 1 1 60 60 LEU N N 60 114.859 114.859 117.454 -2.595 19562 8015 1 16 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.361 -0.124 19562 8016 1 16 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.178 0.921 19562 8017 1 16 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.481 0.073 19562 8018 1 16 . 1 1 60 60 LEU H H 60 9.307 9.307 8.060 1.247 19562 8019 1 16 . 1 1 61 61 CYS N N 61 114.415 114.415 116.500 -2.085 19562 8020 1 16 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.603 0.643 19562 8021 1 16 . 1 1 61 61 CYS CA C 61 57.433 57.433 57.880 -0.447 19562 8022 1 16 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.673 -2.607 19562 8023 1 16 . 1 1 61 61 CYS H H 61 8.421 8.421 7.818 0.603 19562 8024 1 16 . 1 1 62 62 LEU N N 62 122.413 122.413 122.160 0.253 19562 8025 1 16 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.206 0.541 19562 8026 1 16 . 1 1 62 62 LEU CA C 62 54.438 54.438 57.500 -3.062 19562 8027 1 16 . 1 1 62 62 LEU CB C 62 41.039 41.039 41.593 -0.554 19562 8028 1 16 . 1 1 62 62 LEU H H 62 7.702 7.702 7.435 0.267 19562 8029 1 16 . 1 1 63 63 ARG N N 63 122.839 122.839 121.387 1.452 19562 8030 1 16 . 1 1 63 63 ARG H H 63 9.301 9.301 9.133 0.168 19562 8031 1 16 . 1 1 64 64 ARG N N 64 111.512 111.512 119.961 -8.449 19562 8032 1 16 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.657 0.829 19562 8033 1 16 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.276 -1.631 19562 8034 1 16 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.319 3.686 19562 8035 1 16 . 1 1 64 64 ARG H H 64 7.457 7.457 7.766 -0.309 19562 8036 1 16 . 1 1 65 65 TYR N N 65 115.127 115.127 120.455 -5.328 19562 8037 1 16 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.187 0.353 19562 8038 1 16 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.213 0.976 19562 8039 1 16 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.909 -1.395 19562 8040 1 16 . 1 1 65 65 TYR H H 65 8.340 8.340 8.505 -0.165 19562 8041 1 16 . 1 1 66 66 GLY N N 66 104.938 104.938 108.602 -3.664 19562 8042 1 16 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.550 2.350 19562 8043 1 16 . 1 1 66 66 GLY H H 66 8.950 8.950 8.672 0.278 19562 8044 1 16 . 1 1 67 67 TYR N N 67 117.143 117.143 119.706 -2.563 19562 8045 1 16 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.569 -0.007 19562 8046 1 16 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.730 -1.244 19562 8047 1 16 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.725 1.622 19562 8048 1 16 . 1 1 67 67 TYR H H 67 8.022 8.022 7.886 0.136 19562 8049 1 16 . 1 1 68 68 ASP N N 68 119.290 119.290 128.007 -8.717 19562 8050 1 16 . 1 1 68 68 ASP HA H 68 3.830 3.830 3.945 -0.115 19562 8051 1 16 . 1 1 68 68 ASP CA C 68 55.442 55.442 54.016 1.426 19562 8052 1 16 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.054 3.962 19562 8053 1 16 . 1 1 68 68 ASP H H 68 8.656 8.656 8.965 -0.309 19562 8054 1 16 . 1 1 69 69 SER N N 69 119.561 119.561 122.805 -3.244 19562 8055 1 16 . 1 1 69 69 SER HA H 69 4.040 4.040 4.164 -0.124 19562 8056 1 16 . 1 1 69 69 SER CB C 69 59.170 59.170 61.976 -2.806 19562 8057 1 16 . 1 1 69 69 SER H H 69 8.957 8.957 8.597 0.360 19562 8058 1 16 . 1 1 70 70 ASN N N 70 119.438 119.438 112.256 7.182 19562 8059 1 16 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.527 0.605 19562 8060 1 16 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.789 -2.801 19562 8061 1 16 . 1 1 70 70 ASN CB C 70 37.278 37.278 36.954 0.324 19562 8062 1 16 . 1 1 70 70 ASN H H 70 8.502 8.502 8.930 -0.428 19562 8063 1 16 . 1 1 71 71 LEU N N 71 120.481 120.481 119.815 0.666 19562 8064 1 16 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.783 0.782 19562 8065 1 16 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.977 -0.526 19562 8066 1 16 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.467 2.269 19562 8067 1 16 . 1 1 71 71 LEU H H 71 8.807 8.807 7.588 1.219 19562 8068 1 16 . 1 1 72 72 PHE N N 72 120.815 120.815 127.316 -6.501 19562 8069 1 16 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.454 0.073 19562 8070 1 16 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.320 -0.136 19562 8071 1 16 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.486 1.377 19562 8072 1 16 . 1 1 72 72 PHE H H 72 9.439 9.439 9.713 -0.274 19562 8073 1 16 . 1 1 73 73 SER N N 73 120.270 120.270 119.214 1.056 19562 8074 1 16 . 1 1 73 73 SER HA H 73 5.387 5.387 4.445 0.942 19562 8075 1 16 . 1 1 73 73 SER CA C 73 54.994 54.994 55.098 -0.104 19562 8076 1 16 . 1 1 73 73 SER CB C 73 66.409 66.409 65.482 0.927 19562 8077 1 16 . 1 1 73 73 SER H H 73 8.597 8.597 8.242 0.355 19562 8078 1 16 . 1 1 74 74 PHE N N 74 117.157 117.157 117.066 0.091 19562 8079 1 16 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.372 -0.111 19562 8080 1 16 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.717 -0.018 19562 8081 1 16 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.287 0.616 19562 8082 1 16 . 1 1 74 74 PHE H H 74 8.050 8.050 8.002 0.048 19562 8083 1 16 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.967 0.769 19562 8084 1 16 . 1 1 75 75 GLU CA C 75 51.709 51.709 55.156 -3.447 19562 8085 1 16 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.091 0.729 19562 8086 1 16 . 1 1 76 76 SER N N 76 123.656 123.656 123.736 -0.080 19562 8087 1 16 . 1 1 76 76 SER HA H 76 5.243 5.243 5.519 -0.276 19562 8088 1 16 . 1 1 76 76 SER CA C 76 56.906 56.906 57.009 -0.103 19562 8089 1 16 . 1 1 76 76 SER CB C 76 67.886 67.886 65.091 2.795 19562 8090 1 16 . 1 1 76 76 SER H H 76 9.930 9.930 8.946 0.984 19562 8091 1 16 . 1 1 77 77 GLY N N 77 105.906 105.906 111.232 -5.326 19562 8092 1 16 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.288 0.711 19562 8093 1 16 . 1 1 77 77 GLY H H 77 8.939 8.939 9.018 -0.079 19562 8094 1 16 . 1 1 78 78 ARG N N 78 114.676 114.676 117.597 -2.921 19562 8095 1 16 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.001 0.016 19562 8096 1 16 . 1 1 78 78 ARG H H 78 9.680 9.680 8.407 1.273 19562 8097 1 16 . 1 1 79 79 ARG N N 79 121.801 121.801 120.436 1.365 19562 8098 1 16 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.442 0.131 19562 8099 1 16 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.163 -1.235 19562 8100 1 16 . 1 1 79 79 ARG CB C 79 27.070 27.070 31.076 -4.006 19562 8101 1 16 . 1 1 79 79 ARG H H 79 9.389 9.389 8.523 0.866 19562 8102 1 16 . 1 1 80 80 CYS N N 80 113.901 113.901 118.738 -4.837 19562 8103 1 16 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.726 0.162 19562 8104 1 16 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.457 -1.492 19562 8105 1 16 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.108 -1.510 19562 8106 1 16 . 1 1 80 80 CYS H H 80 7.994 7.994 8.340 -0.346 19562 8107 1 16 . 1 1 81 81 GLN N N 81 122.839 122.839 123.105 -0.266 19562 8108 1 16 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.013 0.083 19562 8109 1 16 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.448 0.491 19562 8110 1 16 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.075 -0.735 19562 8111 1 16 . 1 1 81 81 GLN H H 81 8.950 8.950 8.821 0.129 19562 8112 1 16 . 1 1 82 82 THR N N 82 107.297 107.297 109.784 -2.487 19562 8113 1 16 . 1 1 82 82 THR HA H 82 4.207 4.207 4.470 -0.263 19562 8114 1 16 . 1 1 82 82 THR CA C 82 63.147 63.147 62.019 1.128 19562 8115 1 16 . 1 1 82 82 THR CB C 82 70.591 70.591 69.427 1.164 19562 8116 1 16 . 1 1 82 82 THR H H 82 8.345 8.345 8.296 0.049 19562 8117 1 16 . 1 1 83 83 GLY N N 83 112.681 112.681 110.230 2.451 19562 8118 1 16 . 1 1 83 83 GLY CA C 83 43.994 43.994 44.727 -0.733 19562 8119 1 16 . 1 1 83 83 GLY H H 83 7.820 7.820 7.998 -0.178 19562 8120 1 16 . 1 1 84 84 GLN N N 84 119.972 119.972 123.166 -3.194 19562 8121 1 16 . 1 1 84 84 GLN H H 84 8.622 8.622 8.343 0.279 19562 8122 1 16 . 1 1 85 85 GLY N N 85 111.040 111.040 106.140 4.900 19562 8123 1 16 . 1 1 85 85 GLY H H 85 8.056 8.056 8.251 -0.195 19562 8124 1 16 . 1 1 86 86 ILE N N 86 121.645 121.645 124.442 -2.797 19562 8125 1 16 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.197 0.089 19562 8126 1 16 . 1 1 86 86 ILE CA C 86 60.162 60.162 60.576 -0.414 19562 8127 1 16 . 1 1 86 86 ILE CB C 86 38.542 38.542 35.870 2.672 19562 8128 1 16 . 1 1 86 86 ILE H H 86 8.021 8.021 8.157 -0.136 19562 8129 1 16 . 1 1 87 87 PHE N N 87 123.890 123.890 130.230 -6.340 19562 8130 1 16 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.531 0.095 19562 8131 1 16 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.163 0.780 19562 8132 1 16 . 1 1 87 87 PHE CB C 87 42.003 42.003 40.928 1.075 19562 8133 1 16 . 1 1 87 87 PHE H H 87 8.476 8.476 8.678 -0.202 19562 8134 1 16 . 1 1 88 88 ALA N N 88 124.824 124.824 129.346 -4.522 19562 8135 1 16 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.099 1.182 19562 8136 1 16 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.727 0.477 19562 8137 1 16 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.165 1.170 19562 8138 1 16 . 1 1 88 88 ALA H H 88 9.149 9.149 8.161 0.988 19562 8139 1 16 . 1 1 89 89 PHE N N 89 118.047 118.047 119.261 -1.214 19562 8140 1 16 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.953 0.492 19562 8141 1 16 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.829 -0.124 19562 8142 1 16 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.700 0.796 19562 8143 1 16 . 1 1 89 89 PHE H H 89 9.423 9.423 9.043 0.381 19562 8144 1 16 . 1 1 90 90 LYS N N 90 122.937 122.937 124.983 -2.046 19562 8145 1 16 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.552 0.953 19562 8146 1 16 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.240 -1.412 19562 8147 1 16 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.666 2.347 19562 8148 1 16 . 1 1 90 90 LYS H H 90 9.943 9.943 9.105 0.838 19562 8149 1 16 . 1 1 91 91 CYS N N 91 126.115 126.115 123.634 2.481 19562 8150 1 16 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.565 0.188 19562 8151 1 16 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.176 0.999 19562 8152 1 16 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.255 -0.446 19562 8153 1 16 . 1 1 91 91 CYS H H 91 9.689 9.689 8.501 1.188 19562 8154 1 16 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.360 0.071 19562 8155 1 16 . 1 1 92 92 ALA CA C 92 54.710 54.710 53.903 0.807 19562 8156 1 16 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.477 -0.613 19562 8157 1 16 . 1 1 93 93 ARG N N 93 117.248 117.248 118.383 -1.135 19562 8158 1 16 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.284 0.728 19562 8159 1 16 . 1 1 93 93 ARG CA C 93 53.957 53.957 52.817 1.140 19562 8160 1 16 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.729 3.074 19562 8161 1 16 . 1 1 93 93 ARG H H 93 7.964 7.964 7.427 0.537 19562 8162 1 16 . 1 1 94 94 ALA N N 94 122.369 122.369 124.459 -2.090 19562 8163 1 16 . 1 1 94 94 ALA HA H 94 3.523 3.523 4.008 -0.485 19562 8164 1 16 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.520 -0.548 19562 8165 1 16 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.827 -0.731 19562 8166 1 16 . 1 1 94 94 ALA H H 94 7.310 7.310 8.325 -1.015 19562 8167 1 16 . 1 1 95 95 GLU N N 95 116.205 116.205 117.947 -1.742 19562 8168 1 16 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.816 -0.336 19562 8169 1 16 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.146 -0.450 19562 8170 1 16 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.824 1.237 19562 8171 1 16 . 1 1 95 95 GLU H H 95 8.376 8.376 8.604 -0.228 19562 8172 1 16 . 1 1 96 96 GLU N N 96 119.188 119.188 120.385 -1.197 19562 8173 1 16 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.050 -0.083 19562 8174 1 16 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.106 0.794 19562 8175 1 16 . 1 1 96 96 GLU CB C 96 30.030 30.030 28.978 1.052 19562 8176 1 16 . 1 1 96 96 GLU H H 96 7.418 7.418 7.855 -0.437 19562 8177 1 16 . 1 1 97 97 LEU N N 97 123.654 123.654 120.749 2.905 19562 8178 1 16 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.161 -1.147 19562 8179 1 16 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.452 0.267 19562 8180 1 16 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.885 -0.872 19562 8181 1 16 . 1 1 97 97 LEU H H 97 7.847 7.847 8.581 -0.734 19562 8182 1 16 . 1 1 98 98 PHE N N 98 118.746 118.746 119.450 -0.704 19562 8183 1 16 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.354 -0.561 19562 8184 1 16 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.503 0.193 19562 8185 1 16 . 1 1 98 98 PHE H H 98 8.076 8.076 9.126 -1.050 19562 8186 1 16 . 1 1 99 99 ASN N N 99 117.017 117.017 117.530 -0.513 19562 8187 1 16 . 1 1 99 99 ASN HA H 99 4.220 4.220 3.852 0.368 19562 8188 1 16 . 1 1 99 99 ASN CA C 99 55.466 55.466 56.513 -1.047 19562 8189 1 16 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.382 -1.101 19562 8190 1 16 . 1 1 99 99 ASN H H 99 8.622 8.622 8.053 0.569 19562 8191 1 16 . 1 1 100 100 MET N N 100 121.914 121.914 120.319 1.595 19562 8192 1 16 . 1 1 100 100 MET HA H 100 4.061 4.061 4.290 -0.229 19562 8193 1 16 . 1 1 100 100 MET CA C 100 58.699 58.699 58.936 -0.237 19562 8194 1 16 . 1 1 100 100 MET CB C 100 32.048 32.048 32.665 -0.617 19562 8195 1 16 . 1 1 100 100 MET H H 100 8.316 8.316 8.606 -0.290 19562 8196 1 16 . 1 1 101 101 LEU N N 101 121.094 121.094 120.128 0.966 19562 8197 1 16 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.072 -0.492 19562 8198 1 16 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.135 -0.709 19562 8199 1 16 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.434 -0.334 19562 8200 1 16 . 1 1 101 101 LEU H H 101 8.047 8.047 8.659 -0.612 19562 8201 1 16 . 1 1 102 102 GLN N N 102 116.417 116.417 117.021 -0.604 19562 8202 1 16 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.095 -0.181 19562 8203 1 16 . 1 1 102 102 GLN CA C 102 58.446 58.446 59.021 -0.575 19562 8204 1 16 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.317 0.370 19562 8205 1 16 . 1 1 102 102 GLN H H 102 8.195 8.195 8.476 -0.281 19562 8206 1 16 . 1 1 103 103 GLU N N 103 119.096 119.096 120.946 -1.850 19562 8207 1 16 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.051 -0.143 19562 8208 1 16 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.931 -0.014 19562 8209 1 16 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.384 -0.323 19562 8210 1 16 . 1 1 103 103 GLU H H 103 7.635 7.635 8.392 -0.757 19562 8211 1 16 . 1 1 104 104 ILE N N 104 120.803 120.803 121.591 -0.788 19562 8212 1 16 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.592 0.009 19562 8213 1 16 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.155 -1.445 19562 8214 1 16 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.822 0.228 19562 8215 1 16 . 1 1 104 104 ILE H H 104 7.965 7.965 8.720 -0.755 19562 8216 1 16 . 1 1 105 105 MET N N 105 117.016 117.016 118.877 -1.861 19562 8217 1 16 . 1 1 105 105 MET HA H 105 4.020 4.020 4.108 -0.088 19562 8218 1 16 . 1 1 105 105 MET CA C 105 57.384 57.384 59.671 -2.287 19562 8219 1 16 . 1 1 105 105 MET H H 105 8.145 8.145 8.642 -0.497 19562 8220 1 16 . 1 1 106 106 GLN N N 106 116.150 116.150 116.999 -0.849 19562 8221 1 16 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.112 0.091 19562 8222 1 16 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.414 -1.773 19562 8223 1 16 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.568 -0.455 19562 8224 1 16 . 1 1 106 106 GLN H H 106 7.930 7.930 7.935 -0.005 19562 8225 1 16 . 1 1 107 107 ASN N N 107 117.360 117.360 115.885 1.475 19562 8226 1 16 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.653 0.067 19562 8227 1 16 . 1 1 107 107 ASN CA C 107 53.497 53.497 55.013 -1.516 19562 8228 1 16 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.382 -0.823 19562 8229 1 16 . 1 1 107 107 ASN H H 107 7.872 7.872 8.489 -0.617 19562 8230 1 16 . 1 1 108 108 ASN N N 108 118.611 118.611 116.759 1.852 19562 8231 1 16 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.742 0.018 19562 8232 1 16 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.868 -2.168 19562 8233 1 16 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.932 -1.414 19562 8234 1 16 . 1 1 108 108 ASN H H 108 8.144 8.144 8.381 -0.237 19562 8235 1 16 . 1 1 109 109 SER N N 109 115.704 115.704 113.140 2.564 19562 8236 1 16 . 1 1 109 109 SER HA H 109 4.519 4.519 4.248 0.271 19562 8237 1 16 . 1 1 109 109 SER CA C 109 57.700 57.700 60.299 -2.599 19562 8238 1 16 . 1 1 109 109 SER CB C 109 63.150 63.150 62.952 0.198 19562 8239 1 16 . 1 1 109 109 SER H H 109 8.215 8.215 7.748 0.467 19562 8240 1 16 . 1 1 110 110 ILE N N 110 121.954 121.954 118.408 3.546 19562 8241 1 16 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.809 0.403 19562 8242 1 16 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.086 -1.200 19562 8243 1 16 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.800 1.435 19562 8244 1 16 . 1 1 110 110 ILE H H 110 8.061 8.061 8.013 0.048 19562 8245 1 16 . 1 1 111 111 ASN N N 111 122.386 122.386 123.325 -0.939 19562 8246 1 16 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.000 -0.218 19562 8247 1 16 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.401 0.333 19562 8248 1 16 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.461 -1.661 19562 8249 1 16 . 1 1 111 111 ASN H H 111 8.376 8.376 8.327 0.049 19562 8250 1 16 . 1 1 112 112 VAL N N 112 120.830 120.830 122.957 -2.127 19562 8251 1 16 . 1 1 112 112 VAL HA H 112 4.185 4.185 3.968 0.217 19562 8252 1 16 . 1 1 112 112 VAL CA C 112 61.660 61.660 63.865 -2.205 19562 8253 1 16 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.195 0.135 19562 8254 1 16 . 1 1 112 112 VAL H H 112 8.067 8.067 8.567 -0.500 19562 8255 1 16 . 1 1 113 113 VAL N N 113 124.249 124.249 116.134 8.115 19562 8256 1 16 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.025 0.090 19562 8257 1 16 . 1 1 113 113 VAL CA C 113 61.450 61.450 62.260 -0.809 19562 8258 1 16 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.545 -1.200 19562 8259 1 16 . 1 1 113 113 VAL H H 113 8.167 8.167 7.563 0.604 19562 8260 1 16 . 1 1 114 114 GLU N N 114 125.288 125.288 121.547 3.741 19562 8261 1 16 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.152 0.157 19562 8262 1 16 . 1 1 114 114 GLU CA C 114 55.690 55.690 56.957 -1.267 19562 8263 1 16 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.366 0.684 19562 8264 1 16 . 1 1 114 114 GLU H H 114 8.405 8.405 8.268 0.137 19562 8265 1 16 . 1 1 115 115 GLU N N 115 123.990 123.990 121.921 2.069 19562 8266 1 16 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.568 -0.005 19562 8267 1 16 . 1 1 115 115 GLU CA C 115 53.725 53.725 53.967 -0.242 19562 8268 1 16 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.219 -0.784 19562 8269 1 16 . 1 1 115 115 GLU H H 115 8.392 8.392 8.255 0.137 19562 8270 1 16 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.313 0.117 19562 8271 1 16 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.762 -0.092 19562 8272 1 16 . 1 1 116 116 PRO CB C 116 31.655 31.655 31.452 0.203 19562 8273 1 16 . 1 1 117 117 VAL N N 117 121.339 121.339 120.970 0.369 19562 8274 1 16 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.697 0.379 19562 8275 1 16 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.448 -0.458 19562 8276 1 16 . 1 1 117 117 VAL CB C 117 31.820 31.820 30.953 0.867 19562 8277 1 16 . 1 1 117 117 VAL H H 117 8.266 8.266 8.025 0.241 19562 8278 1 16 . 1 1 118 118 VAL N N 118 124.762 124.762 125.557 -0.795 19562 8279 1 16 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.811 0.305 19562 8280 1 16 . 1 1 118 118 VAL H H 118 8.202 8.202 8.092 0.110 19562 8281 1 16 . 1 1 119 119 GLU N N 119 125.304 125.304 126.203 -0.899 19562 8282 1 16 . 1 1 119 119 GLU H H 119 8.479 8.479 8.661 -0.182 19562 8283 1 16 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.179 0.216 19562 8284 1 16 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.221 -0.871 19562 8285 1 16 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.514 1.051 19562 8286 1 16 . 1 1 121 121 ASN N N 121 120.465 120.465 124.640 -4.175 19562 8287 1 16 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.650 0.104 19562 8288 1 16 . 1 1 121 121 ASN H H 121 8.536 8.536 8.655 -0.119 19562 8289 1 17 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.922 -0.303 19562 8290 1 17 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.284 0.864 19562 8291 1 17 . 1 1 9 9 HIS CB C 9 29.609 29.609 29.922 -0.313 19562 8292 1 17 . 1 1 10 10 MET N N 10 120.964 120.964 120.637 0.327 19562 8293 1 17 . 1 1 10 10 MET HA H 10 4.395 4.395 4.413 -0.018 19562 8294 1 17 . 1 1 10 10 MET CA C 10 55.153 55.153 56.732 -1.579 19562 8295 1 17 . 1 1 10 10 MET CB C 10 32.293 32.293 33.337 -1.044 19562 8296 1 17 . 1 1 10 10 MET H H 10 8.274 8.274 8.093 0.181 19562 8297 1 17 . 1 1 11 11 ASP N N 11 120.989 120.989 114.512 6.477 19562 8298 1 17 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.632 0.114 19562 8299 1 17 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.610 -0.410 19562 8300 1 17 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.116 0.084 19562 8301 1 17 . 1 1 11 11 ASP H H 11 8.281 8.281 8.297 -0.016 19562 8302 1 17 . 1 1 12 12 THR N N 12 113.244 113.244 113.121 0.123 19562 8303 1 17 . 1 1 12 12 THR HA H 12 4.312 4.312 4.234 0.078 19562 8304 1 17 . 1 1 12 12 THR CA C 12 61.218 61.218 61.826 -0.608 19562 8305 1 17 . 1 1 12 12 THR CB C 12 69.316 69.316 67.071 2.245 19562 8306 1 17 . 1 1 12 12 THR H H 12 7.979 7.979 7.895 0.084 19562 8307 1 17 . 1 1 13 13 VAL N N 13 123.579 123.579 123.155 0.424 19562 8308 1 17 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.088 0.316 19562 8309 1 17 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.650 -1.416 19562 8310 1 17 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.947 -0.648 19562 8311 1 17 . 1 1 13 13 VAL H H 13 8.021 8.021 7.722 0.299 19562 8312 1 17 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.285 0.142 19562 8313 1 17 . 1 1 14 14 PRO CA C 14 62.900 62.900 65.239 -2.339 19562 8314 1 17 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.310 -0.520 19562 8315 1 17 . 1 1 15 15 ASP N N 15 120.556 120.556 111.189 9.367 19562 8316 1 17 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.564 -0.112 19562 8317 1 17 . 1 1 15 15 ASP CA C 15 54.421 54.421 53.915 0.506 19562 8318 1 17 . 1 1 15 15 ASP CB C 15 40.558 40.558 42.009 -1.451 19562 8319 1 17 . 1 1 15 15 ASP H H 15 8.471 8.471 8.737 -0.266 19562 8320 1 17 . 1 1 16 16 ASN N N 16 116.991 116.991 116.709 0.282 19562 8321 1 17 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.539 0.065 19562 8322 1 17 . 1 1 16 16 ASN CA C 16 52.282 52.282 53.440 -1.158 19562 8323 1 17 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.303 -1.572 19562 8324 1 17 . 1 1 16 16 ASN H H 16 8.111 8.111 7.750 0.361 19562 8325 1 17 . 1 1 17 17 HIS N N 17 119.335 119.335 119.030 0.305 19562 8326 1 17 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.159 0.253 19562 8327 1 17 . 1 1 17 17 HIS CA C 17 56.436 56.436 59.131 -2.695 19562 8328 1 17 . 1 1 17 17 HIS CB C 17 30.009 30.009 28.128 1.881 19562 8329 1 17 . 1 1 17 17 HIS H H 17 8.014 8.014 8.241 -0.227 19562 8330 1 17 . 1 1 18 18 ARG N N 18 122.269 122.269 122.153 0.116 19562 8331 1 17 . 1 1 18 18 ARG HA H 18 3.983 3.983 4.305 -0.322 19562 8332 1 17 . 1 1 18 18 ARG CA C 18 57.419 57.419 57.038 0.381 19562 8333 1 17 . 1 1 18 18 ARG CB C 18 29.781 29.781 31.662 -1.881 19562 8334 1 17 . 1 1 18 18 ARG H H 18 8.209 8.209 8.331 -0.122 19562 8335 1 17 . 1 1 19 19 ASN N N 19 114.495 114.495 115.532 -1.037 19562 8336 1 17 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.281 0.434 19562 8337 1 17 . 1 1 19 19 ASN CA C 19 52.723 52.723 53.309 -0.585 19562 8338 1 17 . 1 1 19 19 ASN CB C 19 38.034 38.034 39.155 -1.121 19562 8339 1 17 . 1 1 19 19 ASN H H 19 8.565 8.565 8.026 0.539 19562 8340 1 17 . 1 1 20 20 LYS N N 20 117.932 117.932 122.197 -4.265 19562 8341 1 17 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.236 1.021 19562 8342 1 17 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.355 -0.619 19562 8343 1 17 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.614 3.401 19562 8344 1 17 . 1 1 20 20 LYS H H 20 7.040 7.040 7.157 -0.117 19562 8345 1 17 . 1 1 21 21 PHE N N 21 120.620 120.620 127.875 -7.255 19562 8346 1 17 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.603 -0.094 19562 8347 1 17 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.491 1.430 19562 8348 1 17 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.498 0.700 19562 8349 1 17 . 1 1 21 21 PHE H H 21 9.389 9.389 8.248 1.141 19562 8350 1 17 . 1 1 22 22 LYS N N 22 125.637 125.637 127.447 -1.810 19562 8351 1 17 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.498 0.239 19562 8352 1 17 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.972 1.000 19562 8353 1 17 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.177 0.129 19562 8354 1 17 . 1 1 22 22 LYS H H 22 9.258 9.258 8.936 0.322 19562 8355 1 17 . 1 1 23 23 VAL N N 23 118.282 118.282 119.140 -0.858 19562 8356 1 17 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.443 1.184 19562 8357 1 17 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.215 -0.830 19562 8358 1 17 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.046 2.470 19562 8359 1 17 . 1 1 23 23 VAL H H 23 8.672 8.672 8.208 0.464 19562 8360 1 17 . 1 1 24 24 ILE N N 24 120.397 120.397 118.841 1.556 19562 8361 1 17 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.537 0.276 19562 8362 1 17 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.844 0.317 19562 8363 1 17 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.536 1.532 19562 8364 1 17 . 1 1 24 24 ILE H H 24 8.824 8.824 8.264 0.560 19562 8365 1 17 . 1 1 25 25 ASN N N 25 127.655 127.655 127.036 0.619 19562 8366 1 17 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.808 -0.307 19562 8367 1 17 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.713 0.488 19562 8368 1 17 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.874 0.646 19562 8369 1 17 . 1 1 25 25 ASN H H 25 9.232 9.232 8.504 0.728 19562 8370 1 17 . 1 1 26 26 VAL N N 26 116.322 116.322 117.562 -1.240 19562 8371 1 17 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.284 0.258 19562 8372 1 17 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.563 -1.791 19562 8373 1 17 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.657 0.613 19562 8374 1 17 . 1 1 26 26 VAL H H 26 7.680 7.680 7.457 0.223 19562 8375 1 17 . 1 1 27 27 ASP N N 27 117.000 117.000 125.966 -8.966 19562 8376 1 17 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.895 -0.802 19562 8377 1 17 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.542 -2.580 19562 8378 1 17 . 1 1 27 27 ASP H H 27 7.500 7.500 8.084 -0.584 19562 8379 1 17 . 1 1 28 28 ASP N N 28 112.540 112.540 124.367 -11.827 19562 8380 1 17 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.336 -0.165 19562 8381 1 17 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.102 0.196 19562 8382 1 17 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.796 -0.712 19562 8383 1 17 . 1 1 28 28 ASP H H 28 7.922 7.922 8.991 -1.069 19562 8384 1 17 . 1 1 29 29 ASP N N 29 115.319 115.319 116.769 -1.450 19562 8385 1 17 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.693 0.052 19562 8386 1 17 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.837 -0.386 19562 8387 1 17 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.694 0.310 19562 8388 1 17 . 1 1 29 29 ASP H H 29 7.809 7.809 8.025 -0.216 19562 8389 1 17 . 1 1 30 30 GLY N N 30 108.887 108.887 108.403 0.484 19562 8390 1 17 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.285 -0.796 19562 8391 1 17 . 1 1 30 30 GLY H H 30 8.196 8.196 8.259 -0.063 19562 8392 1 17 . 1 1 31 31 ASN N N 31 119.906 119.906 118.369 1.537 19562 8393 1 17 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.721 -0.238 19562 8394 1 17 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.118 1.083 19562 8395 1 17 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.507 -1.896 19562 8396 1 17 . 1 1 31 31 ASN H H 31 8.643 8.643 8.025 0.618 19562 8397 1 17 . 1 1 32 32 GLU N N 32 119.114 119.114 125.672 -6.558 19562 8398 1 17 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.186 -0.287 19562 8399 1 17 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.526 -0.065 19562 8400 1 17 . 1 1 32 32 GLU H H 32 8.525 8.525 8.971 -0.446 19562 8401 1 17 . 1 1 33 33 LEU N N 33 126.117 126.117 123.121 2.996 19562 8402 1 17 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.432 0.177 19562 8403 1 17 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.021 -1.096 19562 8404 1 17 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.459 -0.703 19562 8405 1 17 . 1 1 33 33 LEU H H 33 8.817 8.817 8.559 0.258 19562 8406 1 17 . 1 1 34 34 GLY N N 34 108.970 108.970 105.324 3.646 19562 8407 1 17 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.417 0.572 19562 8408 1 17 . 1 1 34 34 GLY H H 34 8.228 8.228 7.846 0.382 19562 8409 1 17 . 1 1 35 35 SER N N 35 118.388 118.388 117.581 0.807 19562 8410 1 17 . 1 1 35 35 SER HA H 35 5.465 5.465 4.502 0.963 19562 8411 1 17 . 1 1 35 35 SER CA C 35 57.205 57.205 58.370 -1.165 19562 8412 1 17 . 1 1 35 35 SER CB C 35 65.393 65.393 63.678 1.715 19562 8413 1 17 . 1 1 35 35 SER H H 35 8.776 8.776 8.251 0.525 19562 8414 1 17 . 1 1 36 36 GLY N N 36 109.081 109.081 109.889 -0.808 19562 8415 1 17 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.528 1.957 19562 8416 1 17 . 1 1 36 36 GLY H H 36 9.013 9.013 7.556 1.457 19562 8417 1 17 . 1 1 37 37 ILE N N 37 121.560 121.560 119.064 2.496 19562 8418 1 17 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.782 0.322 19562 8419 1 17 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.291 -1.169 19562 8420 1 17 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.709 -1.244 19562 8421 1 17 . 1 1 37 37 ILE H H 37 8.779 8.779 8.625 0.154 19562 8422 1 17 . 1 1 38 38 MET N N 38 128.553 128.553 123.171 5.382 19562 8423 1 17 . 1 1 38 38 MET HA H 38 5.735 5.735 4.837 0.898 19562 8424 1 17 . 1 1 38 38 MET CA C 38 53.008 53.008 53.550 -0.542 19562 8425 1 17 . 1 1 38 38 MET CB C 38 36.446 36.446 34.127 2.319 19562 8426 1 17 . 1 1 38 38 MET H H 38 9.827 9.827 9.435 0.392 19562 8427 1 17 . 1 1 39 39 GLU N N 39 129.378 129.378 128.175 1.203 19562 8428 1 17 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.592 0.908 19562 8429 1 17 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.490 -2.035 19562 8430 1 17 . 1 1 39 39 GLU CB C 39 34.536 34.536 30.125 4.411 19562 8431 1 17 . 1 1 39 39 GLU H H 39 10.160 10.160 9.240 0.920 19562 8432 1 17 . 1 1 40 40 LEU N N 40 127.174 127.174 130.343 -3.169 19562 8433 1 17 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.444 0.634 19562 8434 1 17 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.827 -0.387 19562 8435 1 17 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.497 0.516 19562 8436 1 17 . 1 1 40 40 LEU H H 40 8.334 8.334 8.502 -0.168 19562 8437 1 17 . 1 1 41 41 THR N N 41 115.971 115.971 116.947 -0.976 19562 8438 1 17 . 1 1 41 41 THR HA H 41 5.012 5.012 4.589 0.423 19562 8439 1 17 . 1 1 41 41 THR CA C 41 59.113 59.113 59.448 -0.335 19562 8440 1 17 . 1 1 41 41 THR CB C 41 69.295 69.295 70.938 -1.643 19562 8441 1 17 . 1 1 41 41 THR H H 41 8.682 8.682 7.794 0.888 19562 8442 1 17 . 1 1 42 42 ASP N N 42 117.467 117.467 117.770 -0.303 19562 8443 1 17 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.194 0.421 19562 8444 1 17 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.078 -0.386 19562 8445 1 17 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.617 -0.826 19562 8446 1 17 . 1 1 42 42 ASP H H 42 8.794 8.794 8.466 0.328 19562 8447 1 17 . 1 1 43 43 THR N N 43 104.010 104.010 106.233 -2.223 19562 8448 1 17 . 1 1 43 43 THR HA H 43 4.412 4.412 3.508 0.904 19562 8449 1 17 . 1 1 43 43 THR CA C 43 61.601 61.601 61.534 0.067 19562 8450 1 17 . 1 1 43 43 THR CB C 43 71.362 71.362 70.689 0.673 19562 8451 1 17 . 1 1 43 43 THR H H 43 7.763 7.763 7.307 0.456 19562 8452 1 17 . 1 1 44 44 GLU N N 44 118.980 118.980 121.874 -2.894 19562 8453 1 17 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.081 -0.911 19562 8454 1 17 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.692 -0.752 19562 8455 1 17 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.178 0.309 19562 8456 1 17 . 1 1 44 44 GLU H H 44 7.263 7.263 7.587 -0.324 19562 8457 1 17 . 1 1 45 45 LEU N N 45 122.138 122.138 127.968 -5.830 19562 8458 1 17 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.673 0.299 19562 8459 1 17 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.856 -1.135 19562 8460 1 17 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.497 1.741 19562 8461 1 17 . 1 1 45 45 LEU H H 45 8.314 8.314 9.314 -1.000 19562 8462 1 17 . 1 1 46 46 ILE N N 46 124.244 124.244 126.772 -2.528 19562 8463 1 17 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.472 0.252 19562 8464 1 17 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.688 1.622 19562 8465 1 17 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.243 4.247 19562 8466 1 17 . 1 1 46 46 ILE H H 46 9.154 9.154 9.292 -0.138 19562 8467 1 17 . 1 1 47 47 LEU N N 47 127.510 127.510 131.186 -3.676 19562 8468 1 17 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.981 0.285 19562 8469 1 17 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.093 -1.387 19562 8470 1 17 . 1 1 47 47 LEU CB C 47 45.736 45.736 42.852 2.885 19562 8471 1 17 . 1 1 47 47 LEU H H 47 9.378 9.378 8.479 0.899 19562 8472 1 17 . 1 1 48 48 TYR N N 48 128.014 128.014 127.573 0.441 19562 8473 1 17 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.710 0.324 19562 8474 1 17 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.846 -0.409 19562 8475 1 17 . 1 1 48 48 TYR CB C 48 38.791 38.791 37.066 1.725 19562 8476 1 17 . 1 1 48 48 TYR H H 48 9.724 9.724 8.860 0.864 19562 8477 1 17 . 1 1 49 49 THR N N 49 115.097 115.097 117.225 -2.128 19562 8478 1 17 . 1 1 49 49 THR HA H 49 4.813 4.813 4.477 0.336 19562 8479 1 17 . 1 1 49 49 THR CA C 49 60.349 60.349 61.126 -0.777 19562 8480 1 17 . 1 1 49 49 THR CB C 49 70.967 70.967 70.280 0.687 19562 8481 1 17 . 1 1 49 49 THR H H 49 8.659 8.659 7.819 0.840 19562 8482 1 17 . 1 1 50 50 ARG N N 50 120.411 120.411 121.637 -1.226 19562 8483 1 17 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.216 -0.017 19562 8484 1 17 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.644 -1.197 19562 8485 1 17 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.160 -0.386 19562 8486 1 17 . 1 1 50 50 ARG H H 50 8.649 8.649 8.896 -0.247 19562 8487 1 17 . 1 1 51 51 LYS N N 51 117.579 117.579 116.206 1.373 19562 8488 1 17 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.508 -0.345 19562 8489 1 17 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.502 0.176 19562 8490 1 17 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.324 -0.967 19562 8491 1 17 . 1 1 51 51 LYS H H 51 8.406 8.406 8.271 0.135 19562 8492 1 17 . 1 1 52 52 ARG N N 52 116.662 116.662 121.527 -4.865 19562 8493 1 17 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.266 0.176 19562 8494 1 17 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.757 -1.452 19562 8495 1 17 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.862 0.888 19562 8496 1 17 . 1 1 52 52 ARG H H 52 7.973 7.973 7.994 -0.021 19562 8497 1 17 . 1 1 53 53 ASP N N 53 119.760 119.760 115.899 3.861 19562 8498 1 17 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.379 0.381 19562 8499 1 17 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.938 -1.047 19562 8500 1 17 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.127 -0.120 19562 8501 1 17 . 1 1 53 53 ASP H H 53 8.066 8.066 7.861 0.205 19562 8502 1 17 . 1 1 54 54 SER N N 54 116.756 116.756 116.924 -0.168 19562 8503 1 17 . 1 1 54 54 SER HA H 54 4.891 4.891 4.118 0.773 19562 8504 1 17 . 1 1 54 54 SER CA C 54 57.072 57.072 59.240 -2.168 19562 8505 1 17 . 1 1 54 54 SER CB C 54 64.473 64.473 61.607 2.866 19562 8506 1 17 . 1 1 54 54 SER H H 54 8.477 8.477 8.290 0.187 19562 8507 1 17 . 1 1 55 55 VAL N N 55 122.716 122.716 124.856 -2.140 19562 8508 1 17 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.905 0.043 19562 8509 1 17 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.444 -2.988 19562 8510 1 17 . 1 1 55 55 VAL CB C 55 33.538 33.538 33.004 0.534 19562 8511 1 17 . 1 1 55 55 VAL H H 55 8.334 8.334 9.133 -0.799 19562 8512 1 17 . 1 1 56 56 LYS N N 56 121.568 121.568 120.325 1.243 19562 8513 1 17 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.990 0.281 19562 8514 1 17 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.609 -0.918 19562 8515 1 17 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.278 0.525 19562 8516 1 17 . 1 1 56 56 LYS H H 56 7.501 7.501 7.863 -0.362 19562 8517 1 17 . 1 1 57 57 TRP N N 57 123.638 123.638 122.795 0.843 19562 8518 1 17 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.802 -0.137 19562 8519 1 17 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.459 1.303 19562 8520 1 17 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.139 0.411 19562 8521 1 17 . 1 1 57 57 TRP H H 57 9.453 9.453 8.569 0.884 19562 8522 1 17 . 1 1 58 58 HIS N N 58 125.312 125.312 126.284 -0.972 19562 8523 1 17 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.231 -0.692 19562 8524 1 17 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.132 0.052 19562 8525 1 17 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.442 -1.117 19562 8526 1 17 . 1 1 58 58 HIS H H 58 9.024 9.024 8.810 0.214 19562 8527 1 17 . 1 1 59 59 TYR N N 59 126.691 126.691 125.984 0.707 19562 8528 1 17 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.298 0.054 19562 8529 1 17 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.652 0.047 19562 8530 1 17 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.288 -1.760 19562 8531 1 17 . 1 1 59 59 TYR H H 59 8.079 8.079 8.753 -0.674 19562 8532 1 17 . 1 1 60 60 LEU N N 60 114.859 114.859 118.096 -3.237 19562 8533 1 17 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.410 -0.173 19562 8534 1 17 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.291 0.808 19562 8535 1 17 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.549 0.005 19562 8536 1 17 . 1 1 60 60 LEU H H 60 9.307 9.307 8.034 1.273 19562 8537 1 17 . 1 1 61 61 CYS N N 61 114.415 114.415 116.557 -2.142 19562 8538 1 17 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.597 0.649 19562 8539 1 17 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.188 -0.755 19562 8540 1 17 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.536 -2.470 19562 8541 1 17 . 1 1 61 61 CYS H H 61 8.421 8.421 7.652 0.769 19562 8542 1 17 . 1 1 62 62 LEU N N 62 122.413 122.413 123.018 -0.605 19562 8543 1 17 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.240 0.507 19562 8544 1 17 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.964 -1.526 19562 8545 1 17 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.100 0.939 19562 8546 1 17 . 1 1 62 62 LEU H H 62 7.702 7.702 7.494 0.208 19562 8547 1 17 . 1 1 63 63 ARG N N 63 122.839 122.839 122.947 -0.108 19562 8548 1 17 . 1 1 63 63 ARG H H 63 9.301 9.301 8.982 0.319 19562 8549 1 17 . 1 1 64 64 ARG N N 64 111.512 111.512 117.552 -6.040 19562 8550 1 17 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.671 0.815 19562 8551 1 17 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.244 -1.599 19562 8552 1 17 . 1 1 64 64 ARG CB C 64 35.005 35.005 31.810 3.195 19562 8553 1 17 . 1 1 64 64 ARG H H 64 7.457 7.457 7.613 -0.156 19562 8554 1 17 . 1 1 65 65 TYR N N 65 115.127 115.127 119.890 -4.763 19562 8555 1 17 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.161 0.379 19562 8556 1 17 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.298 0.891 19562 8557 1 17 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.792 -1.278 19562 8558 1 17 . 1 1 65 65 TYR H H 65 8.340 8.340 8.468 -0.128 19562 8559 1 17 . 1 1 66 66 GLY N N 66 104.938 104.938 108.866 -3.928 19562 8560 1 17 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.583 2.317 19562 8561 1 17 . 1 1 66 66 GLY H H 66 8.950 8.950 8.656 0.294 19562 8562 1 17 . 1 1 67 67 TYR N N 67 117.143 117.143 120.246 -3.103 19562 8563 1 17 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.521 0.041 19562 8564 1 17 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.001 -1.516 19562 8565 1 17 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.122 2.225 19562 8566 1 17 . 1 1 67 67 TYR H H 67 8.022 8.022 7.981 0.041 19562 8567 1 17 . 1 1 68 68 ASP N N 68 119.290 119.290 125.486 -6.196 19562 8568 1 17 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.209 -0.379 19562 8569 1 17 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.864 3.578 19562 8570 1 17 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.203 2.813 19562 8571 1 17 . 1 1 68 68 ASP H H 68 8.656 8.656 9.177 -0.521 19562 8572 1 17 . 1 1 69 69 SER N N 69 119.561 119.561 117.111 2.450 19562 8573 1 17 . 1 1 69 69 SER HA H 69 4.040 4.040 4.178 -0.138 19562 8574 1 17 . 1 1 69 69 SER CB C 69 59.170 59.170 61.641 -2.470 19562 8575 1 17 . 1 1 69 69 SER H H 69 8.957 8.957 8.534 0.423 19562 8576 1 17 . 1 1 70 70 ASN N N 70 119.438 119.438 115.539 3.899 19562 8577 1 17 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.575 0.557 19562 8578 1 17 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.320 -2.332 19562 8579 1 17 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.231 0.047 19562 8580 1 17 . 1 1 70 70 ASN H H 70 8.502 8.502 8.781 -0.279 19562 8581 1 17 . 1 1 71 71 LEU N N 71 120.481 120.481 119.065 1.416 19562 8582 1 17 . 1 1 71 71 LEU HA H 71 5.565 5.565 5.017 0.548 19562 8583 1 17 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.265 -0.814 19562 8584 1 17 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.505 1.231 19562 8585 1 17 . 1 1 71 71 LEU H H 71 8.807 8.807 8.625 0.182 19562 8586 1 17 . 1 1 72 72 PHE N N 72 120.815 120.815 126.943 -6.128 19562 8587 1 17 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.450 0.077 19562 8588 1 17 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.443 -0.259 19562 8589 1 17 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.617 1.246 19562 8590 1 17 . 1 1 72 72 PHE H H 72 9.439 9.439 9.639 -0.200 19562 8591 1 17 . 1 1 73 73 SER N N 73 120.270 120.270 118.685 1.585 19562 8592 1 17 . 1 1 73 73 SER HA H 73 5.387 5.387 4.258 1.129 19562 8593 1 17 . 1 1 73 73 SER CA C 73 54.994 54.994 55.385 -0.391 19562 8594 1 17 . 1 1 73 73 SER CB C 73 66.409 66.409 65.515 0.894 19562 8595 1 17 . 1 1 73 73 SER H H 73 8.597 8.597 8.103 0.494 19562 8596 1 17 . 1 1 74 74 PHE N N 74 117.157 117.157 115.733 1.424 19562 8597 1 17 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.288 -0.027 19562 8598 1 17 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.147 -0.448 19562 8599 1 17 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.382 0.521 19562 8600 1 17 . 1 1 74 74 PHE H H 74 8.050 8.050 7.661 0.389 19562 8601 1 17 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.940 0.796 19562 8602 1 17 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.451 -2.742 19562 8603 1 17 . 1 1 75 75 GLU CB C 75 31.820 31.820 30.564 1.256 19562 8604 1 17 . 1 1 76 76 SER N N 76 123.656 123.656 122.511 1.145 19562 8605 1 17 . 1 1 76 76 SER HA H 76 5.243 5.243 5.163 0.080 19562 8606 1 17 . 1 1 76 76 SER CA C 76 56.906 56.906 57.402 -0.496 19562 8607 1 17 . 1 1 76 76 SER CB C 76 67.886 67.886 64.273 3.612 19562 8608 1 17 . 1 1 76 76 SER H H 76 9.930 9.930 8.986 0.944 19562 8609 1 17 . 1 1 77 77 GLY N N 77 105.906 105.906 110.690 -4.784 19562 8610 1 17 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.099 -0.099 19562 8611 1 17 . 1 1 77 77 GLY H H 77 8.939 8.939 9.047 -0.108 19562 8612 1 17 . 1 1 78 78 ARG N N 78 114.676 114.676 116.990 -2.314 19562 8613 1 17 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.711 -0.694 19562 8614 1 17 . 1 1 78 78 ARG H H 78 9.680 9.680 7.437 2.243 19562 8615 1 17 . 1 1 79 79 ARG N N 79 121.801 121.801 121.045 0.756 19562 8616 1 17 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.319 0.254 19562 8617 1 17 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.296 -2.368 19562 8618 1 17 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.536 -3.466 19562 8619 1 17 . 1 1 79 79 ARG H H 79 9.389 9.389 8.688 0.701 19562 8620 1 17 . 1 1 80 80 CYS N N 80 113.901 113.901 118.758 -4.857 19562 8621 1 17 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.604 0.284 19562 8622 1 17 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.050 -1.085 19562 8623 1 17 . 1 1 80 80 CYS CB C 80 29.598 29.598 31.261 -1.663 19562 8624 1 17 . 1 1 80 80 CYS H H 80 7.994 7.994 7.764 0.230 19562 8625 1 17 . 1 1 81 81 GLN N N 81 122.839 122.839 120.932 1.907 19562 8626 1 17 . 1 1 81 81 GLN HA H 81 4.096 4.096 3.994 0.102 19562 8627 1 17 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.649 0.290 19562 8628 1 17 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.048 -0.708 19562 8629 1 17 . 1 1 81 81 GLN H H 81 8.950 8.950 8.733 0.217 19562 8630 1 17 . 1 1 82 82 THR N N 82 107.297 107.297 109.883 -2.586 19562 8631 1 17 . 1 1 82 82 THR HA H 82 4.207 4.207 4.339 -0.132 19562 8632 1 17 . 1 1 82 82 THR CA C 82 63.147 63.147 61.955 1.192 19562 8633 1 17 . 1 1 82 82 THR CB C 82 70.591 70.591 69.022 1.569 19562 8634 1 17 . 1 1 82 82 THR H H 82 8.345 8.345 8.049 0.296 19562 8635 1 17 . 1 1 83 83 GLY N N 83 112.681 112.681 110.554 2.127 19562 8636 1 17 . 1 1 83 83 GLY CA C 83 43.994 43.994 44.694 -0.700 19562 8637 1 17 . 1 1 83 83 GLY H H 83 7.820 7.820 8.010 -0.190 19562 8638 1 17 . 1 1 84 84 GLN N N 84 119.972 119.972 124.544 -4.572 19562 8639 1 17 . 1 1 84 84 GLN H H 84 8.622 8.622 8.679 -0.057 19562 8640 1 17 . 1 1 85 85 GLY N N 85 111.040 111.040 107.768 3.272 19562 8641 1 17 . 1 1 85 85 GLY H H 85 8.056 8.056 7.843 0.213 19562 8642 1 17 . 1 1 86 86 ILE N N 86 121.645 121.645 124.050 -2.405 19562 8643 1 17 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.268 0.018 19562 8644 1 17 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.282 -2.120 19562 8645 1 17 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.513 2.029 19562 8646 1 17 . 1 1 86 86 ILE H H 86 8.021 8.021 8.411 -0.390 19562 8647 1 17 . 1 1 87 87 PHE N N 87 123.890 123.890 129.549 -5.659 19562 8648 1 17 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.582 0.044 19562 8649 1 17 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.950 -0.007 19562 8650 1 17 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.510 0.493 19562 8651 1 17 . 1 1 87 87 PHE H H 87 8.476 8.476 8.875 -0.399 19562 8652 1 17 . 1 1 88 88 ALA N N 88 124.824 124.824 128.878 -4.054 19562 8653 1 17 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.009 1.272 19562 8654 1 17 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.536 0.668 19562 8655 1 17 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.151 1.184 19562 8656 1 17 . 1 1 88 88 ALA H H 88 9.149 9.149 7.962 1.187 19562 8657 1 17 . 1 1 89 89 PHE N N 89 118.047 118.047 117.811 0.236 19562 8658 1 17 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.847 0.598 19562 8659 1 17 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.652 0.053 19562 8660 1 17 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.728 0.768 19562 8661 1 17 . 1 1 89 89 PHE H H 89 9.423 9.423 8.886 0.537 19562 8662 1 17 . 1 1 90 90 LYS N N 90 122.937 122.937 125.439 -2.502 19562 8663 1 17 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.682 0.823 19562 8664 1 17 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.289 -1.461 19562 8665 1 17 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.607 2.406 19562 8666 1 17 . 1 1 90 90 LYS H H 90 9.943 9.943 9.158 0.785 19562 8667 1 17 . 1 1 91 91 CYS N N 91 126.115 126.115 122.701 3.414 19562 8668 1 17 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.677 0.076 19562 8669 1 17 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.071 1.104 19562 8670 1 17 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.175 -0.366 19562 8671 1 17 . 1 1 91 91 CYS H H 91 9.689 9.689 8.118 1.571 19562 8672 1 17 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.322 0.109 19562 8673 1 17 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.161 0.549 19562 8674 1 17 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.674 -0.811 19562 8675 1 17 . 1 1 93 93 ARG N N 93 117.248 117.248 117.738 -0.490 19562 8676 1 17 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.199 0.813 19562 8677 1 17 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.922 0.035 19562 8678 1 17 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.610 3.193 19562 8679 1 17 . 1 1 93 93 ARG H H 93 7.964 7.964 8.142 -0.178 19562 8680 1 17 . 1 1 94 94 ALA N N 94 122.369 122.369 124.339 -1.970 19562 8681 1 17 . 1 1 94 94 ALA HA H 94 3.523 3.523 4.029 -0.506 19562 8682 1 17 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.403 -0.432 19562 8683 1 17 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.832 -0.736 19562 8684 1 17 . 1 1 94 94 ALA H H 94 7.310 7.310 8.206 -0.896 19562 8685 1 17 . 1 1 95 95 GLU N N 95 116.205 116.205 118.224 -2.019 19562 8686 1 17 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.956 -0.476 19562 8687 1 17 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.138 -0.442 19562 8688 1 17 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.717 1.344 19562 8689 1 17 . 1 1 95 95 GLU H H 95 8.376 8.376 8.641 -0.265 19562 8690 1 17 . 1 1 96 96 GLU N N 96 119.188 119.188 120.407 -1.219 19562 8691 1 17 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.039 -0.072 19562 8692 1 17 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.468 0.432 19562 8693 1 17 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.120 0.910 19562 8694 1 17 . 1 1 96 96 GLU H H 96 7.418 7.418 7.879 -0.461 19562 8695 1 17 . 1 1 97 97 LEU N N 97 123.654 123.654 120.591 3.063 19562 8696 1 17 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.139 -1.125 19562 8697 1 17 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.453 0.266 19562 8698 1 17 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.882 -0.869 19562 8699 1 17 . 1 1 97 97 LEU H H 97 7.847 7.847 8.540 -0.693 19562 8700 1 17 . 1 1 98 98 PHE N N 98 118.746 118.746 119.450 -0.704 19562 8701 1 17 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.309 -0.516 19562 8702 1 17 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.498 0.198 19562 8703 1 17 . 1 1 98 98 PHE H H 98 8.076 8.076 9.121 -1.045 19562 8704 1 17 . 1 1 99 99 ASN N N 99 117.017 117.017 118.897 -1.880 19562 8705 1 17 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.218 0.002 19562 8706 1 17 . 1 1 99 99 ASN CA C 99 55.466 55.466 56.218 -0.752 19562 8707 1 17 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.451 -1.170 19562 8708 1 17 . 1 1 99 99 ASN H H 99 8.622 8.622 8.238 0.384 19562 8709 1 17 . 1 1 100 100 MET N N 100 121.914 121.914 120.664 1.250 19562 8710 1 17 . 1 1 100 100 MET HA H 100 4.061 4.061 4.219 -0.158 19562 8711 1 17 . 1 1 100 100 MET CA C 100 58.699 58.699 59.320 -0.621 19562 8712 1 17 . 1 1 100 100 MET CB C 100 32.048 32.048 32.689 -0.641 19562 8713 1 17 . 1 1 100 100 MET H H 100 8.316 8.316 8.565 -0.249 19562 8714 1 17 . 1 1 101 101 LEU N N 101 121.094 121.094 120.620 0.474 19562 8715 1 17 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.104 -0.524 19562 8716 1 17 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.111 -0.685 19562 8717 1 17 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.469 -0.369 19562 8718 1 17 . 1 1 101 101 LEU H H 101 8.047 8.047 8.817 -0.770 19562 8719 1 17 . 1 1 102 102 GLN N N 102 116.417 116.417 117.353 -0.936 19562 8720 1 17 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.114 -0.200 19562 8721 1 17 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.807 -0.361 19562 8722 1 17 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.235 0.452 19562 8723 1 17 . 1 1 102 102 GLN H H 102 8.195 8.195 8.495 -0.300 19562 8724 1 17 . 1 1 103 103 GLU N N 103 119.096 119.096 120.234 -1.138 19562 8725 1 17 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.109 -0.201 19562 8726 1 17 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.837 0.080 19562 8727 1 17 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.478 -0.417 19562 8728 1 17 . 1 1 103 103 GLU H H 103 7.635 7.635 8.410 -0.775 19562 8729 1 17 . 1 1 104 104 ILE N N 104 120.803 120.803 121.664 -0.861 19562 8730 1 17 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.603 -0.002 19562 8731 1 17 . 1 1 104 104 ILE CA C 104 64.710 64.710 66.054 -1.344 19562 8732 1 17 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.747 0.303 19562 8733 1 17 . 1 1 104 104 ILE H H 104 7.965 7.965 8.895 -0.930 19562 8734 1 17 . 1 1 105 105 MET N N 105 117.016 117.016 118.700 -1.684 19562 8735 1 17 . 1 1 105 105 MET HA H 105 4.020 4.020 4.174 -0.154 19562 8736 1 17 . 1 1 105 105 MET CA C 105 57.384 57.384 59.677 -2.293 19562 8737 1 17 . 1 1 105 105 MET H H 105 8.145 8.145 8.566 -0.421 19562 8738 1 17 . 1 1 106 106 GLN N N 106 116.150 116.150 117.241 -1.091 19562 8739 1 17 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.093 0.110 19562 8740 1 17 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.617 -1.976 19562 8741 1 17 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.450 -0.337 19562 8742 1 17 . 1 1 106 106 GLN H H 106 7.930 7.930 8.074 -0.144 19562 8743 1 17 . 1 1 107 107 ASN N N 107 117.360 117.360 115.385 1.975 19562 8744 1 17 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.736 -0.016 19562 8745 1 17 . 1 1 107 107 ASN CA C 107 53.497 53.497 55.055 -1.558 19562 8746 1 17 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.418 -0.859 19562 8747 1 17 . 1 1 107 107 ASN H H 107 7.872 7.872 8.241 -0.369 19562 8748 1 17 . 1 1 108 108 ASN N N 108 118.611 118.611 116.672 1.939 19562 8749 1 17 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.802 -0.042 19562 8750 1 17 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.518 -1.818 19562 8751 1 17 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.694 -2.176 19562 8752 1 17 . 1 1 108 108 ASN H H 108 8.144 8.144 8.377 -0.233 19562 8753 1 17 . 1 1 109 109 SER N N 109 115.704 115.704 111.846 3.858 19562 8754 1 17 . 1 1 109 109 SER HA H 109 4.519 4.519 4.143 0.376 19562 8755 1 17 . 1 1 109 109 SER CA C 109 57.700 57.700 60.873 -3.173 19562 8756 1 17 . 1 1 109 109 SER CB C 109 63.150 63.150 62.567 0.583 19562 8757 1 17 . 1 1 109 109 SER H H 109 8.215 8.215 7.987 0.228 19562 8758 1 17 . 1 1 110 110 ILE N N 110 121.954 121.954 118.709 3.245 19562 8759 1 17 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.687 0.525 19562 8760 1 17 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.316 -1.430 19562 8761 1 17 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.182 2.053 19562 8762 1 17 . 1 1 110 110 ILE H H 110 8.061 8.061 7.801 0.260 19562 8763 1 17 . 1 1 111 111 ASN N N 111 122.386 122.386 122.901 -0.515 19562 8764 1 17 . 1 1 111 111 ASN HA H 111 4.782 4.782 5.026 -0.244 19562 8765 1 17 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.546 0.188 19562 8766 1 17 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.576 -1.776 19562 8767 1 17 . 1 1 111 111 ASN H H 111 8.376 8.376 8.566 -0.190 19562 8768 1 17 . 1 1 112 112 VAL N N 112 120.830 120.830 125.065 -4.235 19562 8769 1 17 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.065 0.120 19562 8770 1 17 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.549 -0.889 19562 8771 1 17 . 1 1 112 112 VAL CB C 112 32.330 32.330 30.516 1.814 19562 8772 1 17 . 1 1 112 112 VAL H H 112 8.067 8.067 8.545 -0.478 19562 8773 1 17 . 1 1 113 113 VAL N N 113 124.249 124.249 124.740 -0.491 19562 8774 1 17 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.649 0.466 19562 8775 1 17 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.966 -2.516 19562 8776 1 17 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.704 -0.359 19562 8777 1 17 . 1 1 113 113 VAL H H 113 8.167 8.167 7.762 0.405 19562 8778 1 17 . 1 1 114 114 GLU N N 114 125.288 125.288 116.864 8.424 19562 8779 1 17 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.049 0.260 19562 8780 1 17 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.127 -1.437 19562 8781 1 17 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.789 1.261 19562 8782 1 17 . 1 1 114 114 GLU H H 114 8.405 8.405 8.243 0.162 19562 8783 1 17 . 1 1 115 115 GLU N N 115 123.990 123.990 121.493 2.497 19562 8784 1 17 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.406 0.157 19562 8785 1 17 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.672 -0.947 19562 8786 1 17 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.289 -0.854 19562 8787 1 17 . 1 1 115 115 GLU H H 115 8.392 8.392 8.186 0.206 19562 8788 1 17 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.245 0.185 19562 8789 1 17 . 1 1 116 116 PRO CA C 116 62.670 62.670 64.582 -1.912 19562 8790 1 17 . 1 1 116 116 PRO CB C 116 31.655 31.655 31.788 -0.133 19562 8791 1 17 . 1 1 117 117 VAL N N 117 121.339 121.339 109.969 11.370 19562 8792 1 17 . 1 1 117 117 VAL HA H 117 4.076 4.076 4.205 -0.129 19562 8793 1 17 . 1 1 117 117 VAL CA C 117 61.990 61.990 60.843 1.147 19562 8794 1 17 . 1 1 117 117 VAL CB C 117 31.820 31.820 34.376 -2.556 19562 8795 1 17 . 1 1 117 117 VAL H H 117 8.266 8.266 7.460 0.806 19562 8796 1 17 . 1 1 118 118 VAL N N 118 124.762 124.762 123.909 0.853 19562 8797 1 17 . 1 1 118 118 VAL HA H 118 4.116 4.116 4.209 -0.093 19562 8798 1 17 . 1 1 118 118 VAL H H 118 8.202 8.202 8.211 -0.009 19562 8799 1 17 . 1 1 119 119 GLU N N 119 125.304 125.304 123.092 2.212 19562 8800 1 17 . 1 1 119 119 GLU H H 119 8.479 8.479 8.834 -0.355 19562 8801 1 17 . 1 1 120 120 ARG HA H 120 4.395 4.395 3.992 0.403 19562 8802 1 17 . 1 1 120 120 ARG CA C 120 55.350 55.350 57.368 -2.018 19562 8803 1 17 . 1 1 120 120 ARG CB C 120 30.565 30.565 30.241 0.324 19562 8804 1 17 . 1 1 121 121 ASN N N 121 120.465 120.465 116.780 3.685 19562 8805 1 17 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.544 0.210 19562 8806 1 17 . 1 1 121 121 ASN H H 121 8.536 8.536 8.492 0.044 19562 8807 1 18 . 1 1 9 9 HIS HA H 9 4.619 4.619 5.221 -0.602 19562 8808 1 18 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.491 0.657 19562 8809 1 18 . 1 1 9 9 HIS CB C 9 29.609 29.609 32.257 -2.648 19562 8810 1 18 . 1 1 10 10 MET N N 10 120.964 120.964 122.115 -1.151 19562 8811 1 18 . 1 1 10 10 MET HA H 10 4.395 4.395 4.503 -0.108 19562 8812 1 18 . 1 1 10 10 MET CA C 10 55.153 55.153 56.585 -1.432 19562 8813 1 18 . 1 1 10 10 MET CB C 10 32.293 32.293 33.609 -1.316 19562 8814 1 18 . 1 1 10 10 MET H H 10 8.274 8.274 9.053 -0.779 19562 8815 1 18 . 1 1 11 11 ASP N N 11 120.989 120.989 117.418 3.571 19562 8816 1 18 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.704 0.042 19562 8817 1 18 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.509 0.691 19562 8818 1 18 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.252 -1.052 19562 8819 1 18 . 1 1 11 11 ASP H H 11 8.281 8.281 8.214 0.067 19562 8820 1 18 . 1 1 12 12 THR N N 12 113.244 113.244 114.678 -1.434 19562 8821 1 18 . 1 1 12 12 THR HA H 12 4.312 4.312 4.236 0.076 19562 8822 1 18 . 1 1 12 12 THR CA C 12 61.218 61.218 62.527 -1.309 19562 8823 1 18 . 1 1 12 12 THR CB C 12 69.316 69.316 68.595 0.721 19562 8824 1 18 . 1 1 12 12 THR H H 12 7.979 7.979 7.856 0.123 19562 8825 1 18 . 1 1 13 13 VAL N N 13 123.579 123.579 127.626 -4.047 19562 8826 1 18 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.131 0.273 19562 8827 1 18 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.217 -0.983 19562 8828 1 18 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.202 0.097 19562 8829 1 18 . 1 1 13 13 VAL H H 13 8.021 8.021 7.959 0.062 19562 8830 1 18 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.482 -0.055 19562 8831 1 18 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.566 0.334 19562 8832 1 18 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.483 -0.692 19562 8833 1 18 . 1 1 15 15 ASP N N 15 120.556 120.556 118.400 2.156 19562 8834 1 18 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.421 0.031 19562 8835 1 18 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.346 -1.925 19562 8836 1 18 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.782 -0.224 19562 8837 1 18 . 1 1 15 15 ASP H H 15 8.471 8.471 8.455 0.016 19562 8838 1 18 . 1 1 16 16 ASN N N 16 116.991 116.991 113.179 3.812 19562 8839 1 18 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.717 -0.113 19562 8840 1 18 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.323 -0.041 19562 8841 1 18 . 1 1 16 16 ASN CB C 16 37.731 37.731 40.077 -2.346 19562 8842 1 18 . 1 1 16 16 ASN H H 16 8.111 8.111 7.648 0.463 19562 8843 1 18 . 1 1 17 17 HIS N N 17 119.335 119.335 120.172 -0.837 19562 8844 1 18 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.698 -0.286 19562 8845 1 18 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.288 1.148 19562 8846 1 18 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.350 -0.341 19562 8847 1 18 . 1 1 17 17 HIS H H 17 8.014 8.014 8.592 -0.578 19562 8848 1 18 . 1 1 18 18 ARG N N 18 122.269 122.269 126.236 -3.967 19562 8849 1 18 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.889 0.094 19562 8850 1 18 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.708 -1.289 19562 8851 1 18 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.446 -0.665 19562 8852 1 18 . 1 1 18 18 ARG H H 18 8.209 8.209 8.169 0.040 19562 8853 1 18 . 1 1 19 19 ASN N N 19 114.495 114.495 113.651 0.844 19562 8854 1 18 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.228 0.487 19562 8855 1 18 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.772 -2.049 19562 8856 1 18 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.495 -0.461 19562 8857 1 18 . 1 1 19 19 ASN H H 19 8.565 8.565 7.702 0.863 19562 8858 1 18 . 1 1 20 20 LYS N N 20 117.932 117.932 121.024 -3.092 19562 8859 1 18 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.337 0.920 19562 8860 1 18 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.574 -0.838 19562 8861 1 18 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.839 3.176 19562 8862 1 18 . 1 1 20 20 LYS H H 20 7.040 7.040 7.217 -0.177 19562 8863 1 18 . 1 1 21 21 PHE N N 21 120.620 120.620 128.221 -7.601 19562 8864 1 18 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.619 -0.110 19562 8865 1 18 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.441 1.480 19562 8866 1 18 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.502 0.696 19562 8867 1 18 . 1 1 21 21 PHE H H 21 9.389 9.389 8.243 1.146 19562 8868 1 18 . 1 1 22 22 LYS N N 22 125.637 125.637 127.285 -1.648 19562 8869 1 18 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.433 0.304 19562 8870 1 18 . 1 1 22 22 LYS CA C 22 56.972 56.972 56.207 0.765 19562 8871 1 18 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.350 -0.044 19562 8872 1 18 . 1 1 22 22 LYS H H 22 9.258 9.258 9.024 0.234 19562 8873 1 18 . 1 1 23 23 VAL N N 23 118.282 118.282 118.687 -0.405 19562 8874 1 18 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.450 1.177 19562 8875 1 18 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.355 -0.970 19562 8876 1 18 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.199 2.317 19562 8877 1 18 . 1 1 23 23 VAL H H 23 8.672 8.672 7.459 1.213 19562 8878 1 18 . 1 1 24 24 ILE N N 24 120.397 120.397 119.832 0.565 19562 8879 1 18 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.419 0.394 19562 8880 1 18 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.775 0.386 19562 8881 1 18 . 1 1 24 24 ILE CB C 24 42.068 42.068 39.620 2.448 19562 8882 1 18 . 1 1 24 24 ILE H H 24 8.824 8.824 7.526 1.298 19562 8883 1 18 . 1 1 25 25 ASN N N 25 127.655 127.655 127.542 0.113 19562 8884 1 18 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.780 -0.279 19562 8885 1 18 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.651 0.550 19562 8886 1 18 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.541 0.979 19562 8887 1 18 . 1 1 25 25 ASN H H 25 9.232 9.232 8.494 0.738 19562 8888 1 18 . 1 1 26 26 VAL N N 26 116.322 116.322 118.556 -2.234 19562 8889 1 18 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.366 0.176 19562 8890 1 18 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.568 -1.796 19562 8891 1 18 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.891 0.380 19562 8892 1 18 . 1 1 26 26 VAL H H 26 7.680 7.680 7.446 0.234 19562 8893 1 18 . 1 1 27 27 ASP N N 27 117.000 117.000 125.569 -8.569 19562 8894 1 18 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.889 -0.796 19562 8895 1 18 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.177 -2.215 19562 8896 1 18 . 1 1 27 27 ASP H H 27 7.500 7.500 8.175 -0.675 19562 8897 1 18 . 1 1 28 28 ASP N N 28 112.540 112.540 123.921 -11.381 19562 8898 1 18 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.343 -0.172 19562 8899 1 18 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.011 0.287 19562 8900 1 18 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.701 -0.617 19562 8901 1 18 . 1 1 28 28 ASP H H 28 7.922 7.922 8.972 -1.050 19562 8902 1 18 . 1 1 29 29 ASP N N 29 115.319 115.319 116.475 -1.156 19562 8903 1 18 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.648 0.097 19562 8904 1 18 . 1 1 29 29 ASP CA C 29 53.451 53.451 54.022 -0.571 19562 8905 1 18 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.800 0.204 19562 8906 1 18 . 1 1 29 29 ASP H H 29 7.809 7.809 8.212 -0.403 19562 8907 1 18 . 1 1 30 30 GLY N N 30 108.887 108.887 109.132 -0.245 19562 8908 1 18 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.310 -0.821 19562 8909 1 18 . 1 1 30 30 GLY H H 30 8.196 8.196 8.306 -0.110 19562 8910 1 18 . 1 1 31 31 ASN N N 31 119.906 119.906 118.136 1.770 19562 8911 1 18 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.765 -0.282 19562 8912 1 18 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.471 0.730 19562 8913 1 18 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.717 -2.106 19562 8914 1 18 . 1 1 31 31 ASN H H 31 8.643 8.643 8.083 0.560 19562 8915 1 18 . 1 1 32 32 GLU N N 32 119.114 119.114 126.091 -6.977 19562 8916 1 18 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.083 -0.184 19562 8917 1 18 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.224 0.237 19562 8918 1 18 . 1 1 32 32 GLU H H 32 8.525 8.525 8.926 -0.401 19562 8919 1 18 . 1 1 33 33 LEU N N 33 126.117 126.117 122.567 3.550 19562 8920 1 18 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.261 0.348 19562 8921 1 18 . 1 1 33 33 LEU CA C 33 52.925 52.925 55.519 -2.594 19562 8922 1 18 . 1 1 33 33 LEU CB C 33 40.756 40.756 42.779 -2.023 19562 8923 1 18 . 1 1 33 33 LEU H H 33 8.817 8.817 8.621 0.196 19562 8924 1 18 . 1 1 34 34 GLY N N 34 108.970 108.970 106.734 2.236 19562 8925 1 18 . 1 1 34 34 GLY CA C 34 44.989 44.989 45.363 -0.374 19562 8926 1 18 . 1 1 34 34 GLY H H 34 8.228 8.228 7.756 0.472 19562 8927 1 18 . 1 1 35 35 SER N N 35 118.388 118.388 119.417 -1.029 19562 8928 1 18 . 1 1 35 35 SER HA H 35 5.465 5.465 4.443 1.022 19562 8929 1 18 . 1 1 35 35 SER CA C 35 57.205 57.205 58.853 -1.648 19562 8930 1 18 . 1 1 35 35 SER CB C 35 65.393 65.393 63.562 1.831 19562 8931 1 18 . 1 1 35 35 SER H H 35 8.776 8.776 8.446 0.330 19562 8932 1 18 . 1 1 36 36 GLY N N 36 109.081 109.081 111.378 -2.297 19562 8933 1 18 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.578 1.907 19562 8934 1 18 . 1 1 36 36 GLY H H 36 9.013 9.013 7.709 1.304 19562 8935 1 18 . 1 1 37 37 ILE N N 37 121.560 121.560 118.943 2.617 19562 8936 1 18 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.668 0.436 19562 8937 1 18 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.276 -1.154 19562 8938 1 18 . 1 1 37 37 ILE CB C 37 40.465 40.465 42.031 -1.566 19562 8939 1 18 . 1 1 37 37 ILE H H 37 8.779 8.779 8.405 0.374 19562 8940 1 18 . 1 1 38 38 MET N N 38 128.553 128.553 123.091 5.462 19562 8941 1 18 . 1 1 38 38 MET HA H 38 5.735 5.735 4.848 0.887 19562 8942 1 18 . 1 1 38 38 MET CA C 38 53.008 53.008 53.485 -0.477 19562 8943 1 18 . 1 1 38 38 MET CB C 38 36.446 36.446 34.174 2.272 19562 8944 1 18 . 1 1 38 38 MET H H 38 9.827 9.827 9.430 0.397 19562 8945 1 18 . 1 1 39 39 GLU N N 39 129.378 129.378 128.038 1.340 19562 8946 1 18 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.624 0.876 19562 8947 1 18 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.558 -2.103 19562 8948 1 18 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.795 4.741 19562 8949 1 18 . 1 1 39 39 GLU H H 39 10.160 10.160 9.324 0.836 19562 8950 1 18 . 1 1 40 40 LEU N N 40 127.174 127.174 129.650 -2.476 19562 8951 1 18 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.237 0.841 19562 8952 1 18 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.612 -1.172 19562 8953 1 18 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.935 0.078 19562 8954 1 18 . 1 1 40 40 LEU H H 40 8.334 8.334 8.545 -0.211 19562 8955 1 18 . 1 1 41 41 THR N N 41 115.971 115.971 115.534 0.437 19562 8956 1 18 . 1 1 41 41 THR HA H 41 5.012 5.012 4.533 0.479 19562 8957 1 18 . 1 1 41 41 THR CA C 41 59.113 59.113 59.556 -0.443 19562 8958 1 18 . 1 1 41 41 THR CB C 41 69.295 69.295 71.278 -1.984 19562 8959 1 18 . 1 1 41 41 THR H H 41 8.682 8.682 8.220 0.462 19562 8960 1 18 . 1 1 42 42 ASP N N 42 117.467 117.467 117.584 -0.117 19562 8961 1 18 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.160 0.455 19562 8962 1 18 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.127 -0.435 19562 8963 1 18 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.592 -0.801 19562 8964 1 18 . 1 1 42 42 ASP H H 42 8.794 8.794 8.484 0.310 19562 8965 1 18 . 1 1 43 43 THR N N 43 104.010 104.010 105.685 -1.675 19562 8966 1 18 . 1 1 43 43 THR HA H 43 4.412 4.412 3.506 0.906 19562 8967 1 18 . 1 1 43 43 THR CA C 43 61.601 61.601 60.738 0.863 19562 8968 1 18 . 1 1 43 43 THR CB C 43 71.362 71.362 69.990 1.372 19562 8969 1 18 . 1 1 43 43 THR H H 43 7.763 7.763 7.413 0.350 19562 8970 1 18 . 1 1 44 44 GLU N N 44 118.980 118.980 121.340 -2.360 19562 8971 1 18 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.909 -0.739 19562 8972 1 18 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.365 -1.425 19562 8973 1 18 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.694 -0.207 19562 8974 1 18 . 1 1 44 44 GLU H H 44 7.263 7.263 7.628 -0.365 19562 8975 1 18 . 1 1 45 45 LEU N N 45 122.138 122.138 127.952 -5.814 19562 8976 1 18 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.737 0.235 19562 8977 1 18 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.685 -0.964 19562 8978 1 18 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.688 1.550 19562 8979 1 18 . 1 1 45 45 LEU H H 45 8.314 8.314 9.344 -1.030 19562 8980 1 18 . 1 1 46 46 ILE N N 46 124.244 124.244 126.470 -2.226 19562 8981 1 18 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.549 0.175 19562 8982 1 18 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.761 1.549 19562 8983 1 18 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.324 4.166 19562 8984 1 18 . 1 1 46 46 ILE H H 46 9.154 9.154 9.358 -0.204 19562 8985 1 18 . 1 1 47 47 LEU N N 47 127.510 127.510 131.312 -3.802 19562 8986 1 18 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.986 0.280 19562 8987 1 18 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.204 -1.498 19562 8988 1 18 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.113 2.623 19562 8989 1 18 . 1 1 47 47 LEU H H 47 9.378 9.378 8.699 0.679 19562 8990 1 18 . 1 1 48 48 TYR N N 48 128.014 128.014 127.285 0.729 19562 8991 1 18 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.713 0.321 19562 8992 1 18 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.330 0.107 19562 8993 1 18 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.860 1.931 19562 8994 1 18 . 1 1 48 48 TYR H H 48 9.724 9.724 8.892 0.832 19562 8995 1 18 . 1 1 49 49 THR N N 49 115.097 115.097 116.532 -1.435 19562 8996 1 18 . 1 1 49 49 THR HA H 49 4.813 4.813 4.483 0.330 19562 8997 1 18 . 1 1 49 49 THR CA C 49 60.349 60.349 61.228 -0.879 19562 8998 1 18 . 1 1 49 49 THR CB C 49 70.967 70.967 70.259 0.708 19562 8999 1 18 . 1 1 49 49 THR H H 49 8.659 8.659 7.908 0.751 19562 9000 1 18 . 1 1 50 50 ARG N N 50 120.411 120.411 120.463 -0.052 19562 9001 1 18 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.143 0.056 19562 9002 1 18 . 1 1 50 50 ARG CA C 50 57.447 57.447 59.082 -1.635 19562 9003 1 18 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.486 -0.712 19562 9004 1 18 . 1 1 50 50 ARG H H 50 8.649 8.649 8.799 -0.150 19562 9005 1 18 . 1 1 51 51 LYS N N 51 117.579 117.579 116.417 1.162 19562 9006 1 18 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.512 -0.349 19562 9007 1 18 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.396 0.282 19562 9008 1 18 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.636 -1.279 19562 9009 1 18 . 1 1 51 51 LYS H H 51 8.406 8.406 8.146 0.260 19562 9010 1 18 . 1 1 52 52 ARG N N 52 116.662 116.662 121.306 -4.644 19562 9011 1 18 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.309 0.133 19562 9012 1 18 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.449 -1.144 19562 9013 1 18 . 1 1 52 52 ARG CB C 52 30.750 30.750 29.609 1.141 19562 9014 1 18 . 1 1 52 52 ARG H H 52 7.973 7.973 7.910 0.063 19562 9015 1 18 . 1 1 53 53 ASP N N 53 119.760 119.760 115.061 4.699 19562 9016 1 18 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.365 0.395 19562 9017 1 18 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.972 -1.081 19562 9018 1 18 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.448 -0.441 19562 9019 1 18 . 1 1 53 53 ASP H H 53 8.066 8.066 7.858 0.208 19562 9020 1 18 . 1 1 54 54 SER N N 54 116.756 116.756 114.808 1.948 19562 9021 1 18 . 1 1 54 54 SER HA H 54 4.891 4.891 4.333 0.558 19562 9022 1 18 . 1 1 54 54 SER CA C 54 57.072 57.072 59.402 -2.330 19562 9023 1 18 . 1 1 54 54 SER CB C 54 64.473 64.473 61.793 2.680 19562 9024 1 18 . 1 1 54 54 SER H H 54 8.477 8.477 8.276 0.201 19562 9025 1 18 . 1 1 55 55 VAL N N 55 122.716 122.716 124.922 -2.206 19562 9026 1 18 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.870 0.078 19562 9027 1 18 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.081 -2.625 19562 9028 1 18 . 1 1 55 55 VAL CB C 55 33.538 33.538 33.044 0.493 19562 9029 1 18 . 1 1 55 55 VAL H H 55 8.334 8.334 8.975 -0.641 19562 9030 1 18 . 1 1 56 56 LYS N N 56 121.568 121.568 121.327 0.241 19562 9031 1 18 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.928 0.343 19562 9032 1 18 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.355 -0.664 19562 9033 1 18 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.792 1.011 19562 9034 1 18 . 1 1 56 56 LYS H H 56 7.501 7.501 7.906 -0.405 19562 9035 1 18 . 1 1 57 57 TRP N N 57 123.638 123.638 123.251 0.387 19562 9036 1 18 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.853 -0.188 19562 9037 1 18 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.146 1.616 19562 9038 1 18 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.729 0.821 19562 9039 1 18 . 1 1 57 57 TRP H H 57 9.453 9.453 8.674 0.779 19562 9040 1 18 . 1 1 58 58 HIS N N 58 125.312 125.312 125.991 -0.679 19562 9041 1 18 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.000 -0.461 19562 9042 1 18 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.624 -0.440 19562 9043 1 18 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.231 -0.906 19562 9044 1 18 . 1 1 58 58 HIS H H 58 9.024 9.024 8.764 0.260 19562 9045 1 18 . 1 1 59 59 TYR N N 59 126.691 126.691 125.433 1.258 19562 9046 1 18 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.264 0.088 19562 9047 1 18 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.673 0.026 19562 9048 1 18 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.179 -1.652 19562 9049 1 18 . 1 1 59 59 TYR H H 59 8.079 8.079 8.750 -0.671 19562 9050 1 18 . 1 1 60 60 LEU N N 60 114.859 114.859 119.359 -4.500 19562 9051 1 18 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.363 -0.126 19562 9052 1 18 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.849 0.250 19562 9053 1 18 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.752 -0.198 19562 9054 1 18 . 1 1 60 60 LEU H H 60 9.307 9.307 8.143 1.164 19562 9055 1 18 . 1 1 61 61 CYS N N 61 114.415 114.415 116.239 -1.824 19562 9056 1 18 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.652 0.594 19562 9057 1 18 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.658 -1.225 19562 9058 1 18 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.472 -2.406 19562 9059 1 18 . 1 1 61 61 CYS H H 61 8.421 8.421 7.966 0.455 19562 9060 1 18 . 1 1 62 62 LEU N N 62 122.413 122.413 123.388 -0.975 19562 9061 1 18 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.251 0.496 19562 9062 1 18 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.872 -1.434 19562 9063 1 18 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.050 0.989 19562 9064 1 18 . 1 1 62 62 LEU H H 62 7.702 7.702 7.523 0.179 19562 9065 1 18 . 1 1 63 63 ARG N N 63 122.839 122.839 121.691 1.148 19562 9066 1 18 . 1 1 63 63 ARG H H 63 9.301 9.301 8.916 0.385 19562 9067 1 18 . 1 1 64 64 ARG N N 64 111.512 111.512 114.951 -3.439 19562 9068 1 18 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.691 0.795 19562 9069 1 18 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.799 -1.154 19562 9070 1 18 . 1 1 64 64 ARG CB C 64 35.005 35.005 33.577 1.429 19562 9071 1 18 . 1 1 64 64 ARG H H 64 7.457 7.457 7.686 -0.230 19562 9072 1 18 . 1 1 65 65 TYR N N 65 115.127 115.127 114.562 0.565 19562 9073 1 18 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.103 0.437 19562 9074 1 18 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.124 -0.935 19562 9075 1 18 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.270 -0.756 19562 9076 1 18 . 1 1 65 65 TYR H H 65 8.340 8.340 8.402 -0.062 19562 9077 1 18 . 1 1 66 66 GLY N N 66 104.938 104.938 108.596 -3.658 19562 9078 1 18 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.560 2.340 19562 9079 1 18 . 1 1 66 66 GLY H H 66 8.950 8.950 8.636 0.314 19562 9080 1 18 . 1 1 67 67 TYR N N 67 117.143 117.143 119.955 -2.812 19562 9081 1 18 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.542 0.020 19562 9082 1 18 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.032 -1.547 19562 9083 1 18 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.274 2.073 19562 9084 1 18 . 1 1 67 67 TYR H H 67 8.022 8.022 7.965 0.057 19562 9085 1 18 . 1 1 68 68 ASP N N 68 119.290 119.290 128.803 -9.513 19562 9086 1 18 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.137 -0.307 19562 9087 1 18 . 1 1 68 68 ASP CA C 68 55.442 55.442 53.667 1.775 19562 9088 1 18 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.314 3.702 19562 9089 1 18 . 1 1 68 68 ASP H H 68 8.656 8.656 9.087 -0.431 19562 9090 1 18 . 1 1 69 69 SER N N 69 119.561 119.561 122.819 -3.258 19562 9091 1 18 . 1 1 69 69 SER HA H 69 4.040 4.040 4.210 -0.170 19562 9092 1 18 . 1 1 69 69 SER CB C 69 59.170 59.170 62.121 -2.951 19562 9093 1 18 . 1 1 69 69 SER H H 69 8.957 8.957 8.779 0.178 19562 9094 1 18 . 1 1 70 70 ASN N N 70 119.438 119.438 112.102 7.336 19562 9095 1 18 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.471 0.661 19562 9096 1 18 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.645 -2.657 19562 9097 1 18 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.142 0.136 19562 9098 1 18 . 1 1 70 70 ASN H H 70 8.502 8.502 8.857 -0.355 19562 9099 1 18 . 1 1 71 71 LEU N N 71 120.481 120.481 119.738 0.743 19562 9100 1 18 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.804 0.761 19562 9101 1 18 . 1 1 71 71 LEU CA C 71 53.451 53.451 53.897 -0.446 19562 9102 1 18 . 1 1 71 71 LEU CB C 71 45.736 45.736 43.550 2.186 19562 9103 1 18 . 1 1 71 71 LEU H H 71 8.807 8.807 7.648 1.159 19562 9104 1 18 . 1 1 72 72 PHE N N 72 120.815 120.815 127.231 -6.416 19562 9105 1 18 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.416 0.111 19562 9106 1 18 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.422 -0.238 19562 9107 1 18 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.674 1.189 19562 9108 1 18 . 1 1 72 72 PHE H H 72 9.439 9.439 9.703 -0.264 19562 9109 1 18 . 1 1 73 73 SER N N 73 120.270 120.270 118.443 1.827 19562 9110 1 18 . 1 1 73 73 SER HA H 73 5.387 5.387 4.345 1.042 19562 9111 1 18 . 1 1 73 73 SER CA C 73 54.994 54.994 55.152 -0.158 19562 9112 1 18 . 1 1 73 73 SER CB C 73 66.409 66.409 65.639 0.769 19562 9113 1 18 . 1 1 73 73 SER H H 73 8.597 8.597 8.099 0.498 19562 9114 1 18 . 1 1 74 74 PHE N N 74 117.157 117.157 116.119 1.038 19562 9115 1 18 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.193 0.068 19562 9116 1 18 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.053 -0.354 19562 9117 1 18 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.221 0.682 19562 9118 1 18 . 1 1 74 74 PHE H H 74 8.050 8.050 7.745 0.305 19562 9119 1 18 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.995 0.741 19562 9120 1 18 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.476 -2.767 19562 9121 1 18 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.490 0.330 19562 9122 1 18 . 1 1 76 76 SER N N 76 123.656 123.656 123.038 0.618 19562 9123 1 18 . 1 1 76 76 SER HA H 76 5.243 5.243 5.172 0.071 19562 9124 1 18 . 1 1 76 76 SER CA C 76 56.906 56.906 57.012 -0.106 19562 9125 1 18 . 1 1 76 76 SER CB C 76 67.886 67.886 63.866 4.020 19562 9126 1 18 . 1 1 76 76 SER H H 76 9.930 9.930 9.038 0.892 19562 9127 1 18 . 1 1 77 77 GLY N N 77 105.906 105.906 110.454 -4.548 19562 9128 1 18 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.765 0.235 19562 9129 1 18 . 1 1 77 77 GLY H H 77 8.939 8.939 9.092 -0.153 19562 9130 1 18 . 1 1 78 78 ARG N N 78 114.676 114.676 118.580 -3.904 19562 9131 1 18 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.441 -0.424 19562 9132 1 18 . 1 1 78 78 ARG H H 78 9.680 9.680 7.715 1.965 19562 9133 1 18 . 1 1 79 79 ARG N N 79 121.801 121.801 123.081 -1.280 19562 9134 1 18 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.367 0.206 19562 9135 1 18 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.390 -2.462 19562 9136 1 18 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.753 -3.683 19562 9137 1 18 . 1 1 79 79 ARG H H 79 9.389 9.389 8.567 0.822 19562 9138 1 18 . 1 1 80 80 CYS N N 80 113.901 113.901 118.333 -4.432 19562 9139 1 18 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.639 0.249 19562 9140 1 18 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.248 -1.283 19562 9141 1 18 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.625 -1.027 19562 9142 1 18 . 1 1 80 80 CYS H H 80 7.994 7.994 8.202 -0.208 19562 9143 1 18 . 1 1 81 81 GLN N N 81 122.839 122.839 121.040 1.799 19562 9144 1 18 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.037 0.059 19562 9145 1 18 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.439 0.500 19562 9146 1 18 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.127 -0.787 19562 9147 1 18 . 1 1 81 81 GLN H H 81 8.950 8.950 8.711 0.239 19562 9148 1 18 . 1 1 82 82 THR N N 82 107.297 107.297 110.242 -2.945 19562 9149 1 18 . 1 1 82 82 THR HA H 82 4.207 4.207 4.445 -0.238 19562 9150 1 18 . 1 1 82 82 THR CA C 82 63.147 63.147 61.494 1.653 19562 9151 1 18 . 1 1 82 82 THR CB C 82 70.591 70.591 68.422 2.169 19562 9152 1 18 . 1 1 82 82 THR H H 82 8.345 8.345 7.870 0.475 19562 9153 1 18 . 1 1 83 83 GLY N N 83 112.681 112.681 112.139 0.542 19562 9154 1 18 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.743 -1.749 19562 9155 1 18 . 1 1 83 83 GLY H H 83 7.820 7.820 8.336 -0.516 19562 9156 1 18 . 1 1 84 84 GLN N N 84 119.972 119.972 117.305 2.667 19562 9157 1 18 . 1 1 84 84 GLN H H 84 8.622 8.622 8.685 -0.064 19562 9158 1 18 . 1 1 85 85 GLY N N 85 111.040 111.040 104.831 6.209 19562 9159 1 18 . 1 1 85 85 GLY H H 85 8.056 8.056 7.731 0.325 19562 9160 1 18 . 1 1 86 86 ILE N N 86 121.645 121.645 124.390 -2.745 19562 9161 1 18 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.435 -0.149 19562 9162 1 18 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.045 -1.883 19562 9163 1 18 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.983 1.559 19562 9164 1 18 . 1 1 86 86 ILE H H 86 8.021 8.021 8.363 -0.342 19562 9165 1 18 . 1 1 87 87 PHE N N 87 123.890 123.890 129.778 -5.888 19562 9166 1 18 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.502 0.124 19562 9167 1 18 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.915 0.029 19562 9168 1 18 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.051 0.952 19562 9169 1 18 . 1 1 87 87 PHE H H 87 8.476 8.476 9.011 -0.535 19562 9170 1 18 . 1 1 88 88 ALA N N 88 124.824 124.824 128.976 -4.152 19562 9171 1 18 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.010 1.271 19562 9172 1 18 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.649 0.555 19562 9173 1 18 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.123 1.212 19562 9174 1 18 . 1 1 88 88 ALA H H 88 9.149 9.149 8.077 1.072 19562 9175 1 18 . 1 1 89 89 PHE N N 89 118.047 118.047 118.588 -0.541 19562 9176 1 18 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.887 0.558 19562 9177 1 18 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.881 -0.176 19562 9178 1 18 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.829 0.667 19562 9179 1 18 . 1 1 89 89 PHE H H 89 9.423 9.423 8.982 0.441 19562 9180 1 18 . 1 1 90 90 LYS N N 90 122.937 122.937 125.140 -2.203 19562 9181 1 18 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.537 0.968 19562 9182 1 18 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.270 -1.442 19562 9183 1 18 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.642 2.371 19562 9184 1 18 . 1 1 90 90 LYS H H 90 9.943 9.943 9.086 0.857 19562 9185 1 18 . 1 1 91 91 CYS N N 91 126.115 126.115 122.818 3.297 19562 9186 1 18 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.544 0.209 19562 9187 1 18 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.563 0.612 19562 9188 1 18 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.636 -0.827 19562 9189 1 18 . 1 1 91 91 CYS H H 91 9.689 9.689 8.425 1.264 19562 9190 1 18 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.542 -0.111 19562 9191 1 18 . 1 1 92 92 ALA CA C 92 54.710 54.710 53.596 1.115 19562 9192 1 18 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.672 -0.809 19562 9193 1 18 . 1 1 93 93 ARG N N 93 117.248 117.248 117.986 -0.738 19562 9194 1 18 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.239 0.773 19562 9195 1 18 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.264 0.693 19562 9196 1 18 . 1 1 93 93 ARG CB C 93 30.803 30.803 28.454 2.349 19562 9197 1 18 . 1 1 93 93 ARG H H 93 7.964 7.964 7.406 0.558 19562 9198 1 18 . 1 1 94 94 ALA N N 94 122.369 122.369 124.322 -1.953 19562 9199 1 18 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.961 -0.438 19562 9200 1 18 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.561 -0.590 19562 9201 1 18 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.692 -0.596 19562 9202 1 18 . 1 1 94 94 ALA H H 94 7.310 7.310 8.327 -1.017 19562 9203 1 18 . 1 1 95 95 GLU N N 95 116.205 116.205 117.941 -1.736 19562 9204 1 18 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.751 -0.271 19562 9205 1 18 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.149 -0.453 19562 9206 1 18 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.804 1.257 19562 9207 1 18 . 1 1 95 95 GLU H H 95 8.376 8.376 8.531 -0.155 19562 9208 1 18 . 1 1 96 96 GLU N N 96 119.188 119.188 120.587 -1.399 19562 9209 1 18 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.020 -0.053 19562 9210 1 18 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.360 0.540 19562 9211 1 18 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.066 0.964 19562 9212 1 18 . 1 1 96 96 GLU H H 96 7.418 7.418 7.812 -0.394 19562 9213 1 18 . 1 1 97 97 LEU N N 97 123.654 123.654 120.631 3.023 19562 9214 1 18 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.122 -1.108 19562 9215 1 18 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.507 0.212 19562 9216 1 18 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.895 -0.882 19562 9217 1 18 . 1 1 97 97 LEU H H 97 7.847 7.847 8.721 -0.874 19562 9218 1 18 . 1 1 98 98 PHE N N 98 118.746 118.746 119.437 -0.691 19562 9219 1 18 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.322 -0.529 19562 9220 1 18 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.486 0.209 19562 9221 1 18 . 1 1 98 98 PHE H H 98 8.076 8.076 9.119 -1.043 19562 9222 1 18 . 1 1 99 99 ASN N N 99 117.017 117.017 117.777 -0.760 19562 9223 1 18 . 1 1 99 99 ASN HA H 99 4.220 4.220 3.855 0.365 19562 9224 1 18 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.863 -0.397 19562 9225 1 18 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.150 -0.869 19562 9226 1 18 . 1 1 99 99 ASN H H 99 8.622 8.622 8.219 0.403 19562 9227 1 18 . 1 1 100 100 MET N N 100 121.914 121.914 120.358 1.556 19562 9228 1 18 . 1 1 100 100 MET HA H 100 4.061 4.061 4.233 -0.172 19562 9229 1 18 . 1 1 100 100 MET CA C 100 58.699 58.699 59.006 -0.307 19562 9230 1 18 . 1 1 100 100 MET CB C 100 32.048 32.048 32.570 -0.522 19562 9231 1 18 . 1 1 100 100 MET H H 100 8.316 8.316 8.585 -0.269 19562 9232 1 18 . 1 1 101 101 LEU N N 101 121.094 121.094 120.121 0.973 19562 9233 1 18 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.074 -0.494 19562 9234 1 18 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.091 -0.665 19562 9235 1 18 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.359 -0.259 19562 9236 1 18 . 1 1 101 101 LEU H H 101 8.047 8.047 8.732 -0.685 19562 9237 1 18 . 1 1 102 102 GLN N N 102 116.417 116.417 117.357 -0.940 19562 9238 1 18 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.074 -0.160 19562 9239 1 18 . 1 1 102 102 GLN CA C 102 58.446 58.446 59.068 -0.622 19562 9240 1 18 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.341 0.346 19562 9241 1 18 . 1 1 102 102 GLN H H 102 8.195 8.195 8.445 -0.250 19562 9242 1 18 . 1 1 103 103 GLU N N 103 119.096 119.096 120.542 -1.446 19562 9243 1 18 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.199 -0.291 19562 9244 1 18 . 1 1 103 103 GLU CA C 103 58.917 58.917 59.198 -0.281 19562 9245 1 18 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.484 -0.423 19562 9246 1 18 . 1 1 103 103 GLU H H 103 7.635 7.635 8.493 -0.858 19562 9247 1 18 . 1 1 104 104 ILE N N 104 120.803 120.803 121.329 -0.526 19562 9248 1 18 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.595 0.006 19562 9249 1 18 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.667 -0.957 19562 9250 1 18 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.807 0.243 19562 9251 1 18 . 1 1 104 104 ILE H H 104 7.965 7.965 8.789 -0.824 19562 9252 1 18 . 1 1 105 105 MET N N 105 117.016 117.016 118.762 -1.746 19562 9253 1 18 . 1 1 105 105 MET HA H 105 4.020 4.020 4.133 -0.113 19562 9254 1 18 . 1 1 105 105 MET CA C 105 57.384 57.384 59.826 -2.442 19562 9255 1 18 . 1 1 105 105 MET H H 105 8.145 8.145 8.488 -0.343 19562 9256 1 18 . 1 1 106 106 GLN N N 106 116.150 116.150 117.748 -1.598 19562 9257 1 18 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.070 0.133 19562 9258 1 18 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.513 -1.872 19562 9259 1 18 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.680 -0.567 19562 9260 1 18 . 1 1 106 106 GLN H H 106 7.930 7.930 8.457 -0.527 19562 9261 1 18 . 1 1 107 107 ASN N N 107 117.360 117.360 114.680 2.680 19562 9262 1 18 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.756 -0.036 19562 9263 1 18 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.925 -1.428 19562 9264 1 18 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.564 -1.005 19562 9265 1 18 . 1 1 107 107 ASN H H 107 7.872 7.872 8.448 -0.576 19562 9266 1 18 . 1 1 108 108 ASN N N 108 118.611 118.611 117.528 1.083 19562 9267 1 18 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.798 -0.038 19562 9268 1 18 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.836 -2.136 19562 9269 1 18 . 1 1 108 108 ASN CB C 108 38.518 38.518 39.657 -1.139 19562 9270 1 18 . 1 1 108 108 ASN H H 108 8.144 8.144 8.453 -0.309 19562 9271 1 18 . 1 1 109 109 SER N N 109 115.704 115.704 114.087 1.617 19562 9272 1 18 . 1 1 109 109 SER HA H 109 4.519 4.519 4.104 0.415 19562 9273 1 18 . 1 1 109 109 SER CA C 109 57.700 57.700 60.281 -2.580 19562 9274 1 18 . 1 1 109 109 SER CB C 109 63.150 63.150 62.701 0.449 19562 9275 1 18 . 1 1 109 109 SER H H 109 8.215 8.215 7.830 0.385 19562 9276 1 18 . 1 1 110 110 ILE N N 110 121.954 121.954 119.443 2.511 19562 9277 1 18 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.692 0.520 19562 9278 1 18 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.368 -1.482 19562 9279 1 18 . 1 1 110 110 ILE CB C 110 38.235 38.235 37.008 1.227 19562 9280 1 18 . 1 1 110 110 ILE H H 110 8.061 8.061 7.633 0.428 19562 9281 1 18 . 1 1 111 111 ASN N N 111 122.386 122.386 124.552 -2.166 19562 9282 1 18 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.987 -0.205 19562 9283 1 18 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.323 0.411 19562 9284 1 18 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.184 -2.384 19562 9285 1 18 . 1 1 111 111 ASN H H 111 8.376 8.376 8.356 0.020 19562 9286 1 18 . 1 1 112 112 VAL N N 112 120.830 120.830 124.774 -3.944 19562 9287 1 18 . 1 1 112 112 VAL HA H 112 4.185 4.185 3.982 0.203 19562 9288 1 18 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.561 -0.901 19562 9289 1 18 . 1 1 112 112 VAL CB C 112 32.330 32.330 30.897 1.433 19562 9290 1 18 . 1 1 112 112 VAL H H 112 8.067 8.067 8.497 -0.430 19562 9291 1 18 . 1 1 113 113 VAL N N 113 124.249 124.249 127.561 -3.312 19562 9292 1 18 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.005 0.110 19562 9293 1 18 . 1 1 113 113 VAL CA C 113 61.450 61.450 62.821 -1.371 19562 9294 1 18 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.057 -0.712 19562 9295 1 18 . 1 1 113 113 VAL H H 113 8.167 8.167 7.953 0.214 19562 9296 1 18 . 1 1 114 114 GLU N N 114 125.288 125.288 122.267 3.021 19562 9297 1 18 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.063 0.246 19562 9298 1 18 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.184 -1.494 19562 9299 1 18 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.714 1.336 19562 9300 1 18 . 1 1 114 114 GLU H H 114 8.405 8.405 8.566 -0.161 19562 9301 1 18 . 1 1 115 115 GLU N N 115 123.990 123.990 122.012 1.978 19562 9302 1 18 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.625 -0.062 19562 9303 1 18 . 1 1 115 115 GLU CA C 115 53.725 53.725 53.885 -0.160 19562 9304 1 18 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.708 -1.273 19562 9305 1 18 . 1 1 115 115 GLU H H 115 8.392 8.392 8.178 0.214 19562 9306 1 18 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.357 0.073 19562 9307 1 18 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.697 -0.027 19562 9308 1 18 . 1 1 116 116 PRO CB C 116 31.655 31.655 29.926 1.729 19562 9309 1 18 . 1 1 117 117 VAL N N 117 121.339 121.339 116.847 4.492 19562 9310 1 18 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.662 0.414 19562 9311 1 18 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.841 -0.851 19562 9312 1 18 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.529 0.291 19562 9313 1 18 . 1 1 117 117 VAL H H 117 8.266 8.266 8.228 0.038 19562 9314 1 18 . 1 1 118 118 VAL N N 118 124.762 124.762 127.766 -3.004 19562 9315 1 18 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.948 0.168 19562 9316 1 18 . 1 1 118 118 VAL H H 118 8.202 8.202 8.453 -0.251 19562 9317 1 18 . 1 1 119 119 GLU N N 119 125.304 125.304 126.373 -1.069 19562 9318 1 18 . 1 1 119 119 GLU H H 119 8.479 8.479 8.553 -0.074 19562 9319 1 18 . 1 1 120 120 ARG HA H 120 4.395 4.395 3.979 0.416 19562 9320 1 18 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.616 -1.266 19562 9321 1 18 . 1 1 120 120 ARG CB C 120 30.565 30.565 28.568 1.997 19562 9322 1 18 . 1 1 121 121 ASN N N 121 120.465 120.465 117.459 3.006 19562 9323 1 18 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.480 0.274 19562 9324 1 18 . 1 1 121 121 ASN H H 121 8.536 8.536 8.710 -0.174 19562 9325 1 19 . 1 1 9 9 HIS HA H 9 4.619 4.619 5.023 -0.404 19562 9326 1 19 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.402 0.746 19562 9327 1 19 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.174 -0.565 19562 9328 1 19 . 1 1 10 10 MET N N 10 120.964 120.964 121.521 -0.557 19562 9329 1 19 . 1 1 10 10 MET HA H 10 4.395 4.395 4.164 0.231 19562 9330 1 19 . 1 1 10 10 MET CA C 10 55.153 55.153 58.795 -3.642 19562 9331 1 19 . 1 1 10 10 MET CB C 10 32.293 32.293 32.998 -0.705 19562 9332 1 19 . 1 1 10 10 MET H H 10 8.274 8.274 8.345 -0.071 19562 9333 1 19 . 1 1 11 11 ASP N N 11 120.989 120.989 115.979 5.010 19562 9334 1 19 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.653 0.093 19562 9335 1 19 . 1 1 11 11 ASP CA C 11 54.200 54.200 56.186 -1.986 19562 9336 1 19 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.435 -0.235 19562 9337 1 19 . 1 1 11 11 ASP H H 11 8.281 8.281 8.607 -0.326 19562 9338 1 19 . 1 1 12 12 THR N N 12 113.244 113.244 112.634 0.610 19562 9339 1 19 . 1 1 12 12 THR HA H 12 4.312 4.312 4.187 0.125 19562 9340 1 19 . 1 1 12 12 THR CA C 12 61.218 61.218 63.790 -2.572 19562 9341 1 19 . 1 1 12 12 THR CB C 12 69.316 69.316 69.093 0.223 19562 9342 1 19 . 1 1 12 12 THR H H 12 7.979 7.979 7.931 0.048 19562 9343 1 19 . 1 1 13 13 VAL N N 13 123.579 123.579 120.873 2.706 19562 9344 1 19 . 1 1 13 13 VAL HA H 13 4.404 4.404 3.966 0.438 19562 9345 1 19 . 1 1 13 13 VAL CA C 13 59.234 59.234 63.426 -4.192 19562 9346 1 19 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.348 -0.049 19562 9347 1 19 . 1 1 13 13 VAL H H 13 8.021 8.021 7.580 0.441 19562 9348 1 19 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.129 0.298 19562 9349 1 19 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.820 0.080 19562 9350 1 19 . 1 1 14 14 PRO CB C 14 31.790 31.790 30.414 1.376 19562 9351 1 19 . 1 1 15 15 ASP N N 15 120.556 120.556 121.651 -1.095 19562 9352 1 19 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.107 0.345 19562 9353 1 19 . 1 1 15 15 ASP CA C 15 54.421 54.421 56.963 -2.542 19562 9354 1 19 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.115 0.443 19562 9355 1 19 . 1 1 15 15 ASP H H 15 8.471 8.471 8.729 -0.258 19562 9356 1 19 . 1 1 16 16 ASN N N 16 116.991 116.991 119.039 -2.048 19562 9357 1 19 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.854 -0.250 19562 9358 1 19 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.267 0.015 19562 9359 1 19 . 1 1 16 16 ASN CB C 16 37.731 37.731 38.922 -1.191 19562 9360 1 19 . 1 1 16 16 ASN H H 16 8.111 8.111 8.185 -0.074 19562 9361 1 19 . 1 1 17 17 HIS N N 17 119.335 119.335 119.981 -0.646 19562 9362 1 19 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.805 -0.393 19562 9363 1 19 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.099 1.337 19562 9364 1 19 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.191 -0.182 19562 9365 1 19 . 1 1 17 17 HIS H H 17 8.014 8.014 7.954 0.060 19562 9366 1 19 . 1 1 18 18 ARG N N 18 122.269 122.269 117.637 4.632 19562 9367 1 19 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.901 0.082 19562 9368 1 19 . 1 1 18 18 ARG CA C 18 57.419 57.419 59.257 -1.838 19562 9369 1 19 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.410 -0.629 19562 9370 1 19 . 1 1 18 18 ARG H H 18 8.209 8.209 8.814 -0.605 19562 9371 1 19 . 1 1 19 19 ASN N N 19 114.495 114.495 113.433 1.062 19562 9372 1 19 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.125 0.590 19562 9373 1 19 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.898 -2.175 19562 9374 1 19 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.855 -0.821 19562 9375 1 19 . 1 1 19 19 ASN H H 19 8.565 8.565 6.782 1.783 19562 9376 1 19 . 1 1 20 20 LYS N N 20 117.932 117.932 121.711 -3.779 19562 9377 1 19 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.092 1.165 19562 9378 1 19 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.700 -0.964 19562 9379 1 19 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.281 3.734 19562 9380 1 19 . 1 1 20 20 LYS H H 20 7.040 7.040 7.046 -0.006 19562 9381 1 19 . 1 1 21 21 PHE N N 21 120.620 120.620 127.257 -6.637 19562 9382 1 19 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.627 -0.118 19562 9383 1 19 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.639 1.282 19562 9384 1 19 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.948 0.250 19562 9385 1 19 . 1 1 21 21 PHE H H 21 9.389 9.389 8.105 1.284 19562 9386 1 19 . 1 1 22 22 LYS N N 22 125.637 125.637 126.579 -0.942 19562 9387 1 19 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.504 0.233 19562 9388 1 19 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.637 1.335 19562 9389 1 19 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.502 -0.196 19562 9390 1 19 . 1 1 22 22 LYS H H 22 9.258 9.258 8.927 0.331 19562 9391 1 19 . 1 1 23 23 VAL N N 23 118.282 118.282 118.592 -0.310 19562 9392 1 19 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.449 1.178 19562 9393 1 19 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.446 -1.061 19562 9394 1 19 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.847 2.669 19562 9395 1 19 . 1 1 23 23 VAL H H 23 8.672 8.672 8.102 0.570 19562 9396 1 19 . 1 1 24 24 ILE N N 24 120.397 120.397 120.023 0.374 19562 9397 1 19 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.430 0.383 19562 9398 1 19 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.801 0.360 19562 9399 1 19 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.725 1.343 19562 9400 1 19 . 1 1 24 24 ILE H H 24 8.824 8.824 8.259 0.565 19562 9401 1 19 . 1 1 25 25 ASN N N 25 127.655 127.655 127.241 0.414 19562 9402 1 19 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.826 -0.325 19562 9403 1 19 . 1 1 25 25 ASN CA C 25 54.201 54.201 54.542 -0.341 19562 9404 1 19 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.801 0.719 19562 9405 1 19 . 1 1 25 25 ASN H H 25 9.232 9.232 8.485 0.747 19562 9406 1 19 . 1 1 26 26 VAL N N 26 116.322 116.322 117.107 -0.785 19562 9407 1 19 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.238 0.304 19562 9408 1 19 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.678 -1.906 19562 9409 1 19 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.734 0.536 19562 9410 1 19 . 1 1 26 26 VAL H H 26 7.680 7.680 7.514 0.166 19562 9411 1 19 . 1 1 27 27 ASP N N 27 117.000 117.000 125.385 -8.385 19562 9412 1 19 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.890 -0.797 19562 9413 1 19 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.195 -2.233 19562 9414 1 19 . 1 1 27 27 ASP H H 27 7.500 7.500 8.087 -0.587 19562 9415 1 19 . 1 1 28 28 ASP N N 28 112.540 112.540 123.988 -11.448 19562 9416 1 19 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.344 -0.173 19562 9417 1 19 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.038 0.260 19562 9418 1 19 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.687 -0.603 19562 9419 1 19 . 1 1 28 28 ASP H H 28 7.922 7.922 8.973 -1.051 19562 9420 1 19 . 1 1 29 29 ASP N N 29 115.319 115.319 116.752 -1.433 19562 9421 1 19 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.648 0.097 19562 9422 1 19 . 1 1 29 29 ASP CA C 29 53.451 53.451 54.148 -0.697 19562 9423 1 19 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.612 0.392 19562 9424 1 19 . 1 1 29 29 ASP H H 29 7.809 7.809 8.295 -0.486 19562 9425 1 19 . 1 1 30 30 GLY N N 30 108.887 108.887 109.643 -0.756 19562 9426 1 19 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.233 -0.744 19562 9427 1 19 . 1 1 30 30 GLY H H 30 8.196 8.196 8.429 -0.233 19562 9428 1 19 . 1 1 31 31 ASN N N 31 119.906 119.906 118.132 1.774 19562 9429 1 19 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.808 -0.325 19562 9430 1 19 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.301 0.900 19562 9431 1 19 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.908 -2.297 19562 9432 1 19 . 1 1 31 31 ASN H H 31 8.643 8.643 8.081 0.562 19562 9433 1 19 . 1 1 32 32 GLU N N 32 119.114 119.114 125.846 -6.732 19562 9434 1 19 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.333 -0.434 19562 9435 1 19 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.240 0.221 19562 9436 1 19 . 1 1 32 32 GLU H H 32 8.525 8.525 8.904 -0.379 19562 9437 1 19 . 1 1 33 33 LEU N N 33 126.117 126.117 123.516 2.601 19562 9438 1 19 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.397 0.212 19562 9439 1 19 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.931 -1.006 19562 9440 1 19 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.707 -0.951 19562 9441 1 19 . 1 1 33 33 LEU H H 33 8.817 8.817 8.266 0.551 19562 9442 1 19 . 1 1 34 34 GLY N N 34 108.970 108.970 107.649 1.321 19562 9443 1 19 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.737 0.252 19562 9444 1 19 . 1 1 34 34 GLY H H 34 8.228 8.228 7.773 0.455 19562 9445 1 19 . 1 1 35 35 SER N N 35 118.388 118.388 118.040 0.348 19562 9446 1 19 . 1 1 35 35 SER HA H 35 5.465 5.465 4.601 0.864 19562 9447 1 19 . 1 1 35 35 SER CA C 35 57.205 57.205 58.590 -1.385 19562 9448 1 19 . 1 1 35 35 SER CB C 35 65.393 65.393 63.649 1.744 19562 9449 1 19 . 1 1 35 35 SER H H 35 8.776 8.776 8.387 0.389 19562 9450 1 19 . 1 1 36 36 GLY N N 36 109.081 109.081 108.810 0.271 19562 9451 1 19 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.737 1.748 19562 9452 1 19 . 1 1 36 36 GLY H H 36 9.013 9.013 7.847 1.166 19562 9453 1 19 . 1 1 37 37 ILE N N 37 121.560 121.560 119.057 2.503 19562 9454 1 19 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.580 0.524 19562 9455 1 19 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.571 -1.449 19562 9456 1 19 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.163 -0.697 19562 9457 1 19 . 1 1 37 37 ILE H H 37 8.779 8.779 8.673 0.106 19562 9458 1 19 . 1 1 38 38 MET N N 38 128.553 128.553 122.627 5.926 19562 9459 1 19 . 1 1 38 38 MET HA H 38 5.735 5.735 4.832 0.903 19562 9460 1 19 . 1 1 38 38 MET CA C 38 53.008 53.008 53.605 -0.597 19562 9461 1 19 . 1 1 38 38 MET CB C 38 36.446 36.446 34.605 1.841 19562 9462 1 19 . 1 1 38 38 MET H H 38 9.827 9.827 9.405 0.422 19562 9463 1 19 . 1 1 39 39 GLU N N 39 129.378 129.378 127.972 1.406 19562 9464 1 19 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.391 1.109 19562 9465 1 19 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.535 -2.079 19562 9466 1 19 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.744 4.792 19562 9467 1 19 . 1 1 39 39 GLU H H 39 10.160 10.160 9.137 1.023 19562 9468 1 19 . 1 1 40 40 LEU N N 40 127.174 127.174 130.047 -2.873 19562 9469 1 19 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.448 0.630 19562 9470 1 19 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.224 -0.784 19562 9471 1 19 . 1 1 40 40 LEU CB C 40 42.013 42.013 42.081 -0.068 19562 9472 1 19 . 1 1 40 40 LEU H H 40 8.334 8.334 8.167 0.167 19562 9473 1 19 . 1 1 41 41 THR N N 41 115.971 115.971 115.788 0.183 19562 9474 1 19 . 1 1 41 41 THR HA H 41 5.012 5.012 4.610 0.402 19562 9475 1 19 . 1 1 41 41 THR CA C 41 59.113 59.113 59.216 -0.103 19562 9476 1 19 . 1 1 41 41 THR CB C 41 69.295 69.295 71.130 -1.835 19562 9477 1 19 . 1 1 41 41 THR H H 41 8.682 8.682 7.944 0.738 19562 9478 1 19 . 1 1 42 42 ASP N N 42 117.467 117.467 117.600 -0.133 19562 9479 1 19 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.209 0.406 19562 9480 1 19 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.254 -0.562 19562 9481 1 19 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.702 -0.911 19562 9482 1 19 . 1 1 42 42 ASP H H 42 8.794 8.794 8.643 0.151 19562 9483 1 19 . 1 1 43 43 THR N N 43 104.010 104.010 104.725 -0.715 19562 9484 1 19 . 1 1 43 43 THR HA H 43 4.412 4.412 3.455 0.957 19562 9485 1 19 . 1 1 43 43 THR CA C 43 61.601 61.601 61.177 0.424 19562 9486 1 19 . 1 1 43 43 THR CB C 43 71.362 71.362 70.520 0.842 19562 9487 1 19 . 1 1 43 43 THR H H 43 7.763 7.763 7.387 0.376 19562 9488 1 19 . 1 1 44 44 GLU N N 44 118.980 118.980 121.763 -2.783 19562 9489 1 19 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.050 -0.880 19562 9490 1 19 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.139 -1.199 19562 9491 1 19 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.307 0.180 19562 9492 1 19 . 1 1 44 44 GLU H H 44 7.263 7.263 7.621 -0.358 19562 9493 1 19 . 1 1 45 45 LEU N N 45 122.138 122.138 128.300 -6.162 19562 9494 1 19 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.831 0.141 19562 9495 1 19 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.655 -0.934 19562 9496 1 19 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.555 1.683 19562 9497 1 19 . 1 1 45 45 LEU H H 45 8.314 8.314 9.404 -1.090 19562 9498 1 19 . 1 1 46 46 ILE N N 46 124.244 124.244 126.631 -2.387 19562 9499 1 19 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.633 0.091 19562 9500 1 19 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.561 1.749 19562 9501 1 19 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.475 4.015 19562 9502 1 19 . 1 1 46 46 ILE H H 46 9.154 9.154 9.178 -0.024 19562 9503 1 19 . 1 1 47 47 LEU N N 47 127.510 127.510 131.389 -3.879 19562 9504 1 19 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.937 0.329 19562 9505 1 19 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.438 -1.732 19562 9506 1 19 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.104 2.632 19562 9507 1 19 . 1 1 47 47 LEU H H 47 9.378 9.378 8.306 1.072 19562 9508 1 19 . 1 1 48 48 TYR N N 48 128.014 128.014 127.209 0.805 19562 9509 1 19 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.751 0.283 19562 9510 1 19 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.309 0.128 19562 9511 1 19 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.992 1.799 19562 9512 1 19 . 1 1 48 48 TYR H H 48 9.724 9.724 8.905 0.819 19562 9513 1 19 . 1 1 49 49 THR N N 49 115.097 115.097 117.918 -2.821 19562 9514 1 19 . 1 1 49 49 THR HA H 49 4.813 4.813 4.506 0.307 19562 9515 1 19 . 1 1 49 49 THR CA C 49 60.349 60.349 60.578 -0.230 19562 9516 1 19 . 1 1 49 49 THR CB C 49 70.967 70.967 70.325 0.643 19562 9517 1 19 . 1 1 49 49 THR H H 49 8.659 8.659 7.917 0.742 19562 9518 1 19 . 1 1 50 50 ARG N N 50 120.411 120.411 119.628 0.783 19562 9519 1 19 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.276 -0.077 19562 9520 1 19 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.670 -1.223 19562 9521 1 19 . 1 1 50 50 ARG CB C 50 29.774 29.774 29.930 -0.156 19562 9522 1 19 . 1 1 50 50 ARG H H 50 8.649 8.649 8.831 -0.182 19562 9523 1 19 . 1 1 51 51 LYS N N 51 117.579 117.579 118.193 -0.614 19562 9524 1 19 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.490 -0.327 19562 9525 1 19 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.061 0.617 19562 9526 1 19 . 1 1 51 51 LYS CB C 51 31.357 31.357 33.069 -1.712 19562 9527 1 19 . 1 1 51 51 LYS H H 51 8.406 8.406 8.042 0.364 19562 9528 1 19 . 1 1 52 52 ARG N N 52 116.662 116.662 121.375 -4.713 19562 9529 1 19 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.320 0.122 19562 9530 1 19 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.387 -1.082 19562 9531 1 19 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.098 0.652 19562 9532 1 19 . 1 1 52 52 ARG H H 52 7.973 7.973 7.925 0.048 19562 9533 1 19 . 1 1 53 53 ASP N N 53 119.760 119.760 116.309 3.451 19562 9534 1 19 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.379 0.381 19562 9535 1 19 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.863 -0.972 19562 9536 1 19 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.201 -0.194 19562 9537 1 19 . 1 1 53 53 ASP H H 53 8.066 8.066 7.869 0.197 19562 9538 1 19 . 1 1 54 54 SER N N 54 116.756 116.756 116.766 -0.010 19562 9539 1 19 . 1 1 54 54 SER HA H 54 4.891 4.891 4.238 0.653 19562 9540 1 19 . 1 1 54 54 SER CA C 54 57.072 57.072 59.240 -2.168 19562 9541 1 19 . 1 1 54 54 SER CB C 54 64.473 64.473 61.474 2.999 19562 9542 1 19 . 1 1 54 54 SER H H 54 8.477 8.477 8.343 0.134 19562 9543 1 19 . 1 1 55 55 VAL N N 55 122.716 122.716 125.344 -2.628 19562 9544 1 19 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.924 0.024 19562 9545 1 19 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.415 -2.959 19562 9546 1 19 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.946 0.592 19562 9547 1 19 . 1 1 55 55 VAL H H 55 8.334 8.334 9.169 -0.836 19562 9548 1 19 . 1 1 56 56 LYS N N 56 121.568 121.568 120.726 0.842 19562 9549 1 19 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.752 0.519 19562 9550 1 19 . 1 1 56 56 LYS CA C 56 53.691 53.691 55.330 -1.639 19562 9551 1 19 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.987 0.816 19562 9552 1 19 . 1 1 56 56 LYS H H 56 7.501 7.501 7.861 -0.360 19562 9553 1 19 . 1 1 57 57 TRP N N 57 123.638 123.638 125.235 -1.597 19562 9554 1 19 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.870 -0.205 19562 9555 1 19 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.163 1.599 19562 9556 1 19 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.176 1.374 19562 9557 1 19 . 1 1 57 57 TRP H H 57 9.453 9.453 8.955 0.498 19562 9558 1 19 . 1 1 58 58 HIS N N 58 125.312 125.312 125.734 -0.422 19562 9559 1 19 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.065 -0.526 19562 9560 1 19 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.604 -0.420 19562 9561 1 19 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.585 -1.260 19562 9562 1 19 . 1 1 58 58 HIS H H 58 9.024 9.024 8.824 0.200 19562 9563 1 19 . 1 1 59 59 TYR N N 59 126.691 126.691 123.229 3.462 19562 9564 1 19 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.245 0.107 19562 9565 1 19 . 1 1 59 59 TYR CA C 59 59.699 59.699 60.002 -0.302 19562 9566 1 19 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.242 -1.715 19562 9567 1 19 . 1 1 59 59 TYR H H 59 8.079 8.079 8.635 -0.556 19562 9568 1 19 . 1 1 60 60 LEU N N 60 114.859 114.859 117.455 -2.596 19562 9569 1 19 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.364 -0.127 19562 9570 1 19 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.103 0.996 19562 9571 1 19 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.325 0.229 19562 9572 1 19 . 1 1 60 60 LEU H H 60 9.307 9.307 8.063 1.244 19562 9573 1 19 . 1 1 61 61 CYS N N 61 114.415 114.415 116.318 -1.903 19562 9574 1 19 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.600 0.646 19562 9575 1 19 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.094 -0.661 19562 9576 1 19 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.904 -2.838 19562 9577 1 19 . 1 1 61 61 CYS H H 61 8.421 8.421 7.803 0.618 19562 9578 1 19 . 1 1 62 62 LEU N N 62 122.413 122.413 121.441 0.972 19562 9579 1 19 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.100 0.647 19562 9580 1 19 . 1 1 62 62 LEU CA C 62 54.438 54.438 57.750 -3.312 19562 9581 1 19 . 1 1 62 62 LEU CB C 62 41.039 41.039 41.670 -0.631 19562 9582 1 19 . 1 1 62 62 LEU H H 62 7.702 7.702 7.459 0.243 19562 9583 1 19 . 1 1 63 63 ARG N N 63 122.839 122.839 121.525 1.314 19562 9584 1 19 . 1 1 63 63 ARG H H 63 9.301 9.301 9.074 0.227 19562 9585 1 19 . 1 1 64 64 ARG N N 64 111.512 111.512 117.075 -5.563 19562 9586 1 19 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.691 0.795 19562 9587 1 19 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.904 -1.259 19562 9588 1 19 . 1 1 64 64 ARG CB C 64 35.005 35.005 32.889 2.115 19562 9589 1 19 . 1 1 64 64 ARG H H 64 7.457 7.457 7.676 -0.219 19562 9590 1 19 . 1 1 65 65 TYR N N 65 115.127 115.127 114.627 0.500 19562 9591 1 19 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.023 0.517 19562 9592 1 19 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.028 -0.839 19562 9593 1 19 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.365 -0.852 19562 9594 1 19 . 1 1 65 65 TYR H H 65 8.340 8.340 8.378 -0.038 19562 9595 1 19 . 1 1 66 66 GLY N N 66 104.938 104.938 108.580 -3.642 19562 9596 1 19 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.534 2.366 19562 9597 1 19 . 1 1 66 66 GLY H H 66 8.950 8.950 8.679 0.271 19562 9598 1 19 . 1 1 67 67 TYR N N 67 117.143 117.143 120.264 -3.121 19562 9599 1 19 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.527 0.035 19562 9600 1 19 . 1 1 67 67 TYR CA C 67 55.485 55.485 57.117 -1.632 19562 9601 1 19 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.120 2.227 19562 9602 1 19 . 1 1 67 67 TYR H H 67 8.022 8.022 7.994 0.028 19562 9603 1 19 . 1 1 68 68 ASP N N 68 119.290 119.290 125.506 -6.216 19562 9604 1 19 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.230 -0.400 19562 9605 1 19 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.812 3.630 19562 9606 1 19 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.190 2.826 19562 9607 1 19 . 1 1 68 68 ASP H H 68 8.656 8.656 9.172 -0.516 19562 9608 1 19 . 1 1 69 69 SER N N 69 119.561 119.561 117.705 1.856 19562 9609 1 19 . 1 1 69 69 SER HA H 69 4.040 4.040 4.184 -0.144 19562 9610 1 19 . 1 1 69 69 SER CB C 69 59.170 59.170 61.390 -2.220 19562 9611 1 19 . 1 1 69 69 SER H H 69 8.957 8.957 8.507 0.450 19562 9612 1 19 . 1 1 70 70 ASN N N 70 119.438 119.438 116.125 3.313 19562 9613 1 19 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.483 0.649 19562 9614 1 19 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.421 -2.433 19562 9615 1 19 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.273 0.005 19562 9616 1 19 . 1 1 70 70 ASN H H 70 8.502 8.502 8.898 -0.396 19562 9617 1 19 . 1 1 71 71 LEU N N 71 120.481 120.481 119.036 1.445 19562 9618 1 19 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.915 0.650 19562 9619 1 19 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.040 -0.589 19562 9620 1 19 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.437 1.299 19562 9621 1 19 . 1 1 71 71 LEU H H 71 8.807 8.807 8.516 0.291 19562 9622 1 19 . 1 1 72 72 PHE N N 72 120.815 120.815 126.939 -6.124 19562 9623 1 19 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.435 0.092 19562 9624 1 19 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.341 -0.157 19562 9625 1 19 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.522 1.341 19562 9626 1 19 . 1 1 72 72 PHE H H 72 9.439 9.439 9.660 -0.221 19562 9627 1 19 . 1 1 73 73 SER N N 73 120.270 120.270 118.950 1.320 19562 9628 1 19 . 1 1 73 73 SER HA H 73 5.387 5.387 4.167 1.220 19562 9629 1 19 . 1 1 73 73 SER CA C 73 54.994 54.994 55.103 -0.109 19562 9630 1 19 . 1 1 73 73 SER CB C 73 66.409 66.409 65.388 1.021 19562 9631 1 19 . 1 1 73 73 SER H H 73 8.597 8.597 8.148 0.449 19562 9632 1 19 . 1 1 74 74 PHE N N 74 117.157 117.157 116.373 0.784 19562 9633 1 19 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.200 0.061 19562 9634 1 19 . 1 1 74 74 PHE CA C 74 55.699 55.699 56.015 -0.316 19562 9635 1 19 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.165 0.738 19562 9636 1 19 . 1 1 74 74 PHE H H 74 8.050 8.050 7.704 0.346 19562 9637 1 19 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.841 0.895 19562 9638 1 19 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.694 -2.985 19562 9639 1 19 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.413 0.407 19562 9640 1 19 . 1 1 76 76 SER N N 76 123.656 123.656 123.526 0.130 19562 9641 1 19 . 1 1 76 76 SER HA H 76 5.243 5.243 5.218 0.025 19562 9642 1 19 . 1 1 76 76 SER CA C 76 56.906 56.906 57.142 -0.237 19562 9643 1 19 . 1 1 76 76 SER CB C 76 67.886 67.886 64.065 3.821 19562 9644 1 19 . 1 1 76 76 SER H H 76 9.930 9.930 8.605 1.325 19562 9645 1 19 . 1 1 77 77 GLY N N 77 105.906 105.906 114.144 -8.238 19562 9646 1 19 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.876 -0.876 19562 9647 1 19 . 1 1 77 77 GLY H H 77 8.939 8.939 9.197 -0.258 19562 9648 1 19 . 1 1 78 78 ARG N N 78 114.676 114.676 119.919 -5.243 19562 9649 1 19 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.580 -0.563 19562 9650 1 19 . 1 1 78 78 ARG H H 78 9.680 9.680 7.529 2.151 19562 9651 1 19 . 1 1 79 79 ARG N N 79 121.801 121.801 120.533 1.268 19562 9652 1 19 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.306 0.267 19562 9653 1 19 . 1 1 79 79 ARG CA C 79 54.928 54.928 57.447 -2.519 19562 9654 1 19 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.693 -3.623 19562 9655 1 19 . 1 1 79 79 ARG H H 79 9.389 9.389 8.594 0.795 19562 9656 1 19 . 1 1 80 80 CYS N N 80 113.901 113.901 117.431 -3.530 19562 9657 1 19 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.633 0.255 19562 9658 1 19 . 1 1 80 80 CYS CA C 80 55.965 55.965 56.788 -0.823 19562 9659 1 19 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.733 -1.135 19562 9660 1 19 . 1 1 80 80 CYS H H 80 7.994 7.994 8.248 -0.254 19562 9661 1 19 . 1 1 81 81 GLN N N 81 122.839 122.839 120.922 1.917 19562 9662 1 19 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.006 0.090 19562 9663 1 19 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.493 0.446 19562 9664 1 19 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.055 -0.716 19562 9665 1 19 . 1 1 81 81 GLN H H 81 8.950 8.950 8.675 0.275 19562 9666 1 19 . 1 1 82 82 THR N N 82 107.297 107.297 109.866 -2.569 19562 9667 1 19 . 1 1 82 82 THR HA H 82 4.207 4.207 4.341 -0.134 19562 9668 1 19 . 1 1 82 82 THR CA C 82 63.147 63.147 61.662 1.485 19562 9669 1 19 . 1 1 82 82 THR CB C 82 70.591 70.591 68.733 1.858 19562 9670 1 19 . 1 1 82 82 THR H H 82 8.345 8.345 8.060 0.285 19562 9671 1 19 . 1 1 83 83 GLY N N 83 112.681 112.681 109.560 3.121 19562 9672 1 19 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.972 -1.978 19562 9673 1 19 . 1 1 83 83 GLY H H 83 7.820 7.820 8.244 -0.424 19562 9674 1 19 . 1 1 84 84 GLN N N 84 119.972 119.972 115.261 4.711 19562 9675 1 19 . 1 1 84 84 GLN H H 84 8.622 8.622 8.795 -0.173 19562 9676 1 19 . 1 1 85 85 GLY N N 85 111.040 111.040 103.810 7.230 19562 9677 1 19 . 1 1 85 85 GLY H H 85 8.056 8.056 7.861 0.195 19562 9678 1 19 . 1 1 86 86 ILE N N 86 121.645 121.645 123.914 -2.269 19562 9679 1 19 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.268 0.018 19562 9680 1 19 . 1 1 86 86 ILE CA C 86 60.162 60.162 62.321 -2.159 19562 9681 1 19 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.618 1.924 19562 9682 1 19 . 1 1 86 86 ILE H H 86 8.021 8.021 8.210 -0.189 19562 9683 1 19 . 1 1 87 87 PHE N N 87 123.890 123.890 129.854 -5.964 19562 9684 1 19 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.511 0.115 19562 9685 1 19 . 1 1 87 87 PHE CA C 87 54.944 54.944 55.052 -0.108 19562 9686 1 19 . 1 1 87 87 PHE CB C 87 42.003 42.003 40.904 1.099 19562 9687 1 19 . 1 1 87 87 PHE H H 87 8.476 8.476 8.691 -0.215 19562 9688 1 19 . 1 1 88 88 ALA N N 88 124.824 124.824 128.881 -4.057 19562 9689 1 19 . 1 1 88 88 ALA HA H 88 5.281 5.281 3.916 1.365 19562 9690 1 19 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.604 0.600 19562 9691 1 19 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.109 1.226 19562 9692 1 19 . 1 1 88 88 ALA H H 88 9.149 9.149 7.986 1.163 19562 9693 1 19 . 1 1 89 89 PHE N N 89 118.047 118.047 118.039 0.008 19562 9694 1 19 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.919 0.526 19562 9695 1 19 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.970 -0.265 19562 9696 1 19 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.927 0.569 19562 9697 1 19 . 1 1 89 89 PHE H H 89 9.423 9.423 8.914 0.509 19562 9698 1 19 . 1 1 90 90 LYS N N 90 122.937 122.937 124.710 -1.773 19562 9699 1 19 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.571 0.934 19562 9700 1 19 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.157 -1.329 19562 9701 1 19 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.781 2.232 19562 9702 1 19 . 1 1 90 90 LYS H H 90 9.943 9.943 9.028 0.915 19562 9703 1 19 . 1 1 91 91 CYS N N 91 126.115 126.115 123.569 2.546 19562 9704 1 19 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.636 0.117 19562 9705 1 19 . 1 1 91 91 CYS CA C 91 58.175 58.175 56.912 1.263 19562 9706 1 19 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.641 -0.832 19562 9707 1 19 . 1 1 91 91 CYS H H 91 9.689 9.689 8.337 1.352 19562 9708 1 19 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.184 0.247 19562 9709 1 19 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.173 0.537 19562 9710 1 19 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.562 -0.699 19562 9711 1 19 . 1 1 93 93 ARG N N 93 117.248 117.248 118.142 -0.894 19562 9712 1 19 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.179 0.833 19562 9713 1 19 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.401 0.556 19562 9714 1 19 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.790 3.013 19562 9715 1 19 . 1 1 93 93 ARG H H 93 7.964 7.964 7.650 0.314 19562 9716 1 19 . 1 1 94 94 ALA N N 94 122.369 122.369 123.826 -1.457 19562 9717 1 19 . 1 1 94 94 ALA HA H 94 3.523 3.523 4.000 -0.477 19562 9718 1 19 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.779 -0.808 19562 9719 1 19 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.892 -0.796 19562 9720 1 19 . 1 1 94 94 ALA H H 94 7.310 7.310 8.138 -0.828 19562 9721 1 19 . 1 1 95 95 GLU N N 95 116.205 116.205 117.897 -1.692 19562 9722 1 19 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.662 -0.182 19562 9723 1 19 . 1 1 95 95 GLU CA C 95 58.696 58.696 58.971 -0.275 19562 9724 1 19 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.830 1.231 19562 9725 1 19 . 1 1 95 95 GLU H H 95 8.376 8.376 8.667 -0.291 19562 9726 1 19 . 1 1 96 96 GLU N N 96 119.188 119.188 120.331 -1.143 19562 9727 1 19 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.062 -0.095 19562 9728 1 19 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.244 0.656 19562 9729 1 19 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.133 0.897 19562 9730 1 19 . 1 1 96 96 GLU H H 96 7.418 7.418 7.843 -0.425 19562 9731 1 19 . 1 1 97 97 LEU N N 97 123.654 123.654 120.847 2.807 19562 9732 1 19 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.131 -1.117 19562 9733 1 19 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.448 0.271 19562 9734 1 19 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.879 -0.866 19562 9735 1 19 . 1 1 97 97 LEU H H 97 7.847 7.847 8.591 -0.744 19562 9736 1 19 . 1 1 98 98 PHE N N 98 118.746 118.746 119.382 -0.636 19562 9737 1 19 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.316 -0.523 19562 9738 1 19 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.600 0.096 19562 9739 1 19 . 1 1 98 98 PHE H H 98 8.076 8.076 9.132 -1.056 19562 9740 1 19 . 1 1 99 99 ASN N N 99 117.017 117.017 118.807 -1.790 19562 9741 1 19 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.250 -0.030 19562 9742 1 19 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.677 -0.211 19562 9743 1 19 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.161 -0.880 19562 9744 1 19 . 1 1 99 99 ASN H H 99 8.622 8.622 7.973 0.649 19562 9745 1 19 . 1 1 100 100 MET N N 100 121.914 121.914 119.911 2.003 19562 9746 1 19 . 1 1 100 100 MET HA H 100 4.061 4.061 4.008 0.053 19562 9747 1 19 . 1 1 100 100 MET CA C 100 58.699 58.699 59.230 -0.531 19562 9748 1 19 . 1 1 100 100 MET CB C 100 32.048 32.048 32.590 -0.541 19562 9749 1 19 . 1 1 100 100 MET H H 100 8.316 8.316 8.409 -0.093 19562 9750 1 19 . 1 1 101 101 LEU N N 101 121.094 121.094 120.309 0.785 19562 9751 1 19 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.069 -0.489 19562 9752 1 19 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.108 -0.682 19562 9753 1 19 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.400 -0.300 19562 9754 1 19 . 1 1 101 101 LEU H H 101 8.047 8.047 8.701 -0.654 19562 9755 1 19 . 1 1 102 102 GLN N N 102 116.417 116.417 117.191 -0.774 19562 9756 1 19 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.088 -0.174 19562 9757 1 19 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.965 -0.520 19562 9758 1 19 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.278 0.409 19562 9759 1 19 . 1 1 102 102 GLN H H 102 8.195 8.195 8.426 -0.231 19562 9760 1 19 . 1 1 103 103 GLU N N 103 119.096 119.096 120.315 -1.219 19562 9761 1 19 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.049 -0.141 19562 9762 1 19 . 1 1 103 103 GLU CA C 103 58.917 58.917 59.013 -0.096 19562 9763 1 19 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.504 -0.443 19562 9764 1 19 . 1 1 103 103 GLU H H 103 7.635 7.635 8.338 -0.703 19562 9765 1 19 . 1 1 104 104 ILE N N 104 120.803 120.803 121.457 -0.654 19562 9766 1 19 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.608 -0.007 19562 9767 1 19 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.558 -0.848 19562 9768 1 19 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.828 0.222 19562 9769 1 19 . 1 1 104 104 ILE H H 104 7.965 7.965 8.743 -0.778 19562 9770 1 19 . 1 1 105 105 MET N N 105 117.016 117.016 118.491 -1.475 19562 9771 1 19 . 1 1 105 105 MET HA H 105 4.020 4.020 4.148 -0.128 19562 9772 1 19 . 1 1 105 105 MET CA C 105 57.384 57.384 59.676 -2.292 19562 9773 1 19 . 1 1 105 105 MET H H 105 8.145 8.145 8.463 -0.318 19562 9774 1 19 . 1 1 106 106 GLN N N 106 116.150 116.150 117.204 -1.054 19562 9775 1 19 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.126 0.077 19562 9776 1 19 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.384 -1.743 19562 9777 1 19 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.638 -0.525 19562 9778 1 19 . 1 1 106 106 GLN H H 106 7.930 7.930 8.097 -0.167 19562 9779 1 19 . 1 1 107 107 ASN N N 107 117.360 117.360 114.424 2.936 19562 9780 1 19 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.788 -0.068 19562 9781 1 19 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.420 -0.923 19562 9782 1 19 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.949 -1.390 19562 9783 1 19 . 1 1 107 107 ASN H H 107 7.872 7.872 8.393 -0.521 19562 9784 1 19 . 1 1 108 108 ASN N N 108 118.611 118.611 117.586 1.025 19562 9785 1 19 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.869 -0.109 19562 9786 1 19 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.306 -1.606 19562 9787 1 19 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.297 -1.779 19562 9788 1 19 . 1 1 108 108 ASN H H 108 8.144 8.144 8.403 -0.259 19562 9789 1 19 . 1 1 109 109 SER N N 109 115.704 115.704 114.017 1.687 19562 9790 1 19 . 1 1 109 109 SER HA H 109 4.519 4.519 4.148 0.371 19562 9791 1 19 . 1 1 109 109 SER CA C 109 57.700 57.700 60.578 -2.878 19562 9792 1 19 . 1 1 109 109 SER CB C 109 63.150 63.150 62.849 0.301 19562 9793 1 19 . 1 1 109 109 SER H H 109 8.215 8.215 7.894 0.321 19562 9794 1 19 . 1 1 110 110 ILE N N 110 121.954 121.954 120.698 1.256 19562 9795 1 19 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.672 0.540 19562 9796 1 19 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.472 -1.586 19562 9797 1 19 . 1 1 110 110 ILE CB C 110 38.235 38.235 37.066 1.169 19562 9798 1 19 . 1 1 110 110 ILE H H 110 8.061 8.061 7.824 0.237 19562 9799 1 19 . 1 1 111 111 ASN N N 111 122.386 122.386 123.915 -1.529 19562 9800 1 19 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.996 -0.214 19562 9801 1 19 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.750 -0.016 19562 9802 1 19 . 1 1 111 111 ASN CB C 111 38.800 38.800 41.384 -2.584 19562 9803 1 19 . 1 1 111 111 ASN H H 111 8.376 8.376 8.438 -0.062 19562 9804 1 19 . 1 1 112 112 VAL N N 112 120.830 120.830 125.296 -4.466 19562 9805 1 19 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.220 -0.035 19562 9806 1 19 . 1 1 112 112 VAL CA C 112 61.660 61.660 61.879 -0.219 19562 9807 1 19 . 1 1 112 112 VAL CB C 112 32.330 32.330 30.924 1.406 19562 9808 1 19 . 1 1 112 112 VAL H H 112 8.067 8.067 8.604 -0.537 19562 9809 1 19 . 1 1 113 113 VAL N N 113 124.249 124.249 122.446 1.803 19562 9810 1 19 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.651 0.464 19562 9811 1 19 . 1 1 113 113 VAL CA C 113 61.450 61.450 63.428 -1.978 19562 9812 1 19 . 1 1 113 113 VAL CB C 113 32.345 32.345 32.701 -0.356 19562 9813 1 19 . 1 1 113 113 VAL H H 113 8.167 8.167 7.550 0.617 19562 9814 1 19 . 1 1 114 114 GLU N N 114 125.288 125.288 117.720 7.568 19562 9815 1 19 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.041 0.268 19562 9816 1 19 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.209 -1.519 19562 9817 1 19 . 1 1 114 114 GLU CB C 114 30.050 30.050 28.799 1.252 19562 9818 1 19 . 1 1 114 114 GLU H H 114 8.405 8.405 8.304 0.101 19562 9819 1 19 . 1 1 115 115 GLU N N 115 123.990 123.990 121.323 2.667 19562 9820 1 19 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.475 0.088 19562 9821 1 19 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.457 -0.732 19562 9822 1 19 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.289 -0.854 19562 9823 1 19 . 1 1 115 115 GLU H H 115 8.392 8.392 8.264 0.128 19562 9824 1 19 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.418 0.012 19562 9825 1 19 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.351 0.319 19562 9826 1 19 . 1 1 116 116 PRO CB C 116 31.655 31.655 29.803 1.852 19562 9827 1 19 . 1 1 117 117 VAL N N 117 121.339 121.339 116.249 5.090 19562 9828 1 19 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.605 0.471 19562 9829 1 19 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.277 -0.287 19562 9830 1 19 . 1 1 117 117 VAL CB C 117 31.820 31.820 30.755 1.065 19562 9831 1 19 . 1 1 117 117 VAL H H 117 8.266 8.266 8.406 -0.140 19562 9832 1 19 . 1 1 118 118 VAL N N 118 124.762 124.762 128.096 -3.334 19562 9833 1 19 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.771 0.345 19562 9834 1 19 . 1 1 118 118 VAL H H 118 8.202 8.202 8.680 -0.478 19562 9835 1 19 . 1 1 119 119 GLU N N 119 125.304 125.304 126.483 -1.179 19562 9836 1 19 . 1 1 119 119 GLU H H 119 8.479 8.479 8.982 -0.503 19562 9837 1 19 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.019 0.376 19562 9838 1 19 . 1 1 120 120 ARG CA C 120 55.350 55.350 58.117 -2.767 19562 9839 1 19 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.243 1.322 19562 9840 1 19 . 1 1 121 121 ASN N N 121 120.465 120.465 119.730 0.735 19562 9841 1 19 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.420 0.334 19562 9842 1 19 . 1 1 121 121 ASN H H 121 8.536 8.536 8.504 0.032 19562 9843 1 20 . 1 1 9 9 HIS HA H 9 4.619 4.619 4.913 -0.294 19562 9844 1 20 . 1 1 9 9 HIS CA C 9 56.148 56.148 55.883 0.265 19562 9845 1 20 . 1 1 9 9 HIS CB C 9 29.609 29.609 30.663 -1.054 19562 9846 1 20 . 1 1 10 10 MET N N 10 120.964 120.964 120.338 0.626 19562 9847 1 20 . 1 1 10 10 MET HA H 10 4.395 4.395 4.359 0.036 19562 9848 1 20 . 1 1 10 10 MET CA C 10 55.153 55.153 57.400 -2.247 19562 9849 1 20 . 1 1 10 10 MET CB C 10 32.293 32.293 33.324 -1.031 19562 9850 1 20 . 1 1 10 10 MET H H 10 8.274 8.274 8.154 0.120 19562 9851 1 20 . 1 1 11 11 ASP N N 11 120.989 120.989 111.856 9.133 19562 9852 1 20 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.816 -0.070 19562 9853 1 20 . 1 1 11 11 ASP CA C 11 54.200 54.200 53.772 0.428 19562 9854 1 20 . 1 1 11 11 ASP CB C 11 40.200 40.200 40.905 -0.705 19562 9855 1 20 . 1 1 11 11 ASP H H 11 8.281 8.281 8.111 0.170 19562 9856 1 20 . 1 1 12 12 THR N N 12 113.244 113.244 115.067 -1.823 19562 9857 1 20 . 1 1 12 12 THR HA H 12 4.312 4.312 4.351 -0.039 19562 9858 1 20 . 1 1 12 12 THR CA C 12 61.218 61.218 62.476 -1.258 19562 9859 1 20 . 1 1 12 12 THR CB C 12 69.316 69.316 67.964 1.352 19562 9860 1 20 . 1 1 12 12 THR H H 12 7.979 7.979 7.902 0.077 19562 9861 1 20 . 1 1 13 13 VAL N N 13 123.579 123.579 125.099 -1.520 19562 9862 1 20 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.504 -0.100 19562 9863 1 20 . 1 1 13 13 VAL CA C 13 59.234 59.234 58.650 0.584 19562 9864 1 20 . 1 1 13 13 VAL CB C 13 32.299 32.299 35.010 -2.711 19562 9865 1 20 . 1 1 13 13 VAL H H 13 8.021 8.021 7.718 0.303 19562 9866 1 20 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.526 -0.099 19562 9867 1 20 . 1 1 14 14 PRO CA C 14 62.900 62.900 62.369 0.531 19562 9868 1 20 . 1 1 14 14 PRO CB C 14 31.790 31.790 30.471 1.319 19562 9869 1 20 . 1 1 15 15 ASP N N 15 120.556 120.556 120.389 0.167 19562 9870 1 20 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.266 0.186 19562 9871 1 20 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.704 -1.283 19562 9872 1 20 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.180 0.378 19562 9873 1 20 . 1 1 15 15 ASP H H 15 8.471 8.471 8.314 0.157 19562 9874 1 20 . 1 1 16 16 ASN N N 16 116.991 116.991 114.932 2.059 19562 9875 1 20 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.297 0.307 19562 9876 1 20 . 1 1 16 16 ASN CA C 16 52.282 52.282 54.865 -2.583 19562 9877 1 20 . 1 1 16 16 ASN CB C 16 37.731 37.731 38.889 -1.158 19562 9878 1 20 . 1 1 16 16 ASN H H 16 8.111 8.111 8.140 -0.029 19562 9879 1 20 . 1 1 17 17 HIS N N 17 119.335 119.335 114.133 5.202 19562 9880 1 20 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.750 -0.338 19562 9881 1 20 . 1 1 17 17 HIS CA C 17 56.436 56.436 55.057 1.379 19562 9882 1 20 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.411 -0.402 19562 9883 1 20 . 1 1 17 17 HIS H H 17 8.014 8.014 7.861 0.153 19562 9884 1 20 . 1 1 18 18 ARG N N 18 122.269 122.269 118.986 3.283 19562 9885 1 20 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.959 0.024 19562 9886 1 20 . 1 1 18 18 ARG CA C 18 57.419 57.419 59.106 -1.687 19562 9887 1 20 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.339 -0.558 19562 9888 1 20 . 1 1 18 18 ARG H H 18 8.209 8.209 8.678 -0.469 19562 9889 1 20 . 1 1 19 19 ASN N N 19 114.495 114.495 114.393 0.102 19562 9890 1 20 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.219 0.496 19562 9891 1 20 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.684 -1.961 19562 9892 1 20 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.749 -0.715 19562 9893 1 20 . 1 1 19 19 ASN H H 19 8.565 8.565 7.984 0.581 19562 9894 1 20 . 1 1 20 20 LYS N N 20 117.932 117.932 120.436 -2.504 19562 9895 1 20 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.091 1.166 19562 9896 1 20 . 1 1 20 20 LYS CA C 20 54.736 54.736 54.851 -0.115 19562 9897 1 20 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.185 3.830 19562 9898 1 20 . 1 1 20 20 LYS H H 20 7.040 7.040 6.371 0.669 19562 9899 1 20 . 1 1 21 21 PHE N N 21 120.620 120.620 127.437 -6.817 19562 9900 1 20 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.626 -0.117 19562 9901 1 20 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.638 1.283 19562 9902 1 20 . 1 1 21 21 PHE CB C 21 42.198 42.198 42.024 0.174 19562 9903 1 20 . 1 1 21 21 PHE H H 21 9.389 9.389 8.049 1.340 19562 9904 1 20 . 1 1 22 22 LYS N N 22 125.637 125.637 126.386 -0.749 19562 9905 1 20 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.493 0.244 19562 9906 1 20 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.663 1.309 19562 9907 1 20 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.587 -0.281 19562 9908 1 20 . 1 1 22 22 LYS H H 22 9.258 9.258 8.926 0.332 19562 9909 1 20 . 1 1 23 23 VAL N N 23 118.282 118.282 118.954 -0.672 19562 9910 1 20 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.472 1.155 19562 9911 1 20 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.328 -0.943 19562 9912 1 20 . 1 1 23 23 VAL CB C 23 36.516 36.516 33.877 2.639 19562 9913 1 20 . 1 1 23 23 VAL H H 23 8.672 8.672 8.259 0.413 19562 9914 1 20 . 1 1 24 24 ILE N N 24 120.397 120.397 119.111 1.286 19562 9915 1 20 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.497 0.316 19562 9916 1 20 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.963 0.198 19562 9917 1 20 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.835 1.233 19562 9918 1 20 . 1 1 24 24 ILE H H 24 8.824 8.824 8.241 0.583 19562 9919 1 20 . 1 1 25 25 ASN N N 25 127.655 127.655 126.959 0.696 19562 9920 1 20 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.872 -0.371 19562 9921 1 20 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.598 0.603 19562 9922 1 20 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.834 0.686 19562 9923 1 20 . 1 1 25 25 ASN H H 25 9.232 9.232 8.522 0.710 19562 9924 1 20 . 1 1 26 26 VAL N N 26 116.322 116.322 118.275 -1.953 19562 9925 1 20 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.300 0.242 19562 9926 1 20 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.533 -1.761 19562 9927 1 20 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.448 0.822 19562 9928 1 20 . 1 1 26 26 VAL H H 26 7.680 7.680 7.575 0.105 19562 9929 1 20 . 1 1 27 27 ASP N N 27 117.000 117.000 125.266 -8.266 19562 9930 1 20 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.871 -0.778 19562 9931 1 20 . 1 1 27 27 ASP CA C 27 50.962 50.962 52.790 -1.828 19562 9932 1 20 . 1 1 27 27 ASP H H 27 7.500 7.500 8.050 -0.550 19562 9933 1 20 . 1 1 28 28 ASP N N 28 112.540 112.540 125.203 -12.663 19562 9934 1 20 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.288 -0.117 19562 9935 1 20 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.398 -0.099 19562 9936 1 20 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.595 -0.511 19562 9937 1 20 . 1 1 28 28 ASP H H 28 7.922 7.922 8.966 -1.044 19562 9938 1 20 . 1 1 29 29 ASP N N 29 115.319 115.319 116.609 -1.290 19562 9939 1 20 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.656 0.089 19562 9940 1 20 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.782 -0.331 19562 9941 1 20 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.401 0.603 19562 9942 1 20 . 1 1 29 29 ASP H H 29 7.809 7.809 7.952 -0.143 19562 9943 1 20 . 1 1 30 30 GLY N N 30 108.887 108.887 108.661 0.226 19562 9944 1 20 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.342 -0.853 19562 9945 1 20 . 1 1 30 30 GLY H H 30 8.196 8.196 8.256 -0.060 19562 9946 1 20 . 1 1 31 31 ASN N N 31 119.906 119.906 118.706 1.200 19562 9947 1 20 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.766 -0.283 19562 9948 1 20 . 1 1 31 31 ASN CA C 31 53.201 53.201 51.984 1.217 19562 9949 1 20 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.394 -1.783 19562 9950 1 20 . 1 1 31 31 ASN H H 31 8.643 8.643 7.986 0.657 19562 9951 1 20 . 1 1 32 32 GLU N N 32 119.114 119.114 125.569 -6.455 19562 9952 1 20 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.207 -0.308 19562 9953 1 20 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.395 0.066 19562 9954 1 20 . 1 1 32 32 GLU H H 32 8.525 8.525 8.833 -0.308 19562 9955 1 20 . 1 1 33 33 LEU N N 33 126.117 126.117 122.823 3.294 19562 9956 1 20 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.338 0.271 19562 9957 1 20 . 1 1 33 33 LEU CA C 33 52.925 52.925 53.761 -0.836 19562 9958 1 20 . 1 1 33 33 LEU CB C 33 40.756 40.756 40.593 0.163 19562 9959 1 20 . 1 1 33 33 LEU H H 33 8.817 8.817 8.098 0.719 19562 9960 1 20 . 1 1 34 34 GLY N N 34 108.970 108.970 107.176 1.794 19562 9961 1 20 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.260 0.729 19562 9962 1 20 . 1 1 34 34 GLY H H 34 8.228 8.228 7.300 0.928 19562 9963 1 20 . 1 1 35 35 SER N N 35 118.388 118.388 117.881 0.507 19562 9964 1 20 . 1 1 35 35 SER HA H 35 5.465 5.465 4.668 0.797 19562 9965 1 20 . 1 1 35 35 SER CA C 35 57.205 57.205 58.150 -0.945 19562 9966 1 20 . 1 1 35 35 SER CB C 35 65.393 65.393 63.847 1.546 19562 9967 1 20 . 1 1 35 35 SER H H 35 8.776 8.776 8.344 0.432 19562 9968 1 20 . 1 1 36 36 GLY N N 36 109.081 109.081 108.748 0.333 19562 9969 1 20 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.346 2.139 19562 9970 1 20 . 1 1 36 36 GLY H H 36 9.013 9.013 7.779 1.234 19562 9971 1 20 . 1 1 37 37 ILE N N 37 121.560 121.560 119.161 2.399 19562 9972 1 20 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.505 0.599 19562 9973 1 20 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.877 -1.755 19562 9974 1 20 . 1 1 37 37 ILE CB C 37 40.465 40.465 40.789 -0.324 19562 9975 1 20 . 1 1 37 37 ILE H H 37 8.779 8.779 8.742 0.037 19562 9976 1 20 . 1 1 38 38 MET N N 38 128.553 128.553 122.365 6.188 19562 9977 1 20 . 1 1 38 38 MET HA H 38 5.735 5.735 4.893 0.842 19562 9978 1 20 . 1 1 38 38 MET CA C 38 53.008 53.008 53.719 -0.711 19562 9979 1 20 . 1 1 38 38 MET CB C 38 36.446 36.446 34.385 2.061 19562 9980 1 20 . 1 1 38 38 MET H H 38 9.827 9.827 9.311 0.516 19562 9981 1 20 . 1 1 39 39 GLU N N 39 129.378 129.378 127.556 1.822 19562 9982 1 20 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.537 0.963 19562 9983 1 20 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.370 -1.915 19562 9984 1 20 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.697 4.839 19562 9985 1 20 . 1 1 39 39 GLU H H 39 10.160 10.160 9.248 0.912 19562 9986 1 20 . 1 1 40 40 LEU N N 40 127.174 127.174 129.754 -2.580 19562 9987 1 20 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.398 0.680 19562 9988 1 20 . 1 1 40 40 LEU CA C 40 54.440 54.440 55.542 -1.102 19562 9989 1 20 . 1 1 40 40 LEU CB C 40 42.013 42.013 42.209 -0.196 19562 9990 1 20 . 1 1 40 40 LEU H H 40 8.334 8.334 8.771 -0.437 19562 9991 1 20 . 1 1 41 41 THR N N 41 115.971 115.971 116.477 -0.506 19562 9992 1 20 . 1 1 41 41 THR HA H 41 5.012 5.012 4.611 0.401 19562 9993 1 20 . 1 1 41 41 THR CA C 41 59.113 59.113 59.382 -0.269 19562 9994 1 20 . 1 1 41 41 THR CB C 41 69.295 69.295 70.802 -1.507 19562 9995 1 20 . 1 1 41 41 THR H H 41 8.682 8.682 7.977 0.705 19562 9996 1 20 . 1 1 42 42 ASP N N 42 117.467 117.467 118.080 -0.613 19562 9997 1 20 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.232 0.383 19562 9998 1 20 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.379 -0.687 19562 9999 1 20 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.759 -0.968 19562 10000 1 20 . 1 1 42 42 ASP H H 42 8.794 8.794 8.550 0.244 19562 10001 1 20 . 1 1 43 43 THR N N 43 104.010 104.010 105.160 -1.150 19562 10002 1 20 . 1 1 43 43 THR HA H 43 4.412 4.412 3.439 0.973 19562 10003 1 20 . 1 1 43 43 THR CA C 43 61.601 61.601 61.038 0.562 19562 10004 1 20 . 1 1 43 43 THR CB C 43 71.362 71.362 70.300 1.062 19562 10005 1 20 . 1 1 43 43 THR H H 43 7.763 7.763 7.321 0.442 19562 10006 1 20 . 1 1 44 44 GLU N N 44 118.980 118.980 121.835 -2.855 19562 10007 1 20 . 1 1 44 44 GLU HA H 44 4.170 4.170 4.947 -0.777 19562 10008 1 20 . 1 1 44 44 GLU CA C 44 53.940 53.940 55.251 -1.311 19562 10009 1 20 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.204 0.283 19562 10010 1 20 . 1 1 44 44 GLU H H 44 7.263 7.263 7.749 -0.486 19562 10011 1 20 . 1 1 45 45 LEU N N 45 122.138 122.138 127.986 -5.848 19562 10012 1 20 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.665 0.307 19562 10013 1 20 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.862 -1.141 19562 10014 1 20 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.515 1.723 19562 10015 1 20 . 1 1 45 45 LEU H H 45 8.314 8.314 9.386 -1.072 19562 10016 1 20 . 1 1 46 46 ILE N N 46 124.244 124.244 126.606 -2.362 19562 10017 1 20 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.519 0.205 19562 10018 1 20 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.823 1.487 19562 10019 1 20 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.121 4.369 19562 10020 1 20 . 1 1 46 46 ILE H H 46 9.154 9.154 9.120 0.034 19562 10021 1 20 . 1 1 47 47 LEU N N 47 127.510 127.510 130.899 -3.389 19562 10022 1 20 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.922 0.344 19562 10023 1 20 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.390 -1.684 19562 10024 1 20 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.561 2.175 19562 10025 1 20 . 1 1 47 47 LEU H H 47 9.378 9.378 8.561 0.817 19562 10026 1 20 . 1 1 48 48 TYR N N 48 128.014 128.014 126.247 1.767 19562 10027 1 20 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.781 0.253 19562 10028 1 20 . 1 1 48 48 TYR CA C 48 56.437 56.437 55.756 0.681 19562 10029 1 20 . 1 1 48 48 TYR CB C 48 38.791 38.791 37.033 1.758 19562 10030 1 20 . 1 1 48 48 TYR H H 48 9.724 9.724 8.950 0.774 19562 10031 1 20 . 1 1 49 49 THR N N 49 115.097 115.097 117.980 -2.883 19562 10032 1 20 . 1 1 49 49 THR HA H 49 4.813 4.813 4.434 0.379 19562 10033 1 20 . 1 1 49 49 THR CA C 49 60.349 60.349 61.187 -0.838 19562 10034 1 20 . 1 1 49 49 THR CB C 49 70.967 70.967 70.113 0.854 19562 10035 1 20 . 1 1 49 49 THR H H 49 8.659 8.659 7.985 0.674 19562 10036 1 20 . 1 1 50 50 ARG N N 50 120.411 120.411 121.262 -0.851 19562 10037 1 20 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.349 -0.150 19562 10038 1 20 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.179 -0.732 19562 10039 1 20 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.447 -0.673 19562 10040 1 20 . 1 1 50 50 ARG H H 50 8.649 8.649 8.806 -0.157 19562 10041 1 20 . 1 1 51 51 LYS N N 51 117.579 117.579 116.985 0.594 19562 10042 1 20 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.507 -0.344 19562 10043 1 20 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.235 0.443 19562 10044 1 20 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.273 -0.915 19562 10045 1 20 . 1 1 51 51 LYS H H 51 8.406 8.406 8.258 0.148 19562 10046 1 20 . 1 1 52 52 ARG N N 52 116.662 116.662 121.065 -4.403 19562 10047 1 20 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.386 0.056 19562 10048 1 20 . 1 1 52 52 ARG CA C 52 55.305 55.305 55.702 -0.397 19562 10049 1 20 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.145 0.605 19562 10050 1 20 . 1 1 52 52 ARG H H 52 7.973 7.973 7.782 0.191 19562 10051 1 20 . 1 1 53 53 ASP N N 53 119.760 119.760 115.583 4.177 19562 10052 1 20 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.374 0.386 19562 10053 1 20 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.847 -0.957 19562 10054 1 20 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.376 -0.369 19562 10055 1 20 . 1 1 53 53 ASP H H 53 8.066 8.066 7.791 0.275 19562 10056 1 20 . 1 1 54 54 SER N N 54 116.756 116.756 115.090 1.666 19562 10057 1 20 . 1 1 54 54 SER HA H 54 4.891 4.891 4.404 0.487 19562 10058 1 20 . 1 1 54 54 SER CA C 54 57.072 57.072 59.492 -2.420 19562 10059 1 20 . 1 1 54 54 SER CB C 54 64.473 64.473 61.706 2.768 19562 10060 1 20 . 1 1 54 54 SER H H 54 8.477 8.477 8.305 0.172 19562 10061 1 20 . 1 1 55 55 VAL N N 55 122.716 122.716 124.350 -1.634 19562 10062 1 20 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.870 0.078 19562 10063 1 20 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.102 -2.646 19562 10064 1 20 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.977 0.561 19562 10065 1 20 . 1 1 55 55 VAL H H 55 8.334 8.334 8.961 -0.627 19562 10066 1 20 . 1 1 56 56 LYS N N 56 121.568 121.568 121.704 -0.136 19562 10067 1 20 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.884 0.387 19562 10068 1 20 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.586 -0.895 19562 10069 1 20 . 1 1 56 56 LYS CB C 56 35.803 35.803 34.624 1.179 19562 10070 1 20 . 1 1 56 56 LYS H H 56 7.501 7.501 7.908 -0.407 19562 10071 1 20 . 1 1 57 57 TRP N N 57 123.638 123.638 124.949 -1.311 19562 10072 1 20 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.809 -0.144 19562 10073 1 20 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.192 1.570 19562 10074 1 20 . 1 1 57 57 TRP CB C 57 31.550 31.550 30.379 1.171 19562 10075 1 20 . 1 1 57 57 TRP H H 57 9.453 9.453 9.027 0.426 19562 10076 1 20 . 1 1 58 58 HIS N N 58 125.312 125.312 126.161 -0.849 19562 10077 1 20 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.142 -0.603 19562 10078 1 20 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.197 -0.013 19562 10079 1 20 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.465 -1.140 19562 10080 1 20 . 1 1 58 58 HIS H H 58 9.024 9.024 8.907 0.117 19562 10081 1 20 . 1 1 59 59 TYR N N 59 126.691 126.691 125.432 1.259 19562 10082 1 20 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.270 0.082 19562 10083 1 20 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.595 0.104 19562 10084 1 20 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.171 -1.644 19562 10085 1 20 . 1 1 59 59 TYR H H 59 8.079 8.079 8.788 -0.709 19562 10086 1 20 . 1 1 60 60 LEU N N 60 114.859 114.859 118.494 -3.635 19562 10087 1 20 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.470 -0.233 19562 10088 1 20 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.027 1.072 19562 10089 1 20 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.847 -0.293 19562 10090 1 20 . 1 1 60 60 LEU H H 60 9.307 9.307 8.113 1.194 19562 10091 1 20 . 1 1 61 61 CYS N N 61 114.415 114.415 116.643 -2.228 19562 10092 1 20 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.566 0.680 19562 10093 1 20 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.023 -0.590 19562 10094 1 20 . 1 1 61 61 CYS CB C 61 28.066 28.066 29.474 -1.408 19562 10095 1 20 . 1 1 61 61 CYS H H 61 8.421 8.421 7.858 0.563 19562 10096 1 20 . 1 1 62 62 LEU N N 62 122.413 122.413 123.883 -1.470 19562 10097 1 20 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.325 0.422 19562 10098 1 20 . 1 1 62 62 LEU CA C 62 54.438 54.438 55.967 -1.529 19562 10099 1 20 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.141 0.898 19562 10100 1 20 . 1 1 62 62 LEU H H 62 7.702 7.702 7.390 0.312 19562 10101 1 20 . 1 1 63 63 ARG N N 63 122.839 122.839 122.752 0.087 19562 10102 1 20 . 1 1 63 63 ARG H H 63 9.301 9.301 9.142 0.159 19562 10103 1 20 . 1 1 64 64 ARG N N 64 111.512 111.512 115.017 -3.505 19562 10104 1 20 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.682 0.804 19562 10105 1 20 . 1 1 64 64 ARG CA C 64 53.645 53.645 54.739 -1.094 19562 10106 1 20 . 1 1 64 64 ARG CB C 64 35.005 35.005 33.655 1.350 19562 10107 1 20 . 1 1 64 64 ARG H H 64 7.457 7.457 7.734 -0.277 19562 10108 1 20 . 1 1 65 65 TYR N N 65 115.127 115.127 114.503 0.624 19562 10109 1 20 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.189 0.351 19562 10110 1 20 . 1 1 65 65 TYR CA C 65 56.189 56.189 57.112 -0.923 19562 10111 1 20 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.285 -0.771 19562 10112 1 20 . 1 1 65 65 TYR H H 65 8.340 8.340 8.406 -0.066 19562 10113 1 20 . 1 1 66 66 GLY N N 66 104.938 104.938 108.624 -3.686 19562 10114 1 20 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.486 2.414 19562 10115 1 20 . 1 1 66 66 GLY H H 66 8.950 8.950 8.683 0.267 19562 10116 1 20 . 1 1 67 67 TYR N N 67 117.143 117.143 119.795 -2.652 19562 10117 1 20 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.606 -0.044 19562 10118 1 20 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.893 -1.408 19562 10119 1 20 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.462 1.885 19562 10120 1 20 . 1 1 67 67 TYR H H 67 8.022 8.022 7.893 0.129 19562 10121 1 20 . 1 1 68 68 ASP N N 68 119.290 119.290 125.108 -5.818 19562 10122 1 20 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.169 -0.339 19562 10123 1 20 . 1 1 68 68 ASP CA C 68 55.442 55.442 51.694 3.748 19562 10124 1 20 . 1 1 68 68 ASP CB C 68 46.016 46.016 43.269 2.747 19562 10125 1 20 . 1 1 68 68 ASP H H 68 8.656 8.656 9.168 -0.512 19562 10126 1 20 . 1 1 69 69 SER N N 69 119.561 119.561 117.391 2.170 19562 10127 1 20 . 1 1 69 69 SER HA H 69 4.040 4.040 4.285 -0.245 19562 10128 1 20 . 1 1 69 69 SER CB C 69 59.170 59.170 62.310 -3.140 19562 10129 1 20 . 1 1 69 69 SER H H 69 8.957 8.957 8.531 0.426 19562 10130 1 20 . 1 1 70 70 ASN N N 70 119.438 119.438 115.557 3.881 19562 10131 1 20 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.560 0.572 19562 10132 1 20 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.190 -2.202 19562 10133 1 20 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.186 0.092 19562 10134 1 20 . 1 1 70 70 ASN H H 70 8.502 8.502 8.762 -0.260 19562 10135 1 20 . 1 1 71 71 LEU N N 71 120.481 120.481 119.033 1.448 19562 10136 1 20 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.938 0.627 19562 10137 1 20 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.109 -0.658 19562 10138 1 20 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.573 1.163 19562 10139 1 20 . 1 1 71 71 LEU H H 71 8.807 8.807 8.545 0.262 19562 10140 1 20 . 1 1 72 72 PHE N N 72 120.815 120.815 127.065 -6.250 19562 10141 1 20 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.458 0.069 19562 10142 1 20 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.393 -0.209 19562 10143 1 20 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.713 1.150 19562 10144 1 20 . 1 1 72 72 PHE H H 72 9.439 9.439 9.740 -0.301 19562 10145 1 20 . 1 1 73 73 SER N N 73 120.270 120.270 118.833 1.437 19562 10146 1 20 . 1 1 73 73 SER HA H 73 5.387 5.387 4.570 0.817 19562 10147 1 20 . 1 1 73 73 SER CA C 73 54.994 54.994 55.071 -0.077 19562 10148 1 20 . 1 1 73 73 SER CB C 73 66.409 66.409 65.794 0.615 19562 10149 1 20 . 1 1 73 73 SER H H 73 8.597 8.597 8.185 0.412 19562 10150 1 20 . 1 1 74 74 PHE N N 74 117.157 117.157 116.468 0.689 19562 10151 1 20 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.210 0.051 19562 10152 1 20 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.866 -0.167 19562 10153 1 20 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.379 0.524 19562 10154 1 20 . 1 1 74 74 PHE H H 74 8.050 8.050 8.293 -0.243 19562 10155 1 20 . 1 1 75 75 GLU HA H 75 5.736 5.736 5.127 0.609 19562 10156 1 20 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.509 -2.800 19562 10157 1 20 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.284 0.536 19562 10158 1 20 . 1 1 76 76 SER N N 76 123.656 123.656 123.064 0.592 19562 10159 1 20 . 1 1 76 76 SER HA H 76 5.243 5.243 5.093 0.150 19562 10160 1 20 . 1 1 76 76 SER CA C 76 56.906 56.906 56.865 0.041 19562 10161 1 20 . 1 1 76 76 SER CB C 76 67.886 67.886 64.016 3.870 19562 10162 1 20 . 1 1 76 76 SER H H 76 9.930 9.930 9.148 0.782 19562 10163 1 20 . 1 1 77 77 GLY N N 77 105.906 105.906 110.569 -4.663 19562 10164 1 20 . 1 1 77 77 GLY CA C 77 45.000 45.000 44.572 0.428 19562 10165 1 20 . 1 1 77 77 GLY H H 77 8.939 8.939 9.142 -0.203 19562 10166 1 20 . 1 1 78 78 ARG N N 78 114.676 114.676 118.670 -3.994 19562 10167 1 20 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.558 -0.541 19562 10168 1 20 . 1 1 78 78 ARG H H 78 9.680 9.680 7.449 2.231 19562 10169 1 20 . 1 1 79 79 ARG N N 79 121.801 121.801 122.800 -0.999 19562 10170 1 20 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.318 0.255 19562 10171 1 20 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.802 -1.874 19562 10172 1 20 . 1 1 79 79 ARG CB C 79 27.070 27.070 29.920 -2.850 19562 10173 1 20 . 1 1 79 79 ARG H H 79 9.389 9.389 8.621 0.768 19562 10174 1 20 . 1 1 80 80 CYS N N 80 113.901 113.901 119.689 -5.788 19562 10175 1 20 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.497 0.391 19562 10176 1 20 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.615 -1.650 19562 10177 1 20 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.153 -0.555 19562 10178 1 20 . 1 1 80 80 CYS H H 80 7.994 7.994 8.224 -0.230 19562 10179 1 20 . 1 1 81 81 GLN N N 81 122.839 122.839 120.564 2.275 19562 10180 1 20 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.101 -0.005 19562 10181 1 20 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.629 0.310 19562 10182 1 20 . 1 1 81 81 GLN CB C 81 28.340 28.340 29.213 -0.873 19562 10183 1 20 . 1 1 81 81 GLN H H 81 8.950 8.950 8.703 0.247 19562 10184 1 20 . 1 1 82 82 THR N N 82 107.297 107.297 108.596 -1.299 19562 10185 1 20 . 1 1 82 82 THR HA H 82 4.207 4.207 4.530 -0.323 19562 10186 1 20 . 1 1 82 82 THR CA C 82 63.147 63.147 61.678 1.469 19562 10187 1 20 . 1 1 82 82 THR CB C 82 70.591 70.591 68.734 1.858 19562 10188 1 20 . 1 1 82 82 THR H H 82 8.345 8.345 7.633 0.712 19562 10189 1 20 . 1 1 83 83 GLY N N 83 112.681 112.681 111.231 1.450 19562 10190 1 20 . 1 1 83 83 GLY CA C 83 43.994 43.994 47.048 -3.054 19562 10191 1 20 . 1 1 83 83 GLY H H 83 7.820 7.820 8.419 -0.599 19562 10192 1 20 . 1 1 84 84 GLN N N 84 119.972 119.972 117.323 2.649 19562 10193 1 20 . 1 1 84 84 GLN H H 84 8.622 8.622 8.625 -0.003 19562 10194 1 20 . 1 1 85 85 GLY N N 85 111.040 111.040 105.759 5.281 19562 10195 1 20 . 1 1 85 85 GLY H H 85 8.056 8.056 8.047 0.009 19562 10196 1 20 . 1 1 86 86 ILE N N 86 121.645 121.645 125.134 -3.489 19562 10197 1 20 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.357 -0.071 19562 10198 1 20 . 1 1 86 86 ILE CA C 86 60.162 60.162 60.606 -0.444 19562 10199 1 20 . 1 1 86 86 ILE CB C 86 38.542 38.542 35.464 3.078 19562 10200 1 20 . 1 1 86 86 ILE H H 86 8.021 8.021 8.269 -0.248 19562 10201 1 20 . 1 1 87 87 PHE N N 87 123.890 123.890 129.845 -5.955 19562 10202 1 20 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.469 0.157 19562 10203 1 20 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.292 0.652 19562 10204 1 20 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.278 0.725 19562 10205 1 20 . 1 1 87 87 PHE H H 87 8.476 8.476 9.139 -0.663 19562 10206 1 20 . 1 1 88 88 ALA N N 88 124.824 124.824 129.270 -4.446 19562 10207 1 20 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.157 1.124 19562 10208 1 20 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.621 0.583 19562 10209 1 20 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.447 0.888 19562 10210 1 20 . 1 1 88 88 ALA H H 88 9.149 9.149 8.188 0.961 19562 10211 1 20 . 1 1 89 89 PHE N N 89 118.047 118.047 119.440 -1.393 19562 10212 1 20 . 1 1 89 89 PHE HA H 89 5.445 5.445 5.073 0.372 19562 10213 1 20 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.786 -0.081 19562 10214 1 20 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.830 0.666 19562 10215 1 20 . 1 1 89 89 PHE H H 89 9.423 9.423 9.027 0.396 19562 10216 1 20 . 1 1 90 90 LYS N N 90 122.937 122.937 124.967 -2.030 19562 10217 1 20 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.570 0.935 19562 10218 1 20 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.251 -1.423 19562 10219 1 20 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.660 2.353 19562 10220 1 20 . 1 1 90 90 LYS H H 90 9.943 9.943 9.040 0.903 19562 10221 1 20 . 1 1 91 91 CYS N N 91 126.115 126.115 122.879 3.236 19562 10222 1 20 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.592 0.161 19562 10223 1 20 . 1 1 91 91 CYS CA C 91 58.175 58.175 56.891 1.284 19562 10224 1 20 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.366 -0.556 19562 10225 1 20 . 1 1 91 91 CYS H H 91 9.689 9.689 8.450 1.239 19562 10226 1 20 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.220 0.211 19562 10227 1 20 . 1 1 92 92 ALA CA C 92 54.710 54.710 53.961 0.749 19562 10228 1 20 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.576 -0.713 19562 10229 1 20 . 1 1 93 93 ARG N N 93 117.248 117.248 118.473 -1.225 19562 10230 1 20 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.257 0.755 19562 10231 1 20 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.409 0.548 19562 10232 1 20 . 1 1 93 93 ARG CB C 93 30.803 30.803 28.060 2.743 19562 10233 1 20 . 1 1 93 93 ARG H H 93 7.964 7.964 7.586 0.378 19562 10234 1 20 . 1 1 94 94 ALA N N 94 122.369 122.369 124.070 -1.701 19562 10235 1 20 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.970 -0.447 19562 10236 1 20 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.448 -0.477 19562 10237 1 20 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.783 -0.687 19562 10238 1 20 . 1 1 94 94 ALA H H 94 7.310 7.310 8.174 -0.864 19562 10239 1 20 . 1 1 95 95 GLU N N 95 116.205 116.205 118.187 -1.982 19562 10240 1 20 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.751 -0.271 19562 10241 1 20 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.280 -0.584 19562 10242 1 20 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.776 1.285 19562 10243 1 20 . 1 1 95 95 GLU H H 95 8.376 8.376 8.623 -0.247 19562 10244 1 20 . 1 1 96 96 GLU N N 96 119.188 119.188 120.371 -1.183 19562 10245 1 20 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.030 -0.063 19562 10246 1 20 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.392 0.509 19562 10247 1 20 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.131 0.899 19562 10248 1 20 . 1 1 96 96 GLU H H 96 7.418 7.418 7.823 -0.405 19562 10249 1 20 . 1 1 97 97 LEU N N 97 123.654 123.654 120.770 2.884 19562 10250 1 20 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.148 -1.134 19562 10251 1 20 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.475 0.244 19562 10252 1 20 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.901 -0.888 19562 10253 1 20 . 1 1 97 97 LEU H H 97 7.847 7.847 8.646 -0.799 19562 10254 1 20 . 1 1 98 98 PHE N N 98 118.746 118.746 119.596 -0.850 19562 10255 1 20 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.331 -0.538 19562 10256 1 20 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.518 0.178 19562 10257 1 20 . 1 1 98 98 PHE H H 98 8.076 8.076 9.151 -1.075 19562 10258 1 20 . 1 1 99 99 ASN N N 99 117.017 117.017 117.831 -0.814 19562 10259 1 20 . 1 1 99 99 ASN HA H 99 4.220 4.220 3.871 0.349 19562 10260 1 20 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.893 -0.427 19562 10261 1 20 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.129 -0.848 19562 10262 1 20 . 1 1 99 99 ASN H H 99 8.622 8.622 8.184 0.438 19562 10263 1 20 . 1 1 100 100 MET N N 100 121.914 121.914 119.999 1.915 19562 10264 1 20 . 1 1 100 100 MET HA H 100 4.061 4.061 4.001 0.060 19562 10265 1 20 . 1 1 100 100 MET CA C 100 58.699 58.699 59.208 -0.509 19562 10266 1 20 . 1 1 100 100 MET CB C 100 32.048 32.048 32.587 -0.539 19562 10267 1 20 . 1 1 100 100 MET H H 100 8.316 8.316 8.500 -0.184 19562 10268 1 20 . 1 1 101 101 LEU N N 101 121.094 121.094 120.207 0.887 19562 10269 1 20 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.086 -0.506 19562 10270 1 20 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.095 -0.669 19562 10271 1 20 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.431 -0.331 19562 10272 1 20 . 1 1 101 101 LEU H H 101 8.047 8.047 8.735 -0.688 19562 10273 1 20 . 1 1 102 102 GLN N N 102 116.417 116.417 117.483 -1.066 19562 10274 1 20 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.084 -0.170 19562 10275 1 20 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.991 -0.545 19562 10276 1 20 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.335 0.352 19562 10277 1 20 . 1 1 102 102 GLN H H 102 8.195 8.195 8.491 -0.296 19562 10278 1 20 . 1 1 103 103 GLU N N 103 119.096 119.096 120.446 -1.350 19562 10279 1 20 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.186 -0.278 19562 10280 1 20 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.986 -0.069 19562 10281 1 20 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.458 -0.397 19562 10282 1 20 . 1 1 103 103 GLU H H 103 7.635 7.635 8.464 -0.829 19562 10283 1 20 . 1 1 104 104 ILE N N 104 120.803 120.803 121.175 -0.372 19562 10284 1 20 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.622 -0.021 19562 10285 1 20 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.551 -0.841 19562 10286 1 20 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.870 0.180 19562 10287 1 20 . 1 1 104 104 ILE H H 104 7.965 7.965 8.766 -0.801 19562 10288 1 20 . 1 1 105 105 MET N N 105 117.016 117.016 118.131 -1.115 19562 10289 1 20 . 1 1 105 105 MET HA H 105 4.020 4.020 4.150 -0.130 19562 10290 1 20 . 1 1 105 105 MET CA C 105 57.384 57.384 59.712 -2.328 19562 10291 1 20 . 1 1 105 105 MET H H 105 8.145 8.145 8.428 -0.283 19562 10292 1 20 . 1 1 106 106 GLN N N 106 116.150 116.150 117.512 -1.362 19562 10293 1 20 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.124 0.079 19562 10294 1 20 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.416 -1.775 19562 10295 1 20 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.737 -0.624 19562 10296 1 20 . 1 1 106 106 GLN H H 106 7.930 7.930 8.302 -0.372 19562 10297 1 20 . 1 1 107 107 ASN N N 107 117.360 117.360 114.310 3.050 19562 10298 1 20 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.794 -0.074 19562 10299 1 20 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.350 -0.853 19562 10300 1 20 . 1 1 107 107 ASN CB C 107 38.559 38.559 40.087 -1.528 19562 10301 1 20 . 1 1 107 107 ASN H H 107 7.872 7.872 8.301 -0.429 19562 10302 1 20 . 1 1 108 108 ASN N N 108 118.611 118.611 117.895 0.716 19562 10303 1 20 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.893 -0.133 19562 10304 1 20 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.200 -1.500 19562 10305 1 20 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.253 -1.735 19562 10306 1 20 . 1 1 108 108 ASN H H 108 8.144 8.144 8.340 -0.196 19562 10307 1 20 . 1 1 109 109 SER N N 109 115.704 115.704 115.107 0.597 19562 10308 1 20 . 1 1 109 109 SER HA H 109 4.519 4.519 4.098 0.421 19562 10309 1 20 . 1 1 109 109 SER CA C 109 57.700 57.700 60.276 -2.576 19562 10310 1 20 . 1 1 109 109 SER CB C 109 63.150 63.150 62.538 0.612 19562 10311 1 20 . 1 1 109 109 SER H H 109 8.215 8.215 7.886 0.329 19562 10312 1 20 . 1 1 110 110 ILE N N 110 121.954 121.954 120.047 1.907 19562 10313 1 20 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.716 0.496 19562 10314 1 20 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.107 -1.221 19562 10315 1 20 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.389 1.847 19562 10316 1 20 . 1 1 110 110 ILE H H 110 8.061 8.061 7.826 0.235 19562 10317 1 20 . 1 1 111 111 ASN N N 111 122.386 122.386 123.543 -1.157 19562 10318 1 20 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.933 -0.151 19562 10319 1 20 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.559 0.175 19562 10320 1 20 . 1 1 111 111 ASN CB C 111 38.800 38.800 39.960 -1.160 19562 10321 1 20 . 1 1 111 111 ASN H H 111 8.376 8.376 8.417 -0.041 19562 10322 1 20 . 1 1 112 112 VAL N N 112 120.830 120.830 125.835 -5.005 19562 10323 1 20 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.042 0.143 19562 10324 1 20 . 1 1 112 112 VAL CA C 112 61.660 61.660 64.030 -2.370 19562 10325 1 20 . 1 1 112 112 VAL CB C 112 32.330 32.330 32.171 0.159 19562 10326 1 20 . 1 1 112 112 VAL H H 112 8.067 8.067 8.759 -0.692 19562 10327 1 20 . 1 1 113 113 VAL N N 113 124.249 124.249 115.582 8.667 19562 10328 1 20 . 1 1 113 113 VAL HA H 113 4.115 4.115 4.242 -0.127 19562 10329 1 20 . 1 1 113 113 VAL CA C 113 61.450 61.450 61.354 0.096 19562 10330 1 20 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.192 -0.847 19562 10331 1 20 . 1 1 113 113 VAL H H 113 8.167 8.167 7.511 0.656 19562 10332 1 20 . 1 1 114 114 GLU N N 114 125.288 125.288 121.046 4.242 19562 10333 1 20 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.094 0.215 19562 10334 1 20 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.393 -1.703 19562 10335 1 20 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.017 1.033 19562 10336 1 20 . 1 1 114 114 GLU H H 114 8.405 8.405 8.587 -0.182 19562 10337 1 20 . 1 1 115 115 GLU N N 115 123.990 123.990 122.306 1.684 19562 10338 1 20 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.547 0.016 19562 10339 1 20 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.061 -0.336 19562 10340 1 20 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.258 -0.823 19562 10341 1 20 . 1 1 115 115 GLU H H 115 8.392 8.392 8.089 0.303 19562 10342 1 20 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.263 0.167 19562 10343 1 20 . 1 1 116 116 PRO CA C 116 62.670 62.670 64.524 -1.854 19562 10344 1 20 . 1 1 116 116 PRO CB C 116 31.655 31.655 31.908 -0.253 19562 10345 1 20 . 1 1 117 117 VAL N N 117 121.339 121.339 111.793 9.546 19562 10346 1 20 . 1 1 117 117 VAL HA H 117 4.076 4.076 4.287 -0.211 19562 10347 1 20 . 1 1 117 117 VAL CA C 117 61.990 61.990 61.219 0.771 19562 10348 1 20 . 1 1 117 117 VAL CB C 117 31.820 31.820 33.921 -2.101 19562 10349 1 20 . 1 1 117 117 VAL H H 117 8.266 8.266 7.497 0.769 19562 10350 1 20 . 1 1 118 118 VAL N N 118 124.762 124.762 128.259 -3.497 19562 10351 1 20 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.907 0.209 19562 10352 1 20 . 1 1 118 118 VAL H H 118 8.202 8.202 8.652 -0.450 19562 10353 1 20 . 1 1 119 119 GLU N N 119 125.304 125.304 126.533 -1.229 19562 10354 1 20 . 1 1 119 119 GLU H H 119 8.479 8.479 9.086 -0.607 19562 10355 1 20 . 1 1 120 120 ARG HA H 120 4.395 4.395 3.929 0.466 19562 10356 1 20 . 1 1 120 120 ARG CA C 120 55.350 55.350 57.194 -1.844 19562 10357 1 20 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.299 1.266 19562 10358 1 20 . 1 1 121 121 ASN N N 121 120.465 120.465 115.896 4.569 19562 10359 1 20 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.232 0.522 19562 10360 1 20 . 1 1 121 121 ASN H H 121 8.536 8.536 8.328 0.208 19562 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 107 3.324 0.498 3.302 19562 2 1 1 "Average Difference" HA 117 0.495 -0.153 0.473 19562 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19562 4 1 1 "Average Difference" CA 105 1.324 0.567 1.202 19562 5 1 1 "Average Difference" CB 96 1.658 -0.309 1.638 19562 6 1 1 "Average Difference" HN 107 0.609 -0.107 0.602 19562 7 1 2 "Average Difference" N 107 3.438 0.565 3.408 19562 8 1 2 "Average Difference" HA 117 0.482 -0.167 0.454 19562 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19562 10 1 2 "Average Difference" CA 105 1.330 0.545 1.219 19562 11 1 2 "Average Difference" CB 96 1.627 -0.404 1.584 19562 12 1 2 "Average Difference" HN 107 0.578 -0.116 0.568 19562 13 1 3 "Average Difference" N 107 3.646 0.649 3.605 19562 14 1 3 "Average Difference" HA 117 0.496 -0.150 0.475 19562 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19562 16 1 3 "Average Difference" CA 105 1.297 0.567 1.172 19562 17 1 3 "Average Difference" CB 96 1.743 -0.373 1.711 19562 18 1 3 "Average Difference" HN 107 0.606 -0.140 0.592 19562 19 1 4 "Average Difference" N 107 3.507 0.680 3.457 19562 20 1 4 "Average Difference" HA 117 0.487 -0.154 0.464 19562 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19562 22 1 4 "Average Difference" CA 105 1.313 0.585 1.181 19562 23 1 4 "Average Difference" CB 96 1.663 -0.345 1.635 19562 24 1 4 "Average Difference" HN 107 0.615 -0.149 0.600 19562 25 1 5 "Average Difference" N 107 3.195 0.620 3.149 19562 26 1 5 "Average Difference" HA 117 0.496 -0.137 0.479 19562 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19562 28 1 5 "Average Difference" CA 105 1.258 0.430 1.188 19562 29 1 5 "Average Difference" CB 96 1.662 -0.359 1.631 19562 30 1 5 "Average Difference" HN 107 0.599 -0.120 0.590 19562 31 1 6 "Average Difference" N 107 3.444 0.361 3.441 19562 32 1 6 "Average Difference" HA 117 0.477 -0.143 0.458 19562 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19562 34 1 6 "Average Difference" CA 105 1.247 0.550 1.124 19562 35 1 6 "Average Difference" CB 96 1.610 -0.359 1.577 19562 36 1 6 "Average Difference" HN 107 0.581 -0.121 0.571 19562 37 1 7 "Average Difference" N 107 3.394 0.608 3.355 19562 38 1 7 "Average Difference" HA 117 0.494 -0.163 0.468 19562 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19562 40 1 7 "Average Difference" CA 105 1.325 0.522 1.224 19562 41 1 7 "Average Difference" CB 96 1.639 -0.439 1.587 19562 42 1 7 "Average Difference" HN 107 0.587 -0.104 0.580 19562 43 1 8 "Average Difference" N 107 3.471 0.505 3.450 19562 44 1 8 "Average Difference" HA 117 0.481 -0.126 0.466 19562 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19562 46 1 8 "Average Difference" CA 105 1.369 0.523 1.271 19562 47 1 8 "Average Difference" CB 96 1.543 -0.276 1.526 19562 48 1 8 "Average Difference" HN 107 0.607 -0.145 0.593 19562 49 1 9 "Average Difference" N 107 3.421 0.821 3.337 19562 50 1 9 "Average Difference" HA 117 0.465 -0.147 0.443 19562 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19562 52 1 9 "Average Difference" CA 105 1.259 0.549 1.138 19562 53 1 9 "Average Difference" CB 96 1.641 -0.302 1.621 19562 54 1 9 "Average Difference" HN 107 0.581 -0.113 0.573 19562 55 1 10 "Average Difference" N 107 3.348 0.670 3.295 19562 56 1 10 "Average Difference" HA 117 0.489 -0.129 0.474 19562 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19562 58 1 10 "Average Difference" CA 105 1.303 0.429 1.236 19562 59 1 10 "Average Difference" CB 96 1.595 -0.316 1.571 19562 60 1 10 "Average Difference" HN 107 0.591 -0.120 0.582 19562 61 1 11 "Average Difference" N 107 3.363 0.592 3.326 19562 62 1 11 "Average Difference" HA 117 0.480 -0.155 0.456 19562 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19562 64 1 11 "Average Difference" CA 105 1.289 0.555 1.169 19562 65 1 11 "Average Difference" CB 96 1.570 -0.366 1.535 19562 66 1 11 "Average Difference" HN 107 0.585 -0.123 0.575 19562 67 1 12 "Average Difference" N 107 3.421 0.690 3.366 19562 68 1 12 "Average Difference" HA 117 0.475 -0.144 0.454 19562 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19562 70 1 12 "Average Difference" CA 105 1.282 0.574 1.151 19562 71 1 12 "Average Difference" CB 96 1.591 -0.385 1.552 19562 72 1 12 "Average Difference" HN 107 0.606 -0.105 0.600 19562 73 1 13 "Average Difference" N 107 3.396 0.514 3.373 19562 74 1 13 "Average Difference" HA 117 0.490 -0.156 0.467 19562 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19562 76 1 13 "Average Difference" CA 105 1.395 0.526 1.298 19562 77 1 13 "Average Difference" CB 96 1.553 -0.327 1.527 19562 78 1 13 "Average Difference" HN 107 0.548 -0.111 0.539 19562 79 1 14 "Average Difference" N 107 3.595 0.597 3.562 19562 80 1 14 "Average Difference" HA 117 0.492 -0.132 0.476 19562 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19562 82 1 14 "Average Difference" CA 105 1.227 0.476 1.136 19562 83 1 14 "Average Difference" CB 96 1.673 -0.311 1.652 19562 84 1 14 "Average Difference" HN 107 0.614 -0.165 0.594 19562 85 1 15 "Average Difference" N 107 3.354 0.507 3.331 19562 86 1 15 "Average Difference" HA 117 0.481 -0.133 0.464 19562 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19562 88 1 15 "Average Difference" CA 105 1.264 0.556 1.141 19562 89 1 15 "Average Difference" CB 96 1.595 -0.337 1.567 19562 90 1 15 "Average Difference" HN 107 0.602 -0.131 0.591 19562 91 1 16 "Average Difference" N 107 3.408 0.795 3.330 19562 92 1 16 "Average Difference" HA 117 0.471 -0.152 0.448 19562 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19562 94 1 16 "Average Difference" CA 105 1.397 0.626 1.255 19562 95 1 16 "Average Difference" CB 96 1.656 -0.304 1.637 19562 96 1 16 "Average Difference" HN 107 0.565 -0.105 0.558 19562 97 1 17 "Average Difference" N 107 3.561 0.498 3.542 19562 98 1 17 "Average Difference" HA 117 0.491 -0.137 0.474 19562 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19562 100 1 17 "Average Difference" CA 105 1.335 0.578 1.209 19562 101 1 17 "Average Difference" CB 96 1.636 -0.341 1.608 19562 102 1 17 "Average Difference" HN 107 0.594 -0.124 0.584 19562 103 1 18 "Average Difference" N 107 3.311 0.832 3.220 19562 104 1 18 "Average Difference" HA 117 0.483 -0.152 0.460 19562 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19562 106 1 18 "Average Difference" CA 105 1.278 0.580 1.144 19562 107 1 18 "Average Difference" CB 96 1.651 -0.316 1.629 19562 108 1 18 "Average Difference" HN 107 0.603 -0.105 0.597 19562 109 1 19 "Average Difference" N 107 3.310 0.562 3.278 19562 110 1 19 "Average Difference" HA 117 0.510 -0.175 0.482 19562 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19562 112 1 19 "Average Difference" CA 105 1.495 0.672 1.342 19562 113 1 19 "Average Difference" CB 96 1.586 -0.370 1.550 19562 114 1 19 "Average Difference" HN 107 0.613 -0.117 0.604 19562 115 1 20 "Average Difference" N 107 3.481 0.440 3.470 19562 116 1 20 "Average Difference" HA 117 0.479 -0.138 0.461 19562 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19562 118 1 20 "Average Difference" CA 105 1.324 0.476 1.241 19562 119 1 20 "Average Difference" CB 96 1.559 -0.337 1.530 19562 120 1 20 "Average Difference" HN 107 0.594 -0.111 0.586 19562 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 19562 _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 9 9 HIS HA H 9 4.619 4.619 4.791 -0.172 19562 2 1 . 1 1 9 9 HIS CA C 9 56.148 56.148 56.263 -0.115 19562 3 1 . 1 1 9 9 HIS CB C 9 29.609 29.609 29.919 -0.310 19562 4 1 . 1 1 10 10 MET N N 10 120.964 120.964 120.478 0.486 19562 5 1 . 1 1 10 10 MET HA H 10 4.395 4.395 4.280 0.115 19562 6 1 . 1 1 10 10 MET CA C 10 55.153 55.153 57.376 -2.223 19562 7 1 . 1 1 10 10 MET CB C 10 32.293 32.293 33.125 -0.832 19562 8 1 . 1 1 10 10 MET H H 10 8.274 8.274 8.248 0.026 19562 9 1 . 1 1 11 11 ASP N N 11 120.989 120.989 116.597 4.392 19562 10 1 . 1 1 11 11 ASP HA H 11 4.746 4.746 4.707 0.039 19562 11 1 . 1 1 11 11 ASP CA C 11 54.200 54.200 54.298 -0.098 19562 12 1 . 1 1 11 11 ASP CB C 11 40.200 40.200 41.180 -0.980 19562 13 1 . 1 1 11 11 ASP H H 11 8.281 8.281 8.158 0.123 19562 14 1 . 1 1 12 12 THR N N 12 113.244 113.244 113.983 -0.739 19562 15 1 . 1 1 12 12 THR HA H 12 4.312 4.312 4.265 0.046 19562 16 1 . 1 1 12 12 THR CA C 12 61.218 61.218 62.377 -1.159 19562 17 1 . 1 1 12 12 THR CB C 12 69.316 69.316 68.082 1.234 19562 18 1 . 1 1 12 12 THR H H 12 7.979 7.979 7.920 0.059 19562 19 1 . 1 1 13 13 VAL N N 13 123.579 123.579 124.142 -0.563 19562 20 1 . 1 1 13 13 VAL HA H 13 4.404 4.404 4.152 0.252 19562 21 1 . 1 1 13 13 VAL CA C 13 59.234 59.234 60.701 -1.467 19562 22 1 . 1 1 13 13 VAL CB C 13 32.299 32.299 32.694 -0.395 19562 23 1 . 1 1 13 13 VAL H H 13 8.021 8.021 7.806 0.215 19562 24 1 . 1 1 14 14 PRO HA H 14 4.427 4.427 4.507 -0.080 19562 25 1 . 1 1 14 14 PRO CA C 14 62.900 62.900 63.120 -0.221 19562 26 1 . 1 1 14 14 PRO CB C 14 31.790 31.790 32.156 -0.366 19562 27 1 . 1 1 15 15 ASP N N 15 120.556 120.556 117.507 3.049 19562 28 1 . 1 1 15 15 ASP HA H 15 4.452 4.452 4.356 0.096 19562 29 1 . 1 1 15 15 ASP CA C 15 54.421 54.421 55.609 -1.188 19562 30 1 . 1 1 15 15 ASP CB C 15 40.558 40.558 40.984 -0.426 19562 31 1 . 1 1 15 15 ASP H H 15 8.471 8.471 8.544 -0.073 19562 32 1 . 1 1 16 16 ASN N N 16 116.991 116.991 115.677 1.314 19562 33 1 . 1 1 16 16 ASN HA H 16 4.604 4.604 4.646 -0.042 19562 34 1 . 1 1 16 16 ASN CA C 16 52.282 52.282 52.874 -0.592 19562 35 1 . 1 1 16 16 ASN CB C 16 37.731 37.731 39.520 -1.789 19562 36 1 . 1 1 16 16 ASN H H 16 8.111 8.111 7.955 0.156 19562 37 1 . 1 1 17 17 HIS N N 17 119.335 119.335 118.743 0.592 19562 38 1 . 1 1 17 17 HIS HA H 17 4.412 4.412 4.561 -0.149 19562 39 1 . 1 1 17 17 HIS CA C 17 56.436 56.436 56.575 -0.139 19562 40 1 . 1 1 17 17 HIS CB C 17 30.009 30.009 30.187 -0.178 19562 41 1 . 1 1 17 17 HIS H H 17 8.014 8.014 8.123 -0.109 19562 42 1 . 1 1 18 18 ARG N N 18 122.269 122.269 121.075 1.194 19562 43 1 . 1 1 18 18 ARG HA H 18 3.983 3.983 3.997 -0.014 19562 44 1 . 1 1 18 18 ARG CA C 18 57.419 57.419 58.172 -0.753 19562 45 1 . 1 1 18 18 ARG CB C 18 29.781 29.781 30.419 -0.638 19562 46 1 . 1 1 18 18 ARG H H 18 8.209 8.209 8.550 -0.341 19562 47 1 . 1 1 19 19 ASN N N 19 114.495 114.495 114.469 0.026 19562 48 1 . 1 1 19 19 ASN HA H 19 4.715 4.715 4.216 0.499 19562 49 1 . 1 1 19 19 ASN CA C 19 52.723 52.723 54.248 -1.525 19562 50 1 . 1 1 19 19 ASN CB C 19 38.034 38.034 38.762 -0.728 19562 51 1 . 1 1 19 19 ASN H H 19 8.565 8.565 7.699 0.866 19562 52 1 . 1 1 20 20 LYS N N 20 117.932 117.932 121.193 -3.261 19562 53 1 . 1 1 20 20 LYS HA H 20 5.257 5.257 4.191 1.066 19562 54 1 . 1 1 20 20 LYS CA C 20 54.736 54.736 55.345 -0.609 19562 55 1 . 1 1 20 20 LYS CB C 20 35.015 35.015 31.573 3.442 19562 56 1 . 1 1 20 20 LYS H H 20 7.040 7.040 7.092 -0.052 19562 57 1 . 1 1 21 21 PHE N N 21 120.620 120.620 127.319 -6.699 19562 58 1 . 1 1 21 21 PHE HA H 21 4.509 4.509 4.601 -0.092 19562 59 1 . 1 1 21 21 PHE CA C 21 55.921 55.921 54.574 1.347 19562 60 1 . 1 1 21 21 PHE CB C 21 42.198 42.198 41.587 0.611 19562 61 1 . 1 1 21 21 PHE H H 21 9.389 9.389 8.170 1.219 19562 62 1 . 1 1 22 22 LYS N N 22 125.637 125.637 127.062 -1.425 19562 63 1 . 1 1 22 22 LYS HA H 22 4.737 4.737 4.473 0.264 19562 64 1 . 1 1 22 22 LYS CA C 22 56.972 56.972 55.957 1.015 19562 65 1 . 1 1 22 22 LYS CB C 22 31.306 31.306 31.256 0.050 19562 66 1 . 1 1 22 22 LYS H H 22 9.258 9.258 8.958 0.299 19562 67 1 . 1 1 23 23 VAL N N 23 118.282 118.282 118.893 -0.611 19562 68 1 . 1 1 23 23 VAL HA H 23 5.627 5.627 4.446 1.181 19562 69 1 . 1 1 23 23 VAL CA C 23 58.385 58.385 59.331 -0.946 19562 70 1 . 1 1 23 23 VAL CB C 23 36.516 36.516 34.030 2.486 19562 71 1 . 1 1 23 23 VAL H H 23 8.672 8.672 8.012 0.660 19562 72 1 . 1 1 24 24 ILE N N 24 120.397 120.397 119.092 1.305 19562 73 1 . 1 1 24 24 ILE HA H 24 4.813 4.813 4.478 0.335 19562 74 1 . 1 1 24 24 ILE CA C 24 60.161 60.161 59.900 0.261 19562 75 1 . 1 1 24 24 ILE CB C 24 42.068 42.068 40.119 1.949 19562 76 1 . 1 1 24 24 ILE H H 24 8.824 8.824 8.192 0.632 19562 77 1 . 1 1 25 25 ASN N N 25 127.655 127.655 126.972 0.683 19562 78 1 . 1 1 25 25 ASN HA H 25 4.501 4.501 4.807 -0.306 19562 79 1 . 1 1 25 25 ASN CA C 25 54.201 54.201 53.597 0.604 19562 80 1 . 1 1 25 25 ASN CB C 25 39.520 39.520 38.632 0.888 19562 81 1 . 1 1 25 25 ASN H H 25 9.232 9.232 8.554 0.678 19562 82 1 . 1 1 26 26 VAL N N 26 116.322 116.322 117.218 -0.896 19562 83 1 . 1 1 26 26 VAL HA H 26 5.542 5.542 5.287 0.255 19562 84 1 . 1 1 26 26 VAL CA C 26 57.772 57.772 59.577 -1.805 19562 85 1 . 1 1 26 26 VAL CB C 26 35.270 35.270 34.679 0.591 19562 86 1 . 1 1 26 26 VAL H H 26 7.680 7.680 7.498 0.182 19562 87 1 . 1 1 27 27 ASP N N 27 117.000 117.000 125.634 -8.634 19562 88 1 . 1 1 27 27 ASP HA H 27 4.093 4.093 4.884 -0.791 19562 89 1 . 1 1 27 27 ASP CA C 27 50.962 50.962 53.339 -2.377 19562 90 1 . 1 1 27 27 ASP H H 27 7.500 7.500 8.092 -0.592 19562 91 1 . 1 1 28 28 ASP N N 28 112.540 112.540 124.226 -11.686 19562 92 1 . 1 1 28 28 ASP HA H 28 4.171 4.171 4.314 -0.143 19562 93 1 . 1 1 28 28 ASP CA C 28 56.298 56.298 56.086 0.211 19562 94 1 . 1 1 28 28 ASP CB C 28 40.084 40.084 40.784 -0.700 19562 95 1 . 1 1 28 28 ASP H H 28 7.922 7.922 8.957 -1.036 19562 96 1 . 1 1 29 29 ASP N N 29 115.319 115.319 116.710 -1.391 19562 97 1 . 1 1 29 29 ASP HA H 29 4.745 4.745 4.659 0.085 19562 98 1 . 1 1 29 29 ASP CA C 29 53.451 53.451 53.929 -0.478 19562 99 1 . 1 1 29 29 ASP CB C 29 42.004 42.004 41.528 0.476 19562 100 1 . 1 1 29 29 ASP H H 29 7.809 7.809 8.080 -0.271 19562 101 1 . 1 1 30 30 GLY N N 30 108.887 108.887 108.879 0.008 19562 102 1 . 1 1 30 30 GLY CA C 30 44.489 44.489 45.322 -0.833 19562 103 1 . 1 1 30 30 GLY H H 30 8.196 8.196 8.291 -0.095 19562 104 1 . 1 1 31 31 ASN N N 31 119.906 119.906 118.444 1.462 19562 105 1 . 1 1 31 31 ASN HA H 31 4.483 4.483 4.754 -0.271 19562 106 1 . 1 1 31 31 ASN CA C 31 53.201 53.201 52.167 1.034 19562 107 1 . 1 1 31 31 ASN CB C 31 37.611 37.611 39.508 -1.897 19562 108 1 . 1 1 31 31 ASN H H 31 8.643 8.643 8.027 0.616 19562 109 1 . 1 1 32 32 GLU N N 32 119.114 119.114 125.779 -6.665 19562 110 1 . 1 1 32 32 GLU HA H 32 3.899 3.899 4.200 -0.301 19562 111 1 . 1 1 32 32 GLU CA C 32 57.461 57.461 57.374 0.087 19562 112 1 . 1 1 32 32 GLU H H 32 8.525 8.525 8.916 -0.391 19562 113 1 . 1 1 33 33 LEU N N 33 126.117 126.117 123.409 2.708 19562 114 1 . 1 1 33 33 LEU HA H 33 4.609 4.609 4.386 0.223 19562 115 1 . 1 1 33 33 LEU CA C 33 52.925 52.925 54.304 -1.379 19562 116 1 . 1 1 33 33 LEU CB C 33 40.756 40.756 41.504 -0.748 19562 117 1 . 1 1 33 33 LEU H H 33 8.817 8.817 8.366 0.451 19562 118 1 . 1 1 34 34 GLY N N 34 108.970 108.970 105.933 3.037 19562 119 1 . 1 1 34 34 GLY CA C 34 44.989 44.989 44.616 0.373 19562 120 1 . 1 1 34 34 GLY H H 34 8.228 8.228 7.662 0.566 19562 121 1 . 1 1 35 35 SER N N 35 118.388 118.388 117.595 0.793 19562 122 1 . 1 1 35 35 SER HA H 35 5.465 5.465 4.652 0.813 19562 123 1 . 1 1 35 35 SER CA C 35 57.205 57.205 58.080 -0.875 19562 124 1 . 1 1 35 35 SER CB C 35 65.393 65.393 63.976 1.417 19562 125 1 . 1 1 35 35 SER H H 35 8.776 8.776 8.378 0.398 19562 126 1 . 1 1 36 36 GLY N N 36 109.081 109.081 110.286 -1.205 19562 127 1 . 1 1 36 36 GLY CA C 36 45.485 45.485 43.501 1.984 19562 128 1 . 1 1 36 36 GLY H H 36 9.013 9.013 7.972 1.041 19562 129 1 . 1 1 37 37 ILE N N 37 121.560 121.560 118.968 2.592 19562 130 1 . 1 1 37 37 ILE HA H 37 5.104 5.104 4.632 0.472 19562 131 1 . 1 1 37 37 ILE CA C 37 58.122 58.122 59.392 -1.270 19562 132 1 . 1 1 37 37 ILE CB C 37 40.465 40.465 41.513 -1.048 19562 133 1 . 1 1 37 37 ILE H H 37 8.779 8.779 8.532 0.247 19562 134 1 . 1 1 38 38 MET N N 38 128.553 128.553 122.700 5.853 19562 135 1 . 1 1 38 38 MET HA H 38 5.735 5.735 4.850 0.885 19562 136 1 . 1 1 38 38 MET CA C 38 53.008 53.008 53.626 -0.618 19562 137 1 . 1 1 38 38 MET CB C 38 36.446 36.446 34.451 1.995 19562 138 1 . 1 1 38 38 MET H H 38 9.827 9.827 9.330 0.497 19562 139 1 . 1 1 39 39 GLU N N 39 129.378 129.378 127.885 1.493 19562 140 1 . 1 1 39 39 GLU HA H 39 5.500 5.500 4.521 0.980 19562 141 1 . 1 1 39 39 GLU CA C 39 53.455 53.455 55.539 -2.084 19562 142 1 . 1 1 39 39 GLU CB C 39 34.536 34.536 29.791 4.745 19562 143 1 . 1 1 39 39 GLU H H 39 10.160 10.160 9.169 0.991 19562 144 1 . 1 1 40 40 LEU N N 40 127.174 127.174 130.236 -3.062 19562 145 1 . 1 1 40 40 LEU HA H 40 5.078 5.078 4.431 0.647 19562 146 1 . 1 1 40 40 LEU CA C 40 54.440 54.440 54.894 -0.454 19562 147 1 . 1 1 40 40 LEU CB C 40 42.013 42.013 41.640 0.373 19562 148 1 . 1 1 40 40 LEU H H 40 8.334 8.334 8.600 -0.266 19562 149 1 . 1 1 41 41 THR N N 41 115.971 115.971 116.159 -0.188 19562 150 1 . 1 1 41 41 THR HA H 41 5.012 5.012 4.624 0.388 19562 151 1 . 1 1 41 41 THR CA C 41 59.113 59.113 59.503 -0.390 19562 152 1 . 1 1 41 41 THR CB C 41 69.295 69.295 71.016 -1.721 19562 153 1 . 1 1 41 41 THR H H 41 8.682 8.682 7.976 0.706 19562 154 1 . 1 1 42 42 ASP N N 42 117.467 117.467 118.015 -0.548 19562 155 1 . 1 1 42 42 ASP HA H 42 4.615 4.615 4.202 0.413 19562 156 1 . 1 1 42 42 ASP CA C 42 56.692 56.692 57.554 -0.862 19562 157 1 . 1 1 42 42 ASP CB C 42 39.791 39.791 40.578 -0.787 19562 158 1 . 1 1 42 42 ASP H H 42 8.794 8.794 8.638 0.156 19562 159 1 . 1 1 43 43 THR N N 43 104.010 104.010 105.705 -1.695 19562 160 1 . 1 1 43 43 THR HA H 43 4.412 4.412 3.493 0.919 19562 161 1 . 1 1 43 43 THR CA C 43 61.601 61.601 61.399 0.202 19562 162 1 . 1 1 43 43 THR CB C 43 71.362 71.362 70.638 0.724 19562 163 1 . 1 1 43 43 THR H H 43 7.763 7.763 7.352 0.411 19562 164 1 . 1 1 44 44 GLU N N 44 118.980 118.980 121.798 -2.818 19562 165 1 . 1 1 44 44 GLU HA H 44 4.170 4.170 5.008 -0.838 19562 166 1 . 1 1 44 44 GLU CA C 44 53.940 53.940 54.980 -1.040 19562 167 1 . 1 1 44 44 GLU CB C 44 33.487 33.487 33.216 0.271 19562 168 1 . 1 1 44 44 GLU H H 44 7.263 7.263 7.685 -0.422 19562 169 1 . 1 1 45 45 LEU N N 45 122.138 122.138 127.801 -5.663 19562 170 1 . 1 1 45 45 LEU HA H 45 4.972 4.972 4.792 0.180 19562 171 1 . 1 1 45 45 LEU CA C 45 53.721 53.721 54.675 -0.954 19562 172 1 . 1 1 45 45 LEU CB C 45 44.238 44.238 42.539 1.699 19562 173 1 . 1 1 45 45 LEU H H 45 8.314 8.314 9.315 -1.001 19562 174 1 . 1 1 46 46 ILE N N 46 124.244 124.244 126.493 -2.250 19562 175 1 . 1 1 46 46 ILE HA H 46 4.724 4.724 4.495 0.229 19562 176 1 . 1 1 46 46 ILE CA C 46 60.310 60.310 58.945 1.365 19562 177 1 . 1 1 46 46 ILE CB C 46 40.490 40.490 36.286 4.204 19562 178 1 . 1 1 46 46 ILE H H 46 9.154 9.154 9.104 0.049 19562 179 1 . 1 1 47 47 LEU N N 47 127.510 127.510 131.347 -3.837 19562 180 1 . 1 1 47 47 LEU HA H 47 5.266 5.266 4.935 0.331 19562 181 1 . 1 1 47 47 LEU CA C 47 52.706 52.706 54.274 -1.568 19562 182 1 . 1 1 47 47 LEU CB C 47 45.736 45.736 43.012 2.724 19562 183 1 . 1 1 47 47 LEU H H 47 9.378 9.378 8.474 0.904 19562 184 1 . 1 1 48 48 TYR N N 48 128.014 128.014 127.171 0.843 19562 185 1 . 1 1 48 48 TYR HA H 48 5.034 5.034 4.745 0.289 19562 186 1 . 1 1 48 48 TYR CA C 48 56.437 56.437 56.340 0.097 19562 187 1 . 1 1 48 48 TYR CB C 48 38.791 38.791 36.963 1.828 19562 188 1 . 1 1 48 48 TYR H H 48 9.724 9.724 8.857 0.867 19562 189 1 . 1 1 49 49 THR N N 49 115.097 115.097 117.220 -2.123 19562 190 1 . 1 1 49 49 THR HA H 49 4.813 4.813 4.498 0.315 19562 191 1 . 1 1 49 49 THR CA C 49 60.349 60.349 61.032 -0.683 19562 192 1 . 1 1 49 49 THR CB C 49 70.967 70.967 70.309 0.658 19562 193 1 . 1 1 49 49 THR H H 49 8.659 8.659 7.959 0.700 19562 194 1 . 1 1 50 50 ARG N N 50 120.411 120.411 120.674 -0.263 19562 195 1 . 1 1 50 50 ARG HA H 50 4.199 4.199 4.238 -0.039 19562 196 1 . 1 1 50 50 ARG CA C 50 57.447 57.447 58.718 -1.271 19562 197 1 . 1 1 50 50 ARG CB C 50 29.774 29.774 30.268 -0.494 19562 198 1 . 1 1 50 50 ARG H H 50 8.649 8.649 8.819 -0.170 19562 199 1 . 1 1 51 51 LYS N N 51 117.579 117.579 117.294 0.285 19562 200 1 . 1 1 51 51 LYS HA H 51 4.163 4.163 4.495 -0.332 19562 201 1 . 1 1 51 51 LYS CA C 51 56.678 56.678 56.331 0.347 19562 202 1 . 1 1 51 51 LYS CB C 51 31.357 31.357 32.574 -1.217 19562 203 1 . 1 1 51 51 LYS H H 51 8.406 8.406 8.153 0.253 19562 204 1 . 1 1 52 52 ARG N N 52 116.662 116.662 121.145 -4.483 19562 205 1 . 1 1 52 52 ARG HA H 52 4.442 4.442 4.326 0.116 19562 206 1 . 1 1 52 52 ARG CA C 52 55.305 55.305 56.378 -1.073 19562 207 1 . 1 1 52 52 ARG CB C 52 30.750 30.750 30.099 0.650 19562 208 1 . 1 1 52 52 ARG H H 52 7.973 7.973 7.920 0.053 19562 209 1 . 1 1 53 53 ASP N N 53 119.760 119.760 115.646 4.114 19562 210 1 . 1 1 53 53 ASP HA H 53 4.760 4.760 4.390 0.370 19562 211 1 . 1 1 53 53 ASP CA C 53 53.891 53.891 54.896 -1.005 19562 212 1 . 1 1 53 53 ASP CB C 53 41.007 41.007 41.282 -0.275 19562 213 1 . 1 1 53 53 ASP H H 53 8.066 8.066 7.847 0.219 19562 214 1 . 1 1 54 54 SER N N 54 116.756 116.756 115.987 0.769 19562 215 1 . 1 1 54 54 SER HA H 54 4.891 4.891 4.293 0.598 19562 216 1 . 1 1 54 54 SER CA C 54 57.072 57.072 59.304 -2.232 19562 217 1 . 1 1 54 54 SER CB C 54 64.473 64.473 61.692 2.781 19562 218 1 . 1 1 54 54 SER H H 54 8.477 8.477 8.313 0.164 19562 219 1 . 1 1 55 55 VAL N N 55 122.716 122.716 124.863 -2.147 19562 220 1 . 1 1 55 55 VAL HA H 55 3.948 3.948 3.903 0.045 19562 221 1 . 1 1 55 55 VAL CA C 55 60.456 60.456 63.124 -2.668 19562 222 1 . 1 1 55 55 VAL CB C 55 33.538 33.538 32.832 0.706 19562 223 1 . 1 1 55 55 VAL H H 55 8.334 8.334 8.998 -0.664 19562 224 1 . 1 1 56 56 LYS N N 56 121.568 121.568 120.127 1.441 19562 225 1 . 1 1 56 56 LYS HA H 56 5.271 5.271 4.941 0.330 19562 226 1 . 1 1 56 56 LYS CA C 56 53.691 53.691 54.388 -0.697 19562 227 1 . 1 1 56 56 LYS CB C 56 35.803 35.803 35.053 0.750 19562 228 1 . 1 1 56 56 LYS H H 56 7.501 7.501 7.988 -0.487 19562 229 1 . 1 1 57 57 TRP N N 57 123.638 123.638 122.891 0.747 19562 230 1 . 1 1 57 57 TRP HA H 57 4.665 4.665 4.831 -0.166 19562 231 1 . 1 1 57 57 TRP CA C 57 57.762 57.762 56.294 1.468 19562 232 1 . 1 1 57 57 TRP CB C 57 31.550 31.550 31.032 0.518 19562 233 1 . 1 1 57 57 TRP H H 57 9.453 9.453 8.775 0.678 19562 234 1 . 1 1 58 58 HIS N N 58 125.312 125.312 126.119 -0.807 19562 235 1 . 1 1 58 58 HIS HA H 58 4.539 4.539 5.117 -0.578 19562 236 1 . 1 1 58 58 HIS CA C 58 57.184 57.184 57.396 -0.212 19562 237 1 . 1 1 58 58 HIS CB C 58 30.325 30.325 31.410 -1.085 19562 238 1 . 1 1 58 58 HIS H H 58 9.024 9.024 8.804 0.220 19562 239 1 . 1 1 59 59 TYR N N 59 126.691 126.691 125.157 1.534 19562 240 1 . 1 1 59 59 TYR HA H 59 4.352 4.352 4.235 0.117 19562 241 1 . 1 1 59 59 TYR CA C 59 59.699 59.699 59.773 -0.074 19562 242 1 . 1 1 59 59 TYR CB C 59 36.527 36.527 38.187 -1.660 19562 243 1 . 1 1 59 59 TYR H H 59 8.079 8.079 8.789 -0.710 19562 244 1 . 1 1 60 60 LEU N N 60 114.859 114.859 118.207 -3.348 19562 245 1 . 1 1 60 60 LEU HA H 60 4.237 4.237 4.378 -0.142 19562 246 1 . 1 1 60 60 LEU CA C 60 56.099 56.099 55.403 0.696 19562 247 1 . 1 1 60 60 LEU CB C 60 40.554 40.554 40.402 0.152 19562 248 1 . 1 1 60 60 LEU H H 60 9.307 9.307 8.064 1.243 19562 249 1 . 1 1 61 61 CYS N N 61 114.415 114.415 116.346 -1.931 19562 250 1 . 1 1 61 61 CYS HA H 61 5.246 5.246 4.594 0.652 19562 251 1 . 1 1 61 61 CYS CA C 61 57.433 57.433 58.221 -0.788 19562 252 1 . 1 1 61 61 CYS CB C 61 28.066 28.066 30.484 -2.418 19562 253 1 . 1 1 61 61 CYS H H 61 8.421 8.421 7.726 0.695 19562 254 1 . 1 1 62 62 LEU N N 62 122.413 122.413 123.424 -1.011 19562 255 1 . 1 1 62 62 LEU HA H 62 4.747 4.747 4.263 0.484 19562 256 1 . 1 1 62 62 LEU CA C 62 54.438 54.438 56.163 -1.725 19562 257 1 . 1 1 62 62 LEU CB C 62 41.039 41.039 40.346 0.693 19562 258 1 . 1 1 62 62 LEU H H 62 7.702 7.702 7.438 0.264 19562 259 1 . 1 1 63 63 ARG N N 63 122.839 122.839 122.468 0.371 19562 260 1 . 1 1 63 63 ARG H H 63 9.301 9.301 8.985 0.316 19562 261 1 . 1 1 64 64 ARG N N 64 111.512 111.512 116.955 -5.443 19562 262 1 . 1 1 64 64 ARG HA H 64 5.486 5.486 4.677 0.809 19562 263 1 . 1 1 64 64 ARG CA C 64 53.645 53.645 55.115 -1.470 19562 264 1 . 1 1 64 64 ARG CB C 64 35.005 35.005 32.357 2.648 19562 265 1 . 1 1 64 64 ARG H H 64 7.457 7.457 7.661 -0.204 19562 266 1 . 1 1 65 65 TYR N N 65 115.127 115.127 118.179 -3.052 19562 267 1 . 1 1 65 65 TYR HA H 65 5.540 5.540 5.154 0.386 19562 268 1 . 1 1 65 65 TYR CA C 65 56.189 56.189 55.901 0.288 19562 269 1 . 1 1 65 65 TYR CB C 65 39.514 39.514 40.623 -1.109 19562 270 1 . 1 1 65 65 TYR H H 65 8.340 8.340 8.454 -0.114 19562 271 1 . 1 1 66 66 GLY N N 66 104.938 104.938 108.719 -3.781 19562 272 1 . 1 1 66 66 GLY CA C 66 45.900 45.900 43.551 2.349 19562 273 1 . 1 1 66 66 GLY H H 66 8.950 8.950 8.666 0.284 19562 274 1 . 1 1 67 67 TYR N N 67 117.143 117.143 119.974 -2.831 19562 275 1 . 1 1 67 67 TYR HA H 67 5.562 5.562 5.543 0.019 19562 276 1 . 1 1 67 67 TYR CA C 67 55.485 55.485 56.938 -1.453 19562 277 1 . 1 1 67 67 TYR CB C 67 43.347 43.347 41.335 2.012 19562 278 1 . 1 1 67 67 TYR H H 67 8.022 8.022 7.943 0.079 19562 279 1 . 1 1 68 68 ASP N N 68 119.290 119.290 126.975 -7.685 19562 280 1 . 1 1 68 68 ASP HA H 68 3.830 3.830 4.141 -0.311 19562 281 1 . 1 1 68 68 ASP CA C 68 55.442 55.442 52.712 2.730 19562 282 1 . 1 1 68 68 ASP CB C 68 46.016 46.016 42.790 3.226 19562 283 1 . 1 1 68 68 ASP H H 68 8.656 8.656 9.073 -0.417 19562 284 1 . 1 1 69 69 SER N N 69 119.561 119.561 119.836 -0.275 19562 285 1 . 1 1 69 69 SER HA H 69 4.040 4.040 4.188 -0.148 19562 286 1 . 1 1 69 69 SER CB C 69 59.170 59.170 62.012 -2.842 19562 287 1 . 1 1 69 69 SER H H 69 8.957 8.957 8.581 0.376 19562 288 1 . 1 1 70 70 ASN N N 70 119.438 119.438 113.750 5.688 19562 289 1 . 1 1 70 70 ASN HA H 70 5.132 5.132 4.515 0.617 19562 290 1 . 1 1 70 70 ASN CA C 70 51.988 51.988 54.406 -2.418 19562 291 1 . 1 1 70 70 ASN CB C 70 37.278 37.278 37.144 0.134 19562 292 1 . 1 1 70 70 ASN H H 70 8.502 8.502 8.792 -0.290 19562 293 1 . 1 1 71 71 LEU N N 71 120.481 120.481 119.353 1.128 19562 294 1 . 1 1 71 71 LEU HA H 71 5.565 5.565 4.881 0.684 19562 295 1 . 1 1 71 71 LEU CA C 71 53.451 53.451 54.010 -0.559 19562 296 1 . 1 1 71 71 LEU CB C 71 45.736 45.736 44.075 1.661 19562 297 1 . 1 1 71 71 LEU H H 71 8.807 8.807 8.052 0.755 19562 298 1 . 1 1 72 72 PHE N N 72 120.815 120.815 127.120 -6.305 19562 299 1 . 1 1 72 72 PHE HA H 72 5.527 5.527 5.437 0.090 19562 300 1 . 1 1 72 72 PHE CA C 72 55.184 55.184 55.392 -0.208 19562 301 1 . 1 1 72 72 PHE CB C 72 43.863 43.863 42.621 1.242 19562 302 1 . 1 1 72 72 PHE H H 72 9.439 9.439 9.700 -0.261 19562 303 1 . 1 1 73 73 SER N N 73 120.270 120.270 118.775 1.495 19562 304 1 . 1 1 73 73 SER HA H 73 5.387 5.387 4.362 1.025 19562 305 1 . 1 1 73 73 SER CA C 73 54.994 54.994 55.164 -0.170 19562 306 1 . 1 1 73 73 SER CB C 73 66.409 66.409 65.626 0.783 19562 307 1 . 1 1 73 73 SER H H 73 8.597 8.597 8.167 0.430 19562 308 1 . 1 1 74 74 PHE N N 74 117.157 117.157 116.437 0.720 19562 309 1 . 1 1 74 74 PHE HA H 74 5.261 5.261 5.280 -0.019 19562 310 1 . 1 1 74 74 PHE CA C 74 55.699 55.699 55.912 -0.213 19562 311 1 . 1 1 74 74 PHE CB C 74 41.903 41.903 41.317 0.586 19562 312 1 . 1 1 74 74 PHE H H 74 8.050 8.050 7.944 0.106 19562 313 1 . 1 1 75 75 GLU HA H 75 5.736 5.736 4.930 0.806 19562 314 1 . 1 1 75 75 GLU CA C 75 51.709 51.709 54.740 -3.031 19562 315 1 . 1 1 75 75 GLU CB C 75 31.820 31.820 31.140 0.680 19562 316 1 . 1 1 76 76 SER N N 76 123.656 123.656 123.131 0.525 19562 317 1 . 1 1 76 76 SER HA H 76 5.243 5.243 5.256 -0.013 19562 318 1 . 1 1 76 76 SER CA C 76 56.906 56.906 57.055 -0.149 19562 319 1 . 1 1 76 76 SER CB C 76 67.886 67.886 64.329 3.557 19562 320 1 . 1 1 76 76 SER H H 76 9.930 9.930 8.916 1.014 19562 321 1 . 1 1 77 77 GLY N N 77 105.906 105.906 111.782 -5.876 19562 322 1 . 1 1 77 77 GLY CA C 77 45.000 45.000 45.049 -0.049 19562 323 1 . 1 1 77 77 GLY H H 77 8.939 8.939 9.042 -0.103 19562 324 1 . 1 1 78 78 ARG N N 78 114.676 114.676 119.093 -4.417 19562 325 1 . 1 1 78 78 ARG HA H 78 4.017 4.017 4.508 -0.491 19562 326 1 . 1 1 78 78 ARG H H 78 9.680 9.680 7.729 1.951 19562 327 1 . 1 1 79 79 ARG N N 79 121.801 121.801 120.503 1.298 19562 328 1 . 1 1 79 79 ARG HA H 79 4.573 4.573 4.322 0.251 19562 329 1 . 1 1 79 79 ARG CA C 79 54.928 54.928 56.798 -1.870 19562 330 1 . 1 1 79 79 ARG CB C 79 27.070 27.070 30.612 -3.542 19562 331 1 . 1 1 79 79 ARG H H 79 9.389 9.389 8.529 0.860 19562 332 1 . 1 1 80 80 CYS N N 80 113.901 113.901 118.640 -4.739 19562 333 1 . 1 1 80 80 CYS HA H 80 4.888 4.888 4.571 0.317 19562 334 1 . 1 1 80 80 CYS CA C 80 55.965 55.965 57.159 -1.194 19562 335 1 . 1 1 80 80 CYS CB C 80 29.598 29.598 30.702 -1.104 19562 336 1 . 1 1 80 80 CYS H H 80 7.994 7.994 8.216 -0.222 19562 337 1 . 1 1 81 81 GLN N N 81 122.839 122.839 121.742 1.098 19562 338 1 . 1 1 81 81 GLN HA H 81 4.096 4.096 4.013 0.083 19562 339 1 . 1 1 81 81 GLN CA C 81 58.939 58.939 58.569 0.370 19562 340 1 . 1 1 81 81 GLN CB C 81 28.340 28.340 28.978 -0.638 19562 341 1 . 1 1 81 81 GLN H H 81 8.950 8.950 8.725 0.225 19562 342 1 . 1 1 82 82 THR N N 82 107.297 107.297 109.504 -2.207 19562 343 1 . 1 1 82 82 THR HA H 82 4.207 4.207 4.422 -0.215 19562 344 1 . 1 1 82 82 THR CA C 82 63.147 63.147 61.419 1.728 19562 345 1 . 1 1 82 82 THR CB C 82 70.591 70.591 68.901 1.690 19562 346 1 . 1 1 82 82 THR H H 82 8.345 8.345 8.063 0.282 19562 347 1 . 1 1 83 83 GLY N N 83 112.681 112.681 109.925 2.756 19562 348 1 . 1 1 83 83 GLY CA C 83 43.994 43.994 45.631 -1.637 19562 349 1 . 1 1 83 83 GLY H H 83 7.820 7.820 7.966 -0.146 19562 350 1 . 1 1 84 84 GLN N N 84 119.972 119.972 118.940 1.032 19562 351 1 . 1 1 84 84 GLN H H 84 8.622 8.622 8.581 0.041 19562 352 1 . 1 1 85 85 GLY N N 85 111.040 111.040 105.733 5.307 19562 353 1 . 1 1 85 85 GLY H H 85 8.056 8.056 7.942 0.114 19562 354 1 . 1 1 86 86 ILE N N 86 121.645 121.645 124.453 -2.808 19562 355 1 . 1 1 86 86 ILE HA H 86 4.286 4.286 4.277 0.009 19562 356 1 . 1 1 86 86 ILE CA C 86 60.162 60.162 61.859 -1.697 19562 357 1 . 1 1 86 86 ILE CB C 86 38.542 38.542 36.406 2.136 19562 358 1 . 1 1 86 86 ILE H H 86 8.021 8.021 8.279 -0.258 19562 359 1 . 1 1 87 87 PHE N N 87 123.890 123.890 129.883 -5.993 19562 360 1 . 1 1 87 87 PHE HA H 87 4.626 4.626 4.535 0.091 19562 361 1 . 1 1 87 87 PHE CA C 87 54.944 54.944 54.681 0.263 19562 362 1 . 1 1 87 87 PHE CB C 87 42.003 42.003 41.354 0.649 19562 363 1 . 1 1 87 87 PHE H H 87 8.476 8.476 8.862 -0.386 19562 364 1 . 1 1 88 88 ALA N N 88 124.824 124.824 128.870 -4.046 19562 365 1 . 1 1 88 88 ALA HA H 88 5.281 5.281 4.052 1.229 19562 366 1 . 1 1 88 88 ALA CA C 88 50.204 50.204 49.656 0.548 19562 367 1 . 1 1 88 88 ALA CB C 88 22.335 22.335 21.228 1.107 19562 368 1 . 1 1 88 88 ALA H H 88 9.149 9.149 8.077 1.072 19562 369 1 . 1 1 89 89 PHE N N 89 118.047 118.047 118.629 -0.582 19562 370 1 . 1 1 89 89 PHE HA H 89 5.445 5.445 4.934 0.511 19562 371 1 . 1 1 89 89 PHE CA C 89 55.705 55.705 55.799 -0.094 19562 372 1 . 1 1 89 89 PHE CB C 89 43.496 43.496 42.814 0.682 19562 373 1 . 1 1 89 89 PHE H H 89 9.423 9.423 8.974 0.449 19562 374 1 . 1 1 90 90 LYS N N 90 122.937 122.937 125.058 -2.121 19562 375 1 . 1 1 90 90 LYS HA H 90 5.505 5.505 4.570 0.935 19562 376 1 . 1 1 90 90 LYS CA C 90 54.828 54.828 56.292 -1.464 19562 377 1 . 1 1 90 90 LYS CB C 90 34.013 34.013 31.681 2.332 19562 378 1 . 1 1 90 90 LYS H H 90 9.943 9.943 9.078 0.865 19562 379 1 . 1 1 91 91 CYS N N 91 126.115 126.115 123.165 2.950 19562 380 1 . 1 1 91 91 CYS HA H 91 4.753 4.753 4.614 0.139 19562 381 1 . 1 1 91 91 CYS CA C 91 58.175 58.175 57.131 1.044 19562 382 1 . 1 1 91 91 CYS CB C 91 28.809 28.809 29.496 -0.687 19562 383 1 . 1 1 91 91 CYS H H 91 9.689 9.689 8.357 1.332 19562 384 1 . 1 1 92 92 ALA HA H 92 4.431 4.431 4.244 0.187 19562 385 1 . 1 1 92 92 ALA CA C 92 54.710 54.710 54.216 0.494 19562 386 1 . 1 1 92 92 ALA CB C 92 17.863 17.863 18.575 -0.712 19562 387 1 . 1 1 93 93 ARG N N 93 117.248 117.248 118.121 -0.873 19562 388 1 . 1 1 93 93 ARG HA H 93 5.012 5.012 4.215 0.797 19562 389 1 . 1 1 93 93 ARG CA C 93 53.957 53.957 53.377 0.581 19562 390 1 . 1 1 93 93 ARG CB C 93 30.803 30.803 27.805 2.998 19562 391 1 . 1 1 93 93 ARG H H 93 7.964 7.964 7.667 0.297 19562 392 1 . 1 1 94 94 ALA N N 94 122.369 122.369 124.166 -1.797 19562 393 1 . 1 1 94 94 ALA HA H 94 3.523 3.523 3.986 -0.463 19562 394 1 . 1 1 94 94 ALA CA C 94 55.971 55.971 56.524 -0.553 19562 395 1 . 1 1 94 94 ALA CB C 94 18.096 18.096 18.819 -0.723 19562 396 1 . 1 1 94 94 ALA H H 94 7.310 7.310 8.214 -0.904 19562 397 1 . 1 1 95 95 GLU N N 95 116.205 116.205 118.067 -1.862 19562 398 1 . 1 1 95 95 GLU HA H 95 2.480 2.480 2.812 -0.332 19562 399 1 . 1 1 95 95 GLU CA C 95 58.696 58.696 59.146 -0.450 19562 400 1 . 1 1 95 95 GLU CB C 95 29.061 29.061 27.736 1.325 19562 401 1 . 1 1 95 95 GLU H H 95 8.376 8.376 8.571 -0.195 19562 402 1 . 1 1 96 96 GLU N N 96 119.188 119.188 120.354 -1.166 19562 403 1 . 1 1 96 96 GLU HA H 96 3.967 3.967 4.040 -0.073 19562 404 1 . 1 1 96 96 GLU CA C 96 58.900 58.900 58.499 0.401 19562 405 1 . 1 1 96 96 GLU CB C 96 30.030 30.030 29.075 0.955 19562 406 1 . 1 1 96 96 GLU H H 96 7.418 7.418 7.898 -0.480 19562 407 1 . 1 1 97 97 LEU N N 97 123.654 123.654 120.778 2.876 19562 408 1 . 1 1 97 97 LEU HA H 97 3.014 3.014 4.130 -1.116 19562 409 1 . 1 1 97 97 LEU CA C 97 58.719 58.719 58.459 0.260 19562 410 1 . 1 1 97 97 LEU CB C 97 41.013 41.013 41.892 -0.878 19562 411 1 . 1 1 97 97 LEU H H 97 7.847 7.847 8.599 -0.752 19562 412 1 . 1 1 98 98 PHE N N 98 118.746 118.746 119.499 -0.753 19562 413 1 . 1 1 98 98 PHE HA H 98 3.793 3.793 4.316 -0.523 19562 414 1 . 1 1 98 98 PHE CA C 98 61.696 61.696 61.513 0.183 19562 415 1 . 1 1 98 98 PHE H H 98 8.076 8.076 9.119 -1.043 19562 416 1 . 1 1 99 99 ASN N N 99 117.017 117.017 118.403 -1.386 19562 417 1 . 1 1 99 99 ASN HA H 99 4.220 4.220 4.128 0.092 19562 418 1 . 1 1 99 99 ASN CA C 99 55.466 55.466 55.956 -0.490 19562 419 1 . 1 1 99 99 ASN CB C 99 37.281 37.281 38.332 -1.051 19562 420 1 . 1 1 99 99 ASN H H 99 8.622 8.622 8.234 0.389 19562 421 1 . 1 1 100 100 MET N N 100 121.914 121.914 120.161 1.753 19562 422 1 . 1 1 100 100 MET HA H 100 4.061 4.061 4.120 -0.059 19562 423 1 . 1 1 100 100 MET CA C 100 58.699 58.699 59.175 -0.476 19562 424 1 . 1 1 100 100 MET CB C 100 32.048 32.048 32.605 -0.557 19562 425 1 . 1 1 100 100 MET H H 100 8.316 8.316 8.486 -0.170 19562 426 1 . 1 1 101 101 LEU N N 101 121.094 121.094 120.343 0.751 19562 427 1 . 1 1 101 101 LEU HA H 101 3.580 3.580 4.082 -0.502 19562 428 1 . 1 1 101 101 LEU CA C 101 57.426 57.426 58.114 -0.688 19562 429 1 . 1 1 101 101 LEU CB C 101 41.100 41.100 41.419 -0.319 19562 430 1 . 1 1 101 101 LEU H H 101 8.047 8.047 8.731 -0.684 19562 431 1 . 1 1 102 102 GLN N N 102 116.417 116.417 117.344 -0.927 19562 432 1 . 1 1 102 102 GLN HA H 102 3.914 3.914 4.090 -0.176 19562 433 1 . 1 1 102 102 GLN CA C 102 58.446 58.446 58.936 -0.490 19562 434 1 . 1 1 102 102 GLN CB C 102 28.687 28.687 28.273 0.414 19562 435 1 . 1 1 102 102 GLN H H 102 8.195 8.195 8.476 -0.281 19562 436 1 . 1 1 103 103 GLU N N 103 119.096 119.096 120.350 -1.254 19562 437 1 . 1 1 103 103 GLU HA H 103 3.908 3.908 4.122 -0.214 19562 438 1 . 1 1 103 103 GLU CA C 103 58.917 58.917 58.930 -0.013 19562 439 1 . 1 1 103 103 GLU CB C 103 29.061 29.061 29.462 -0.401 19562 440 1 . 1 1 103 103 GLU H H 103 7.635 7.635 8.421 -0.786 19562 441 1 . 1 1 104 104 ILE N N 104 120.803 120.803 121.499 -0.696 19562 442 1 . 1 1 104 104 ILE HA H 104 3.601 3.601 3.638 -0.036 19562 443 1 . 1 1 104 104 ILE CA C 104 64.710 64.710 65.681 -0.971 19562 444 1 . 1 1 104 104 ILE CB C 104 38.050 38.050 37.826 0.224 19562 445 1 . 1 1 104 104 ILE H H 104 7.965 7.965 8.798 -0.833 19562 446 1 . 1 1 105 105 MET N N 105 117.016 117.016 118.415 -1.399 19562 447 1 . 1 1 105 105 MET HA H 105 4.020 4.020 4.145 -0.125 19562 448 1 . 1 1 105 105 MET CA C 105 57.384 57.384 59.690 -2.306 19562 449 1 . 1 1 105 105 MET H H 105 8.145 8.145 8.537 -0.392 19562 450 1 . 1 1 106 106 GLN N N 106 116.150 116.150 117.222 -1.071 19562 451 1 . 1 1 106 106 GLN HA H 106 4.203 4.203 4.117 0.086 19562 452 1 . 1 1 106 106 GLN CA C 106 56.641 56.641 58.404 -1.763 19562 453 1 . 1 1 106 106 GLN CB C 106 28.113 28.113 28.648 -0.535 19562 454 1 . 1 1 106 106 GLN H H 106 7.930 7.930 8.143 -0.213 19562 455 1 . 1 1 107 107 ASN N N 107 117.360 117.360 114.593 2.766 19562 456 1 . 1 1 107 107 ASN HA H 107 4.720 4.720 4.756 -0.036 19562 457 1 . 1 1 107 107 ASN CA C 107 53.497 53.497 54.531 -1.034 19562 458 1 . 1 1 107 107 ASN CB C 107 38.559 38.559 39.615 -1.056 19562 459 1 . 1 1 107 107 ASN H H 107 7.872 7.872 8.331 -0.459 19562 460 1 . 1 1 108 108 ASN N N 108 118.611 118.611 117.439 1.172 19562 461 1 . 1 1 108 108 ASN HA H 108 4.760 4.760 4.839 -0.079 19562 462 1 . 1 1 108 108 ASN CA C 108 52.700 52.700 54.236 -1.536 19562 463 1 . 1 1 108 108 ASN CB C 108 38.518 38.518 40.173 -1.655 19562 464 1 . 1 1 108 108 ASN H H 108 8.144 8.144 8.342 -0.198 19562 465 1 . 1 1 109 109 SER N N 109 115.704 115.704 113.206 2.498 19562 466 1 . 1 1 109 109 SER HA H 109 4.519 4.519 4.105 0.414 19562 467 1 . 1 1 109 109 SER CA C 109 57.700 57.700 60.596 -2.896 19562 468 1 . 1 1 109 109 SER CB C 109 63.150 63.150 62.839 0.311 19562 469 1 . 1 1 109 109 SER H H 109 8.215 8.215 7.950 0.265 19562 470 1 . 1 1 110 110 ILE N N 110 121.954 121.954 120.113 1.841 19562 471 1 . 1 1 110 110 ILE HA H 110 4.212 4.212 3.721 0.491 19562 472 1 . 1 1 110 110 ILE CA C 110 60.886 60.886 62.303 -1.417 19562 473 1 . 1 1 110 110 ILE CB C 110 38.235 38.235 36.864 1.371 19562 474 1 . 1 1 110 110 ILE H H 110 8.061 8.061 7.884 0.177 19562 475 1 . 1 1 111 111 ASN N N 111 122.386 122.386 123.575 -1.189 19562 476 1 . 1 1 111 111 ASN HA H 111 4.782 4.782 4.989 -0.207 19562 477 1 . 1 1 111 111 ASN CA C 111 52.734 52.734 52.490 0.244 19562 478 1 . 1 1 111 111 ASN CB C 111 38.800 38.800 40.951 -2.151 19562 479 1 . 1 1 111 111 ASN H H 111 8.376 8.376 8.383 -0.007 19562 480 1 . 1 1 112 112 VAL N N 112 120.830 120.830 123.954 -3.124 19562 481 1 . 1 1 112 112 VAL HA H 112 4.185 4.185 4.152 0.033 19562 482 1 . 1 1 112 112 VAL CA C 112 61.660 61.660 62.818 -1.158 19562 483 1 . 1 1 112 112 VAL CB C 112 32.330 32.330 31.455 0.875 19562 484 1 . 1 1 112 112 VAL H H 112 8.067 8.067 8.517 -0.450 19562 485 1 . 1 1 113 113 VAL N N 113 124.249 124.249 120.021 4.228 19562 486 1 . 1 1 113 113 VAL HA H 113 4.115 4.115 3.887 0.228 19562 487 1 . 1 1 113 113 VAL CA C 113 61.450 61.450 62.727 -1.277 19562 488 1 . 1 1 113 113 VAL CB C 113 32.345 32.345 33.097 -0.752 19562 489 1 . 1 1 113 113 VAL H H 113 8.167 8.167 7.567 0.600 19562 490 1 . 1 1 114 114 GLU N N 114 125.288 125.288 119.507 5.781 19562 491 1 . 1 1 114 114 GLU HA H 114 4.309 4.309 4.083 0.226 19562 492 1 . 1 1 114 114 GLU CA C 114 55.690 55.690 57.118 -1.428 19562 493 1 . 1 1 114 114 GLU CB C 114 30.050 30.050 29.140 0.910 19562 494 1 . 1 1 114 114 GLU H H 114 8.405 8.405 8.338 0.067 19562 495 1 . 1 1 115 115 GLU N N 115 123.990 123.990 121.783 2.207 19562 496 1 . 1 1 115 115 GLU HA H 115 4.563 4.563 4.499 0.064 19562 497 1 . 1 1 115 115 GLU CA C 115 53.725 53.725 54.636 -0.911 19562 498 1 . 1 1 115 115 GLU CB C 115 29.435 29.435 30.096 -0.660 19562 499 1 . 1 1 115 115 GLU H H 115 8.392 8.392 8.283 0.109 19562 500 1 . 1 1 116 116 PRO HA H 116 4.430 4.430 4.373 0.057 19562 501 1 . 1 1 116 116 PRO CA C 116 62.670 62.670 62.877 -0.207 19562 502 1 . 1 1 116 116 PRO CB C 116 31.655 31.655 30.576 1.080 19562 503 1 . 1 1 117 117 VAL N N 117 121.339 121.339 115.798 5.541 19562 504 1 . 1 1 117 117 VAL HA H 117 4.076 4.076 3.769 0.307 19562 505 1 . 1 1 117 117 VAL CA C 117 61.990 61.990 62.197 -0.207 19562 506 1 . 1 1 117 117 VAL CB C 117 31.820 31.820 31.807 0.013 19562 507 1 . 1 1 117 117 VAL H H 117 8.266 8.266 7.984 0.282 19562 508 1 . 1 1 118 118 VAL N N 118 124.762 124.762 126.383 -1.621 19562 509 1 . 1 1 118 118 VAL HA H 118 4.116 4.116 3.950 0.166 19562 510 1 . 1 1 118 118 VAL H H 118 8.202 8.202 8.355 -0.153 19562 511 1 . 1 1 119 119 GLU N N 119 125.304 125.304 125.633 -0.329 19562 512 1 . 1 1 119 119 GLU H H 119 8.479 8.479 8.679 -0.200 19562 513 1 . 1 1 120 120 ARG HA H 120 4.395 4.395 4.180 0.215 19562 514 1 . 1 1 120 120 ARG CA C 120 55.350 55.350 56.670 -1.320 19562 515 1 . 1 1 120 120 ARG CB C 120 30.565 30.565 29.713 0.852 19562 516 1 . 1 1 121 121 ASN N N 121 120.465 120.465 119.624 0.841 19562 517 1 . 1 1 121 121 ASN HA H 121 4.754 4.754 4.653 0.100 19562 518 1 . 1 1 121 121 ASN H H 121 8.536 8.536 8.484 0.052 19562 stop_ save_