data_25461 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25461 _Entry.PDB_ID 2MYX 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 25461 _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 42 42 ALA HA H 42 4.357 4.357 5.138 -0.781 25461 2 1 1 . 1 1 42 42 ALA C C 42 177.825 177.825 177.608 0.217 25461 3 1 1 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.942 -0.268 25461 4 1 1 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.608 -0.156 25461 5 1 1 . 1 1 43 43 MET N N 43 119.667 119.667 115.946 3.721 25461 6 1 1 . 1 1 43 43 MET HA H 43 4.549 4.549 5.196 -0.647 25461 7 1 1 . 1 1 43 43 MET C C 43 176.478 176.478 175.546 0.932 25461 8 1 1 . 1 1 43 43 MET CA C 43 55.344 55.344 55.166 0.178 25461 9 1 1 . 1 1 43 43 MET CB C 43 33.129 33.129 35.389 -2.260 25461 10 1 1 . 1 1 43 43 MET H H 43 8.507 8.507 9.411 -0.904 25461 11 1 1 . 1 1 44 44 GLY N N 44 110.244 110.244 109.350 0.894 25461 12 1 1 . 1 1 44 44 GLY C C 44 172.009 172.009 172.764 -0.755 25461 13 1 1 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.855 -0.213 25461 14 1 1 . 1 1 44 44 GLY H H 44 8.251 8.251 8.958 -0.707 25461 15 1 1 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.434 -0.001 25461 16 1 1 . 1 1 45 45 PRO C C 45 177.510 177.510 177.115 0.395 25461 17 1 1 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.927 0.478 25461 18 1 1 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.198 -0.092 25461 19 1 1 . 1 1 46 46 GLN N N 46 120.607 120.607 119.150 1.457 25461 20 1 1 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.013 0.333 25461 21 1 1 . 1 1 46 46 GLN C C 46 176.687 176.687 175.072 1.615 25461 22 1 1 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.968 0.089 25461 23 1 1 . 1 1 46 46 GLN CB C 46 29.423 29.423 28.229 1.194 25461 24 1 1 . 1 1 46 46 GLN H H 46 8.628 8.628 8.240 0.388 25461 25 1 1 . 1 1 47 47 GLY N N 47 110.011 110.011 109.513 0.498 25461 26 1 1 . 1 1 47 47 GLY C C 47 174.308 174.308 173.866 0.442 25461 27 1 1 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.973 0.461 25461 28 1 1 . 1 1 47 47 GLY H H 47 8.411 8.411 8.085 0.326 25461 29 1 1 . 1 1 48 48 SER N N 48 115.646 115.646 117.872 -2.226 25461 30 1 1 . 1 1 48 48 SER HA H 48 4.542 4.542 4.725 -0.183 25461 31 1 1 . 1 1 48 48 SER C C 48 175.288 175.288 174.816 0.472 25461 32 1 1 . 1 1 48 48 SER CA C 48 58.437 58.437 57.193 1.244 25461 33 1 1 . 1 1 48 48 SER CB C 48 63.965 63.965 64.622 -0.657 25461 34 1 1 . 1 1 48 48 SER H H 48 8.284 8.284 8.305 -0.021 25461 35 1 1 . 1 1 49 49 THR N N 49 115.928 115.928 114.770 1.158 25461 36 1 1 . 1 1 49 49 THR HA H 49 4.343 4.343 4.371 -0.028 25461 37 1 1 . 1 1 49 49 THR C C 49 174.948 174.948 175.177 -0.229 25461 38 1 1 . 1 1 49 49 THR CA C 49 62.294 62.294 62.042 0.252 25461 39 1 1 . 1 1 49 49 THR CB C 49 69.614 69.614 68.743 0.871 25461 40 1 1 . 1 1 49 49 THR H H 49 8.282 8.282 8.446 -0.164 25461 41 1 1 . 1 1 50 50 GLN N N 50 122.155 122.155 125.816 -3.661 25461 42 1 1 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.217 0.170 25461 43 1 1 . 1 1 50 50 GLN C C 50 176.071 176.071 175.696 0.375 25461 44 1 1 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.314 1.076 25461 45 1 1 . 1 1 50 50 GLN CB C 50 29.226 29.226 27.470 1.756 25461 46 1 1 . 1 1 50 50 GLN H H 50 8.401 8.401 8.691 -0.290 25461 47 1 1 . 1 1 51 51 ASN N N 51 119.604 119.604 119.846 -0.242 25461 48 1 1 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.696 -0.058 25461 49 1 1 . 1 1 51 51 ASN C C 51 175.275 175.275 174.953 0.322 25461 50 1 1 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.647 1.003 25461 51 1 1 . 1 1 51 51 ASN CB C 51 38.857 38.857 37.644 1.213 25461 52 1 1 . 1 1 51 51 ASN H H 51 8.395 8.395 7.874 0.521 25461 53 1 1 . 1 1 52 52 ALA N N 52 124.054 124.054 126.517 -2.463 25461 54 1 1 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.278 -0.016 25461 55 1 1 . 1 1 52 52 ALA C C 52 177.915 177.915 177.361 0.554 25461 56 1 1 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.756 1.335 25461 57 1 1 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.700 -0.526 25461 58 1 1 . 1 1 52 52 ALA H H 52 8.227 8.227 7.854 0.373 25461 59 1 1 . 1 1 53 53 LEU N N 53 120.325 120.325 121.272 -0.947 25461 60 1 1 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.215 0.077 25461 61 1 1 . 1 1 53 53 LEU C C 53 177.531 177.531 176.940 0.591 25461 62 1 1 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.847 0.596 25461 63 1 1 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.795 -0.588 25461 64 1 1 . 1 1 53 53 LEU H H 53 8.097 8.097 8.068 0.029 25461 65 1 1 . 1 1 54 54 ARG N N 54 121.409 121.409 123.089 -1.680 25461 66 1 1 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.161 0.172 25461 67 1 1 . 1 1 54 54 ARG C C 54 176.332 176.332 175.948 0.384 25461 68 1 1 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.523 -0.336 25461 69 1 1 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.166 0.570 25461 70 1 1 . 1 1 54 54 ARG H H 54 8.155 8.155 8.388 -0.233 25461 71 1 1 . 1 1 55 55 ARG N N 55 122.380 122.380 124.175 -1.795 25461 72 1 1 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.173 0.245 25461 73 1 1 . 1 1 55 55 ARG C C 55 176.563 176.563 176.188 0.375 25461 74 1 1 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.631 -0.342 25461 75 1 1 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.537 1.301 25461 76 1 1 . 1 1 55 55 ARG H H 55 8.389 8.389 8.338 0.051 25461 77 1 1 . 1 1 56 56 THR N N 56 114.693 114.693 116.649 -1.956 25461 78 1 1 . 1 1 56 56 THR HA H 56 4.372 4.372 4.385 -0.013 25461 79 1 1 . 1 1 56 56 THR C C 56 175.062 175.062 175.422 -0.360 25461 80 1 1 . 1 1 56 56 THR CA C 56 61.926 61.926 61.563 0.363 25461 81 1 1 . 1 1 56 56 THR CB C 56 70.016 70.016 69.544 0.472 25461 82 1 1 . 1 1 56 56 THR H H 56 8.204 8.204 7.977 0.227 25461 83 1 1 . 1 1 57 57 GLY N N 57 111.042 111.042 109.292 1.750 25461 84 1 1 . 1 1 57 57 GLY C C 57 173.868 173.868 174.792 -0.924 25461 85 1 1 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.740 -0.449 25461 86 1 1 . 1 1 57 57 GLY H H 57 8.424 8.424 8.763 -0.339 25461 87 1 1 . 1 1 58 58 ARG N N 58 120.824 120.824 120.746 0.078 25461 88 1 1 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.637 -0.251 25461 89 1 1 . 1 1 58 58 ARG C C 58 176.522 176.522 174.420 2.102 25461 90 1 1 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.938 0.173 25461 91 1 1 . 1 1 58 58 ARG CB C 58 31.074 31.074 32.066 -0.991 25461 92 1 1 . 1 1 58 58 ARG H H 58 8.232 8.232 7.943 0.289 25461 93 1 1 . 1 1 59 59 VAL N N 59 121.437 121.437 123.937 -2.500 25461 94 1 1 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.256 -0.136 25461 95 1 1 . 1 1 59 59 VAL C C 59 176.022 176.022 175.509 0.513 25461 96 1 1 . 1 1 59 59 VAL CA C 59 62.413 62.413 61.600 0.813 25461 97 1 1 . 1 1 59 59 VAL CB C 59 32.815 32.815 31.613 1.202 25461 98 1 1 . 1 1 59 59 VAL H H 59 8.307 8.307 8.287 0.020 25461 99 1 1 . 1 1 60 60 ASN N N 60 122.487 122.487 125.389 -2.902 25461 100 1 1 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.718 0.019 25461 101 1 1 . 1 1 60 60 ASN C C 60 175.521 175.521 174.919 0.602 25461 102 1 1 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.386 0.989 25461 103 1 1 . 1 1 60 60 ASN CB C 60 39.098 39.098 41.201 -2.103 25461 104 1 1 . 1 1 60 60 ASN H H 60 8.593 8.593 8.034 0.559 25461 105 1 1 . 1 1 61 61 GLY N N 61 109.681 109.681 107.769 1.912 25461 106 1 1 . 1 1 61 61 GLY C C 61 174.361 174.361 173.876 0.485 25461 107 1 1 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.947 0.552 25461 108 1 1 . 1 1 61 61 GLY H H 61 8.407 8.407 8.628 -0.221 25461 109 1 1 . 1 1 62 62 GLY N N 62 108.197 108.197 107.383 0.814 25461 110 1 1 . 1 1 62 62 GLY C C 62 173.866 173.866 172.440 1.426 25461 111 1 1 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.468 0.644 25461 112 1 1 . 1 1 62 62 GLY H H 62 8.209 8.209 7.709 0.500 25461 113 1 1 . 1 1 63 63 HIS N N 63 121.370 121.370 119.482 1.888 25461 114 1 1 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.902 -0.103 25461 115 1 1 . 1 1 63 63 HIS C C 63 173.562 173.562 173.355 0.207 25461 116 1 1 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.572 1.274 25461 117 1 1 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.794 -2.622 25461 118 1 1 . 1 1 63 63 HIS H H 63 8.587 8.587 8.066 0.521 25461 119 1 1 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.487 -0.026 25461 120 1 1 . 1 1 64 64 PRO C C 64 176.406 176.406 175.922 0.484 25461 121 1 1 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.159 -0.071 25461 122 1 1 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.820 0.183 25461 123 1 1 . 1 1 65 65 VAL N N 65 122.214 122.214 121.564 0.650 25461 124 1 1 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.680 -0.326 25461 125 1 1 . 1 1 65 65 VAL C C 65 176.217 176.217 175.404 0.813 25461 126 1 1 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.659 2.574 25461 127 1 1 . 1 1 65 65 VAL CB C 65 34.354 34.354 35.135 -0.781 25461 128 1 1 . 1 1 65 65 VAL H H 65 8.436 8.436 8.464 -0.028 25461 129 1 1 . 1 1 66 66 THR N N 66 118.215 118.215 114.015 4.200 25461 130 1 1 . 1 1 66 66 THR HA H 66 4.844 4.844 4.708 0.136 25461 131 1 1 . 1 1 66 66 THR C C 66 175.632 175.632 175.158 0.474 25461 132 1 1 . 1 1 66 66 THR CA C 66 59.250 59.250 59.861 -0.611 25461 133 1 1 . 1 1 66 66 THR CB C 66 71.632 71.632 71.152 0.480 25461 134 1 1 . 1 1 66 66 THR H H 66 7.765 7.765 7.942 -0.177 25461 135 1 1 . 1 1 67 67 THR N N 67 116.809 116.809 117.594 -0.785 25461 136 1 1 . 1 1 67 67 THR HA H 67 3.846 3.846 3.961 -0.115 25461 137 1 1 . 1 1 67 67 THR C C 67 176.323 176.323 176.278 0.045 25461 138 1 1 . 1 1 67 67 THR CA C 67 66.206 66.206 66.454 -0.248 25461 139 1 1 . 1 1 67 67 THR CB C 67 68.417 68.417 68.432 -0.015 25461 140 1 1 . 1 1 67 67 THR H H 67 8.901 8.901 8.499 0.402 25461 141 1 1 . 1 1 68 68 GLN N N 68 120.255 120.255 120.071 0.184 25461 142 1 1 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.028 0.055 25461 143 1 1 . 1 1 68 68 GLN C C 68 179.056 179.056 178.126 0.930 25461 144 1 1 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.763 0.891 25461 145 1 1 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.793 0.138 25461 146 1 1 . 1 1 68 68 GLN H H 68 8.290 8.290 8.897 -0.607 25461 147 1 1 . 1 1 69 69 MET N N 69 120.434 120.434 119.442 0.992 25461 148 1 1 . 1 1 69 69 MET HA H 69 3.918 3.918 4.156 -0.238 25461 149 1 1 . 1 1 69 69 MET C C 69 177.390 177.390 178.429 -1.039 25461 150 1 1 . 1 1 69 69 MET CA C 69 59.757 59.757 58.897 0.860 25461 151 1 1 . 1 1 69 69 MET CB C 69 35.178 35.178 32.640 2.538 25461 152 1 1 . 1 1 69 69 MET H H 69 7.718 7.718 7.905 -0.187 25461 153 1 1 . 1 1 70 70 VAL N N 70 118.137 118.137 119.731 -1.594 25461 154 1 1 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.561 -0.227 25461 155 1 1 . 1 1 70 70 VAL C C 70 177.985 177.985 178.191 -0.206 25461 156 1 1 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.789 -0.415 25461 157 1 1 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.637 1.052 25461 158 1 1 . 1 1 70 70 VAL H H 70 7.322 7.322 7.498 -0.176 25461 159 1 1 . 1 1 71 71 GLU N N 71 118.717 118.717 118.588 0.129 25461 160 1 1 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.935 -0.003 25461 161 1 1 . 1 1 71 71 GLU C C 71 178.984 178.984 179.006 -0.022 25461 162 1 1 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.545 -0.218 25461 163 1 1 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.927 0.655 25461 164 1 1 . 1 1 71 71 GLU H H 71 8.446 8.446 8.561 -0.115 25461 165 1 1 . 1 1 72 72 THR N N 72 116.413 116.413 117.225 -0.812 25461 166 1 1 . 1 1 72 72 THR HA H 72 3.885 3.885 3.942 -0.057 25461 167 1 1 . 1 1 72 72 THR C C 72 176.837 176.837 176.766 0.071 25461 168 1 1 . 1 1 72 72 THR CA C 72 66.924 66.924 66.469 0.455 25461 169 1 1 . 1 1 72 72 THR CB C 72 68.594 68.594 68.585 0.009 25461 170 1 1 . 1 1 72 72 THR H H 72 8.055 8.055 7.821 0.234 25461 171 1 1 . 1 1 73 73 VAL N N 73 119.440 119.440 121.242 -1.802 25461 172 1 1 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.540 -0.179 25461 173 1 1 . 1 1 73 73 VAL C C 73 177.119 177.119 177.719 -0.600 25461 174 1 1 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.052 -0.579 25461 175 1 1 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.244 -0.331 25461 176 1 1 . 1 1 73 73 VAL H H 73 7.521 7.521 7.821 -0.300 25461 177 1 1 . 1 1 74 74 GLN N N 74 120.105 120.105 118.857 1.248 25461 178 1 1 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.788 -0.147 25461 179 1 1 . 1 1 74 74 GLN C C 74 177.761 177.761 178.136 -0.375 25461 180 1 1 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.560 0.164 25461 181 1 1 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.235 1.062 25461 182 1 1 . 1 1 74 74 GLN H H 74 8.884 8.884 8.366 0.518 25461 183 1 1 . 1 1 75 75 ASN N N 75 113.460 113.460 117.838 -4.378 25461 184 1 1 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.432 -0.070 25461 185 1 1 . 1 1 75 75 ASN C C 75 176.122 176.122 177.686 -1.564 25461 186 1 1 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.755 -0.264 25461 187 1 1 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.447 0.525 25461 188 1 1 . 1 1 75 75 ASN H H 75 7.472 7.472 8.232 -0.760 25461 189 1 1 . 1 1 76 76 LEU N N 76 118.225 118.225 117.401 0.824 25461 190 1 1 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.311 -0.004 25461 191 1 1 . 1 1 76 76 LEU C C 76 175.358 175.358 176.096 -0.738 25461 192 1 1 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.227 -0.849 25461 193 1 1 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.356 1.080 25461 194 1 1 . 1 1 76 76 LEU H H 76 7.130 7.130 7.694 -0.564 25461 195 1 1 . 1 1 77 77 ALA N N 77 122.753 122.753 118.571 4.182 25461 196 1 1 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.399 0.047 25461 197 1 1 . 1 1 77 77 ALA C C 77 173.976 173.976 174.840 -0.864 25461 198 1 1 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.249 0.173 25461 199 1 1 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.203 -0.820 25461 200 1 1 . 1 1 77 77 ALA H H 77 7.784 7.784 7.692 0.092 25461 201 1 1 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.340 0.046 25461 202 1 1 . 1 1 78 78 PRO C C 78 177.311 177.311 177.125 0.186 25461 203 1 1 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.246 0.352 25461 204 1 1 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.884 0.257 25461 205 1 1 . 1 1 79 79 ASN N N 79 111.571 111.571 115.221 -3.650 25461 206 1 1 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.575 0.179 25461 207 1 1 . 1 1 79 79 ASN C C 79 175.765 175.765 175.847 -0.082 25461 208 1 1 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.361 -0.199 25461 209 1 1 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.038 -1.156 25461 210 1 1 . 1 1 79 79 ASN H H 79 7.868 7.868 8.249 -0.381 25461 211 1 1 . 1 1 80 80 LEU N N 80 119.219 119.219 118.893 0.326 25461 212 1 1 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.243 0.125 25461 213 1 1 . 1 1 80 80 LEU C C 80 175.715 175.715 175.575 0.140 25461 214 1 1 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.835 0.014 25461 215 1 1 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.086 0.086 25461 216 1 1 . 1 1 80 80 LEU H H 80 7.176 7.176 7.252 -0.076 25461 217 1 1 . 1 1 81 81 HIS N N 81 123.894 123.894 121.339 2.555 25461 218 1 1 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.721 0.021 25461 219 1 1 . 1 1 81 81 HIS C C 81 176.185 176.185 174.777 1.408 25461 220 1 1 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.117 0.375 25461 221 1 1 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.305 0.871 25461 222 1 1 . 1 1 81 81 HIS H H 81 9.023 9.023 8.253 0.770 25461 223 1 1 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.209 -0.196 25461 224 1 1 . 1 1 82 82 PRO C C 82 178.774 178.774 178.375 0.399 25461 225 1 1 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.419 0.976 25461 226 1 1 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.146 -0.111 25461 227 1 1 . 1 1 83 83 GLU N N 83 120.128 120.128 119.017 1.111 25461 228 1 1 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.225 0.185 25461 229 1 1 . 1 1 83 83 GLU C C 83 181.651 181.651 178.816 2.835 25461 230 1 1 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.210 0.019 25461 231 1 1 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.566 -0.270 25461 232 1 1 . 1 1 83 83 GLU H H 83 11.938 11.938 8.358 3.580 25461 233 1 1 . 1 1 84 84 GLN N N 84 117.052 117.052 119.270 -2.218 25461 234 1 1 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.893 0.088 25461 235 1 1 . 1 1 84 84 GLN C C 84 179.958 179.958 178.614 1.344 25461 236 1 1 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.545 0.405 25461 237 1 1 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.367 2.303 25461 238 1 1 . 1 1 84 84 GLN H H 84 7.467 7.467 7.525 -0.058 25461 239 1 1 . 1 1 85 85 ILE N N 85 120.448 120.448 120.655 -0.207 25461 240 1 1 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.671 -0.339 25461 241 1 1 . 1 1 85 85 ILE C C 85 176.960 176.960 177.453 -0.493 25461 242 1 1 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.391 1.137 25461 243 1 1 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.546 0.266 25461 244 1 1 . 1 1 85 85 ILE H H 85 7.750 7.750 7.591 0.159 25461 245 1 1 . 1 1 86 86 ARG N N 86 119.593 119.593 119.685 -0.092 25461 246 1 1 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.892 -0.169 25461 247 1 1 . 1 1 86 86 ARG C C 86 177.115 177.115 178.339 -1.224 25461 248 1 1 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.591 1.228 25461 249 1 1 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.678 0.548 25461 250 1 1 . 1 1 86 86 ARG H H 86 8.868 8.868 7.619 1.249 25461 251 1 1 . 1 1 87 87 TYR N N 87 116.869 116.869 119.775 -2.906 25461 252 1 1 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.278 0.222 25461 253 1 1 . 1 1 87 87 TYR C C 87 177.597 177.597 177.995 -0.398 25461 254 1 1 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.510 -0.387 25461 255 1 1 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.093 0.342 25461 256 1 1 . 1 1 87 87 TYR H H 87 7.684 7.684 7.788 -0.104 25461 257 1 1 . 1 1 88 88 SER N N 88 110.655 110.655 115.464 -4.809 25461 258 1 1 . 1 1 88 88 SER HA H 88 4.155 4.155 3.936 0.219 25461 259 1 1 . 1 1 88 88 SER C C 88 177.666 177.666 176.568 1.098 25461 260 1 1 . 1 1 88 88 SER CA C 88 61.207 61.207 61.450 -0.243 25461 261 1 1 . 1 1 88 88 SER CB C 88 62.880 62.880 62.838 0.042 25461 262 1 1 . 1 1 88 88 SER H H 88 7.510 7.510 8.275 -0.765 25461 263 1 1 . 1 1 89 89 LEU N N 89 119.356 119.356 122.397 -3.041 25461 264 1 1 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.127 0.066 25461 265 1 1 . 1 1 89 89 LEU C C 89 180.057 180.057 179.745 0.312 25461 266 1 1 . 1 1 89 89 LEU CA C 89 57.377 57.377 58.020 -0.644 25461 267 1 1 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.755 1.590 25461 268 1 1 . 1 1 89 89 LEU H H 89 8.522 8.522 8.867 -0.345 25461 269 1 1 . 1 1 90 90 GLU N N 90 120.190 120.190 119.181 1.009 25461 270 1 1 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.261 -0.145 25461 271 1 1 . 1 1 90 90 GLU C C 90 177.812 177.812 179.370 -1.558 25461 272 1 1 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.276 -0.234 25461 273 1 1 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.462 0.530 25461 274 1 1 . 1 1 90 90 GLU H H 90 8.511 8.511 8.014 0.497 25461 275 1 1 . 1 1 91 91 ASN N N 91 115.736 115.736 118.107 -2.371 25461 276 1 1 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.489 0.197 25461 277 1 1 . 1 1 91 91 ASN C C 91 177.109 177.109 177.765 -0.656 25461 278 1 1 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.044 -0.354 25461 279 1 1 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.686 1.800 25461 280 1 1 . 1 1 91 91 ASN H H 91 7.465 7.465 7.927 -0.462 25461 281 1 1 . 1 1 92 92 THR N N 92 110.330 110.330 111.753 -1.423 25461 282 1 1 . 1 1 92 92 THR HA H 92 4.142 4.142 4.199 -0.057 25461 283 1 1 . 1 1 92 92 THR C C 92 176.599 176.599 176.143 0.456 25461 284 1 1 . 1 1 92 92 THR CA C 92 62.581 62.581 64.247 -1.666 25461 285 1 1 . 1 1 92 92 THR CB C 92 70.198 70.198 69.403 0.795 25461 286 1 1 . 1 1 92 92 THR H H 92 9.251 9.251 8.302 0.949 25461 287 1 1 . 1 1 93 93 GLY N N 93 112.211 112.211 110.048 2.163 25461 288 1 1 . 1 1 93 93 GLY C C 93 174.132 174.132 173.616 0.516 25461 289 1 1 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.732 0.939 25461 290 1 1 . 1 1 93 93 GLY H H 93 8.682 8.682 8.296 0.386 25461 291 1 1 . 1 1 94 94 SER N N 94 111.808 111.808 113.785 -1.977 25461 292 1 1 . 1 1 94 94 SER HA H 94 4.784 4.784 4.739 0.045 25461 293 1 1 . 1 1 94 94 SER C C 94 173.862 173.862 174.496 -0.634 25461 294 1 1 . 1 1 94 94 SER CA C 94 56.221 56.221 55.646 0.575 25461 295 1 1 . 1 1 94 94 SER CB C 94 64.454 64.454 64.586 -0.132 25461 296 1 1 . 1 1 94 94 SER H H 94 8.058 8.058 7.426 0.632 25461 297 1 1 . 1 1 95 95 VAL N N 95 129.818 129.818 125.776 4.042 25461 298 1 1 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.784 -0.427 25461 299 1 1 . 1 1 95 95 VAL C C 95 176.909 176.909 177.503 -0.594 25461 300 1 1 . 1 1 95 95 VAL CA C 95 66.806 66.806 65.845 0.961 25461 301 1 1 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.830 0.489 25461 302 1 1 . 1 1 95 95 VAL H H 95 8.983 8.983 8.883 0.100 25461 303 1 1 . 1 1 96 96 GLU N N 96 117.745 117.745 119.461 -1.716 25461 304 1 1 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.928 -0.104 25461 305 1 1 . 1 1 96 96 GLU C C 96 179.126 179.126 178.338 0.788 25461 306 1 1 . 1 1 96 96 GLU CA C 96 60.825 60.825 60.063 0.762 25461 307 1 1 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.779 0.230 25461 308 1 1 . 1 1 96 96 GLU H H 96 8.673 8.673 8.313 0.360 25461 309 1 1 . 1 1 97 97 GLU N N 97 120.049 120.049 119.917 0.132 25461 310 1 1 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.275 -0.129 25461 311 1 1 . 1 1 97 97 GLU C C 97 178.947 178.947 179.023 -0.076 25461 312 1 1 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.404 -0.463 25461 313 1 1 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.078 0.666 25461 314 1 1 . 1 1 97 97 GLU H H 97 8.125 8.125 8.641 -0.516 25461 315 1 1 . 1 1 98 98 THR N N 98 118.623 118.623 117.118 1.505 25461 316 1 1 . 1 1 98 98 THR HA H 98 3.805 3.805 4.077 -0.272 25461 317 1 1 . 1 1 98 98 THR C C 98 175.676 175.676 176.644 -0.968 25461 318 1 1 . 1 1 98 98 THR CA C 98 70.162 70.162 66.816 3.346 25461 319 1 1 . 1 1 98 98 THR CB C 98 69.317 69.317 68.892 0.425 25461 320 1 1 . 1 1 98 98 THR H H 98 8.038 8.038 7.646 0.392 25461 321 1 1 . 1 1 99 99 VAL N N 99 120.683 120.683 121.105 -0.422 25461 322 1 1 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.894 -0.353 25461 323 1 1 . 1 1 99 99 VAL C C 99 177.456 177.456 177.899 -0.443 25461 324 1 1 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.020 1.904 25461 325 1 1 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.903 0.663 25461 326 1 1 . 1 1 99 99 VAL H H 99 8.724 8.724 8.467 0.257 25461 327 1 1 . 1 1 100 100 GLU N N 100 120.914 120.914 120.103 0.811 25461 328 1 1 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.098 -0.084 25461 329 1 1 . 1 1 100 100 GLU C C 100 179.857 179.857 179.278 0.579 25461 330 1 1 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.912 0.308 25461 331 1 1 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.572 -0.364 25461 332 1 1 . 1 1 100 100 GLU H H 100 8.324 8.324 8.441 -0.117 25461 333 1 1 . 1 1 101 101 ARG N N 101 118.451 118.451 118.387 0.064 25461 334 1 1 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.141 -0.268 25461 335 1 1 . 1 1 101 101 ARG C C 101 178.078 178.078 178.051 0.027 25461 336 1 1 . 1 1 101 101 ARG CA C 101 59.978 59.978 59.197 0.781 25461 337 1 1 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.939 0.007 25461 338 1 1 . 1 1 101 101 ARG H H 101 8.197 8.197 8.604 -0.407 25461 339 1 1 . 1 1 102 102 TYR N N 102 119.888 119.888 123.797 -3.909 25461 340 1 1 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.488 -0.013 25461 341 1 1 . 1 1 102 102 TYR C C 102 180.056 180.056 177.967 2.089 25461 342 1 1 . 1 1 102 102 TYR CA C 102 61.526 61.526 60.968 0.558 25461 343 1 1 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.484 -0.968 25461 344 1 1 . 1 1 102 102 TYR H H 102 8.180 8.180 8.152 0.028 25461 345 1 1 . 1 1 103 103 LEU N N 103 122.091 122.091 118.587 3.504 25461 346 1 1 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.617 0.214 25461 347 1 1 . 1 1 103 103 LEU C C 103 178.973 178.973 177.913 1.060 25461 348 1 1 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.159 0.266 25461 349 1 1 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.377 0.246 25461 350 1 1 . 1 1 103 103 LEU H H 103 9.050 9.050 8.208 0.842 25461 351 1 1 . 1 1 104 104 ARG N N 104 116.388 116.388 117.867 -1.479 25461 352 1 1 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.326 0.050 25461 353 1 1 . 1 1 104 104 ARG C C 104 176.877 176.877 177.317 -0.440 25461 354 1 1 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.895 0.677 25461 355 1 1 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.559 -0.081 25461 356 1 1 . 1 1 104 104 ARG H H 104 7.888 7.888 7.456 0.432 25461 357 1 1 . 1 1 105 105 GLY N N 105 107.432 107.432 110.509 -3.077 25461 358 1 1 . 1 1 105 105 GLY C C 105 174.796 174.796 174.723 0.073 25461 359 1 1 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.528 -0.196 25461 360 1 1 . 1 1 105 105 GLY H H 105 7.688 7.688 7.949 -0.261 25461 361 1 1 . 1 1 106 106 ASP N N 106 121.505 121.505 120.931 0.574 25461 362 1 1 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.604 -0.223 25461 363 1 1 . 1 1 106 106 ASP C C 106 175.595 175.595 176.622 -1.027 25461 364 1 1 . 1 1 106 106 ASP CA C 106 55.037 55.037 53.690 1.347 25461 365 1 1 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.217 -1.646 25461 366 1 1 . 1 1 106 106 ASP H H 106 7.878 7.878 8.275 -0.397 25461 367 1 1 . 1 1 107 107 GLU N N 107 119.581 119.581 118.714 0.867 25461 368 1 1 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.423 -0.041 25461 369 1 1 . 1 1 107 107 GLU C C 107 177.123 177.123 175.641 1.482 25461 370 1 1 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.746 -0.271 25461 371 1 1 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.211 0.311 25461 372 1 1 . 1 1 107 107 GLU H H 107 8.394 8.394 8.451 -0.057 25461 373 1 1 . 1 1 108 108 PHE N N 108 126.975 126.975 122.309 4.666 25461 374 1 1 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.799 -0.177 25461 375 1 1 . 1 1 108 108 PHE C C 108 176.186 176.186 175.269 0.917 25461 376 1 1 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.389 -0.159 25461 377 1 1 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.548 -0.304 25461 378 1 1 . 1 1 108 108 PHE H H 108 9.373 9.373 8.771 0.602 25461 379 1 1 . 1 1 109 109 SER N N 109 121.198 121.198 118.657 2.541 25461 380 1 1 . 1 1 109 109 SER HA H 109 4.582 4.582 4.657 -0.075 25461 381 1 1 . 1 1 109 109 SER C C 109 175.060 175.060 173.039 2.021 25461 382 1 1 . 1 1 109 109 SER CA C 109 58.928 58.928 56.988 1.940 25461 383 1 1 . 1 1 109 109 SER CB C 109 64.213 64.213 65.492 -1.279 25461 384 1 1 . 1 1 109 109 SER H H 109 8.694 8.694 8.587 0.107 25461 385 1 1 . 1 1 110 110 PHE N N 110 121.734 121.734 119.787 1.947 25461 386 1 1 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.533 -0.346 25461 387 1 1 . 1 1 110 110 PHE C C 110 172.930 172.930 173.773 -0.843 25461 388 1 1 . 1 1 110 110 PHE CA C 110 57.749 57.749 56.431 1.318 25461 389 1 1 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.364 -0.867 25461 390 1 1 . 1 1 110 110 PHE H H 110 8.965 8.965 8.525 0.440 25461 391 1 1 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.838 -0.489 25461 392 1 1 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.318 -0.246 25461 393 1 1 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.290 0.028 25461 394 1 1 . 1 1 112 112 PRO C C 112 177.703 177.703 178.021 -0.318 25461 395 1 1 . 1 1 112 112 PRO CA C 112 63.589 63.589 64.106 -0.517 25461 396 1 1 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.778 -0.020 25461 397 1 1 . 1 1 113 113 GLY N N 113 110.960 110.960 110.409 0.551 25461 398 1 1 . 1 1 113 113 GLY C C 113 174.074 174.074 175.150 -1.076 25461 399 1 1 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.334 -0.174 25461 400 1 1 . 1 1 113 113 GLY H H 113 8.682 8.682 8.417 0.265 25461 401 1 1 . 1 1 114 114 PHE N N 114 120.992 120.992 121.198 -0.206 25461 402 1 1 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.299 0.011 25461 403 1 1 . 1 1 114 114 PHE C C 114 174.567 174.567 176.621 -2.054 25461 404 1 1 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.020 -0.696 25461 405 1 1 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.818 0.331 25461 406 1 1 . 1 1 114 114 PHE H H 114 7.771 7.771 7.899 -0.128 25461 407 1 2 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.074 0.283 25461 408 1 2 . 1 1 42 42 ALA C C 42 177.825 177.825 178.275 -0.450 25461 409 1 2 . 1 1 42 42 ALA CA C 42 52.674 52.674 54.859 -2.185 25461 410 1 2 . 1 1 42 42 ALA CB C 42 19.452 19.452 17.038 2.414 25461 411 1 2 . 1 1 43 43 MET N N 43 119.667 119.667 117.953 1.714 25461 412 1 2 . 1 1 43 43 MET HA H 43 4.549 4.549 4.375 0.174 25461 413 1 2 . 1 1 43 43 MET C C 43 176.478 176.478 176.287 0.191 25461 414 1 2 . 1 1 43 43 MET CA C 43 55.344 55.344 55.916 -0.572 25461 415 1 2 . 1 1 43 43 MET CB C 43 33.129 33.129 32.977 0.152 25461 416 1 2 . 1 1 43 43 MET H H 43 8.507 8.507 7.617 0.890 25461 417 1 2 . 1 1 44 44 GLY N N 44 110.244 110.244 108.916 1.328 25461 418 1 2 . 1 1 44 44 GLY C C 44 172.009 172.009 173.011 -1.002 25461 419 1 2 . 1 1 44 44 GLY CA C 44 44.642 44.642 45.507 -0.865 25461 420 1 2 . 1 1 44 44 GLY H H 44 8.251 8.251 8.396 -0.145 25461 421 1 2 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.539 -0.106 25461 422 1 2 . 1 1 45 45 PRO C C 45 177.510 177.510 176.245 1.265 25461 423 1 2 . 1 1 45 45 PRO CA C 45 63.405 63.405 63.638 -0.233 25461 424 1 2 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.170 -0.064 25461 425 1 2 . 1 1 46 46 GLN N N 46 120.607 120.607 118.484 2.123 25461 426 1 2 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.602 -0.256 25461 427 1 2 . 1 1 46 46 GLN C C 46 176.687 176.687 174.404 2.283 25461 428 1 2 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.279 0.777 25461 429 1 2 . 1 1 46 46 GLN CB C 46 29.423 29.423 32.274 -2.851 25461 430 1 2 . 1 1 46 46 GLN H H 46 8.628 8.628 8.099 0.529 25461 431 1 2 . 1 1 47 47 GLY N N 47 110.011 110.011 111.546 -1.535 25461 432 1 2 . 1 1 47 47 GLY C C 47 174.308 174.308 173.065 1.243 25461 433 1 2 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.350 0.084 25461 434 1 2 . 1 1 47 47 GLY H H 47 8.411 8.411 8.505 -0.094 25461 435 1 2 . 1 1 48 48 SER N N 48 115.646 115.646 113.417 2.229 25461 436 1 2 . 1 1 48 48 SER HA H 48 4.542 4.542 5.168 -0.626 25461 437 1 2 . 1 1 48 48 SER C C 48 175.288 175.288 173.015 2.273 25461 438 1 2 . 1 1 48 48 SER CA C 48 58.437 58.437 58.026 0.411 25461 439 1 2 . 1 1 48 48 SER CB C 48 63.965 63.965 65.328 -1.363 25461 440 1 2 . 1 1 48 48 SER H H 48 8.284 8.284 8.799 -0.515 25461 441 1 2 . 1 1 49 49 THR N N 49 115.928 115.928 114.892 1.036 25461 442 1 2 . 1 1 49 49 THR HA H 49 4.343 4.343 4.520 -0.177 25461 443 1 2 . 1 1 49 49 THR C C 49 174.948 174.948 172.587 2.361 25461 444 1 2 . 1 1 49 49 THR CA C 49 62.294 62.294 62.044 0.250 25461 445 1 2 . 1 1 49 49 THR CB C 49 69.614 69.614 69.477 0.137 25461 446 1 2 . 1 1 49 49 THR H H 49 8.282 8.282 8.377 -0.095 25461 447 1 2 . 1 1 50 50 GLN N N 50 122.155 122.155 120.282 1.873 25461 448 1 2 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.496 -0.109 25461 449 1 2 . 1 1 50 50 GLN C C 50 176.071 176.071 174.300 1.771 25461 450 1 2 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.331 1.059 25461 451 1 2 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.599 -0.374 25461 452 1 2 . 1 1 50 50 GLN H H 50 8.401 8.401 8.305 0.096 25461 453 1 2 . 1 1 51 51 ASN N N 51 119.604 119.604 120.706 -1.102 25461 454 1 2 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.554 0.084 25461 455 1 2 . 1 1 51 51 ASN C C 51 175.275 175.275 174.351 0.924 25461 456 1 2 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.592 0.058 25461 457 1 2 . 1 1 51 51 ASN CB C 51 38.857 38.857 37.397 1.460 25461 458 1 2 . 1 1 51 51 ASN H H 51 8.395 8.395 8.288 0.107 25461 459 1 2 . 1 1 52 52 ALA N N 52 124.054 124.054 126.571 -2.517 25461 460 1 2 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.814 -0.552 25461 461 1 2 . 1 1 52 52 ALA C C 52 177.915 177.915 175.923 1.992 25461 462 1 2 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.853 1.238 25461 463 1 2 . 1 1 52 52 ALA CB C 52 19.174 19.174 20.531 -1.357 25461 464 1 2 . 1 1 52 52 ALA H H 52 8.227 8.227 8.199 0.028 25461 465 1 2 . 1 1 53 53 LEU N N 53 120.325 120.325 118.829 1.496 25461 466 1 2 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.970 -0.678 25461 467 1 2 . 1 1 53 53 LEU C C 53 177.531 177.531 176.588 0.943 25461 468 1 2 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.124 1.319 25461 469 1 2 . 1 1 53 53 LEU CB C 53 42.207 42.207 41.964 0.243 25461 470 1 2 . 1 1 53 53 LEU H H 53 8.097 8.097 8.106 -0.009 25461 471 1 2 . 1 1 54 54 ARG N N 54 121.409 121.409 120.535 0.874 25461 472 1 2 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.345 -0.012 25461 473 1 2 . 1 1 54 54 ARG C C 54 176.332 176.332 176.184 0.148 25461 474 1 2 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.157 0.030 25461 475 1 2 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.582 0.154 25461 476 1 2 . 1 1 54 54 ARG H H 54 8.155 8.155 8.292 -0.137 25461 477 1 2 . 1 1 55 55 ARG N N 55 122.380 122.380 119.825 2.555 25461 478 1 2 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.361 0.057 25461 479 1 2 . 1 1 55 55 ARG C C 55 176.563 176.563 176.158 0.405 25461 480 1 2 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.154 0.135 25461 481 1 2 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.401 0.437 25461 482 1 2 . 1 1 55 55 ARG H H 55 8.389 8.389 8.586 -0.197 25461 483 1 2 . 1 1 56 56 THR N N 56 114.693 114.693 113.474 1.219 25461 484 1 2 . 1 1 56 56 THR HA H 56 4.372 4.372 4.503 -0.131 25461 485 1 2 . 1 1 56 56 THR C C 56 175.062 175.062 174.972 0.090 25461 486 1 2 . 1 1 56 56 THR CA C 56 61.926 61.926 60.484 1.442 25461 487 1 2 . 1 1 56 56 THR CB C 56 70.016 70.016 70.257 -0.241 25461 488 1 2 . 1 1 56 56 THR H H 56 8.204 8.204 7.783 0.421 25461 489 1 2 . 1 1 57 57 GLY N N 57 111.042 111.042 108.968 2.074 25461 490 1 2 . 1 1 57 57 GLY C C 57 173.868 173.868 174.208 -0.340 25461 491 1 2 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.267 0.024 25461 492 1 2 . 1 1 57 57 GLY H H 57 8.424 8.424 8.366 0.058 25461 493 1 2 . 1 1 58 58 ARG N N 58 120.824 120.824 120.575 0.249 25461 494 1 2 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.022 0.364 25461 495 1 2 . 1 1 58 58 ARG C C 58 176.522 176.522 175.661 0.861 25461 496 1 2 . 1 1 58 58 ARG CA C 58 56.111 56.111 56.367 -0.256 25461 497 1 2 . 1 1 58 58 ARG CB C 58 31.074 31.074 28.725 2.349 25461 498 1 2 . 1 1 58 58 ARG H H 58 8.232 8.232 8.427 -0.195 25461 499 1 2 . 1 1 59 59 VAL N N 59 121.437 121.437 121.674 -0.237 25461 500 1 2 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.401 -0.281 25461 501 1 2 . 1 1 59 59 VAL C C 59 176.022 176.022 175.394 0.628 25461 502 1 2 . 1 1 59 59 VAL CA C 59 62.413 62.413 60.441 1.972 25461 503 1 2 . 1 1 59 59 VAL CB C 59 32.815 32.815 33.718 -0.902 25461 504 1 2 . 1 1 59 59 VAL H H 59 8.307 8.307 7.767 0.540 25461 505 1 2 . 1 1 60 60 ASN N N 60 122.487 122.487 122.216 0.271 25461 506 1 2 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.703 0.034 25461 507 1 2 . 1 1 60 60 ASN C C 60 175.521 175.521 174.968 0.553 25461 508 1 2 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.265 0.110 25461 509 1 2 . 1 1 60 60 ASN CB C 60 39.098 39.098 38.671 0.427 25461 510 1 2 . 1 1 60 60 ASN H H 60 8.593 8.593 8.576 0.017 25461 511 1 2 . 1 1 61 61 GLY N N 61 109.681 109.681 107.343 2.338 25461 512 1 2 . 1 1 61 61 GLY C C 61 174.361 174.361 174.464 -0.103 25461 513 1 2 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.525 0.974 25461 514 1 2 . 1 1 61 61 GLY H H 61 8.407 8.407 8.456 -0.049 25461 515 1 2 . 1 1 62 62 GLY N N 62 108.197 108.197 108.783 -0.586 25461 516 1 2 . 1 1 62 62 GLY C C 62 173.866 173.866 173.300 0.566 25461 517 1 2 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.326 0.786 25461 518 1 2 . 1 1 62 62 GLY H H 62 8.209 8.209 7.951 0.258 25461 519 1 2 . 1 1 63 63 HIS N N 63 121.370 121.370 118.077 3.293 25461 520 1 2 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.027 -0.228 25461 521 1 2 . 1 1 63 63 HIS C C 63 173.562 173.562 173.467 0.095 25461 522 1 2 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.944 0.902 25461 523 1 2 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.643 -1.471 25461 524 1 2 . 1 1 63 63 HIS H H 63 8.587 8.587 8.267 0.320 25461 525 1 2 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.604 -0.143 25461 526 1 2 . 1 1 64 64 PRO C C 64 176.406 176.406 176.424 -0.018 25461 527 1 2 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.927 0.161 25461 528 1 2 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.526 -0.523 25461 529 1 2 . 1 1 65 65 VAL N N 65 122.214 122.214 116.554 5.660 25461 530 1 2 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.670 -0.316 25461 531 1 2 . 1 1 65 65 VAL C C 65 176.217 176.217 175.419 0.798 25461 532 1 2 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.165 3.068 25461 533 1 2 . 1 1 65 65 VAL CB C 65 34.354 34.354 35.531 -1.177 25461 534 1 2 . 1 1 65 65 VAL H H 65 8.436 8.436 7.956 0.480 25461 535 1 2 . 1 1 66 66 THR N N 66 118.215 118.215 111.925 6.290 25461 536 1 2 . 1 1 66 66 THR HA H 66 4.844 4.844 4.720 0.124 25461 537 1 2 . 1 1 66 66 THR C C 66 175.632 175.632 175.374 0.258 25461 538 1 2 . 1 1 66 66 THR CA C 66 59.250 59.250 60.223 -0.973 25461 539 1 2 . 1 1 66 66 THR CB C 66 71.632 71.632 71.879 -0.247 25461 540 1 2 . 1 1 66 66 THR H H 66 7.765 7.765 8.169 -0.404 25461 541 1 2 . 1 1 67 67 THR N N 67 116.809 116.809 116.901 -0.092 25461 542 1 2 . 1 1 67 67 THR HA H 67 3.846 3.846 3.852 -0.006 25461 543 1 2 . 1 1 67 67 THR C C 67 176.323 176.323 176.550 -0.227 25461 544 1 2 . 1 1 67 67 THR CA C 67 66.206 66.206 66.446 -0.240 25461 545 1 2 . 1 1 67 67 THR CB C 67 68.417 68.417 68.693 -0.276 25461 546 1 2 . 1 1 67 67 THR H H 67 8.901 8.901 8.465 0.436 25461 547 1 2 . 1 1 68 68 GLN N N 68 120.255 120.255 119.185 1.070 25461 548 1 2 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.038 0.045 25461 549 1 2 . 1 1 68 68 GLN C C 68 179.056 179.056 178.143 0.913 25461 550 1 2 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.697 0.958 25461 551 1 2 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.869 0.062 25461 552 1 2 . 1 1 68 68 GLN H H 68 8.290 8.290 8.775 -0.485 25461 553 1 2 . 1 1 69 69 MET N N 69 120.434 120.434 119.745 0.689 25461 554 1 2 . 1 1 69 69 MET HA H 69 3.918 3.918 4.110 -0.192 25461 555 1 2 . 1 1 69 69 MET C C 69 177.390 177.390 178.391 -1.001 25461 556 1 2 . 1 1 69 69 MET CA C 69 59.757 59.757 58.949 0.808 25461 557 1 2 . 1 1 69 69 MET CB C 69 35.178 35.178 32.583 2.595 25461 558 1 2 . 1 1 69 69 MET H H 69 7.718 7.718 7.713 0.005 25461 559 1 2 . 1 1 70 70 VAL N N 70 118.137 118.137 119.217 -1.080 25461 560 1 2 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.449 -0.115 25461 561 1 2 . 1 1 70 70 VAL C C 70 177.985 177.985 177.848 0.137 25461 562 1 2 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.906 -0.532 25461 563 1 2 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.160 0.529 25461 564 1 2 . 1 1 70 70 VAL H H 70 7.322 7.322 7.530 -0.208 25461 565 1 2 . 1 1 71 71 GLU N N 71 118.717 118.717 118.216 0.501 25461 566 1 2 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.929 0.003 25461 567 1 2 . 1 1 71 71 GLU C C 71 178.984 178.984 179.132 -0.148 25461 568 1 2 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.335 -0.007 25461 569 1 2 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.943 0.639 25461 570 1 2 . 1 1 71 71 GLU H H 71 8.446 8.446 8.142 0.304 25461 571 1 2 . 1 1 72 72 THR N N 72 116.413 116.413 117.296 -0.883 25461 572 1 2 . 1 1 72 72 THR HA H 72 3.885 3.885 3.981 -0.096 25461 573 1 2 . 1 1 72 72 THR C C 72 176.837 176.837 176.744 0.093 25461 574 1 2 . 1 1 72 72 THR CA C 72 66.924 66.924 66.605 0.319 25461 575 1 2 . 1 1 72 72 THR CB C 72 68.594 68.594 68.642 -0.048 25461 576 1 2 . 1 1 72 72 THR H H 72 8.055 8.055 7.937 0.118 25461 577 1 2 . 1 1 73 73 VAL N N 73 119.440 119.440 121.334 -1.894 25461 578 1 2 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.504 -0.143 25461 579 1 2 . 1 1 73 73 VAL C C 73 177.119 177.119 177.676 -0.557 25461 580 1 2 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.266 -0.793 25461 581 1 2 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.248 -0.335 25461 582 1 2 . 1 1 73 73 VAL H H 73 7.521 7.521 7.826 -0.305 25461 583 1 2 . 1 1 74 74 GLN N N 74 120.105 120.105 119.178 0.927 25461 584 1 2 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.754 -0.113 25461 585 1 2 . 1 1 74 74 GLN C C 74 177.761 177.761 178.180 -0.419 25461 586 1 2 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.729 -0.005 25461 587 1 2 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.266 1.031 25461 588 1 2 . 1 1 74 74 GLN H H 74 8.884 8.884 8.345 0.539 25461 589 1 2 . 1 1 75 75 ASN N N 75 113.460 113.460 117.660 -4.200 25461 590 1 2 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.410 -0.048 25461 591 1 2 . 1 1 75 75 ASN C C 75 176.122 176.122 177.663 -1.541 25461 592 1 2 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.850 -0.359 25461 593 1 2 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.573 0.399 25461 594 1 2 . 1 1 75 75 ASN H H 75 7.472 7.472 8.225 -0.753 25461 595 1 2 . 1 1 76 76 LEU N N 76 118.225 118.225 117.098 1.127 25461 596 1 2 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.259 0.048 25461 597 1 2 . 1 1 76 76 LEU C C 76 175.358 175.358 176.383 -1.025 25461 598 1 2 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.393 -1.015 25461 599 1 2 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.485 0.951 25461 600 1 2 . 1 1 76 76 LEU H H 76 7.130 7.130 7.639 -0.509 25461 601 1 2 . 1 1 77 77 ALA N N 77 122.753 122.753 118.786 3.967 25461 602 1 2 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.326 0.120 25461 603 1 2 . 1 1 77 77 ALA C C 77 173.976 173.976 174.746 -0.770 25461 604 1 2 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.793 0.629 25461 605 1 2 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.436 -1.054 25461 606 1 2 . 1 1 77 77 ALA H H 77 7.784 7.784 7.708 0.076 25461 607 1 2 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.371 0.015 25461 608 1 2 . 1 1 78 78 PRO C C 78 177.311 177.311 176.970 0.341 25461 609 1 2 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.016 0.582 25461 610 1 2 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.923 0.218 25461 611 1 2 . 1 1 79 79 ASN N N 79 111.571 111.571 115.756 -4.185 25461 612 1 2 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.722 0.032 25461 613 1 2 . 1 1 79 79 ASN C C 79 175.765 175.765 175.439 0.326 25461 614 1 2 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.353 -0.191 25461 615 1 2 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.054 -1.172 25461 616 1 2 . 1 1 79 79 ASN H H 79 7.868 7.868 8.071 -0.203 25461 617 1 2 . 1 1 80 80 LEU N N 80 119.219 119.219 118.545 0.674 25461 618 1 2 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.374 -0.006 25461 619 1 2 . 1 1 80 80 LEU C C 80 175.715 175.715 175.518 0.197 25461 620 1 2 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.380 0.469 25461 621 1 2 . 1 1 80 80 LEU CB C 80 43.172 43.172 44.347 -1.175 25461 622 1 2 . 1 1 80 80 LEU H H 80 7.176 7.176 7.266 -0.090 25461 623 1 2 . 1 1 81 81 HIS N N 81 123.894 123.894 121.678 2.216 25461 624 1 2 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.770 -0.028 25461 625 1 2 . 1 1 81 81 HIS C C 81 176.185 176.185 174.475 1.710 25461 626 1 2 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.237 0.255 25461 627 1 2 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.803 0.373 25461 628 1 2 . 1 1 81 81 HIS H H 81 9.023 9.023 8.670 0.353 25461 629 1 2 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.309 -0.296 25461 630 1 2 . 1 1 82 82 PRO C C 82 178.774 178.774 178.548 0.226 25461 631 1 2 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.468 0.927 25461 632 1 2 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.234 -0.199 25461 633 1 2 . 1 1 83 83 GLU N N 83 120.128 120.128 118.791 1.337 25461 634 1 2 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.196 0.214 25461 635 1 2 . 1 1 83 83 GLU C C 83 181.651 181.651 178.789 2.862 25461 636 1 2 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.260 -0.031 25461 637 1 2 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.372 -0.076 25461 638 1 2 . 1 1 83 83 GLU H H 83 11.938 11.938 8.294 3.644 25461 639 1 2 . 1 1 84 84 GLN N N 84 117.052 117.052 119.866 -2.814 25461 640 1 2 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.901 0.080 25461 641 1 2 . 1 1 84 84 GLN C C 84 179.958 179.958 178.691 1.267 25461 642 1 2 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.689 0.261 25461 643 1 2 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.544 2.126 25461 644 1 2 . 1 1 84 84 GLN H H 84 7.467 7.467 7.372 0.095 25461 645 1 2 . 1 1 85 85 ILE N N 85 120.448 120.448 120.265 0.183 25461 646 1 2 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.635 -0.302 25461 647 1 2 . 1 1 85 85 ILE C C 85 176.960 176.960 177.586 -0.626 25461 648 1 2 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.453 1.075 25461 649 1 2 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.535 0.277 25461 650 1 2 . 1 1 85 85 ILE H H 85 7.750 7.750 7.867 -0.117 25461 651 1 2 . 1 1 86 86 ARG N N 86 119.593 119.593 119.583 0.010 25461 652 1 2 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.879 -0.156 25461 653 1 2 . 1 1 86 86 ARG C C 86 177.115 177.115 178.485 -1.370 25461 654 1 2 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.547 1.272 25461 655 1 2 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.778 0.448 25461 656 1 2 . 1 1 86 86 ARG H H 86 8.868 8.868 7.559 1.309 25461 657 1 2 . 1 1 87 87 TYR N N 87 116.869 116.869 120.051 -3.182 25461 658 1 2 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.734 -0.234 25461 659 1 2 . 1 1 87 87 TYR C C 87 177.597 177.597 178.338 -0.741 25461 660 1 2 . 1 1 87 87 TYR CA C 87 60.123 60.123 59.714 0.409 25461 661 1 2 . 1 1 87 87 TYR CB C 87 38.435 38.435 37.975 0.460 25461 662 1 2 . 1 1 87 87 TYR H H 87 7.684 7.684 8.186 -0.502 25461 663 1 2 . 1 1 88 88 SER N N 88 110.655 110.655 116.169 -5.514 25461 664 1 2 . 1 1 88 88 SER HA H 88 4.155 4.155 3.966 0.189 25461 665 1 2 . 1 1 88 88 SER C C 88 177.666 177.666 176.500 1.166 25461 666 1 2 . 1 1 88 88 SER CA C 88 61.207 61.207 62.215 -1.008 25461 667 1 2 . 1 1 88 88 SER CB C 88 62.880 62.880 62.916 -0.036 25461 668 1 2 . 1 1 88 88 SER H H 88 7.510 7.510 8.315 -0.805 25461 669 1 2 . 1 1 89 89 LEU N N 89 119.356 119.356 122.083 -2.727 25461 670 1 2 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.115 0.078 25461 671 1 2 . 1 1 89 89 LEU C C 89 180.057 180.057 179.772 0.285 25461 672 1 2 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.998 -0.621 25461 673 1 2 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.795 1.550 25461 674 1 2 . 1 1 89 89 LEU H H 89 8.522 8.522 8.711 -0.189 25461 675 1 2 . 1 1 90 90 GLU N N 90 120.190 120.190 119.550 0.640 25461 676 1 2 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.278 -0.162 25461 677 1 2 . 1 1 90 90 GLU C C 90 177.812 177.812 179.357 -1.545 25461 678 1 2 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.480 -0.438 25461 679 1 2 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.470 0.522 25461 680 1 2 . 1 1 90 90 GLU H H 90 8.511 8.511 8.043 0.468 25461 681 1 2 . 1 1 91 91 ASN N N 91 115.736 115.736 116.912 -1.176 25461 682 1 2 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.501 0.185 25461 683 1 2 . 1 1 91 91 ASN C C 91 177.109 177.109 177.544 -0.435 25461 684 1 2 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.876 -0.186 25461 685 1 2 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.710 1.776 25461 686 1 2 . 1 1 91 91 ASN H H 91 7.465 7.465 7.915 -0.450 25461 687 1 2 . 1 1 92 92 THR N N 92 110.330 110.330 110.067 0.263 25461 688 1 2 . 1 1 92 92 THR HA H 92 4.142 4.142 4.220 -0.078 25461 689 1 2 . 1 1 92 92 THR C C 92 176.599 176.599 176.194 0.405 25461 690 1 2 . 1 1 92 92 THR CA C 92 62.581 62.581 63.864 -1.284 25461 691 1 2 . 1 1 92 92 THR CB C 92 70.198 70.198 70.198 0.000 25461 692 1 2 . 1 1 92 92 THR H H 92 9.251 9.251 8.203 1.048 25461 693 1 2 . 1 1 93 93 GLY N N 93 112.211 112.211 111.742 0.469 25461 694 1 2 . 1 1 93 93 GLY C C 93 174.132 174.132 173.533 0.599 25461 695 1 2 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.941 0.730 25461 696 1 2 . 1 1 93 93 GLY H H 93 8.682 8.682 8.296 0.386 25461 697 1 2 . 1 1 94 94 SER N N 94 111.808 111.808 115.354 -3.546 25461 698 1 2 . 1 1 94 94 SER HA H 94 4.784 4.784 4.734 0.050 25461 699 1 2 . 1 1 94 94 SER C C 94 173.862 173.862 174.425 -0.563 25461 700 1 2 . 1 1 94 94 SER CA C 94 56.221 56.221 56.608 -0.387 25461 701 1 2 . 1 1 94 94 SER CB C 94 64.454 64.454 66.270 -1.816 25461 702 1 2 . 1 1 94 94 SER H H 94 8.058 8.058 7.231 0.827 25461 703 1 2 . 1 1 95 95 VAL N N 95 129.818 129.818 125.977 3.841 25461 704 1 2 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.660 -0.303 25461 705 1 2 . 1 1 95 95 VAL C C 95 176.909 176.909 177.670 -0.761 25461 706 1 2 . 1 1 95 95 VAL CA C 95 66.806 66.806 66.272 0.534 25461 707 1 2 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.439 0.879 25461 708 1 2 . 1 1 95 95 VAL H H 95 8.983 8.983 8.927 0.056 25461 709 1 2 . 1 1 96 96 GLU N N 96 117.745 117.745 119.390 -1.645 25461 710 1 2 . 1 1 96 96 GLU HA H 96 3.824 3.824 4.003 -0.179 25461 711 1 2 . 1 1 96 96 GLU C C 96 179.126 179.126 178.451 0.675 25461 712 1 2 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.902 0.923 25461 713 1 2 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.677 0.332 25461 714 1 2 . 1 1 96 96 GLU H H 96 8.673 8.673 8.646 0.027 25461 715 1 2 . 1 1 97 97 GLU N N 97 120.049 120.049 119.369 0.680 25461 716 1 2 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.159 -0.013 25461 717 1 2 . 1 1 97 97 GLU C C 97 178.947 178.947 178.842 0.105 25461 718 1 2 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.051 -0.110 25461 719 1 2 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.941 0.803 25461 720 1 2 . 1 1 97 97 GLU H H 97 8.125 8.125 8.638 -0.513 25461 721 1 2 . 1 1 98 98 THR N N 98 118.623 118.623 117.269 1.354 25461 722 1 2 . 1 1 98 98 THR HA H 98 3.805 3.805 4.112 -0.307 25461 723 1 2 . 1 1 98 98 THR C C 98 175.676 175.676 176.877 -1.201 25461 724 1 2 . 1 1 98 98 THR CA C 98 70.162 70.162 67.614 2.548 25461 725 1 2 . 1 1 98 98 THR CB C 98 69.317 69.317 68.678 0.639 25461 726 1 2 . 1 1 98 98 THR H H 98 8.038 8.038 7.703 0.335 25461 727 1 2 . 1 1 99 99 VAL N N 99 120.683 120.683 121.459 -0.776 25461 728 1 2 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.691 -0.150 25461 729 1 2 . 1 1 99 99 VAL C C 99 177.456 177.456 177.496 -0.040 25461 730 1 2 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.977 0.947 25461 731 1 2 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.454 0.112 25461 732 1 2 . 1 1 99 99 VAL H H 99 8.724 8.724 8.630 0.094 25461 733 1 2 . 1 1 100 100 GLU N N 100 120.914 120.914 119.974 0.940 25461 734 1 2 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.165 -0.151 25461 735 1 2 . 1 1 100 100 GLU C C 100 179.857 179.857 178.704 1.153 25461 736 1 2 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.521 0.699 25461 737 1 2 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.485 -0.277 25461 738 1 2 . 1 1 100 100 GLU H H 100 8.324 8.324 8.429 -0.105 25461 739 1 2 . 1 1 101 101 ARG N N 101 118.451 118.451 117.560 0.891 25461 740 1 2 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.252 -0.379 25461 741 1 2 . 1 1 101 101 ARG C C 101 178.078 178.078 178.233 -0.155 25461 742 1 2 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.689 1.289 25461 743 1 2 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.975 -0.029 25461 744 1 2 . 1 1 101 101 ARG H H 101 8.197 8.197 8.269 -0.072 25461 745 1 2 . 1 1 102 102 TYR N N 102 119.888 119.888 124.207 -4.319 25461 746 1 2 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.471 0.004 25461 747 1 2 . 1 1 102 102 TYR C C 102 180.056 180.056 178.092 1.964 25461 748 1 2 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.363 0.163 25461 749 1 2 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.634 -1.118 25461 750 1 2 . 1 1 102 102 TYR H H 102 8.180 8.180 8.216 -0.036 25461 751 1 2 . 1 1 103 103 LEU N N 103 122.091 122.091 117.694 4.397 25461 752 1 2 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.905 -0.074 25461 753 1 2 . 1 1 103 103 LEU C C 103 178.973 178.973 177.593 1.380 25461 754 1 2 . 1 1 103 103 LEU CA C 103 57.425 57.425 56.960 0.465 25461 755 1 2 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.306 0.316 25461 756 1 2 . 1 1 103 103 LEU H H 103 9.050 9.050 8.512 0.538 25461 757 1 2 . 1 1 104 104 ARG N N 104 116.388 116.388 119.803 -3.415 25461 758 1 2 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.410 -0.034 25461 759 1 2 . 1 1 104 104 ARG C C 104 176.877 176.877 177.101 -0.224 25461 760 1 2 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.118 0.454 25461 761 1 2 . 1 1 104 104 ARG CB C 104 30.478 30.478 31.364 -0.886 25461 762 1 2 . 1 1 104 104 ARG H H 104 7.888 7.888 7.715 0.173 25461 763 1 2 . 1 1 105 105 GLY N N 105 107.432 107.432 108.927 -1.495 25461 764 1 2 . 1 1 105 105 GLY C C 105 174.796 174.796 174.606 0.190 25461 765 1 2 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.818 0.514 25461 766 1 2 . 1 1 105 105 GLY H H 105 7.688 7.688 7.916 -0.228 25461 767 1 2 . 1 1 106 106 ASP N N 106 121.505 121.505 121.562 -0.057 25461 768 1 2 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.716 -0.335 25461 769 1 2 . 1 1 106 106 ASP C C 106 175.595 175.595 176.613 -1.018 25461 770 1 2 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.126 0.911 25461 771 1 2 . 1 1 106 106 ASP CB C 106 40.571 40.571 41.839 -1.268 25461 772 1 2 . 1 1 106 106 ASP H H 106 7.878 7.878 7.957 -0.079 25461 773 1 2 . 1 1 107 107 GLU N N 107 119.581 119.581 118.994 0.587 25461 774 1 2 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.459 -0.077 25461 775 1 2 . 1 1 107 107 GLU C C 107 177.123 177.123 175.540 1.583 25461 776 1 2 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.810 -0.335 25461 777 1 2 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.412 0.110 25461 778 1 2 . 1 1 107 107 GLU H H 107 8.394 8.394 8.406 -0.012 25461 779 1 2 . 1 1 108 108 PHE N N 108 126.975 126.975 121.811 5.164 25461 780 1 2 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.823 -0.201 25461 781 1 2 . 1 1 108 108 PHE C C 108 176.186 176.186 175.295 0.891 25461 782 1 2 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.425 -0.195 25461 783 1 2 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.613 -0.369 25461 784 1 2 . 1 1 108 108 PHE H H 108 9.373 9.373 8.683 0.690 25461 785 1 2 . 1 1 109 109 SER N N 109 121.198 121.198 119.105 2.093 25461 786 1 2 . 1 1 109 109 SER HA H 109 4.582 4.582 4.767 -0.185 25461 787 1 2 . 1 1 109 109 SER C C 109 175.060 175.060 173.471 1.589 25461 788 1 2 . 1 1 109 109 SER CA C 109 58.928 58.928 57.856 1.072 25461 789 1 2 . 1 1 109 109 SER CB C 109 64.213 64.213 65.468 -1.255 25461 790 1 2 . 1 1 109 109 SER H H 109 8.694 8.694 8.421 0.273 25461 791 1 2 . 1 1 110 110 PHE N N 110 121.734 121.734 120.425 1.309 25461 792 1 2 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.605 -0.418 25461 793 1 2 . 1 1 110 110 PHE C C 110 172.930 172.930 173.908 -0.978 25461 794 1 2 . 1 1 110 110 PHE CA C 110 57.749 57.749 56.402 1.347 25461 795 1 2 . 1 1 110 110 PHE CB C 110 38.497 38.497 38.705 -0.208 25461 796 1 2 . 1 1 110 110 PHE H H 110 8.965 8.965 8.786 0.179 25461 797 1 2 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.615 -0.266 25461 798 1 2 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.351 -0.279 25461 799 1 2 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.235 0.083 25461 800 1 2 . 1 1 112 112 PRO C C 112 177.703 177.703 178.042 -0.339 25461 801 1 2 . 1 1 112 112 PRO CA C 112 63.589 63.589 64.071 -0.482 25461 802 1 2 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.326 0.432 25461 803 1 2 . 1 1 113 113 GLY N N 113 110.960 110.960 110.863 0.097 25461 804 1 2 . 1 1 113 113 GLY C C 113 174.074 174.074 175.018 -0.944 25461 805 1 2 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.027 0.133 25461 806 1 2 . 1 1 113 113 GLY H H 113 8.682 8.682 8.327 0.355 25461 807 1 2 . 1 1 114 114 PHE N N 114 120.992 120.992 121.109 -0.117 25461 808 1 2 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.303 0.007 25461 809 1 2 . 1 1 114 114 PHE C C 114 174.567 174.567 176.672 -2.105 25461 810 1 2 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.357 -1.033 25461 811 1 2 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.646 0.503 25461 812 1 2 . 1 1 114 114 PHE H H 114 7.771 7.771 7.888 -0.117 25461 813 1 3 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.000 -0.643 25461 814 1 3 . 1 1 42 42 ALA C C 42 177.825 177.825 177.823 0.002 25461 815 1 3 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.461 0.214 25461 816 1 3 . 1 1 42 42 ALA CB C 42 19.452 19.452 20.456 -1.004 25461 817 1 3 . 1 1 43 43 MET N N 43 119.667 119.667 120.906 -1.239 25461 818 1 3 . 1 1 43 43 MET HA H 43 4.549 4.549 4.421 0.128 25461 819 1 3 . 1 1 43 43 MET C C 43 176.478 176.478 177.007 -0.529 25461 820 1 3 . 1 1 43 43 MET CA C 43 55.344 55.344 56.178 -0.834 25461 821 1 3 . 1 1 43 43 MET CB C 43 33.129 33.129 32.468 0.661 25461 822 1 3 . 1 1 43 43 MET H H 43 8.507 8.507 8.684 -0.177 25461 823 1 3 . 1 1 44 44 GLY N N 44 110.244 110.244 108.466 1.778 25461 824 1 3 . 1 1 44 44 GLY C C 44 172.009 172.009 172.662 -0.653 25461 825 1 3 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.342 0.300 25461 826 1 3 . 1 1 44 44 GLY H H 44 8.251 8.251 8.227 0.024 25461 827 1 3 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.503 -0.070 25461 828 1 3 . 1 1 45 45 PRO C C 45 177.510 177.510 176.121 1.389 25461 829 1 3 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.853 0.552 25461 830 1 3 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.502 -0.396 25461 831 1 3 . 1 1 46 46 GLN N N 46 120.607 120.607 119.611 0.996 25461 832 1 3 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.377 -0.031 25461 833 1 3 . 1 1 46 46 GLN C C 46 176.687 176.687 176.239 0.448 25461 834 1 3 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.114 0.942 25461 835 1 3 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.007 0.416 25461 836 1 3 . 1 1 46 46 GLN H H 46 8.628 8.628 8.308 0.320 25461 837 1 3 . 1 1 47 47 GLY N N 47 110.011 110.011 110.850 -0.839 25461 838 1 3 . 1 1 47 47 GLY C C 47 174.308 174.308 174.646 -0.338 25461 839 1 3 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.217 0.217 25461 840 1 3 . 1 1 47 47 GLY H H 47 8.411 8.411 8.458 -0.047 25461 841 1 3 . 1 1 48 48 SER N N 48 115.646 115.646 117.843 -2.197 25461 842 1 3 . 1 1 48 48 SER HA H 48 4.542 4.542 4.263 0.279 25461 843 1 3 . 1 1 48 48 SER C C 48 175.288 175.288 174.813 0.475 25461 844 1 3 . 1 1 48 48 SER CA C 48 58.437 58.437 58.785 -0.348 25461 845 1 3 . 1 1 48 48 SER CB C 48 63.965 63.965 63.868 0.097 25461 846 1 3 . 1 1 48 48 SER H H 48 8.284 8.284 8.447 -0.163 25461 847 1 3 . 1 1 49 49 THR N N 49 115.928 115.928 115.743 0.185 25461 848 1 3 . 1 1 49 49 THR HA H 49 4.343 4.343 4.520 -0.177 25461 849 1 3 . 1 1 49 49 THR C C 49 174.948 174.948 172.410 2.538 25461 850 1 3 . 1 1 49 49 THR CA C 49 62.294 62.294 61.528 0.766 25461 851 1 3 . 1 1 49 49 THR CB C 49 69.614 69.614 69.708 -0.094 25461 852 1 3 . 1 1 49 49 THR H H 49 8.282 8.282 8.440 -0.158 25461 853 1 3 . 1 1 50 50 GLN N N 50 122.155 122.155 123.712 -1.557 25461 854 1 3 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.533 -0.146 25461 855 1 3 . 1 1 50 50 GLN C C 50 176.071 176.071 174.307 1.764 25461 856 1 3 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.800 0.590 25461 857 1 3 . 1 1 50 50 GLN CB C 50 29.226 29.226 30.351 -1.125 25461 858 1 3 . 1 1 50 50 GLN H H 50 8.401 8.401 8.310 0.091 25461 859 1 3 . 1 1 51 51 ASN N N 51 119.604 119.604 122.025 -2.421 25461 860 1 3 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.693 -0.055 25461 861 1 3 . 1 1 51 51 ASN C C 51 175.275 175.275 175.921 -0.646 25461 862 1 3 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.672 -0.022 25461 863 1 3 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.767 0.090 25461 864 1 3 . 1 1 51 51 ASN H H 51 8.395 8.395 8.655 -0.260 25461 865 1 3 . 1 1 52 52 ALA N N 52 124.054 124.054 120.863 3.191 25461 866 1 3 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.433 -0.171 25461 867 1 3 . 1 1 52 52 ALA C C 52 177.915 177.915 175.133 2.782 25461 868 1 3 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.714 1.377 25461 869 1 3 . 1 1 52 52 ALA CB C 52 19.174 19.174 20.107 -0.933 25461 870 1 3 . 1 1 52 52 ALA H H 52 8.227 8.227 7.787 0.440 25461 871 1 3 . 1 1 53 53 LEU N N 53 120.325 120.325 118.828 1.497 25461 872 1 3 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.651 -0.359 25461 873 1 3 . 1 1 53 53 LEU C C 53 177.531 177.531 175.500 2.031 25461 874 1 3 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.630 0.813 25461 875 1 3 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.160 -1.953 25461 876 1 3 . 1 1 53 53 LEU H H 53 8.097 8.097 8.134 -0.037 25461 877 1 3 . 1 1 54 54 ARG N N 54 121.409 121.409 121.394 0.015 25461 878 1 3 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.589 -0.256 25461 879 1 3 . 1 1 54 54 ARG C C 54 176.332 176.332 175.395 0.937 25461 880 1 3 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.926 0.261 25461 881 1 3 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.821 -0.085 25461 882 1 3 . 1 1 54 54 ARG H H 54 8.155 8.155 8.294 -0.139 25461 883 1 3 . 1 1 55 55 ARG N N 55 122.380 122.380 122.279 0.101 25461 884 1 3 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.572 -0.154 25461 885 1 3 . 1 1 55 55 ARG C C 55 176.563 176.563 175.101 1.462 25461 886 1 3 . 1 1 55 55 ARG CA C 55 56.289 56.289 55.811 0.478 25461 887 1 3 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.365 1.473 25461 888 1 3 . 1 1 55 55 ARG H H 55 8.389 8.389 8.562 -0.173 25461 889 1 3 . 1 1 56 56 THR N N 56 114.693 114.693 114.961 -0.268 25461 890 1 3 . 1 1 56 56 THR HA H 56 4.372 4.372 4.566 -0.194 25461 891 1 3 . 1 1 56 56 THR C C 56 175.062 175.062 174.027 1.035 25461 892 1 3 . 1 1 56 56 THR CA C 56 61.926 61.926 61.488 0.438 25461 893 1 3 . 1 1 56 56 THR CB C 56 70.016 70.016 69.845 0.171 25461 894 1 3 . 1 1 56 56 THR H H 56 8.204 8.204 7.988 0.216 25461 895 1 3 . 1 1 57 57 GLY N N 57 111.042 111.042 110.565 0.477 25461 896 1 3 . 1 1 57 57 GLY C C 57 173.868 173.868 173.225 0.643 25461 897 1 3 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.085 0.206 25461 898 1 3 . 1 1 57 57 GLY H H 57 8.424 8.424 8.606 -0.182 25461 899 1 3 . 1 1 58 58 ARG N N 58 120.824 120.824 120.024 0.800 25461 900 1 3 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.563 -0.177 25461 901 1 3 . 1 1 58 58 ARG C C 58 176.522 176.522 177.397 -0.875 25461 902 1 3 . 1 1 58 58 ARG CA C 58 56.111 56.111 54.754 1.357 25461 903 1 3 . 1 1 58 58 ARG CB C 58 31.074 31.074 31.279 -0.205 25461 904 1 3 . 1 1 58 58 ARG H H 58 8.232 8.232 8.333 -0.101 25461 905 1 3 . 1 1 59 59 VAL N N 59 121.437 121.437 120.549 0.888 25461 906 1 3 . 1 1 59 59 VAL HA H 59 4.120 4.120 3.868 0.252 25461 907 1 3 . 1 1 59 59 VAL C C 59 176.022 176.022 176.312 -0.290 25461 908 1 3 . 1 1 59 59 VAL CA C 59 62.413 62.413 64.109 -1.696 25461 909 1 3 . 1 1 59 59 VAL CB C 59 32.815 32.815 31.594 1.221 25461 910 1 3 . 1 1 59 59 VAL H H 59 8.307 8.307 8.356 -0.049 25461 911 1 3 . 1 1 60 60 ASN N N 60 122.487 122.487 117.446 5.041 25461 912 1 3 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.731 0.006 25461 913 1 3 . 1 1 60 60 ASN C C 60 175.521 175.521 174.936 0.585 25461 914 1 3 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.499 -0.124 25461 915 1 3 . 1 1 60 60 ASN CB C 60 39.098 39.098 39.296 -0.198 25461 916 1 3 . 1 1 60 60 ASN H H 60 8.593 8.593 7.786 0.807 25461 917 1 3 . 1 1 61 61 GLY N N 61 109.681 109.681 106.119 3.562 25461 918 1 3 . 1 1 61 61 GLY C C 61 174.361 174.361 173.492 0.869 25461 919 1 3 . 1 1 61 61 GLY CA C 61 45.499 45.499 43.905 1.594 25461 920 1 3 . 1 1 61 61 GLY H H 61 8.407 8.407 8.528 -0.121 25461 921 1 3 . 1 1 62 62 GLY N N 62 108.197 108.197 108.081 0.116 25461 922 1 3 . 1 1 62 62 GLY C C 62 173.866 173.866 173.119 0.747 25461 923 1 3 . 1 1 62 62 GLY CA C 62 45.112 45.112 45.575 -0.463 25461 924 1 3 . 1 1 62 62 GLY H H 62 8.209 8.209 7.920 0.289 25461 925 1 3 . 1 1 63 63 HIS N N 63 121.370 121.370 120.877 0.493 25461 926 1 3 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.013 -0.214 25461 927 1 3 . 1 1 63 63 HIS C C 63 173.562 173.562 173.443 0.119 25461 928 1 3 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.971 0.875 25461 929 1 3 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.937 -1.765 25461 930 1 3 . 1 1 63 63 HIS H H 63 8.587 8.587 8.506 0.081 25461 931 1 3 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.556 -0.095 25461 932 1 3 . 1 1 64 64 PRO C C 64 176.406 176.406 176.145 0.261 25461 933 1 3 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.941 0.147 25461 934 1 3 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.373 -0.370 25461 935 1 3 . 1 1 65 65 VAL N N 65 122.214 122.214 116.757 5.457 25461 936 1 3 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.739 -0.385 25461 937 1 3 . 1 1 65 65 VAL C C 65 176.217 176.217 175.304 0.913 25461 938 1 3 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.578 2.655 25461 939 1 3 . 1 1 65 65 VAL CB C 65 34.354 34.354 35.065 -0.711 25461 940 1 3 . 1 1 65 65 VAL H H 65 8.436 8.436 8.182 0.254 25461 941 1 3 . 1 1 66 66 THR N N 66 118.215 118.215 114.594 3.621 25461 942 1 3 . 1 1 66 66 THR HA H 66 4.844 4.844 4.670 0.174 25461 943 1 3 . 1 1 66 66 THR C C 66 175.632 175.632 175.153 0.479 25461 944 1 3 . 1 1 66 66 THR CA C 66 59.250 59.250 59.969 -0.719 25461 945 1 3 . 1 1 66 66 THR CB C 66 71.632 71.632 71.583 0.049 25461 946 1 3 . 1 1 66 66 THR H H 66 7.765 7.765 8.199 -0.434 25461 947 1 3 . 1 1 67 67 THR N N 67 116.809 116.809 117.155 -0.346 25461 948 1 3 . 1 1 67 67 THR HA H 67 3.846 3.846 3.912 -0.066 25461 949 1 3 . 1 1 67 67 THR C C 67 176.323 176.323 176.290 0.033 25461 950 1 3 . 1 1 67 67 THR CA C 67 66.206 66.206 66.203 0.003 25461 951 1 3 . 1 1 67 67 THR CB C 67 68.417 68.417 68.733 -0.315 25461 952 1 3 . 1 1 67 67 THR H H 67 8.901 8.901 8.471 0.430 25461 953 1 3 . 1 1 68 68 GLN N N 68 120.255 120.255 119.580 0.675 25461 954 1 3 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.254 -0.171 25461 955 1 3 . 1 1 68 68 GLN C C 68 179.056 179.056 178.170 0.886 25461 956 1 3 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.661 0.993 25461 957 1 3 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.893 0.038 25461 958 1 3 . 1 1 68 68 GLN H H 68 8.290 8.290 8.816 -0.526 25461 959 1 3 . 1 1 69 69 MET N N 69 120.434 120.434 119.223 1.211 25461 960 1 3 . 1 1 69 69 MET HA H 69 3.918 3.918 4.185 -0.267 25461 961 1 3 . 1 1 69 69 MET C C 69 177.390 177.390 178.152 -0.762 25461 962 1 3 . 1 1 69 69 MET CA C 69 59.757 59.757 59.155 0.602 25461 963 1 3 . 1 1 69 69 MET CB C 69 35.178 35.178 32.267 2.911 25461 964 1 3 . 1 1 69 69 MET H H 69 7.718 7.718 7.857 -0.139 25461 965 1 3 . 1 1 70 70 VAL N N 70 118.137 118.137 119.109 -0.972 25461 966 1 3 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.623 -0.289 25461 967 1 3 . 1 1 70 70 VAL C C 70 177.985 177.985 178.288 -0.303 25461 968 1 3 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.337 0.037 25461 969 1 3 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.771 0.918 25461 970 1 3 . 1 1 70 70 VAL H H 70 7.322 7.322 7.357 -0.035 25461 971 1 3 . 1 1 71 71 GLU N N 71 118.717 118.717 119.011 -0.294 25461 972 1 3 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.910 0.022 25461 973 1 3 . 1 1 71 71 GLU C C 71 178.984 178.984 178.957 0.027 25461 974 1 3 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.562 -0.234 25461 975 1 3 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.755 0.827 25461 976 1 3 . 1 1 71 71 GLU H H 71 8.446 8.446 8.541 -0.095 25461 977 1 3 . 1 1 72 72 THR N N 72 116.413 116.413 117.862 -1.449 25461 978 1 3 . 1 1 72 72 THR HA H 72 3.885 3.885 3.925 -0.040 25461 979 1 3 . 1 1 72 72 THR C C 72 176.837 176.837 176.558 0.279 25461 980 1 3 . 1 1 72 72 THR CA C 72 66.924 66.924 67.201 -0.277 25461 981 1 3 . 1 1 72 72 THR CB C 72 68.594 68.594 68.537 0.057 25461 982 1 3 . 1 1 72 72 THR H H 72 8.055 8.055 7.826 0.229 25461 983 1 3 . 1 1 73 73 VAL N N 73 119.440 119.440 121.447 -2.007 25461 984 1 3 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.413 -0.052 25461 985 1 3 . 1 1 73 73 VAL C C 73 177.119 177.119 177.660 -0.541 25461 986 1 3 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.871 -0.397 25461 987 1 3 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.489 -0.576 25461 988 1 3 . 1 1 73 73 VAL H H 73 7.521 7.521 7.844 -0.323 25461 989 1 3 . 1 1 74 74 GLN N N 74 120.105 120.105 118.770 1.335 25461 990 1 3 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.945 -0.304 25461 991 1 3 . 1 1 74 74 GLN C C 74 177.761 177.761 178.365 -0.604 25461 992 1 3 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.646 0.078 25461 993 1 3 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.325 0.972 25461 994 1 3 . 1 1 74 74 GLN H H 74 8.884 8.884 8.339 0.545 25461 995 1 3 . 1 1 75 75 ASN N N 75 113.460 113.460 117.808 -4.348 25461 996 1 3 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.435 -0.073 25461 997 1 3 . 1 1 75 75 ASN C C 75 176.122 176.122 177.574 -1.452 25461 998 1 3 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.789 -0.298 25461 999 1 3 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.518 0.454 25461 1000 1 3 . 1 1 75 75 ASN H H 75 7.472 7.472 8.182 -0.710 25461 1001 1 3 . 1 1 76 76 LEU N N 76 118.225 118.225 116.657 1.568 25461 1002 1 3 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.380 -0.073 25461 1003 1 3 . 1 1 76 76 LEU C C 76 175.358 175.358 176.278 -0.920 25461 1004 1 3 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.929 -0.551 25461 1005 1 3 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.623 0.813 25461 1006 1 3 . 1 1 76 76 LEU H H 76 7.130 7.130 7.553 -0.423 25461 1007 1 3 . 1 1 77 77 ALA N N 77 122.753 122.753 119.396 3.357 25461 1008 1 3 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.577 -0.131 25461 1009 1 3 . 1 1 77 77 ALA C C 77 173.976 173.976 175.045 -1.069 25461 1010 1 3 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.889 0.533 25461 1011 1 3 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.816 -1.433 25461 1012 1 3 . 1 1 77 77 ALA H H 77 7.784 7.784 7.813 -0.029 25461 1013 1 3 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.390 -0.004 25461 1014 1 3 . 1 1 78 78 PRO C C 78 177.311 177.311 177.124 0.187 25461 1015 1 3 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.194 0.404 25461 1016 1 3 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.928 0.213 25461 1017 1 3 . 1 1 79 79 ASN N N 79 111.571 111.571 115.223 -3.652 25461 1018 1 3 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.641 0.113 25461 1019 1 3 . 1 1 79 79 ASN C C 79 175.765 175.765 175.891 -0.126 25461 1020 1 3 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.621 -0.459 25461 1021 1 3 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.207 -1.325 25461 1022 1 3 . 1 1 79 79 ASN H H 79 7.868 7.868 8.158 -0.290 25461 1023 1 3 . 1 1 80 80 LEU N N 80 119.219 119.219 118.867 0.352 25461 1024 1 3 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.193 0.175 25461 1025 1 3 . 1 1 80 80 LEU C C 80 175.715 175.715 176.322 -0.607 25461 1026 1 3 . 1 1 80 80 LEU CA C 80 53.849 53.849 54.085 -0.236 25461 1027 1 3 . 1 1 80 80 LEU CB C 80 43.172 43.172 42.613 0.559 25461 1028 1 3 . 1 1 80 80 LEU H H 80 7.176 7.176 7.324 -0.148 25461 1029 1 3 . 1 1 81 81 HIS N N 81 123.894 123.894 121.576 2.318 25461 1030 1 3 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.656 0.086 25461 1031 1 3 . 1 1 81 81 HIS C C 81 176.185 176.185 174.919 1.266 25461 1032 1 3 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.143 0.349 25461 1033 1 3 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.210 0.966 25461 1034 1 3 . 1 1 81 81 HIS H H 81 9.023 9.023 8.360 0.663 25461 1035 1 3 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.429 -0.416 25461 1036 1 3 . 1 1 82 82 PRO C C 82 178.774 178.774 178.174 0.600 25461 1037 1 3 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.038 1.357 25461 1038 1 3 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.343 -0.307 25461 1039 1 3 . 1 1 83 83 GLU N N 83 120.128 120.128 118.767 1.361 25461 1040 1 3 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.262 0.148 25461 1041 1 3 . 1 1 83 83 GLU C C 83 181.651 181.651 178.715 2.936 25461 1042 1 3 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.952 0.277 25461 1043 1 3 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.873 -0.577 25461 1044 1 3 . 1 1 83 83 GLU H H 83 11.938 11.938 8.509 3.429 25461 1045 1 3 . 1 1 84 84 GLN N N 84 117.052 117.052 118.940 -1.888 25461 1046 1 3 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.817 0.164 25461 1047 1 3 . 1 1 84 84 GLN C C 84 179.958 179.958 178.653 1.305 25461 1048 1 3 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.430 0.520 25461 1049 1 3 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.335 2.334 25461 1050 1 3 . 1 1 84 84 GLN H H 84 7.467 7.467 7.273 0.194 25461 1051 1 3 . 1 1 85 85 ILE N N 85 120.448 120.448 120.540 -0.092 25461 1052 1 3 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.644 -0.311 25461 1053 1 3 . 1 1 85 85 ILE C C 85 176.960 176.960 177.517 -0.557 25461 1054 1 3 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.944 0.584 25461 1055 1 3 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.411 0.401 25461 1056 1 3 . 1 1 85 85 ILE H H 85 7.750 7.750 7.500 0.250 25461 1057 1 3 . 1 1 86 86 ARG N N 86 119.593 119.593 119.398 0.195 25461 1058 1 3 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.916 -0.193 25461 1059 1 3 . 1 1 86 86 ARG C C 86 177.115 177.115 178.250 -1.135 25461 1060 1 3 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.466 1.353 25461 1061 1 3 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.319 0.907 25461 1062 1 3 . 1 1 86 86 ARG H H 86 8.868 8.868 8.142 0.726 25461 1063 1 3 . 1 1 87 87 TYR N N 87 116.869 116.869 119.729 -2.860 25461 1064 1 3 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.266 0.234 25461 1065 1 3 . 1 1 87 87 TYR C C 87 177.597 177.597 177.732 -0.135 25461 1066 1 3 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.413 -0.291 25461 1067 1 3 . 1 1 87 87 TYR CB C 87 38.435 38.435 37.905 0.530 25461 1068 1 3 . 1 1 87 87 TYR H H 87 7.684 7.684 7.691 -0.007 25461 1069 1 3 . 1 1 88 88 SER N N 88 110.655 110.655 115.474 -4.819 25461 1070 1 3 . 1 1 88 88 SER HA H 88 4.155 4.155 3.790 0.365 25461 1071 1 3 . 1 1 88 88 SER C C 88 177.666 177.666 176.457 1.209 25461 1072 1 3 . 1 1 88 88 SER CA C 88 61.207 61.207 62.408 -1.201 25461 1073 1 3 . 1 1 88 88 SER CB C 88 62.880 62.880 62.999 -0.119 25461 1074 1 3 . 1 1 88 88 SER H H 88 7.510 7.510 8.103 -0.593 25461 1075 1 3 . 1 1 89 89 LEU N N 89 119.356 119.356 121.752 -2.396 25461 1076 1 3 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.087 0.106 25461 1077 1 3 . 1 1 89 89 LEU C C 89 180.057 180.057 179.759 0.298 25461 1078 1 3 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.876 -0.499 25461 1079 1 3 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.682 1.663 25461 1080 1 3 . 1 1 89 89 LEU H H 89 8.522 8.522 8.620 -0.098 25461 1081 1 3 . 1 1 90 90 GLU N N 90 120.190 120.190 119.349 0.841 25461 1082 1 3 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.259 -0.143 25461 1083 1 3 . 1 1 90 90 GLU C C 90 177.812 177.812 179.114 -1.302 25461 1084 1 3 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.422 -0.380 25461 1085 1 3 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.380 0.612 25461 1086 1 3 . 1 1 90 90 GLU H H 90 8.511 8.511 7.988 0.523 25461 1087 1 3 . 1 1 91 91 ASN N N 91 115.736 115.736 118.274 -2.538 25461 1088 1 3 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.506 0.180 25461 1089 1 3 . 1 1 91 91 ASN C C 91 177.109 177.109 178.117 -1.008 25461 1090 1 3 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.205 -0.515 25461 1091 1 3 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.769 1.717 25461 1092 1 3 . 1 1 91 91 ASN H H 91 7.465 7.465 7.815 -0.350 25461 1093 1 3 . 1 1 92 92 THR N N 92 110.330 110.330 110.748 -0.418 25461 1094 1 3 . 1 1 92 92 THR HA H 92 4.142 4.142 4.234 -0.092 25461 1095 1 3 . 1 1 92 92 THR C C 92 176.599 176.599 176.348 0.251 25461 1096 1 3 . 1 1 92 92 THR CA C 92 62.581 62.581 64.377 -1.796 25461 1097 1 3 . 1 1 92 92 THR CB C 92 70.198 70.198 70.039 0.159 25461 1098 1 3 . 1 1 92 92 THR H H 92 9.251 9.251 8.249 1.002 25461 1099 1 3 . 1 1 93 93 GLY N N 93 112.211 112.211 110.950 1.261 25461 1100 1 3 . 1 1 93 93 GLY C C 93 174.132 174.132 173.755 0.377 25461 1101 1 3 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.189 0.482 25461 1102 1 3 . 1 1 93 93 GLY H H 93 8.682 8.682 8.254 0.428 25461 1103 1 3 . 1 1 94 94 SER N N 94 111.808 111.808 115.595 -3.787 25461 1104 1 3 . 1 1 94 94 SER HA H 94 4.784 4.784 4.742 0.042 25461 1105 1 3 . 1 1 94 94 SER C C 94 173.862 173.862 174.270 -0.408 25461 1106 1 3 . 1 1 94 94 SER CA C 94 56.221 56.221 57.437 -1.216 25461 1107 1 3 . 1 1 94 94 SER CB C 94 64.454 64.454 66.079 -1.625 25461 1108 1 3 . 1 1 94 94 SER H H 94 8.058 8.058 7.323 0.735 25461 1109 1 3 . 1 1 95 95 VAL N N 95 129.818 129.818 126.606 3.212 25461 1110 1 3 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.613 -0.256 25461 1111 1 3 . 1 1 95 95 VAL C C 95 176.909 176.909 177.391 -0.482 25461 1112 1 3 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.342 -0.536 25461 1113 1 3 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.530 0.789 25461 1114 1 3 . 1 1 95 95 VAL H H 95 8.983 8.983 8.873 0.110 25461 1115 1 3 . 1 1 96 96 GLU N N 96 117.745 117.745 118.515 -0.770 25461 1116 1 3 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.858 -0.034 25461 1117 1 3 . 1 1 96 96 GLU C C 96 179.126 179.126 178.450 0.676 25461 1118 1 3 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.900 0.925 25461 1119 1 3 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.811 0.198 25461 1120 1 3 . 1 1 96 96 GLU H H 96 8.673 8.673 8.633 0.040 25461 1121 1 3 . 1 1 97 97 GLU N N 97 120.049 120.049 120.338 -0.289 25461 1122 1 3 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.136 0.010 25461 1123 1 3 . 1 1 97 97 GLU C C 97 178.947 178.947 178.681 0.266 25461 1124 1 3 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.061 -0.120 25461 1125 1 3 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.612 1.132 25461 1126 1 3 . 1 1 97 97 GLU H H 97 8.125 8.125 8.494 -0.369 25461 1127 1 3 . 1 1 98 98 THR N N 98 118.623 118.623 116.826 1.797 25461 1128 1 3 . 1 1 98 98 THR HA H 98 3.805 3.805 4.100 -0.295 25461 1129 1 3 . 1 1 98 98 THR C C 98 175.676 175.676 176.709 -1.033 25461 1130 1 3 . 1 1 98 98 THR CA C 98 70.162 70.162 67.199 2.963 25461 1131 1 3 . 1 1 98 98 THR CB C 98 69.317 69.317 68.490 0.827 25461 1132 1 3 . 1 1 98 98 THR H H 98 8.038 8.038 7.671 0.367 25461 1133 1 3 . 1 1 99 99 VAL N N 99 120.683 120.683 121.104 -0.421 25461 1134 1 3 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.818 -0.277 25461 1135 1 3 . 1 1 99 99 VAL C C 99 177.456 177.456 177.619 -0.163 25461 1136 1 3 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.432 1.492 25461 1137 1 3 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.968 0.598 25461 1138 1 3 . 1 1 99 99 VAL H H 99 8.724 8.724 8.179 0.545 25461 1139 1 3 . 1 1 100 100 GLU N N 100 120.914 120.914 119.745 1.169 25461 1140 1 3 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.170 -0.156 25461 1141 1 3 . 1 1 100 100 GLU C C 100 179.857 179.857 178.868 0.989 25461 1142 1 3 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.398 0.822 25461 1143 1 3 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.372 -0.164 25461 1144 1 3 . 1 1 100 100 GLU H H 100 8.324 8.324 8.274 0.050 25461 1145 1 3 . 1 1 101 101 ARG N N 101 118.451 118.451 117.759 0.692 25461 1146 1 3 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.243 -0.370 25461 1147 1 3 . 1 1 101 101 ARG C C 101 178.078 178.078 177.994 0.084 25461 1148 1 3 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.878 1.100 25461 1149 1 3 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.984 -0.038 25461 1150 1 3 . 1 1 101 101 ARG H H 101 8.197 8.197 8.215 -0.018 25461 1151 1 3 . 1 1 102 102 TYR N N 102 119.888 119.888 124.069 -4.181 25461 1152 1 3 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.332 0.143 25461 1153 1 3 . 1 1 102 102 TYR C C 102 180.056 180.056 177.868 2.188 25461 1154 1 3 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.236 0.290 25461 1155 1 3 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.405 -0.889 25461 1156 1 3 . 1 1 102 102 TYR H H 102 8.180 8.180 8.231 -0.051 25461 1157 1 3 . 1 1 103 103 LEU N N 103 122.091 122.091 117.863 4.228 25461 1158 1 3 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.719 0.112 25461 1159 1 3 . 1 1 103 103 LEU C C 103 178.973 178.973 177.778 1.195 25461 1160 1 3 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.094 0.330 25461 1161 1 3 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.294 0.328 25461 1162 1 3 . 1 1 103 103 LEU H H 103 9.050 9.050 8.098 0.952 25461 1163 1 3 . 1 1 104 104 ARG N N 104 116.388 116.388 119.654 -3.266 25461 1164 1 3 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.312 0.064 25461 1165 1 3 . 1 1 104 104 ARG C C 104 176.877 176.877 177.452 -0.575 25461 1166 1 3 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.079 0.493 25461 1167 1 3 . 1 1 104 104 ARG CB C 104 30.478 30.478 31.141 -0.663 25461 1168 1 3 . 1 1 104 104 ARG H H 104 7.888 7.888 7.549 0.339 25461 1169 1 3 . 1 1 105 105 GLY N N 105 107.432 107.432 110.292 -2.860 25461 1170 1 3 . 1 1 105 105 GLY C C 105 174.796 174.796 174.601 0.195 25461 1171 1 3 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.450 -0.118 25461 1172 1 3 . 1 1 105 105 GLY H H 105 7.688 7.688 8.087 -0.399 25461 1173 1 3 . 1 1 106 106 ASP N N 106 121.505 121.505 120.721 0.784 25461 1174 1 3 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.655 -0.274 25461 1175 1 3 . 1 1 106 106 ASP C C 106 175.595 175.595 176.335 -0.740 25461 1176 1 3 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.559 0.478 25461 1177 1 3 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.367 -1.796 25461 1178 1 3 . 1 1 106 106 ASP H H 106 7.878 7.878 7.892 -0.014 25461 1179 1 3 . 1 1 107 107 GLU N N 107 119.581 119.581 118.564 1.017 25461 1180 1 3 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.481 -0.099 25461 1181 1 3 . 1 1 107 107 GLU C C 107 177.123 177.123 175.515 1.608 25461 1182 1 3 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.943 -0.468 25461 1183 1 3 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.115 0.407 25461 1184 1 3 . 1 1 107 107 GLU H H 107 8.394 8.394 8.416 -0.022 25461 1185 1 3 . 1 1 108 108 PHE N N 108 126.975 126.975 123.277 3.698 25461 1186 1 3 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.872 -0.250 25461 1187 1 3 . 1 1 108 108 PHE C C 108 176.186 176.186 175.423 0.763 25461 1188 1 3 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.350 -0.120 25461 1189 1 3 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.629 -0.385 25461 1190 1 3 . 1 1 108 108 PHE H H 108 9.373 9.373 8.782 0.591 25461 1191 1 3 . 1 1 109 109 SER N N 109 121.198 121.198 118.306 2.892 25461 1192 1 3 . 1 1 109 109 SER HA H 109 4.582 4.582 4.845 -0.263 25461 1193 1 3 . 1 1 109 109 SER C C 109 175.060 175.060 173.165 1.895 25461 1194 1 3 . 1 1 109 109 SER CA C 109 58.928 58.928 57.124 1.804 25461 1195 1 3 . 1 1 109 109 SER CB C 109 64.213 64.213 65.185 -0.972 25461 1196 1 3 . 1 1 109 109 SER H H 109 8.694 8.694 8.515 0.179 25461 1197 1 3 . 1 1 110 110 PHE N N 110 121.734 121.734 119.807 1.927 25461 1198 1 3 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.635 -0.448 25461 1199 1 3 . 1 1 110 110 PHE C C 110 172.930 172.930 173.691 -0.761 25461 1200 1 3 . 1 1 110 110 PHE CA C 110 57.749 57.749 56.278 1.471 25461 1201 1 3 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.493 -0.996 25461 1202 1 3 . 1 1 110 110 PHE H H 110 8.965 8.965 8.670 0.295 25461 1203 1 3 . 1 1 111 111 PRO HA H 111 3.349 3.349 4.132 -0.783 25461 1204 1 3 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.416 -0.344 25461 1205 1 3 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.296 0.022 25461 1206 1 3 . 1 1 112 112 PRO C C 112 177.703 177.703 178.387 -0.684 25461 1207 1 3 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.109 0.480 25461 1208 1 3 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.915 -0.157 25461 1209 1 3 . 1 1 113 113 GLY N N 113 110.960 110.960 109.643 1.317 25461 1210 1 3 . 1 1 113 113 GLY C C 113 174.074 174.074 175.003 -0.929 25461 1211 1 3 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.075 0.085 25461 1212 1 3 . 1 1 113 113 GLY H H 113 8.682 8.682 8.744 -0.062 25461 1213 1 3 . 1 1 114 114 PHE N N 114 120.992 120.992 121.226 -0.234 25461 1214 1 3 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.350 -0.040 25461 1215 1 3 . 1 1 114 114 PHE C C 114 174.567 174.567 176.805 -2.238 25461 1216 1 3 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.050 -0.726 25461 1217 1 3 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.677 0.472 25461 1218 1 3 . 1 1 114 114 PHE H H 114 7.771 7.771 7.740 0.031 25461 1219 1 4 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.966 -0.609 25461 1220 1 4 . 1 1 42 42 ALA C C 42 177.825 177.825 177.767 0.058 25461 1221 1 4 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.974 -0.300 25461 1222 1 4 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.374 0.078 25461 1223 1 4 . 1 1 43 43 MET N N 43 119.667 119.667 120.901 -1.234 25461 1224 1 4 . 1 1 43 43 MET HA H 43 4.549 4.549 4.802 -0.253 25461 1225 1 4 . 1 1 43 43 MET C C 43 176.478 176.478 176.167 0.311 25461 1226 1 4 . 1 1 43 43 MET CA C 43 55.344 55.344 54.884 0.460 25461 1227 1 4 . 1 1 43 43 MET CB C 43 33.129 33.129 34.110 -0.981 25461 1228 1 4 . 1 1 43 43 MET H H 43 8.507 8.507 8.305 0.202 25461 1229 1 4 . 1 1 44 44 GLY N N 44 110.244 110.244 109.204 1.040 25461 1230 1 4 . 1 1 44 44 GLY C C 44 172.009 172.009 173.209 -1.200 25461 1231 1 4 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.259 0.383 25461 1232 1 4 . 1 1 44 44 GLY H H 44 8.251 8.251 8.415 -0.164 25461 1233 1 4 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.581 -0.148 25461 1234 1 4 . 1 1 45 45 PRO C C 45 177.510 177.510 176.291 1.219 25461 1235 1 4 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.887 0.518 25461 1236 1 4 . 1 1 45 45 PRO CB C 45 32.106 32.106 33.145 -1.039 25461 1237 1 4 . 1 1 46 46 GLN N N 46 120.607 120.607 118.185 2.422 25461 1238 1 4 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.582 -0.236 25461 1239 1 4 . 1 1 46 46 GLN C C 46 176.687 176.687 176.251 0.436 25461 1240 1 4 . 1 1 46 46 GLN CA C 46 56.056 56.056 56.176 -0.120 25461 1241 1 4 . 1 1 46 46 GLN CB C 46 29.423 29.423 30.052 -0.628 25461 1242 1 4 . 1 1 46 46 GLN H H 46 8.628 8.628 8.922 -0.294 25461 1243 1 4 . 1 1 47 47 GLY N N 47 110.011 110.011 108.168 1.843 25461 1244 1 4 . 1 1 47 47 GLY C C 47 174.308 174.308 173.188 1.120 25461 1245 1 4 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.652 0.782 25461 1246 1 4 . 1 1 47 47 GLY H H 47 8.411 8.411 7.680 0.731 25461 1247 1 4 . 1 1 48 48 SER N N 48 115.646 115.646 115.368 0.278 25461 1248 1 4 . 1 1 48 48 SER HA H 48 4.542 4.542 4.534 0.008 25461 1249 1 4 . 1 1 48 48 SER C C 48 175.288 175.288 173.779 1.509 25461 1250 1 4 . 1 1 48 48 SER CA C 48 58.437 58.437 58.294 0.143 25461 1251 1 4 . 1 1 48 48 SER CB C 48 63.965 63.965 63.881 0.084 25461 1252 1 4 . 1 1 48 48 SER H H 48 8.284 8.284 8.282 0.002 25461 1253 1 4 . 1 1 49 49 THR N N 49 115.928 115.928 117.586 -1.658 25461 1254 1 4 . 1 1 49 49 THR HA H 49 4.343 4.343 4.281 0.062 25461 1255 1 4 . 1 1 49 49 THR C C 49 174.948 174.948 173.400 1.548 25461 1256 1 4 . 1 1 49 49 THR CA C 49 62.294 62.294 63.145 -0.851 25461 1257 1 4 . 1 1 49 49 THR CB C 49 69.614 69.614 69.030 0.584 25461 1258 1 4 . 1 1 49 49 THR H H 49 8.282 8.282 7.666 0.616 25461 1259 1 4 . 1 1 50 50 GLN N N 50 122.155 122.155 123.442 -1.287 25461 1260 1 4 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.527 -0.140 25461 1261 1 4 . 1 1 50 50 GLN C C 50 176.071 176.071 174.177 1.894 25461 1262 1 4 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.646 0.744 25461 1263 1 4 . 1 1 50 50 GLN CB C 50 29.226 29.226 30.049 -0.823 25461 1264 1 4 . 1 1 50 50 GLN H H 50 8.401 8.401 8.130 0.271 25461 1265 1 4 . 1 1 51 51 ASN N N 51 119.604 119.604 116.307 3.297 25461 1266 1 4 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.738 -0.100 25461 1267 1 4 . 1 1 51 51 ASN C C 51 175.275 175.275 175.593 -0.318 25461 1268 1 4 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.292 0.358 25461 1269 1 4 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.198 -0.341 25461 1270 1 4 . 1 1 51 51 ASN H H 51 8.395 8.395 8.927 -0.532 25461 1271 1 4 . 1 1 52 52 ALA N N 52 124.054 124.054 125.212 -1.158 25461 1272 1 4 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.585 -0.323 25461 1273 1 4 . 1 1 52 52 ALA C C 52 177.915 177.915 175.574 2.341 25461 1274 1 4 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.464 1.627 25461 1275 1 4 . 1 1 52 52 ALA CB C 52 19.174 19.174 18.489 0.685 25461 1276 1 4 . 1 1 52 52 ALA H H 52 8.227 8.227 8.239 -0.012 25461 1277 1 4 . 1 1 53 53 LEU N N 53 120.325 120.325 124.479 -4.154 25461 1278 1 4 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.497 -0.205 25461 1279 1 4 . 1 1 53 53 LEU C C 53 177.531 177.531 176.400 1.131 25461 1280 1 4 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.483 0.959 25461 1281 1 4 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.498 -0.291 25461 1282 1 4 . 1 1 53 53 LEU H H 53 8.097 8.097 8.153 -0.056 25461 1283 1 4 . 1 1 54 54 ARG N N 54 121.409 121.409 119.743 1.666 25461 1284 1 4 . 1 1 54 54 ARG HA H 54 4.333 4.333 3.918 0.415 25461 1285 1 4 . 1 1 54 54 ARG C C 54 176.332 176.332 175.247 1.085 25461 1286 1 4 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.888 -0.701 25461 1287 1 4 . 1 1 54 54 ARG CB C 54 30.736 30.736 27.338 3.398 25461 1288 1 4 . 1 1 54 54 ARG H H 54 8.155 8.155 8.565 -0.410 25461 1289 1 4 . 1 1 55 55 ARG N N 55 122.380 122.380 118.513 3.867 25461 1290 1 4 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.179 0.239 25461 1291 1 4 . 1 1 55 55 ARG C C 55 176.563 176.563 176.406 0.157 25461 1292 1 4 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.527 -0.238 25461 1293 1 4 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.877 -0.039 25461 1294 1 4 . 1 1 55 55 ARG H H 55 8.389 8.389 7.849 0.540 25461 1295 1 4 . 1 1 56 56 THR N N 56 114.693 114.693 113.085 1.608 25461 1296 1 4 . 1 1 56 56 THR HA H 56 4.372 4.372 4.397 -0.025 25461 1297 1 4 . 1 1 56 56 THR C C 56 175.062 175.062 174.474 0.588 25461 1298 1 4 . 1 1 56 56 THR CA C 56 61.926 61.926 61.823 0.103 25461 1299 1 4 . 1 1 56 56 THR CB C 56 70.016 70.016 69.230 0.786 25461 1300 1 4 . 1 1 56 56 THR H H 56 8.204 8.204 8.272 -0.068 25461 1301 1 4 . 1 1 57 57 GLY N N 57 111.042 111.042 111.951 -0.909 25461 1302 1 4 . 1 1 57 57 GLY C C 57 173.868 173.868 173.765 0.103 25461 1303 1 4 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.048 0.243 25461 1304 1 4 . 1 1 57 57 GLY H H 57 8.424 8.424 8.166 0.258 25461 1305 1 4 . 1 1 58 58 ARG N N 58 120.824 120.824 121.700 -0.876 25461 1306 1 4 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.390 -0.004 25461 1307 1 4 . 1 1 58 58 ARG C C 58 176.522 176.522 175.929 0.593 25461 1308 1 4 . 1 1 58 58 ARG CA C 58 56.111 56.111 54.983 1.128 25461 1309 1 4 . 1 1 58 58 ARG CB C 58 31.074 31.074 28.622 2.452 25461 1310 1 4 . 1 1 58 58 ARG H H 58 8.232 8.232 8.590 -0.358 25461 1311 1 4 . 1 1 59 59 VAL N N 59 121.437 121.437 122.238 -0.801 25461 1312 1 4 . 1 1 59 59 VAL HA H 59 4.120 4.120 3.684 0.436 25461 1313 1 4 . 1 1 59 59 VAL C C 59 176.022 176.022 175.642 0.380 25461 1314 1 4 . 1 1 59 59 VAL CA C 59 62.413 62.413 63.161 -0.748 25461 1315 1 4 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.501 0.314 25461 1316 1 4 . 1 1 59 59 VAL H H 59 8.307 8.307 7.941 0.366 25461 1317 1 4 . 1 1 60 60 ASN N N 60 122.487 122.487 120.368 2.119 25461 1318 1 4 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.462 0.275 25461 1319 1 4 . 1 1 60 60 ASN C C 60 175.521 175.521 176.094 -0.573 25461 1320 1 4 . 1 1 60 60 ASN CA C 60 53.375 53.375 54.154 -0.779 25461 1321 1 4 . 1 1 60 60 ASN CB C 60 39.098 39.098 37.461 1.637 25461 1322 1 4 . 1 1 60 60 ASN H H 60 8.593 8.593 8.736 -0.143 25461 1323 1 4 . 1 1 61 61 GLY N N 61 109.681 109.681 107.453 2.228 25461 1324 1 4 . 1 1 61 61 GLY C C 61 174.361 174.361 173.599 0.762 25461 1325 1 4 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.780 0.719 25461 1326 1 4 . 1 1 61 61 GLY H H 61 8.407 8.407 8.000 0.407 25461 1327 1 4 . 1 1 62 62 GLY N N 62 108.197 108.197 107.199 0.998 25461 1328 1 4 . 1 1 62 62 GLY C C 62 173.866 173.866 172.150 1.716 25461 1329 1 4 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.856 0.256 25461 1330 1 4 . 1 1 62 62 GLY H H 62 8.209 8.209 7.450 0.759 25461 1331 1 4 . 1 1 63 63 HIS N N 63 121.370 121.370 118.984 2.386 25461 1332 1 4 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.060 -0.261 25461 1333 1 4 . 1 1 63 63 HIS C C 63 173.562 173.562 173.343 0.219 25461 1334 1 4 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.013 0.833 25461 1335 1 4 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.459 -2.287 25461 1336 1 4 . 1 1 63 63 HIS H H 63 8.587 8.587 8.019 0.568 25461 1337 1 4 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.515 -0.054 25461 1338 1 4 . 1 1 64 64 PRO C C 64 176.406 176.406 176.107 0.299 25461 1339 1 4 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.081 0.007 25461 1340 1 4 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.020 -0.017 25461 1341 1 4 . 1 1 65 65 VAL N N 65 122.214 122.214 119.045 3.169 25461 1342 1 4 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.655 -0.301 25461 1343 1 4 . 1 1 65 65 VAL C C 65 176.217 176.217 175.268 0.949 25461 1344 1 4 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.588 2.645 25461 1345 1 4 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.271 0.083 25461 1346 1 4 . 1 1 65 65 VAL H H 65 8.436 8.436 8.209 0.227 25461 1347 1 4 . 1 1 66 66 THR N N 66 118.215 118.215 113.905 4.310 25461 1348 1 4 . 1 1 66 66 THR HA H 66 4.844 4.844 4.775 0.069 25461 1349 1 4 . 1 1 66 66 THR C C 66 175.632 175.632 174.680 0.952 25461 1350 1 4 . 1 1 66 66 THR CA C 66 59.250 59.250 59.990 -0.740 25461 1351 1 4 . 1 1 66 66 THR CB C 66 71.632 71.632 71.317 0.315 25461 1352 1 4 . 1 1 66 66 THR H H 66 7.765 7.765 8.056 -0.291 25461 1353 1 4 . 1 1 67 67 THR N N 67 116.809 116.809 116.503 0.306 25461 1354 1 4 . 1 1 67 67 THR HA H 67 3.846 3.846 3.899 -0.053 25461 1355 1 4 . 1 1 67 67 THR C C 67 176.323 176.323 176.398 -0.075 25461 1356 1 4 . 1 1 67 67 THR CA C 67 66.206 66.206 67.086 -0.880 25461 1357 1 4 . 1 1 67 67 THR CB C 67 68.417 68.417 68.520 -0.103 25461 1358 1 4 . 1 1 67 67 THR H H 67 8.901 8.901 8.569 0.332 25461 1359 1 4 . 1 1 68 68 GLN N N 68 120.255 120.255 119.583 0.672 25461 1360 1 4 . 1 1 68 68 GLN HA H 68 4.083 4.083 3.989 0.094 25461 1361 1 4 . 1 1 68 68 GLN C C 68 179.056 179.056 177.992 1.064 25461 1362 1 4 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.903 0.751 25461 1363 1 4 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.756 0.175 25461 1364 1 4 . 1 1 68 68 GLN H H 68 8.290 8.290 8.847 -0.557 25461 1365 1 4 . 1 1 69 69 MET N N 69 120.434 120.434 119.432 1.002 25461 1366 1 4 . 1 1 69 69 MET HA H 69 3.918 3.918 4.154 -0.236 25461 1367 1 4 . 1 1 69 69 MET C C 69 177.390 177.390 178.369 -0.979 25461 1368 1 4 . 1 1 69 69 MET CA C 69 59.757 59.757 58.779 0.978 25461 1369 1 4 . 1 1 69 69 MET CB C 69 35.178 35.178 32.629 2.549 25461 1370 1 4 . 1 1 69 69 MET H H 69 7.718 7.718 7.675 0.043 25461 1371 1 4 . 1 1 70 70 VAL N N 70 118.137 118.137 119.093 -0.956 25461 1372 1 4 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.581 -0.247 25461 1373 1 4 . 1 1 70 70 VAL C C 70 177.985 177.985 178.153 -0.168 25461 1374 1 4 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.490 -0.116 25461 1375 1 4 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.713 0.976 25461 1376 1 4 . 1 1 70 70 VAL H H 70 7.322 7.322 7.415 -0.093 25461 1377 1 4 . 1 1 71 71 GLU N N 71 118.717 118.717 119.133 -0.416 25461 1378 1 4 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.919 0.013 25461 1379 1 4 . 1 1 71 71 GLU C C 71 178.984 178.984 178.914 0.070 25461 1380 1 4 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.540 -0.212 25461 1381 1 4 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.767 0.815 25461 1382 1 4 . 1 1 71 71 GLU H H 71 8.446 8.446 8.509 -0.063 25461 1383 1 4 . 1 1 72 72 THR N N 72 116.413 116.413 117.666 -1.253 25461 1384 1 4 . 1 1 72 72 THR HA H 72 3.885 3.885 3.926 -0.041 25461 1385 1 4 . 1 1 72 72 THR C C 72 176.837 176.837 176.612 0.225 25461 1386 1 4 . 1 1 72 72 THR CA C 72 66.924 66.924 66.955 -0.031 25461 1387 1 4 . 1 1 72 72 THR CB C 72 68.594 68.594 68.437 0.157 25461 1388 1 4 . 1 1 72 72 THR H H 72 8.055 8.055 7.841 0.214 25461 1389 1 4 . 1 1 73 73 VAL N N 73 119.440 119.440 121.341 -1.901 25461 1390 1 4 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.422 -0.061 25461 1391 1 4 . 1 1 73 73 VAL C C 73 177.119 177.119 177.649 -0.530 25461 1392 1 4 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.796 -0.323 25461 1393 1 4 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.416 -0.503 25461 1394 1 4 . 1 1 73 73 VAL H H 73 7.521 7.521 7.771 -0.250 25461 1395 1 4 . 1 1 74 74 GLN N N 74 120.105 120.105 118.768 1.337 25461 1396 1 4 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.925 -0.284 25461 1397 1 4 . 1 1 74 74 GLN C C 74 177.761 177.761 178.196 -0.435 25461 1398 1 4 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.570 0.154 25461 1399 1 4 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.204 1.093 25461 1400 1 4 . 1 1 74 74 GLN H H 74 8.884 8.884 8.415 0.469 25461 1401 1 4 . 1 1 75 75 ASN N N 75 113.460 113.460 117.616 -4.156 25461 1402 1 4 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.444 -0.082 25461 1403 1 4 . 1 1 75 75 ASN C C 75 176.122 176.122 177.601 -1.479 25461 1404 1 4 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.826 -0.335 25461 1405 1 4 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.624 0.348 25461 1406 1 4 . 1 1 75 75 ASN H H 75 7.472 7.472 8.018 -0.546 25461 1407 1 4 . 1 1 76 76 LEU N N 76 118.225 118.225 117.601 0.624 25461 1408 1 4 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.341 -0.034 25461 1409 1 4 . 1 1 76 76 LEU C C 76 175.358 175.358 176.805 -1.447 25461 1410 1 4 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.149 -0.771 25461 1411 1 4 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.441 0.995 25461 1412 1 4 . 1 1 76 76 LEU H H 76 7.130 7.130 7.622 -0.492 25461 1413 1 4 . 1 1 77 77 ALA N N 77 122.753 122.753 119.121 3.632 25461 1414 1 4 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.348 0.098 25461 1415 1 4 . 1 1 77 77 ALA C C 77 173.976 173.976 175.044 -1.068 25461 1416 1 4 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.097 0.325 25461 1417 1 4 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.307 -0.924 25461 1418 1 4 . 1 1 77 77 ALA H H 77 7.784 7.784 7.729 0.055 25461 1419 1 4 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.371 0.015 25461 1420 1 4 . 1 1 78 78 PRO C C 78 177.311 177.311 176.773 0.538 25461 1421 1 4 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.649 0.949 25461 1422 1 4 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.899 0.242 25461 1423 1 4 . 1 1 79 79 ASN N N 79 111.571 111.571 116.317 -4.746 25461 1424 1 4 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.680 0.074 25461 1425 1 4 . 1 1 79 79 ASN C C 79 175.765 175.765 174.915 0.850 25461 1426 1 4 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.104 0.058 25461 1427 1 4 . 1 1 79 79 ASN CB C 79 37.882 37.882 38.941 -1.059 25461 1428 1 4 . 1 1 79 79 ASN H H 79 7.868 7.868 8.374 -0.506 25461 1429 1 4 . 1 1 80 80 LEU N N 80 119.219 119.219 118.992 0.227 25461 1430 1 4 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.479 -0.111 25461 1431 1 4 . 1 1 80 80 LEU C C 80 175.715 175.715 175.053 0.662 25461 1432 1 4 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.205 0.644 25461 1433 1 4 . 1 1 80 80 LEU CB C 80 43.172 43.172 45.246 -2.074 25461 1434 1 4 . 1 1 80 80 LEU H H 80 7.176 7.176 7.160 0.016 25461 1435 1 4 . 1 1 81 81 HIS N N 81 123.894 123.894 122.094 1.800 25461 1436 1 4 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.760 -0.018 25461 1437 1 4 . 1 1 81 81 HIS C C 81 176.185 176.185 174.520 1.665 25461 1438 1 4 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.821 -0.329 25461 1439 1 4 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.740 0.436 25461 1440 1 4 . 1 1 81 81 HIS H H 81 9.023 9.023 8.589 0.434 25461 1441 1 4 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.255 -0.242 25461 1442 1 4 . 1 1 82 82 PRO C C 82 178.774 178.774 178.174 0.600 25461 1443 1 4 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.088 1.308 25461 1444 1 4 . 1 1 82 82 PRO CB C 82 32.035 32.035 31.954 0.080 25461 1445 1 4 . 1 1 83 83 GLU N N 83 120.128 120.128 119.212 0.916 25461 1446 1 4 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.303 0.107 25461 1447 1 4 . 1 1 83 83 GLU C C 83 181.651 181.651 178.610 3.041 25461 1448 1 4 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.585 0.644 25461 1449 1 4 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.632 -0.336 25461 1450 1 4 . 1 1 83 83 GLU H H 83 11.938 11.938 8.383 3.555 25461 1451 1 4 . 1 1 84 84 GLN N N 84 117.052 117.052 119.892 -2.840 25461 1452 1 4 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.873 0.108 25461 1453 1 4 . 1 1 84 84 GLN C C 84 179.958 179.958 178.687 1.271 25461 1454 1 4 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.727 0.223 25461 1455 1 4 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.506 2.164 25461 1456 1 4 . 1 1 84 84 GLN H H 84 7.467 7.467 7.585 -0.118 25461 1457 1 4 . 1 1 85 85 ILE N N 85 120.448 120.448 119.481 0.967 25461 1458 1 4 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.765 -0.432 25461 1459 1 4 . 1 1 85 85 ILE C C 85 176.960 176.960 177.803 -0.843 25461 1460 1 4 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.438 1.091 25461 1461 1 4 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.582 0.230 25461 1462 1 4 . 1 1 85 85 ILE H H 85 7.750 7.750 7.663 0.087 25461 1463 1 4 . 1 1 86 86 ARG N N 86 119.593 119.593 119.298 0.295 25461 1464 1 4 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.900 -0.177 25461 1465 1 4 . 1 1 86 86 ARG C C 86 177.115 177.115 178.378 -1.263 25461 1466 1 4 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.744 1.075 25461 1467 1 4 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.677 0.549 25461 1468 1 4 . 1 1 86 86 ARG H H 86 8.868 8.868 8.027 0.841 25461 1469 1 4 . 1 1 87 87 TYR N N 87 116.869 116.869 119.767 -2.898 25461 1470 1 4 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.567 -0.067 25461 1471 1 4 . 1 1 87 87 TYR C C 87 177.597 177.597 178.286 -0.689 25461 1472 1 4 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.492 -0.369 25461 1473 1 4 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.081 0.354 25461 1474 1 4 . 1 1 87 87 TYR H H 87 7.684 7.684 7.766 -0.082 25461 1475 1 4 . 1 1 88 88 SER N N 88 110.655 110.655 116.444 -5.789 25461 1476 1 4 . 1 1 88 88 SER HA H 88 4.155 4.155 3.947 0.208 25461 1477 1 4 . 1 1 88 88 SER C C 88 177.666 177.666 176.535 1.131 25461 1478 1 4 . 1 1 88 88 SER CA C 88 61.207 61.207 62.185 -0.978 25461 1479 1 4 . 1 1 88 88 SER CB C 88 62.880 62.880 62.735 0.145 25461 1480 1 4 . 1 1 88 88 SER H H 88 7.510 7.510 8.255 -0.745 25461 1481 1 4 . 1 1 89 89 LEU N N 89 119.356 119.356 122.194 -2.838 25461 1482 1 4 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.154 0.039 25461 1483 1 4 . 1 1 89 89 LEU C C 89 180.057 180.057 179.952 0.105 25461 1484 1 4 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.818 -0.441 25461 1485 1 4 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.683 1.662 25461 1486 1 4 . 1 1 89 89 LEU H H 89 8.522 8.522 8.754 -0.232 25461 1487 1 4 . 1 1 90 90 GLU N N 90 120.190 120.190 119.337 0.853 25461 1488 1 4 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.223 -0.107 25461 1489 1 4 . 1 1 90 90 GLU C C 90 177.812 177.812 179.179 -1.367 25461 1490 1 4 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.203 -0.161 25461 1491 1 4 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.438 0.554 25461 1492 1 4 . 1 1 90 90 GLU H H 90 8.511 8.511 7.986 0.525 25461 1493 1 4 . 1 1 91 91 ASN N N 91 115.736 115.736 117.056 -1.320 25461 1494 1 4 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.477 0.209 25461 1495 1 4 . 1 1 91 91 ASN C C 91 177.109 177.109 177.274 -0.165 25461 1496 1 4 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.790 -0.100 25461 1497 1 4 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.685 1.801 25461 1498 1 4 . 1 1 91 91 ASN H H 91 7.465 7.465 7.820 -0.355 25461 1499 1 4 . 1 1 92 92 THR N N 92 110.330 110.330 110.250 0.080 25461 1500 1 4 . 1 1 92 92 THR HA H 92 4.142 4.142 4.227 -0.085 25461 1501 1 4 . 1 1 92 92 THR C C 92 176.599 176.599 176.308 0.291 25461 1502 1 4 . 1 1 92 92 THR CA C 92 62.581 62.581 64.365 -1.784 25461 1503 1 4 . 1 1 92 92 THR CB C 92 70.198 70.198 69.980 0.218 25461 1504 1 4 . 1 1 92 92 THR H H 92 9.251 9.251 8.278 0.973 25461 1505 1 4 . 1 1 93 93 GLY N N 93 112.211 112.211 111.651 0.560 25461 1506 1 4 . 1 1 93 93 GLY C C 93 174.132 174.132 173.800 0.332 25461 1507 1 4 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.314 0.357 25461 1508 1 4 . 1 1 93 93 GLY H H 93 8.682 8.682 8.241 0.441 25461 1509 1 4 . 1 1 94 94 SER N N 94 111.808 111.808 115.446 -3.638 25461 1510 1 4 . 1 1 94 94 SER HA H 94 4.784 4.784 4.722 0.062 25461 1511 1 4 . 1 1 94 94 SER C C 94 173.862 173.862 174.540 -0.678 25461 1512 1 4 . 1 1 94 94 SER CA C 94 56.221 56.221 57.379 -1.157 25461 1513 1 4 . 1 1 94 94 SER CB C 94 64.454 64.454 66.278 -1.824 25461 1514 1 4 . 1 1 94 94 SER H H 94 8.058 8.058 7.340 0.718 25461 1515 1 4 . 1 1 95 95 VAL N N 95 129.818 129.818 126.221 3.597 25461 1516 1 4 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.626 -0.269 25461 1517 1 4 . 1 1 95 95 VAL C C 95 176.909 176.909 177.469 -0.560 25461 1518 1 4 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.158 -0.352 25461 1519 1 4 . 1 1 95 95 VAL CB C 95 32.319 32.319 32.059 0.260 25461 1520 1 4 . 1 1 95 95 VAL H H 95 8.983 8.983 8.850 0.133 25461 1521 1 4 . 1 1 96 96 GLU N N 96 117.745 117.745 119.298 -1.553 25461 1522 1 4 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.988 -0.164 25461 1523 1 4 . 1 1 96 96 GLU C C 96 179.126 179.126 178.547 0.579 25461 1524 1 4 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.787 1.038 25461 1525 1 4 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.663 0.346 25461 1526 1 4 . 1 1 96 96 GLU H H 96 8.673 8.673 8.620 0.053 25461 1527 1 4 . 1 1 97 97 GLU N N 97 120.049 120.049 119.932 0.117 25461 1528 1 4 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.111 0.035 25461 1529 1 4 . 1 1 97 97 GLU C C 97 178.947 178.947 178.844 0.103 25461 1530 1 4 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.214 -0.273 25461 1531 1 4 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.819 0.925 25461 1532 1 4 . 1 1 97 97 GLU H H 97 8.125 8.125 8.595 -0.470 25461 1533 1 4 . 1 1 98 98 THR N N 98 118.623 118.623 117.007 1.616 25461 1534 1 4 . 1 1 98 98 THR HA H 98 3.805 3.805 3.978 -0.173 25461 1535 1 4 . 1 1 98 98 THR C C 98 175.676 175.676 176.780 -1.104 25461 1536 1 4 . 1 1 98 98 THR CA C 98 70.162 70.162 67.287 2.875 25461 1537 1 4 . 1 1 98 98 THR CB C 98 69.317 69.317 68.842 0.475 25461 1538 1 4 . 1 1 98 98 THR H H 98 8.038 8.038 7.630 0.407 25461 1539 1 4 . 1 1 99 99 VAL N N 99 120.683 120.683 121.595 -0.912 25461 1540 1 4 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.754 -0.213 25461 1541 1 4 . 1 1 99 99 VAL C C 99 177.456 177.456 177.499 -0.043 25461 1542 1 4 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.894 1.030 25461 1543 1 4 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.567 -0.001 25461 1544 1 4 . 1 1 99 99 VAL H H 99 8.724 8.724 8.294 0.430 25461 1545 1 4 . 1 1 100 100 GLU N N 100 120.914 120.914 119.584 1.330 25461 1546 1 4 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.096 -0.082 25461 1547 1 4 . 1 1 100 100 GLU C C 100 179.857 179.857 178.954 0.903 25461 1548 1 4 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.814 0.406 25461 1549 1 4 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.543 -0.335 25461 1550 1 4 . 1 1 100 100 GLU H H 100 8.324 8.324 8.498 -0.174 25461 1551 1 4 . 1 1 101 101 ARG N N 101 118.451 118.451 117.220 1.231 25461 1552 1 4 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.259 -0.386 25461 1553 1 4 . 1 1 101 101 ARG C C 101 178.078 178.078 178.124 -0.046 25461 1554 1 4 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.814 1.164 25461 1555 1 4 . 1 1 101 101 ARG CB C 101 29.946 29.946 30.112 -0.166 25461 1556 1 4 . 1 1 101 101 ARG H H 101 8.197 8.197 8.294 -0.097 25461 1557 1 4 . 1 1 102 102 TYR N N 102 119.888 119.888 123.979 -4.091 25461 1558 1 4 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.339 0.136 25461 1559 1 4 . 1 1 102 102 TYR C C 102 180.056 180.056 177.953 2.103 25461 1560 1 4 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.313 0.213 25461 1561 1 4 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.437 -0.921 25461 1562 1 4 . 1 1 102 102 TYR H H 102 8.180 8.180 8.191 -0.011 25461 1563 1 4 . 1 1 103 103 LEU N N 103 122.091 122.091 117.923 4.168 25461 1564 1 4 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.710 0.121 25461 1565 1 4 . 1 1 103 103 LEU C C 103 178.973 178.973 177.887 1.086 25461 1566 1 4 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.315 0.110 25461 1567 1 4 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.270 0.352 25461 1568 1 4 . 1 1 103 103 LEU H H 103 9.050 9.050 8.263 0.787 25461 1569 1 4 . 1 1 104 104 ARG N N 104 116.388 116.388 119.993 -3.605 25461 1570 1 4 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.244 0.132 25461 1571 1 4 . 1 1 104 104 ARG C C 104 176.877 176.877 177.496 -0.619 25461 1572 1 4 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.307 0.265 25461 1573 1 4 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.940 -0.462 25461 1574 1 4 . 1 1 104 104 ARG H H 104 7.888 7.888 7.593 0.295 25461 1575 1 4 . 1 1 105 105 GLY N N 105 107.432 107.432 109.957 -2.525 25461 1576 1 4 . 1 1 105 105 GLY C C 105 174.796 174.796 174.799 -0.003 25461 1577 1 4 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.248 0.084 25461 1578 1 4 . 1 1 105 105 GLY H H 105 7.688 7.688 7.974 -0.286 25461 1579 1 4 . 1 1 106 106 ASP N N 106 121.505 121.505 121.004 0.501 25461 1580 1 4 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.571 -0.190 25461 1581 1 4 . 1 1 106 106 ASP C C 106 175.595 175.595 176.668 -1.073 25461 1582 1 4 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.353 0.683 25461 1583 1 4 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.047 -1.476 25461 1584 1 4 . 1 1 106 106 ASP H H 106 7.878 7.878 7.947 -0.069 25461 1585 1 4 . 1 1 107 107 GLU N N 107 119.581 119.581 118.485 1.096 25461 1586 1 4 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.389 -0.007 25461 1587 1 4 . 1 1 107 107 GLU C C 107 177.123 177.123 175.676 1.447 25461 1588 1 4 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.820 -0.345 25461 1589 1 4 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.230 0.291 25461 1590 1 4 . 1 1 107 107 GLU H H 107 8.394 8.394 8.489 -0.095 25461 1591 1 4 . 1 1 108 108 PHE N N 108 126.975 126.975 121.292 5.683 25461 1592 1 4 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.802 -0.180 25461 1593 1 4 . 1 1 108 108 PHE C C 108 176.186 176.186 175.339 0.847 25461 1594 1 4 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.364 -0.134 25461 1595 1 4 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.586 -0.342 25461 1596 1 4 . 1 1 108 108 PHE H H 108 9.373 9.373 8.691 0.682 25461 1597 1 4 . 1 1 109 109 SER N N 109 121.198 121.198 119.253 1.945 25461 1598 1 4 . 1 1 109 109 SER HA H 109 4.582 4.582 4.646 -0.064 25461 1599 1 4 . 1 1 109 109 SER C C 109 175.060 175.060 172.866 2.194 25461 1600 1 4 . 1 1 109 109 SER CA C 109 58.928 58.928 57.393 1.535 25461 1601 1 4 . 1 1 109 109 SER CB C 109 64.213 64.213 65.426 -1.213 25461 1602 1 4 . 1 1 109 109 SER H H 109 8.694 8.694 8.406 0.288 25461 1603 1 4 . 1 1 110 110 PHE N N 110 121.734 121.734 119.369 2.365 25461 1604 1 4 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.601 -0.414 25461 1605 1 4 . 1 1 110 110 PHE C C 110 172.930 172.930 173.607 -0.677 25461 1606 1 4 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.956 1.793 25461 1607 1 4 . 1 1 110 110 PHE CB C 110 38.497 38.497 40.011 -1.514 25461 1608 1 4 . 1 1 110 110 PHE H H 110 8.965 8.965 8.502 0.463 25461 1609 1 4 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.505 -0.156 25461 1610 1 4 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.095 -0.023 25461 1611 1 4 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.327 -0.009 25461 1612 1 4 . 1 1 112 112 PRO C C 112 177.703 177.703 177.796 -0.093 25461 1613 1 4 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.558 0.031 25461 1614 1 4 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.427 0.331 25461 1615 1 4 . 1 1 113 113 GLY N N 113 110.960 110.960 111.932 -0.972 25461 1616 1 4 . 1 1 113 113 GLY C C 113 174.074 174.074 174.809 -0.735 25461 1617 1 4 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.466 -0.306 25461 1618 1 4 . 1 1 113 113 GLY H H 113 8.682 8.682 8.623 0.059 25461 1619 1 4 . 1 1 114 114 PHE N N 114 120.992 120.992 120.482 0.510 25461 1620 1 4 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.538 -0.228 25461 1621 1 4 . 1 1 114 114 PHE C C 114 174.567 174.567 175.129 -0.562 25461 1622 1 4 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.223 0.101 25461 1623 1 4 . 1 1 114 114 PHE CB C 114 40.149 40.149 40.040 0.109 25461 1624 1 4 . 1 1 114 114 PHE H H 114 7.771 7.771 7.873 -0.102 25461 1625 1 5 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.335 -0.978 25461 1626 1 5 . 1 1 42 42 ALA C C 42 177.825 177.825 177.108 0.717 25461 1627 1 5 . 1 1 42 42 ALA CA C 42 52.674 52.674 51.905 0.769 25461 1628 1 5 . 1 1 42 42 ALA CB C 42 19.452 19.452 20.854 -1.402 25461 1629 1 5 . 1 1 43 43 MET N N 43 119.667 119.667 117.224 2.443 25461 1630 1 5 . 1 1 43 43 MET HA H 43 4.549 4.549 5.391 -0.842 25461 1631 1 5 . 1 1 43 43 MET C C 43 176.478 176.478 175.827 0.651 25461 1632 1 5 . 1 1 43 43 MET CA C 43 55.344 55.344 54.742 0.602 25461 1633 1 5 . 1 1 43 43 MET CB C 43 33.129 33.129 35.183 -2.054 25461 1634 1 5 . 1 1 43 43 MET H H 43 8.507 8.507 9.437 -0.930 25461 1635 1 5 . 1 1 44 44 GLY N N 44 110.244 110.244 107.896 2.348 25461 1636 1 5 . 1 1 44 44 GLY C C 44 172.009 172.009 171.650 0.359 25461 1637 1 5 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.844 -0.202 25461 1638 1 5 . 1 1 44 44 GLY H H 44 8.251 8.251 8.548 -0.297 25461 1639 1 5 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.389 0.044 25461 1640 1 5 . 1 1 45 45 PRO C C 45 177.510 177.510 176.528 0.982 25461 1641 1 5 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.857 0.548 25461 1642 1 5 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.210 -0.104 25461 1643 1 5 . 1 1 46 46 GLN N N 46 120.607 120.607 122.924 -2.317 25461 1644 1 5 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.246 0.100 25461 1645 1 5 . 1 1 46 46 GLN C C 46 176.687 176.687 175.972 0.715 25461 1646 1 5 . 1 1 46 46 GLN CA C 46 56.056 56.056 56.212 -0.156 25461 1647 1 5 . 1 1 46 46 GLN CB C 46 29.423 29.423 27.999 1.424 25461 1648 1 5 . 1 1 46 46 GLN H H 46 8.628 8.628 8.641 -0.013 25461 1649 1 5 . 1 1 47 47 GLY N N 47 110.011 110.011 112.414 -2.403 25461 1650 1 5 . 1 1 47 47 GLY C C 47 174.308 174.308 173.739 0.569 25461 1651 1 5 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.194 0.240 25461 1652 1 5 . 1 1 47 47 GLY H H 47 8.411 8.411 8.162 0.249 25461 1653 1 5 . 1 1 48 48 SER N N 48 115.646 115.646 118.484 -2.838 25461 1654 1 5 . 1 1 48 48 SER HA H 48 4.542 4.542 4.548 -0.006 25461 1655 1 5 . 1 1 48 48 SER C C 48 175.288 175.288 175.131 0.157 25461 1656 1 5 . 1 1 48 48 SER CA C 48 58.437 58.437 58.139 0.298 25461 1657 1 5 . 1 1 48 48 SER CB C 48 63.965 63.965 62.614 1.351 25461 1658 1 5 . 1 1 48 48 SER H H 48 8.284 8.284 8.387 -0.103 25461 1659 1 5 . 1 1 49 49 THR N N 49 115.928 115.928 117.725 -1.797 25461 1660 1 5 . 1 1 49 49 THR HA H 49 4.343 4.343 4.180 0.163 25461 1661 1 5 . 1 1 49 49 THR C C 49 174.948 174.948 176.330 -1.382 25461 1662 1 5 . 1 1 49 49 THR CA C 49 62.294 62.294 63.944 -1.650 25461 1663 1 5 . 1 1 49 49 THR CB C 49 69.614 69.614 69.109 0.505 25461 1664 1 5 . 1 1 49 49 THR H H 49 8.282 8.282 8.162 0.120 25461 1665 1 5 . 1 1 50 50 GLN N N 50 122.155 122.155 118.490 3.665 25461 1666 1 5 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.183 0.204 25461 1667 1 5 . 1 1 50 50 GLN C C 50 176.071 176.071 175.563 0.508 25461 1668 1 5 . 1 1 50 50 GLN CA C 50 56.390 56.390 56.697 -0.307 25461 1669 1 5 . 1 1 50 50 GLN CB C 50 29.226 29.226 27.141 2.085 25461 1670 1 5 . 1 1 50 50 GLN H H 50 8.401 8.401 8.529 -0.128 25461 1671 1 5 . 1 1 51 51 ASN N N 51 119.604 119.604 119.332 0.272 25461 1672 1 5 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.566 0.072 25461 1673 1 5 . 1 1 51 51 ASN C C 51 175.275 175.275 176.216 -0.941 25461 1674 1 5 . 1 1 51 51 ASN CA C 51 53.650 53.650 55.047 -1.397 25461 1675 1 5 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.063 -0.206 25461 1676 1 5 . 1 1 51 51 ASN H H 51 8.395 8.395 7.928 0.467 25461 1677 1 5 . 1 1 52 52 ALA N N 52 124.054 124.054 123.588 0.466 25461 1678 1 5 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.354 -0.092 25461 1679 1 5 . 1 1 52 52 ALA C C 52 177.915 177.915 177.024 0.891 25461 1680 1 5 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.999 1.092 25461 1681 1 5 . 1 1 52 52 ALA CB C 52 19.174 19.174 17.335 1.839 25461 1682 1 5 . 1 1 52 52 ALA H H 52 8.227 8.227 7.990 0.237 25461 1683 1 5 . 1 1 53 53 LEU N N 53 120.325 120.325 121.471 -1.146 25461 1684 1 5 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.571 -0.279 25461 1685 1 5 . 1 1 53 53 LEU C C 53 177.531 177.531 177.003 0.528 25461 1686 1 5 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.308 1.135 25461 1687 1 5 . 1 1 53 53 LEU CB C 53 42.207 42.207 43.157 -0.950 25461 1688 1 5 . 1 1 53 53 LEU H H 53 8.097 8.097 7.808 0.289 25461 1689 1 5 . 1 1 54 54 ARG N N 54 121.409 121.409 119.766 1.643 25461 1690 1 5 . 1 1 54 54 ARG HA H 54 4.333 4.333 3.984 0.349 25461 1691 1 5 . 1 1 54 54 ARG C C 54 176.332 176.332 176.545 -0.213 25461 1692 1 5 . 1 1 54 54 ARG CA C 54 56.187 56.187 57.200 -1.013 25461 1693 1 5 . 1 1 54 54 ARG CB C 54 30.736 30.736 29.065 1.671 25461 1694 1 5 . 1 1 54 54 ARG H H 54 8.155 8.155 8.552 -0.397 25461 1695 1 5 . 1 1 55 55 ARG N N 55 122.380 122.380 118.700 3.680 25461 1696 1 5 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.245 0.173 25461 1697 1 5 . 1 1 55 55 ARG C C 55 176.563 176.563 176.341 0.222 25461 1698 1 5 . 1 1 55 55 ARG CA C 55 56.289 56.289 57.182 -0.893 25461 1699 1 5 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.023 0.816 25461 1700 1 5 . 1 1 55 55 ARG H H 55 8.389 8.389 8.111 0.278 25461 1701 1 5 . 1 1 56 56 THR N N 56 114.693 114.693 113.178 1.515 25461 1702 1 5 . 1 1 56 56 THR HA H 56 4.372 4.372 4.221 0.151 25461 1703 1 5 . 1 1 56 56 THR C C 56 175.062 175.062 174.570 0.492 25461 1704 1 5 . 1 1 56 56 THR CA C 56 61.926 61.926 62.818 -0.892 25461 1705 1 5 . 1 1 56 56 THR CB C 56 70.016 70.016 69.836 0.180 25461 1706 1 5 . 1 1 56 56 THR H H 56 8.204 8.204 7.842 0.362 25461 1707 1 5 . 1 1 57 57 GLY N N 57 111.042 111.042 109.674 1.368 25461 1708 1 5 . 1 1 57 57 GLY C C 57 173.868 173.868 173.262 0.606 25461 1709 1 5 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.326 0.965 25461 1710 1 5 . 1 1 57 57 GLY H H 57 8.424 8.424 7.917 0.507 25461 1711 1 5 . 1 1 58 58 ARG N N 58 120.824 120.824 120.027 0.797 25461 1712 1 5 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.278 0.108 25461 1713 1 5 . 1 1 58 58 ARG C C 58 176.522 176.522 175.717 0.805 25461 1714 1 5 . 1 1 58 58 ARG CA C 58 56.111 56.111 56.378 -0.267 25461 1715 1 5 . 1 1 58 58 ARG CB C 58 31.074 31.074 29.385 1.689 25461 1716 1 5 . 1 1 58 58 ARG H H 58 8.232 8.232 8.353 -0.121 25461 1717 1 5 . 1 1 59 59 VAL N N 59 121.437 121.437 122.506 -1.069 25461 1718 1 5 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.294 -0.174 25461 1719 1 5 . 1 1 59 59 VAL C C 59 176.022 176.022 174.698 1.324 25461 1720 1 5 . 1 1 59 59 VAL CA C 59 62.413 62.413 61.493 0.920 25461 1721 1 5 . 1 1 59 59 VAL CB C 59 32.815 32.815 35.332 -2.517 25461 1722 1 5 . 1 1 59 59 VAL H H 59 8.307 8.307 7.835 0.472 25461 1723 1 5 . 1 1 60 60 ASN N N 60 122.487 122.487 122.131 0.356 25461 1724 1 5 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.453 0.284 25461 1725 1 5 . 1 1 60 60 ASN C C 60 175.521 175.521 174.764 0.757 25461 1726 1 5 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.445 -0.070 25461 1727 1 5 . 1 1 60 60 ASN CB C 60 39.098 39.098 37.470 1.628 25461 1728 1 5 . 1 1 60 60 ASN H H 60 8.593 8.593 8.614 -0.021 25461 1729 1 5 . 1 1 61 61 GLY N N 61 109.681 109.681 107.698 1.983 25461 1730 1 5 . 1 1 61 61 GLY C C 61 174.361 174.361 173.960 0.401 25461 1731 1 5 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.307 1.192 25461 1732 1 5 . 1 1 61 61 GLY H H 61 8.407 8.407 8.214 0.193 25461 1733 1 5 . 1 1 62 62 GLY N N 62 108.197 108.197 107.842 0.355 25461 1734 1 5 . 1 1 62 62 GLY C C 62 173.866 173.866 173.862 0.004 25461 1735 1 5 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.563 0.549 25461 1736 1 5 . 1 1 62 62 GLY H H 62 8.209 8.209 7.921 0.288 25461 1737 1 5 . 1 1 63 63 HIS N N 63 121.370 121.370 120.549 0.821 25461 1738 1 5 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.692 0.107 25461 1739 1 5 . 1 1 63 63 HIS C C 63 173.562 173.562 173.899 -0.337 25461 1740 1 5 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.532 0.313 25461 1741 1 5 . 1 1 63 63 HIS CB C 63 30.172 30.172 30.050 0.122 25461 1742 1 5 . 1 1 63 63 HIS H H 63 8.587 8.587 8.089 0.498 25461 1743 1 5 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.434 0.027 25461 1744 1 5 . 1 1 64 64 PRO C C 64 176.406 176.406 176.278 0.128 25461 1745 1 5 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.948 0.140 25461 1746 1 5 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.906 0.097 25461 1747 1 5 . 1 1 65 65 VAL N N 65 122.214 122.214 120.900 1.314 25461 1748 1 5 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.764 -0.410 25461 1749 1 5 . 1 1 65 65 VAL C C 65 176.217 176.217 175.822 0.395 25461 1750 1 5 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.490 2.743 25461 1751 1 5 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.531 -0.177 25461 1752 1 5 . 1 1 65 65 VAL H H 65 8.436 8.436 8.506 -0.070 25461 1753 1 5 . 1 1 66 66 THR N N 66 118.215 118.215 112.744 5.471 25461 1754 1 5 . 1 1 66 66 THR HA H 66 4.844 4.844 4.718 0.126 25461 1755 1 5 . 1 1 66 66 THR C C 66 175.632 175.632 175.125 0.507 25461 1756 1 5 . 1 1 66 66 THR CA C 66 59.250 59.250 60.338 -1.088 25461 1757 1 5 . 1 1 66 66 THR CB C 66 71.632 71.632 71.430 0.202 25461 1758 1 5 . 1 1 66 66 THR H H 66 7.765 7.765 8.201 -0.436 25461 1759 1 5 . 1 1 67 67 THR N N 67 116.809 116.809 117.431 -0.622 25461 1760 1 5 . 1 1 67 67 THR HA H 67 3.846 3.846 3.886 -0.040 25461 1761 1 5 . 1 1 67 67 THR C C 67 176.323 176.323 176.280 0.043 25461 1762 1 5 . 1 1 67 67 THR CA C 67 66.206 66.206 66.193 0.013 25461 1763 1 5 . 1 1 67 67 THR CB C 67 68.417 68.417 68.687 -0.270 25461 1764 1 5 . 1 1 67 67 THR H H 67 8.901 8.901 8.502 0.399 25461 1765 1 5 . 1 1 68 68 GLN N N 68 120.255 120.255 119.977 0.278 25461 1766 1 5 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.065 0.018 25461 1767 1 5 . 1 1 68 68 GLN C C 68 179.056 179.056 178.156 0.900 25461 1768 1 5 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.538 1.115 25461 1769 1 5 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.859 0.072 25461 1770 1 5 . 1 1 68 68 GLN H H 68 8.290 8.290 8.819 -0.529 25461 1771 1 5 . 1 1 69 69 MET N N 69 120.434 120.434 119.109 1.325 25461 1772 1 5 . 1 1 69 69 MET HA H 69 3.918 3.918 4.176 -0.258 25461 1773 1 5 . 1 1 69 69 MET C C 69 177.390 177.390 178.266 -0.876 25461 1774 1 5 . 1 1 69 69 MET CA C 69 59.757 59.757 59.052 0.705 25461 1775 1 5 . 1 1 69 69 MET CB C 69 35.178 35.178 32.476 2.702 25461 1776 1 5 . 1 1 69 69 MET H H 69 7.718 7.718 7.859 -0.141 25461 1777 1 5 . 1 1 70 70 VAL N N 70 118.137 118.137 119.353 -1.216 25461 1778 1 5 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.482 -0.148 25461 1779 1 5 . 1 1 70 70 VAL C C 70 177.985 177.985 177.976 0.009 25461 1780 1 5 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.784 -0.410 25461 1781 1 5 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.219 0.470 25461 1782 1 5 . 1 1 70 70 VAL H H 70 7.322 7.322 7.367 -0.045 25461 1783 1 5 . 1 1 71 71 GLU N N 71 118.717 118.717 118.435 0.282 25461 1784 1 5 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.935 -0.003 25461 1785 1 5 . 1 1 71 71 GLU C C 71 178.984 178.984 178.985 -0.001 25461 1786 1 5 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.473 -0.145 25461 1787 1 5 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.866 0.716 25461 1788 1 5 . 1 1 71 71 GLU H H 71 8.446 8.446 8.141 0.305 25461 1789 1 5 . 1 1 72 72 THR N N 72 116.413 116.413 117.824 -1.411 25461 1790 1 5 . 1 1 72 72 THR HA H 72 3.885 3.885 3.891 -0.006 25461 1791 1 5 . 1 1 72 72 THR C C 72 176.837 176.837 176.769 0.068 25461 1792 1 5 . 1 1 72 72 THR CA C 72 66.924 66.924 66.574 0.350 25461 1793 1 5 . 1 1 72 72 THR CB C 72 68.594 68.594 68.752 -0.158 25461 1794 1 5 . 1 1 72 72 THR H H 72 8.055 8.055 7.777 0.278 25461 1795 1 5 . 1 1 73 73 VAL N N 73 119.440 119.440 120.739 -1.299 25461 1796 1 5 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.552 -0.191 25461 1797 1 5 . 1 1 73 73 VAL C C 73 177.119 177.119 177.860 -0.741 25461 1798 1 5 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.588 -0.115 25461 1799 1 5 . 1 1 73 73 VAL CB C 73 30.913 30.913 30.742 0.171 25461 1800 1 5 . 1 1 73 73 VAL H H 73 7.521 7.521 7.774 -0.253 25461 1801 1 5 . 1 1 74 74 GLN N N 74 120.105 120.105 119.412 0.693 25461 1802 1 5 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.830 -0.189 25461 1803 1 5 . 1 1 74 74 GLN C C 74 177.761 177.761 178.242 -0.481 25461 1804 1 5 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.513 0.211 25461 1805 1 5 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.291 1.006 25461 1806 1 5 . 1 1 74 74 GLN H H 74 8.884 8.884 8.420 0.464 25461 1807 1 5 . 1 1 75 75 ASN N N 75 113.460 113.460 117.759 -4.299 25461 1808 1 5 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.409 -0.047 25461 1809 1 5 . 1 1 75 75 ASN C C 75 176.122 176.122 177.643 -1.521 25461 1810 1 5 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.871 -0.380 25461 1811 1 5 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.568 0.404 25461 1812 1 5 . 1 1 75 75 ASN H H 75 7.472 7.472 8.213 -0.741 25461 1813 1 5 . 1 1 76 76 LEU N N 76 118.225 118.225 118.865 -0.640 25461 1814 1 5 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.248 0.059 25461 1815 1 5 . 1 1 76 76 LEU C C 76 175.358 175.358 177.110 -1.752 25461 1816 1 5 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.793 -1.415 25461 1817 1 5 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.484 0.952 25461 1818 1 5 . 1 1 76 76 LEU H H 76 7.130 7.130 7.726 -0.596 25461 1819 1 5 . 1 1 77 77 ALA N N 77 122.753 122.753 118.726 4.027 25461 1820 1 5 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.483 -0.037 25461 1821 1 5 . 1 1 77 77 ALA C C 77 173.976 173.976 175.304 -1.328 25461 1822 1 5 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.547 0.875 25461 1823 1 5 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.242 -0.859 25461 1824 1 5 . 1 1 77 77 ALA H H 77 7.784 7.784 7.857 -0.073 25461 1825 1 5 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.347 0.039 25461 1826 1 5 . 1 1 78 78 PRO C C 78 177.311 177.311 176.466 0.845 25461 1827 1 5 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.552 1.046 25461 1828 1 5 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.678 0.463 25461 1829 1 5 . 1 1 79 79 ASN N N 79 111.571 111.571 116.596 -5.025 25461 1830 1 5 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.638 0.116 25461 1831 1 5 . 1 1 79 79 ASN C C 79 175.765 175.765 175.420 0.345 25461 1832 1 5 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.255 -0.093 25461 1833 1 5 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.368 -1.486 25461 1834 1 5 . 1 1 79 79 ASN H H 79 7.868 7.868 8.182 -0.314 25461 1835 1 5 . 1 1 80 80 LEU N N 80 119.219 119.219 120.378 -1.159 25461 1836 1 5 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.208 0.160 25461 1837 1 5 . 1 1 80 80 LEU C C 80 175.715 175.715 175.543 0.172 25461 1838 1 5 . 1 1 80 80 LEU CA C 80 53.849 53.849 54.102 -0.253 25461 1839 1 5 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.276 -0.104 25461 1840 1 5 . 1 1 80 80 LEU H H 80 7.176 7.176 7.293 -0.117 25461 1841 1 5 . 1 1 81 81 HIS N N 81 123.894 123.894 121.408 2.486 25461 1842 1 5 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.738 0.004 25461 1843 1 5 . 1 1 81 81 HIS C C 81 176.185 176.185 174.649 1.536 25461 1844 1 5 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.994 0.498 25461 1845 1 5 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.651 0.525 25461 1846 1 5 . 1 1 81 81 HIS H H 81 9.023 9.023 8.009 1.014 25461 1847 1 5 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.115 -0.102 25461 1848 1 5 . 1 1 82 82 PRO C C 82 178.774 178.774 178.261 0.513 25461 1849 1 5 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.391 1.004 25461 1850 1 5 . 1 1 82 82 PRO CB C 82 32.035 32.035 31.998 0.037 25461 1851 1 5 . 1 1 83 83 GLU N N 83 120.128 120.128 118.799 1.329 25461 1852 1 5 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.106 0.304 25461 1853 1 5 . 1 1 83 83 GLU C C 83 181.651 181.651 178.694 2.957 25461 1854 1 5 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.225 0.004 25461 1855 1 5 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.455 -0.159 25461 1856 1 5 . 1 1 83 83 GLU H H 83 11.938 11.938 7.920 4.018 25461 1857 1 5 . 1 1 84 84 GLN N N 84 117.052 117.052 118.969 -1.917 25461 1858 1 5 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.879 0.102 25461 1859 1 5 . 1 1 84 84 GLN C C 84 179.958 179.958 178.586 1.372 25461 1860 1 5 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.504 0.446 25461 1861 1 5 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.399 2.271 25461 1862 1 5 . 1 1 84 84 GLN H H 84 7.467 7.467 7.577 -0.110 25461 1863 1 5 . 1 1 85 85 ILE N N 85 120.448 120.448 120.629 -0.181 25461 1864 1 5 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.625 -0.292 25461 1865 1 5 . 1 1 85 85 ILE C C 85 176.960 176.960 177.487 -0.527 25461 1866 1 5 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.378 1.150 25461 1867 1 5 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.497 0.315 25461 1868 1 5 . 1 1 85 85 ILE H H 85 7.750 7.750 7.587 0.163 25461 1869 1 5 . 1 1 86 86 ARG N N 86 119.593 119.593 119.500 0.093 25461 1870 1 5 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.877 -0.154 25461 1871 1 5 . 1 1 86 86 ARG C C 86 177.115 177.115 178.331 -1.216 25461 1872 1 5 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.575 1.244 25461 1873 1 5 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.663 0.563 25461 1874 1 5 . 1 1 86 86 ARG H H 86 8.868 8.868 7.591 1.277 25461 1875 1 5 . 1 1 87 87 TYR N N 87 116.869 116.869 119.848 -2.979 25461 1876 1 5 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.300 0.200 25461 1877 1 5 . 1 1 87 87 TYR C C 87 177.597 177.597 177.743 -0.146 25461 1878 1 5 . 1 1 87 87 TYR CA C 87 60.123 60.123 59.816 0.307 25461 1879 1 5 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.164 0.271 25461 1880 1 5 . 1 1 87 87 TYR H H 87 7.684 7.684 7.712 -0.028 25461 1881 1 5 . 1 1 88 88 SER N N 88 110.655 110.655 115.816 -5.161 25461 1882 1 5 . 1 1 88 88 SER HA H 88 4.155 4.155 3.964 0.191 25461 1883 1 5 . 1 1 88 88 SER C C 88 177.666 177.666 177.361 0.305 25461 1884 1 5 . 1 1 88 88 SER CA C 88 61.207 61.207 62.093 -0.886 25461 1885 1 5 . 1 1 88 88 SER CB C 88 62.880 62.880 62.959 -0.079 25461 1886 1 5 . 1 1 88 88 SER H H 88 7.510 7.510 8.191 -0.681 25461 1887 1 5 . 1 1 89 89 LEU N N 89 119.356 119.356 122.982 -3.626 25461 1888 1 5 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.107 0.086 25461 1889 1 5 . 1 1 89 89 LEU C C 89 180.057 180.057 179.604 0.453 25461 1890 1 5 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.950 -0.573 25461 1891 1 5 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.810 1.535 25461 1892 1 5 . 1 1 89 89 LEU H H 89 8.522 8.522 8.825 -0.303 25461 1893 1 5 . 1 1 90 90 GLU N N 90 120.190 120.190 119.247 0.943 25461 1894 1 5 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.260 -0.144 25461 1895 1 5 . 1 1 90 90 GLU C C 90 177.812 177.812 179.433 -1.621 25461 1896 1 5 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.489 -0.447 25461 1897 1 5 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.362 0.630 25461 1898 1 5 . 1 1 90 90 GLU H H 90 8.511 8.511 8.037 0.474 25461 1899 1 5 . 1 1 91 91 ASN N N 91 115.736 115.736 118.126 -2.390 25461 1900 1 5 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.445 0.241 25461 1901 1 5 . 1 1 91 91 ASN C C 91 177.109 177.109 177.713 -0.604 25461 1902 1 5 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.876 -0.186 25461 1903 1 5 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.677 1.809 25461 1904 1 5 . 1 1 91 91 ASN H H 91 7.465 7.465 7.999 -0.534 25461 1905 1 5 . 1 1 92 92 THR N N 92 110.330 110.330 110.506 -0.176 25461 1906 1 5 . 1 1 92 92 THR HA H 92 4.142 4.142 4.179 -0.037 25461 1907 1 5 . 1 1 92 92 THR C C 92 176.599 176.599 176.386 0.213 25461 1908 1 5 . 1 1 92 92 THR CA C 92 62.581 62.581 63.755 -1.175 25461 1909 1 5 . 1 1 92 92 THR CB C 92 70.198 70.198 69.615 0.583 25461 1910 1 5 . 1 1 92 92 THR H H 92 9.251 9.251 8.180 1.071 25461 1911 1 5 . 1 1 93 93 GLY N N 93 112.211 112.211 110.479 1.732 25461 1912 1 5 . 1 1 93 93 GLY C C 93 174.132 174.132 173.797 0.335 25461 1913 1 5 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.077 0.594 25461 1914 1 5 . 1 1 93 93 GLY H H 93 8.682 8.682 8.357 0.325 25461 1915 1 5 . 1 1 94 94 SER N N 94 111.808 111.808 115.210 -3.402 25461 1916 1 5 . 1 1 94 94 SER HA H 94 4.784 4.784 4.706 0.078 25461 1917 1 5 . 1 1 94 94 SER C C 94 173.862 173.862 174.506 -0.644 25461 1918 1 5 . 1 1 94 94 SER CA C 94 56.221 56.221 56.812 -0.591 25461 1919 1 5 . 1 1 94 94 SER CB C 94 64.454 64.454 65.985 -1.531 25461 1920 1 5 . 1 1 94 94 SER H H 94 8.058 8.058 7.277 0.781 25461 1921 1 5 . 1 1 95 95 VAL N N 95 129.818 129.818 127.284 2.534 25461 1922 1 5 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.593 -0.236 25461 1923 1 5 . 1 1 95 95 VAL C C 95 176.909 176.909 177.581 -0.672 25461 1924 1 5 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.285 -0.479 25461 1925 1 5 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.904 0.415 25461 1926 1 5 . 1 1 95 95 VAL H H 95 8.983 8.983 8.975 0.008 25461 1927 1 5 . 1 1 96 96 GLU N N 96 117.745 117.745 119.317 -1.572 25461 1928 1 5 . 1 1 96 96 GLU HA H 96 3.824 3.824 4.022 -0.198 25461 1929 1 5 . 1 1 96 96 GLU C C 96 179.126 179.126 178.268 0.858 25461 1930 1 5 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.595 1.230 25461 1931 1 5 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.859 0.150 25461 1932 1 5 . 1 1 96 96 GLU H H 96 8.673 8.673 8.599 0.074 25461 1933 1 5 . 1 1 97 97 GLU N N 97 120.049 120.049 120.080 -0.031 25461 1934 1 5 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.121 0.025 25461 1935 1 5 . 1 1 97 97 GLU C C 97 178.947 178.947 178.883 0.064 25461 1936 1 5 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.204 -0.263 25461 1937 1 5 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.910 0.834 25461 1938 1 5 . 1 1 97 97 GLU H H 97 8.125 8.125 8.468 -0.343 25461 1939 1 5 . 1 1 98 98 THR N N 98 118.623 118.623 117.591 1.032 25461 1940 1 5 . 1 1 98 98 THR HA H 98 3.805 3.805 4.090 -0.285 25461 1941 1 5 . 1 1 98 98 THR C C 98 175.676 175.676 176.744 -1.068 25461 1942 1 5 . 1 1 98 98 THR CA C 98 70.162 70.162 66.992 3.170 25461 1943 1 5 . 1 1 98 98 THR CB C 98 69.317 69.317 68.872 0.445 25461 1944 1 5 . 1 1 98 98 THR H H 98 8.038 8.038 7.885 0.153 25461 1945 1 5 . 1 1 99 99 VAL N N 99 120.683 120.683 120.785 -0.102 25461 1946 1 5 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.885 -0.344 25461 1947 1 5 . 1 1 99 99 VAL C C 99 177.456 177.456 177.901 -0.445 25461 1948 1 5 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.143 1.781 25461 1949 1 5 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.874 0.692 25461 1950 1 5 . 1 1 99 99 VAL H H 99 8.724 8.724 8.367 0.357 25461 1951 1 5 . 1 1 100 100 GLU N N 100 120.914 120.914 119.895 1.019 25461 1952 1 5 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.123 -0.109 25461 1953 1 5 . 1 1 100 100 GLU C C 100 179.857 179.857 179.347 0.510 25461 1954 1 5 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.788 0.433 25461 1955 1 5 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.576 -0.368 25461 1956 1 5 . 1 1 100 100 GLU H H 100 8.324 8.324 8.429 -0.105 25461 1957 1 5 . 1 1 101 101 ARG N N 101 118.451 118.451 118.834 -0.383 25461 1958 1 5 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.195 -0.322 25461 1959 1 5 . 1 1 101 101 ARG C C 101 178.078 178.078 178.239 -0.161 25461 1960 1 5 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.910 1.068 25461 1961 1 5 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.887 0.059 25461 1962 1 5 . 1 1 101 101 ARG H H 101 8.197 8.197 8.478 -0.281 25461 1963 1 5 . 1 1 102 102 TYR N N 102 119.888 119.888 123.852 -3.964 25461 1964 1 5 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.449 0.026 25461 1965 1 5 . 1 1 102 102 TYR C C 102 180.056 180.056 177.980 2.076 25461 1966 1 5 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.103 0.423 25461 1967 1 5 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.414 -0.898 25461 1968 1 5 . 1 1 102 102 TYR H H 102 8.180 8.180 8.230 -0.050 25461 1969 1 5 . 1 1 103 103 LEU N N 103 122.091 122.091 118.334 3.757 25461 1970 1 5 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.615 0.216 25461 1971 1 5 . 1 1 103 103 LEU C C 103 178.973 178.973 178.003 0.970 25461 1972 1 5 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.261 0.164 25461 1973 1 5 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.311 0.311 25461 1974 1 5 . 1 1 103 103 LEU H H 103 9.050 9.050 7.984 1.066 25461 1975 1 5 . 1 1 104 104 ARG N N 104 116.388 116.388 119.212 -2.824 25461 1976 1 5 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.260 0.116 25461 1977 1 5 . 1 1 104 104 ARG C C 104 176.877 176.877 177.448 -0.571 25461 1978 1 5 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.139 0.433 25461 1979 1 5 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.511 -0.033 25461 1980 1 5 . 1 1 104 104 ARG H H 104 7.888 7.888 7.513 0.375 25461 1981 1 5 . 1 1 105 105 GLY N N 105 107.432 107.432 110.260 -2.828 25461 1982 1 5 . 1 1 105 105 GLY C C 105 174.796 174.796 174.723 0.073 25461 1983 1 5 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.492 -0.160 25461 1984 1 5 . 1 1 105 105 GLY H H 105 7.688 7.688 7.973 -0.285 25461 1985 1 5 . 1 1 106 106 ASP N N 106 121.505 121.505 120.697 0.808 25461 1986 1 5 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.599 -0.218 25461 1987 1 5 . 1 1 106 106 ASP C C 106 175.595 175.595 176.744 -1.149 25461 1988 1 5 . 1 1 106 106 ASP CA C 106 55.037 55.037 53.854 1.183 25461 1989 1 5 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.097 -1.526 25461 1990 1 5 . 1 1 106 106 ASP H H 106 7.878 7.878 8.065 -0.187 25461 1991 1 5 . 1 1 107 107 GLU N N 107 119.581 119.581 118.519 1.062 25461 1992 1 5 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.401 -0.019 25461 1993 1 5 . 1 1 107 107 GLU C C 107 177.123 177.123 175.503 1.620 25461 1994 1 5 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.778 -0.303 25461 1995 1 5 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.373 0.149 25461 1996 1 5 . 1 1 107 107 GLU H H 107 8.394 8.394 8.466 -0.071 25461 1997 1 5 . 1 1 108 108 PHE N N 108 126.975 126.975 120.157 6.818 25461 1998 1 5 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.754 -0.132 25461 1999 1 5 . 1 1 108 108 PHE C C 108 176.186 176.186 175.059 1.127 25461 2000 1 5 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.581 -0.351 25461 2001 1 5 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.690 -0.446 25461 2002 1 5 . 1 1 108 108 PHE H H 108 9.373 9.373 8.686 0.687 25461 2003 1 5 . 1 1 109 109 SER N N 109 121.198 121.198 119.557 1.641 25461 2004 1 5 . 1 1 109 109 SER HA H 109 4.582 4.582 4.748 -0.166 25461 2005 1 5 . 1 1 109 109 SER C C 109 175.060 175.060 173.380 1.680 25461 2006 1 5 . 1 1 109 109 SER CA C 109 58.928 58.928 57.460 1.468 25461 2007 1 5 . 1 1 109 109 SER CB C 109 64.213 64.213 64.841 -0.628 25461 2008 1 5 . 1 1 109 109 SER H H 109 8.694 8.694 8.254 0.440 25461 2009 1 5 . 1 1 110 110 PHE N N 110 121.734 121.734 120.408 1.326 25461 2010 1 5 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.501 -0.314 25461 2011 1 5 . 1 1 110 110 PHE C C 110 172.930 172.930 174.057 -1.127 25461 2012 1 5 . 1 1 110 110 PHE CA C 110 57.749 57.749 56.055 1.694 25461 2013 1 5 . 1 1 110 110 PHE CB C 110 38.497 38.497 38.910 -0.413 25461 2014 1 5 . 1 1 110 110 PHE H H 110 8.965 8.965 8.507 0.458 25461 2015 1 5 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.584 -0.235 25461 2016 1 5 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.299 -0.227 25461 2017 1 5 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.272 0.046 25461 2018 1 5 . 1 1 112 112 PRO C C 112 177.703 177.703 178.454 -0.751 25461 2019 1 5 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.308 0.281 25461 2020 1 5 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.511 0.247 25461 2021 1 5 . 1 1 113 113 GLY N N 113 110.960 110.960 109.317 1.643 25461 2022 1 5 . 1 1 113 113 GLY C C 113 174.074 174.074 175.052 -0.978 25461 2023 1 5 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.564 -0.404 25461 2024 1 5 . 1 1 113 113 GLY H H 113 8.682 8.682 8.616 0.066 25461 2025 1 5 . 1 1 114 114 PHE N N 114 120.992 120.992 120.476 0.516 25461 2026 1 5 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.366 -0.056 25461 2027 1 5 . 1 1 114 114 PHE C C 114 174.567 174.567 176.143 -1.576 25461 2028 1 5 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.222 0.102 25461 2029 1 5 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.739 0.410 25461 2030 1 5 . 1 1 114 114 PHE H H 114 7.771 7.771 7.819 -0.048 25461 2031 1 6 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.226 0.131 25461 2032 1 6 . 1 1 42 42 ALA C C 42 177.825 177.825 178.352 -0.527 25461 2033 1 6 . 1 1 42 42 ALA CA C 42 52.674 52.674 53.112 -0.438 25461 2034 1 6 . 1 1 42 42 ALA CB C 42 19.452 19.452 18.645 0.807 25461 2035 1 6 . 1 1 43 43 MET N N 43 119.667 119.667 116.792 2.875 25461 2036 1 6 . 1 1 43 43 MET HA H 43 4.549 4.549 4.065 0.484 25461 2037 1 6 . 1 1 43 43 MET C C 43 176.478 176.478 175.640 0.838 25461 2038 1 6 . 1 1 43 43 MET CA C 43 55.344 55.344 56.400 -1.056 25461 2039 1 6 . 1 1 43 43 MET CB C 43 33.129 33.129 31.169 1.960 25461 2040 1 6 . 1 1 43 43 MET H H 43 8.507 8.507 8.614 -0.107 25461 2041 1 6 . 1 1 44 44 GLY N N 44 110.244 110.244 107.201 3.043 25461 2042 1 6 . 1 1 44 44 GLY C C 44 172.009 172.009 172.252 -0.243 25461 2043 1 6 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.349 0.292 25461 2044 1 6 . 1 1 44 44 GLY H H 44 8.251 8.251 7.819 0.432 25461 2045 1 6 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.599 -0.166 25461 2046 1 6 . 1 1 45 45 PRO C C 45 177.510 177.510 176.683 0.827 25461 2047 1 6 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.444 0.960 25461 2048 1 6 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.644 -0.538 25461 2049 1 6 . 1 1 46 46 GLN N N 46 120.607 120.607 119.107 1.500 25461 2050 1 6 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.175 0.171 25461 2051 1 6 . 1 1 46 46 GLN C C 46 176.687 176.687 175.768 0.919 25461 2052 1 6 . 1 1 46 46 GLN CA C 46 56.056 56.056 56.169 -0.113 25461 2053 1 6 . 1 1 46 46 GLN CB C 46 29.423 29.423 28.749 0.674 25461 2054 1 6 . 1 1 46 46 GLN H H 46 8.628 8.628 8.415 0.213 25461 2055 1 6 . 1 1 47 47 GLY N N 47 110.011 110.011 106.976 3.035 25461 2056 1 6 . 1 1 47 47 GLY C C 47 174.308 174.308 174.037 0.271 25461 2057 1 6 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.592 0.842 25461 2058 1 6 . 1 1 47 47 GLY H H 47 8.411 8.411 8.395 0.016 25461 2059 1 6 . 1 1 48 48 SER N N 48 115.646 115.646 116.845 -1.199 25461 2060 1 6 . 1 1 48 48 SER HA H 48 4.542 4.542 4.534 0.008 25461 2061 1 6 . 1 1 48 48 SER C C 48 175.288 175.288 175.535 -0.247 25461 2062 1 6 . 1 1 48 48 SER CA C 48 58.437 58.437 58.434 0.002 25461 2063 1 6 . 1 1 48 48 SER CB C 48 63.965 63.965 63.152 0.813 25461 2064 1 6 . 1 1 48 48 SER H H 48 8.284 8.284 7.957 0.327 25461 2065 1 6 . 1 1 49 49 THR N N 49 115.928 115.928 121.846 -5.918 25461 2066 1 6 . 1 1 49 49 THR HA H 49 4.343 4.343 4.114 0.229 25461 2067 1 6 . 1 1 49 49 THR C C 49 174.948 174.948 174.388 0.560 25461 2068 1 6 . 1 1 49 49 THR CA C 49 62.294 62.294 63.294 -1.000 25461 2069 1 6 . 1 1 49 49 THR CB C 49 69.614 69.614 69.342 0.272 25461 2070 1 6 . 1 1 49 49 THR H H 49 8.282 8.282 8.736 -0.454 25461 2071 1 6 . 1 1 50 50 GLN N N 50 122.155 122.155 119.390 2.765 25461 2072 1 6 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.079 0.308 25461 2073 1 6 . 1 1 50 50 GLN C C 50 176.071 176.071 174.917 1.154 25461 2074 1 6 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.947 0.443 25461 2075 1 6 . 1 1 50 50 GLN CB C 50 29.226 29.226 27.895 1.331 25461 2076 1 6 . 1 1 50 50 GLN H H 50 8.401 8.401 8.425 -0.024 25461 2077 1 6 . 1 1 51 51 ASN N N 51 119.604 119.604 116.893 2.711 25461 2078 1 6 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.615 0.023 25461 2079 1 6 . 1 1 51 51 ASN C C 51 175.275 175.275 174.443 0.832 25461 2080 1 6 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.636 0.014 25461 2081 1 6 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.351 -0.494 25461 2082 1 6 . 1 1 51 51 ASN H H 51 8.395 8.395 8.188 0.207 25461 2083 1 6 . 1 1 52 52 ALA N N 52 124.054 124.054 122.005 2.049 25461 2084 1 6 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.682 -0.420 25461 2085 1 6 . 1 1 52 52 ALA C C 52 177.915 177.915 176.094 1.821 25461 2086 1 6 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.753 1.338 25461 2087 1 6 . 1 1 52 52 ALA CB C 52 19.174 19.174 20.890 -1.716 25461 2088 1 6 . 1 1 52 52 ALA H H 52 8.227 8.227 8.290 -0.063 25461 2089 1 6 . 1 1 53 53 LEU N N 53 120.325 120.325 116.864 3.461 25461 2090 1 6 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.818 -0.526 25461 2091 1 6 . 1 1 53 53 LEU C C 53 177.531 177.531 176.362 1.169 25461 2092 1 6 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.733 0.709 25461 2093 1 6 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.345 -0.138 25461 2094 1 6 . 1 1 53 53 LEU H H 53 8.097 8.097 8.809 -0.712 25461 2095 1 6 . 1 1 54 54 ARG N N 54 121.409 121.409 119.394 2.015 25461 2096 1 6 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.586 -0.253 25461 2097 1 6 . 1 1 54 54 ARG C C 54 176.332 176.332 174.830 1.502 25461 2098 1 6 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.238 0.949 25461 2099 1 6 . 1 1 54 54 ARG CB C 54 30.736 30.736 31.850 -1.114 25461 2100 1 6 . 1 1 54 54 ARG H H 54 8.155 8.155 8.026 0.129 25461 2101 1 6 . 1 1 55 55 ARG N N 55 122.380 122.380 121.313 1.067 25461 2102 1 6 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.658 -0.240 25461 2103 1 6 . 1 1 55 55 ARG C C 55 176.563 176.563 176.249 0.314 25461 2104 1 6 . 1 1 55 55 ARG CA C 55 56.289 56.289 55.990 0.299 25461 2105 1 6 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.360 0.478 25461 2106 1 6 . 1 1 55 55 ARG H H 55 8.389 8.389 8.726 -0.337 25461 2107 1 6 . 1 1 56 56 THR N N 56 114.693 114.693 118.798 -4.105 25461 2108 1 6 . 1 1 56 56 THR HA H 56 4.372 4.372 4.271 0.101 25461 2109 1 6 . 1 1 56 56 THR C C 56 175.062 175.062 174.627 0.435 25461 2110 1 6 . 1 1 56 56 THR CA C 56 61.926 61.926 62.324 -0.398 25461 2111 1 6 . 1 1 56 56 THR CB C 56 70.016 70.016 69.159 0.857 25461 2112 1 6 . 1 1 56 56 THR H H 56 8.204 8.204 8.649 -0.445 25461 2113 1 6 . 1 1 57 57 GLY N N 57 111.042 111.042 110.024 1.018 25461 2114 1 6 . 1 1 57 57 GLY C C 57 173.868 173.868 173.235 0.633 25461 2115 1 6 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.754 0.537 25461 2116 1 6 . 1 1 57 57 GLY H H 57 8.424 8.424 7.989 0.435 25461 2117 1 6 . 1 1 58 58 ARG N N 58 120.824 120.824 119.028 1.796 25461 2118 1 6 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.500 -0.114 25461 2119 1 6 . 1 1 58 58 ARG C C 58 176.522 176.522 175.598 0.924 25461 2120 1 6 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.047 1.064 25461 2121 1 6 . 1 1 58 58 ARG CB C 58 31.074 31.074 31.507 -0.433 25461 2122 1 6 . 1 1 58 58 ARG H H 58 8.232 8.232 7.948 0.284 25461 2123 1 6 . 1 1 59 59 VAL N N 59 121.437 121.437 120.692 0.745 25461 2124 1 6 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.163 -0.043 25461 2125 1 6 . 1 1 59 59 VAL C C 59 176.022 176.022 176.654 -0.632 25461 2126 1 6 . 1 1 59 59 VAL CA C 59 62.413 62.413 63.673 -1.260 25461 2127 1 6 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.360 0.455 25461 2128 1 6 . 1 1 59 59 VAL H H 59 8.307 8.307 8.370 -0.063 25461 2129 1 6 . 1 1 60 60 ASN N N 60 122.487 122.487 119.637 2.850 25461 2130 1 6 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.734 0.003 25461 2131 1 6 . 1 1 60 60 ASN C C 60 175.521 175.521 175.363 0.158 25461 2132 1 6 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.838 0.537 25461 2133 1 6 . 1 1 60 60 ASN CB C 60 39.098 39.098 37.827 1.271 25461 2134 1 6 . 1 1 60 60 ASN H H 60 8.593 8.593 8.287 0.306 25461 2135 1 6 . 1 1 61 61 GLY N N 61 109.681 109.681 108.479 1.202 25461 2136 1 6 . 1 1 61 61 GLY C C 61 174.361 174.361 174.591 -0.230 25461 2137 1 6 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.220 1.279 25461 2138 1 6 . 1 1 61 61 GLY H H 61 8.407 8.407 7.387 1.020 25461 2139 1 6 . 1 1 62 62 GLY N N 62 108.197 108.197 108.319 -0.122 25461 2140 1 6 . 1 1 62 62 GLY C C 62 173.866 173.866 174.120 -0.254 25461 2141 1 6 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.920 0.192 25461 2142 1 6 . 1 1 62 62 GLY H H 62 8.209 8.209 8.449 -0.240 25461 2143 1 6 . 1 1 63 63 HIS N N 63 121.370 121.370 117.861 3.509 25461 2144 1 6 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.901 -0.102 25461 2145 1 6 . 1 1 63 63 HIS C C 63 173.562 173.562 173.536 0.026 25461 2146 1 6 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.013 0.833 25461 2147 1 6 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.446 -2.274 25461 2148 1 6 . 1 1 63 63 HIS H H 63 8.587 8.587 7.695 0.892 25461 2149 1 6 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.574 -0.113 25461 2150 1 6 . 1 1 64 64 PRO C C 64 176.406 176.406 176.518 -0.112 25461 2151 1 6 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.099 -0.011 25461 2152 1 6 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.872 0.131 25461 2153 1 6 . 1 1 65 65 VAL N N 65 122.214 122.214 119.048 3.166 25461 2154 1 6 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.675 -0.321 25461 2155 1 6 . 1 1 65 65 VAL C C 65 176.217 176.217 175.321 0.896 25461 2156 1 6 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.405 2.828 25461 2157 1 6 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.724 -0.370 25461 2158 1 6 . 1 1 65 65 VAL H H 65 8.436 8.436 8.147 0.289 25461 2159 1 6 . 1 1 66 66 THR N N 66 118.215 118.215 111.786 6.429 25461 2160 1 6 . 1 1 66 66 THR HA H 66 4.844 4.844 4.793 0.051 25461 2161 1 6 . 1 1 66 66 THR C C 66 175.632 175.632 175.651 -0.019 25461 2162 1 6 . 1 1 66 66 THR CA C 66 59.250 59.250 60.091 -0.841 25461 2163 1 6 . 1 1 66 66 THR CB C 66 71.632 71.632 71.480 0.152 25461 2164 1 6 . 1 1 66 66 THR H H 66 7.765 7.765 7.990 -0.225 25461 2165 1 6 . 1 1 67 67 THR N N 67 116.809 116.809 116.295 0.514 25461 2166 1 6 . 1 1 67 67 THR HA H 67 3.846 3.846 3.973 -0.127 25461 2167 1 6 . 1 1 67 67 THR C C 67 176.323 176.323 176.666 -0.343 25461 2168 1 6 . 1 1 67 67 THR CA C 67 66.206 66.206 65.574 0.632 25461 2169 1 6 . 1 1 67 67 THR CB C 67 68.417 68.417 68.653 -0.236 25461 2170 1 6 . 1 1 67 67 THR H H 67 8.901 8.901 8.462 0.439 25461 2171 1 6 . 1 1 68 68 GLN N N 68 120.255 120.255 120.436 -0.181 25461 2172 1 6 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.210 -0.127 25461 2173 1 6 . 1 1 68 68 GLN C C 68 179.056 179.056 178.149 0.907 25461 2174 1 6 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.663 0.991 25461 2175 1 6 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.776 0.155 25461 2176 1 6 . 1 1 68 68 GLN H H 68 8.290 8.290 8.875 -0.585 25461 2177 1 6 . 1 1 69 69 MET N N 69 120.434 120.434 118.761 1.673 25461 2178 1 6 . 1 1 69 69 MET HA H 69 3.918 3.918 4.165 -0.247 25461 2179 1 6 . 1 1 69 69 MET C C 69 177.390 177.390 178.101 -0.711 25461 2180 1 6 . 1 1 69 69 MET CA C 69 59.757 59.757 58.869 0.888 25461 2181 1 6 . 1 1 69 69 MET CB C 69 35.178 35.178 32.255 2.923 25461 2182 1 6 . 1 1 69 69 MET H H 69 7.718 7.718 7.998 -0.280 25461 2183 1 6 . 1 1 70 70 VAL N N 70 118.137 118.137 119.877 -1.740 25461 2184 1 6 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.564 -0.230 25461 2185 1 6 . 1 1 70 70 VAL C C 70 177.985 177.985 178.127 -0.142 25461 2186 1 6 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.364 0.010 25461 2187 1 6 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.642 1.048 25461 2188 1 6 . 1 1 70 70 VAL H H 70 7.322 7.322 7.707 -0.385 25461 2189 1 6 . 1 1 71 71 GLU N N 71 118.717 118.717 119.131 -0.414 25461 2190 1 6 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.911 0.021 25461 2191 1 6 . 1 1 71 71 GLU C C 71 178.984 178.984 178.980 0.004 25461 2192 1 6 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.507 -0.179 25461 2193 1 6 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.831 0.751 25461 2194 1 6 . 1 1 71 71 GLU H H 71 8.446 8.446 8.371 0.075 25461 2195 1 6 . 1 1 72 72 THR N N 72 116.413 116.413 117.776 -1.363 25461 2196 1 6 . 1 1 72 72 THR HA H 72 3.885 3.885 3.930 -0.045 25461 2197 1 6 . 1 1 72 72 THR C C 72 176.837 176.837 176.635 0.202 25461 2198 1 6 . 1 1 72 72 THR CA C 72 66.924 66.924 67.016 -0.092 25461 2199 1 6 . 1 1 72 72 THR CB C 72 68.594 68.594 68.454 0.140 25461 2200 1 6 . 1 1 72 72 THR H H 72 8.055 8.055 8.220 -0.165 25461 2201 1 6 . 1 1 73 73 VAL N N 73 119.440 119.440 121.204 -1.764 25461 2202 1 6 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.432 -0.071 25461 2203 1 6 . 1 1 73 73 VAL C C 73 177.119 177.119 177.656 -0.537 25461 2204 1 6 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.695 -0.223 25461 2205 1 6 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.329 -0.416 25461 2206 1 6 . 1 1 73 73 VAL H H 73 7.521 7.521 7.744 -0.223 25461 2207 1 6 . 1 1 74 74 GLN N N 74 120.105 120.105 118.859 1.246 25461 2208 1 6 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.938 -0.297 25461 2209 1 6 . 1 1 74 74 GLN C C 74 177.761 177.761 178.377 -0.616 25461 2210 1 6 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.635 0.089 25461 2211 1 6 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.244 1.053 25461 2212 1 6 . 1 1 74 74 GLN H H 74 8.884 8.884 8.322 0.562 25461 2213 1 6 . 1 1 75 75 ASN N N 75 113.460 113.460 117.492 -4.032 25461 2214 1 6 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.461 -0.099 25461 2215 1 6 . 1 1 75 75 ASN C C 75 176.122 176.122 177.484 -1.362 25461 2216 1 6 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.795 -0.304 25461 2217 1 6 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.709 0.263 25461 2218 1 6 . 1 1 75 75 ASN H H 75 7.472 7.472 8.085 -0.613 25461 2219 1 6 . 1 1 76 76 LEU N N 76 118.225 118.225 117.076 1.149 25461 2220 1 6 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.458 -0.151 25461 2221 1 6 . 1 1 76 76 LEU C C 76 175.358 175.358 176.648 -1.290 25461 2222 1 6 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.777 -0.399 25461 2223 1 6 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.609 0.827 25461 2224 1 6 . 1 1 76 76 LEU H H 76 7.130 7.130 7.591 -0.461 25461 2225 1 6 . 1 1 77 77 ALA N N 77 122.753 122.753 119.712 3.041 25461 2226 1 6 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.567 -0.121 25461 2227 1 6 . 1 1 77 77 ALA C C 77 173.976 173.976 175.068 -1.092 25461 2228 1 6 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.812 -0.390 25461 2229 1 6 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.480 -1.097 25461 2230 1 6 . 1 1 77 77 ALA H H 77 7.784 7.784 7.723 0.061 25461 2231 1 6 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.442 -0.056 25461 2232 1 6 . 1 1 78 78 PRO C C 78 177.311 177.311 176.871 0.440 25461 2233 1 6 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.932 0.666 25461 2234 1 6 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.925 0.216 25461 2235 1 6 . 1 1 79 79 ASN N N 79 111.571 111.571 115.745 -4.174 25461 2236 1 6 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.604 0.150 25461 2237 1 6 . 1 1 79 79 ASN C C 79 175.765 175.765 175.472 0.293 25461 2238 1 6 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.565 -0.403 25461 2239 1 6 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.153 -1.271 25461 2240 1 6 . 1 1 79 79 ASN H H 79 7.868 7.868 8.233 -0.365 25461 2241 1 6 . 1 1 80 80 LEU N N 80 119.219 119.219 118.505 0.714 25461 2242 1 6 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.278 0.090 25461 2243 1 6 . 1 1 80 80 LEU C C 80 175.715 175.715 176.046 -0.331 25461 2244 1 6 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.570 0.279 25461 2245 1 6 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.109 0.063 25461 2246 1 6 . 1 1 80 80 LEU H H 80 7.176 7.176 7.222 -0.046 25461 2247 1 6 . 1 1 81 81 HIS N N 81 123.894 123.894 121.828 2.066 25461 2248 1 6 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.625 0.117 25461 2249 1 6 . 1 1 81 81 HIS C C 81 176.185 176.185 175.137 1.048 25461 2250 1 6 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.486 0.006 25461 2251 1 6 . 1 1 81 81 HIS CB C 81 33.176 33.176 31.994 1.181 25461 2252 1 6 . 1 1 81 81 HIS H H 81 9.023 9.023 8.345 0.678 25461 2253 1 6 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.445 -0.432 25461 2254 1 6 . 1 1 82 82 PRO C C 82 178.774 178.774 178.171 0.603 25461 2255 1 6 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.028 1.367 25461 2256 1 6 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.338 -0.303 25461 2257 1 6 . 1 1 83 83 GLU N N 83 120.128 120.128 118.469 1.659 25461 2258 1 6 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.228 0.182 25461 2259 1 6 . 1 1 83 83 GLU C C 83 181.651 181.651 178.801 2.850 25461 2260 1 6 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.963 0.266 25461 2261 1 6 . 1 1 83 83 GLU CB C 83 29.296 29.296 30.141 -0.845 25461 2262 1 6 . 1 1 83 83 GLU H H 83 11.938 11.938 8.590 3.348 25461 2263 1 6 . 1 1 84 84 GLN N N 84 117.052 117.052 119.158 -2.106 25461 2264 1 6 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.837 0.144 25461 2265 1 6 . 1 1 84 84 GLN C C 84 179.958 179.958 178.627 1.331 25461 2266 1 6 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.588 0.362 25461 2267 1 6 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.325 2.345 25461 2268 1 6 . 1 1 84 84 GLN H H 84 7.467 7.467 7.380 0.087 25461 2269 1 6 . 1 1 85 85 ILE N N 85 120.448 120.448 120.099 0.349 25461 2270 1 6 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.721 -0.388 25461 2271 1 6 . 1 1 85 85 ILE C C 85 176.960 176.960 178.673 -1.713 25461 2272 1 6 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.391 1.137 25461 2273 1 6 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.633 0.179 25461 2274 1 6 . 1 1 85 85 ILE H H 85 7.750 7.750 7.466 0.284 25461 2275 1 6 . 1 1 86 86 ARG N N 86 119.593 119.593 120.095 -0.502 25461 2276 1 6 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.954 -0.231 25461 2277 1 6 . 1 1 86 86 ARG C C 86 177.115 177.115 178.065 -0.950 25461 2278 1 6 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.391 1.428 25461 2279 1 6 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.197 1.029 25461 2280 1 6 . 1 1 86 86 ARG H H 86 8.868 8.868 8.072 0.796 25461 2281 1 6 . 1 1 87 87 TYR N N 87 116.869 116.869 120.597 -3.728 25461 2282 1 6 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.282 0.218 25461 2283 1 6 . 1 1 87 87 TYR C C 87 177.597 177.597 177.763 -0.166 25461 2284 1 6 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.757 -0.634 25461 2285 1 6 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.348 0.087 25461 2286 1 6 . 1 1 87 87 TYR H H 87 7.684 7.684 7.826 -0.142 25461 2287 1 6 . 1 1 88 88 SER N N 88 110.655 110.655 116.084 -5.429 25461 2288 1 6 . 1 1 88 88 SER HA H 88 4.155 4.155 3.904 0.251 25461 2289 1 6 . 1 1 88 88 SER C C 88 177.666 177.666 176.743 0.923 25461 2290 1 6 . 1 1 88 88 SER CA C 88 61.207 61.207 61.756 -0.549 25461 2291 1 6 . 1 1 88 88 SER CB C 88 62.880 62.880 62.412 0.468 25461 2292 1 6 . 1 1 88 88 SER H H 88 7.510 7.510 8.618 -1.108 25461 2293 1 6 . 1 1 89 89 LEU N N 89 119.356 119.356 123.229 -3.873 25461 2294 1 6 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.160 0.033 25461 2295 1 6 . 1 1 89 89 LEU C C 89 180.057 180.057 179.924 0.133 25461 2296 1 6 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.735 -0.358 25461 2297 1 6 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.462 1.883 25461 2298 1 6 . 1 1 89 89 LEU H H 89 8.522 8.522 8.576 -0.054 25461 2299 1 6 . 1 1 90 90 GLU N N 90 120.190 120.190 118.853 1.337 25461 2300 1 6 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.223 -0.107 25461 2301 1 6 . 1 1 90 90 GLU C C 90 177.812 177.812 178.960 -1.148 25461 2302 1 6 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.194 -0.152 25461 2303 1 6 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.401 0.591 25461 2304 1 6 . 1 1 90 90 GLU H H 90 8.511 8.511 7.924 0.587 25461 2305 1 6 . 1 1 91 91 ASN N N 91 115.736 115.736 116.028 -0.292 25461 2306 1 6 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.560 0.126 25461 2307 1 6 . 1 1 91 91 ASN C C 91 177.109 177.109 176.886 0.223 25461 2308 1 6 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.491 0.199 25461 2309 1 6 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.837 1.649 25461 2310 1 6 . 1 1 91 91 ASN H H 91 7.465 7.465 7.844 -0.379 25461 2311 1 6 . 1 1 92 92 THR N N 92 110.330 110.330 109.907 0.423 25461 2312 1 6 . 1 1 92 92 THR HA H 92 4.142 4.142 4.280 -0.138 25461 2313 1 6 . 1 1 92 92 THR C C 92 176.599 176.599 175.941 0.658 25461 2314 1 6 . 1 1 92 92 THR CA C 92 62.581 62.581 63.002 -0.421 25461 2315 1 6 . 1 1 92 92 THR CB C 92 70.198 70.198 70.197 0.001 25461 2316 1 6 . 1 1 92 92 THR H H 92 9.251 9.251 8.143 1.108 25461 2317 1 6 . 1 1 93 93 GLY N N 93 112.211 112.211 110.334 1.877 25461 2318 1 6 . 1 1 93 93 GLY C C 93 174.132 174.132 173.911 0.221 25461 2319 1 6 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.044 0.627 25461 2320 1 6 . 1 1 93 93 GLY H H 93 8.682 8.682 8.212 0.470 25461 2321 1 6 . 1 1 94 94 SER N N 94 111.808 111.808 115.332 -3.524 25461 2322 1 6 . 1 1 94 94 SER HA H 94 4.784 4.784 4.747 0.037 25461 2323 1 6 . 1 1 94 94 SER C C 94 173.862 173.862 174.540 -0.678 25461 2324 1 6 . 1 1 94 94 SER CA C 94 56.221 56.221 56.788 -0.567 25461 2325 1 6 . 1 1 94 94 SER CB C 94 64.454 64.454 66.345 -1.891 25461 2326 1 6 . 1 1 94 94 SER H H 94 8.058 8.058 7.319 0.739 25461 2327 1 6 . 1 1 95 95 VAL N N 95 129.818 129.818 125.587 4.231 25461 2328 1 6 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.618 -0.261 25461 2329 1 6 . 1 1 95 95 VAL C C 95 176.909 176.909 177.433 -0.524 25461 2330 1 6 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.386 -0.580 25461 2331 1 6 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.675 0.644 25461 2332 1 6 . 1 1 95 95 VAL H H 95 8.983 8.983 8.889 0.094 25461 2333 1 6 . 1 1 96 96 GLU N N 96 117.745 117.745 119.151 -1.406 25461 2334 1 6 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.858 -0.034 25461 2335 1 6 . 1 1 96 96 GLU C C 96 179.126 179.126 178.421 0.705 25461 2336 1 6 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.854 0.971 25461 2337 1 6 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.230 0.779 25461 2338 1 6 . 1 1 96 96 GLU H H 96 8.673 8.673 8.783 -0.110 25461 2339 1 6 . 1 1 97 97 GLU N N 97 120.049 120.049 119.061 0.988 25461 2340 1 6 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.168 -0.022 25461 2341 1 6 . 1 1 97 97 GLU C C 97 178.947 178.947 178.852 0.095 25461 2342 1 6 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.015 -0.074 25461 2343 1 6 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.964 0.780 25461 2344 1 6 . 1 1 97 97 GLU H H 97 8.125 8.125 8.635 -0.510 25461 2345 1 6 . 1 1 98 98 THR N N 98 118.623 118.623 117.389 1.234 25461 2346 1 6 . 1 1 98 98 THR HA H 98 3.805 3.805 4.123 -0.318 25461 2347 1 6 . 1 1 98 98 THR C C 98 175.676 175.676 177.257 -1.581 25461 2348 1 6 . 1 1 98 98 THR CA C 98 70.162 70.162 67.263 2.899 25461 2349 1 6 . 1 1 98 98 THR CB C 98 69.317 69.317 68.526 0.791 25461 2350 1 6 . 1 1 98 98 THR H H 98 8.038 8.038 7.683 0.355 25461 2351 1 6 . 1 1 99 99 VAL N N 99 120.683 120.683 120.836 -0.153 25461 2352 1 6 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.853 -0.312 25461 2353 1 6 . 1 1 99 99 VAL C C 99 177.456 177.456 177.708 -0.252 25461 2354 1 6 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.404 1.520 25461 2355 1 6 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.807 0.759 25461 2356 1 6 . 1 1 99 99 VAL H H 99 8.724 8.724 8.450 0.274 25461 2357 1 6 . 1 1 100 100 GLU N N 100 120.914 120.914 120.100 0.814 25461 2358 1 6 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.141 -0.127 25461 2359 1 6 . 1 1 100 100 GLU C C 100 179.857 179.857 179.342 0.515 25461 2360 1 6 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.839 0.381 25461 2361 1 6 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.487 -0.279 25461 2362 1 6 . 1 1 100 100 GLU H H 100 8.324 8.324 8.292 0.032 25461 2363 1 6 . 1 1 101 101 ARG N N 101 118.451 118.451 118.098 0.353 25461 2364 1 6 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.143 -0.270 25461 2365 1 6 . 1 1 101 101 ARG C C 101 178.078 178.078 178.214 -0.136 25461 2366 1 6 . 1 1 101 101 ARG CA C 101 59.978 59.978 59.106 0.872 25461 2367 1 6 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.783 0.163 25461 2368 1 6 . 1 1 101 101 ARG H H 101 8.197 8.197 8.566 -0.369 25461 2369 1 6 . 1 1 102 102 TYR N N 102 119.888 119.888 123.774 -3.886 25461 2370 1 6 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.415 0.060 25461 2371 1 6 . 1 1 102 102 TYR C C 102 180.056 180.056 178.054 2.002 25461 2372 1 6 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.115 0.411 25461 2373 1 6 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.401 -0.885 25461 2374 1 6 . 1 1 102 102 TYR H H 102 8.180 8.180 8.201 -0.021 25461 2375 1 6 . 1 1 103 103 LEU N N 103 122.091 122.091 118.417 3.674 25461 2376 1 6 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.585 0.246 25461 2377 1 6 . 1 1 103 103 LEU C C 103 178.973 178.973 178.127 0.846 25461 2378 1 6 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.274 0.151 25461 2379 1 6 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.305 0.317 25461 2380 1 6 . 1 1 103 103 LEU H H 103 9.050 9.050 8.182 0.868 25461 2381 1 6 . 1 1 104 104 ARG N N 104 116.388 116.388 119.702 -3.314 25461 2382 1 6 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.283 0.093 25461 2383 1 6 . 1 1 104 104 ARG C C 104 176.877 176.877 177.245 -0.368 25461 2384 1 6 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.365 0.207 25461 2385 1 6 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.757 -0.279 25461 2386 1 6 . 1 1 104 104 ARG H H 104 7.888 7.888 7.732 0.156 25461 2387 1 6 . 1 1 105 105 GLY N N 105 107.432 107.432 108.956 -1.524 25461 2388 1 6 . 1 1 105 105 GLY C C 105 174.796 174.796 174.373 0.423 25461 2389 1 6 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.877 0.455 25461 2390 1 6 . 1 1 105 105 GLY H H 105 7.688 7.688 7.948 -0.260 25461 2391 1 6 . 1 1 106 106 ASP N N 106 121.505 121.505 120.679 0.826 25461 2392 1 6 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.630 -0.249 25461 2393 1 6 . 1 1 106 106 ASP C C 106 175.595 175.595 176.516 -0.921 25461 2394 1 6 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.511 0.526 25461 2395 1 6 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.392 -1.821 25461 2396 1 6 . 1 1 106 106 ASP H H 106 7.878 7.878 8.161 -0.283 25461 2397 1 6 . 1 1 107 107 GLU N N 107 119.581 119.581 118.757 0.824 25461 2398 1 6 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.549 -0.167 25461 2399 1 6 . 1 1 107 107 GLU C C 107 177.123 177.123 175.706 1.417 25461 2400 1 6 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.352 0.123 25461 2401 1 6 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.675 -0.153 25461 2402 1 6 . 1 1 107 107 GLU H H 107 8.394 8.394 8.521 -0.127 25461 2403 1 6 . 1 1 108 108 PHE N N 108 126.975 126.975 120.244 6.731 25461 2404 1 6 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.774 -0.152 25461 2405 1 6 . 1 1 108 108 PHE C C 108 176.186 176.186 175.184 1.002 25461 2406 1 6 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.363 -0.133 25461 2407 1 6 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.791 -0.547 25461 2408 1 6 . 1 1 108 108 PHE H H 108 9.373 9.373 8.698 0.675 25461 2409 1 6 . 1 1 109 109 SER N N 109 121.198 121.198 119.162 2.036 25461 2410 1 6 . 1 1 109 109 SER HA H 109 4.582 4.582 4.637 -0.055 25461 2411 1 6 . 1 1 109 109 SER C C 109 175.060 175.060 173.280 1.780 25461 2412 1 6 . 1 1 109 109 SER CA C 109 58.928 58.928 58.529 0.399 25461 2413 1 6 . 1 1 109 109 SER CB C 109 64.213 64.213 65.056 -0.843 25461 2414 1 6 . 1 1 109 109 SER H H 109 8.694 8.694 8.514 0.180 25461 2415 1 6 . 1 1 110 110 PHE N N 110 121.734 121.734 120.216 1.518 25461 2416 1 6 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.512 -0.325 25461 2417 1 6 . 1 1 110 110 PHE C C 110 172.930 172.930 173.574 -0.644 25461 2418 1 6 . 1 1 110 110 PHE CA C 110 57.749 57.749 56.586 1.163 25461 2419 1 6 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.123 -0.626 25461 2420 1 6 . 1 1 110 110 PHE H H 110 8.965 8.965 8.739 0.226 25461 2421 1 6 . 1 1 111 111 PRO HA H 111 3.349 3.349 4.229 -0.880 25461 2422 1 6 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.403 -0.331 25461 2423 1 6 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.270 0.048 25461 2424 1 6 . 1 1 112 112 PRO C C 112 177.703 177.703 177.902 -0.199 25461 2425 1 6 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.925 -0.336 25461 2426 1 6 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.405 0.353 25461 2427 1 6 . 1 1 113 113 GLY N N 113 110.960 110.960 112.868 -1.908 25461 2428 1 6 . 1 1 113 113 GLY C C 113 174.074 174.074 175.003 -0.929 25461 2429 1 6 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.032 0.128 25461 2430 1 6 . 1 1 113 113 GLY H H 113 8.682 8.682 8.600 0.082 25461 2431 1 6 . 1 1 114 114 PHE N N 114 120.992 120.992 120.434 0.558 25461 2432 1 6 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.389 -0.079 25461 2433 1 6 . 1 1 114 114 PHE C C 114 174.567 174.567 176.524 -1.957 25461 2434 1 6 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.886 -0.562 25461 2435 1 6 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.975 0.174 25461 2436 1 6 . 1 1 114 114 PHE H H 114 7.771 7.771 7.996 -0.225 25461 2437 1 7 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.389 -0.032 25461 2438 1 7 . 1 1 42 42 ALA C C 42 177.825 177.825 177.924 -0.099 25461 2439 1 7 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.065 0.609 25461 2440 1 7 . 1 1 42 42 ALA CB C 42 19.452 19.452 17.948 1.504 25461 2441 1 7 . 1 1 43 43 MET N N 43 119.667 119.667 117.790 1.877 25461 2442 1 7 . 1 1 43 43 MET HA H 43 4.549 4.549 4.306 0.243 25461 2443 1 7 . 1 1 43 43 MET C C 43 176.478 176.478 176.769 -0.291 25461 2444 1 7 . 1 1 43 43 MET CA C 43 55.344 55.344 54.899 0.445 25461 2445 1 7 . 1 1 43 43 MET CB C 43 33.129 33.129 32.659 0.470 25461 2446 1 7 . 1 1 43 43 MET H H 43 8.507 8.507 7.862 0.645 25461 2447 1 7 . 1 1 44 44 GLY N N 44 110.244 110.244 107.226 3.018 25461 2448 1 7 . 1 1 44 44 GLY C C 44 172.009 172.009 173.425 -1.416 25461 2449 1 7 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.229 0.413 25461 2450 1 7 . 1 1 44 44 GLY H H 44 8.251 8.251 8.219 0.032 25461 2451 1 7 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.523 -0.090 25461 2452 1 7 . 1 1 45 45 PRO C C 45 177.510 177.510 176.219 1.291 25461 2453 1 7 . 1 1 45 45 PRO CA C 45 63.405 63.405 63.232 0.173 25461 2454 1 7 . 1 1 45 45 PRO CB C 45 32.106 32.106 31.990 0.116 25461 2455 1 7 . 1 1 46 46 GLN N N 46 120.607 120.607 117.584 3.023 25461 2456 1 7 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.521 -0.175 25461 2457 1 7 . 1 1 46 46 GLN C C 46 176.687 176.687 175.752 0.935 25461 2458 1 7 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.254 0.802 25461 2459 1 7 . 1 1 46 46 GLN CB C 46 29.423 29.423 28.691 0.732 25461 2460 1 7 . 1 1 46 46 GLN H H 46 8.628 8.628 8.081 0.547 25461 2461 1 7 . 1 1 47 47 GLY N N 47 110.011 110.011 109.475 0.536 25461 2462 1 7 . 1 1 47 47 GLY C C 47 174.308 174.308 173.727 0.581 25461 2463 1 7 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.375 1.059 25461 2464 1 7 . 1 1 47 47 GLY H H 47 8.411 8.411 7.946 0.465 25461 2465 1 7 . 1 1 48 48 SER N N 48 115.646 115.646 114.017 1.629 25461 2466 1 7 . 1 1 48 48 SER HA H 48 4.542 4.542 4.848 -0.306 25461 2467 1 7 . 1 1 48 48 SER C C 48 175.288 175.288 173.915 1.373 25461 2468 1 7 . 1 1 48 48 SER CA C 48 58.437 58.437 57.916 0.521 25461 2469 1 7 . 1 1 48 48 SER CB C 48 63.965 63.965 65.178 -1.213 25461 2470 1 7 . 1 1 48 48 SER H H 48 8.284 8.284 8.171 0.113 25461 2471 1 7 . 1 1 49 49 THR N N 49 115.928 115.928 114.198 1.730 25461 2472 1 7 . 1 1 49 49 THR HA H 49 4.343 4.343 4.340 0.003 25461 2473 1 7 . 1 1 49 49 THR C C 49 174.948 174.948 173.826 1.122 25461 2474 1 7 . 1 1 49 49 THR CA C 49 62.294 62.294 62.608 -0.314 25461 2475 1 7 . 1 1 49 49 THR CB C 49 69.614 69.614 69.525 0.089 25461 2476 1 7 . 1 1 49 49 THR H H 49 8.282 8.282 8.204 0.078 25461 2477 1 7 . 1 1 50 50 GLN N N 50 122.155 122.155 122.503 -0.348 25461 2478 1 7 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.341 0.046 25461 2479 1 7 . 1 1 50 50 GLN C C 50 176.071 176.071 175.389 0.682 25461 2480 1 7 . 1 1 50 50 GLN CA C 50 56.390 56.390 56.441 -0.050 25461 2481 1 7 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.410 -0.184 25461 2482 1 7 . 1 1 50 50 GLN H H 50 8.401 8.401 8.036 0.365 25461 2483 1 7 . 1 1 51 51 ASN N N 51 119.604 119.604 118.458 1.146 25461 2484 1 7 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.591 0.047 25461 2485 1 7 . 1 1 51 51 ASN C C 51 175.275 175.275 175.129 0.146 25461 2486 1 7 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.258 0.392 25461 2487 1 7 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.986 -0.129 25461 2488 1 7 . 1 1 51 51 ASN H H 51 8.395 8.395 8.401 -0.006 25461 2489 1 7 . 1 1 52 52 ALA N N 52 124.054 124.054 123.383 0.671 25461 2490 1 7 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.685 -0.423 25461 2491 1 7 . 1 1 52 52 ALA C C 52 177.915 177.915 175.688 2.227 25461 2492 1 7 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.043 1.048 25461 2493 1 7 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.838 -0.664 25461 2494 1 7 . 1 1 52 52 ALA H H 52 8.227 8.227 7.987 0.240 25461 2495 1 7 . 1 1 53 53 LEU N N 53 120.325 120.325 120.704 -0.379 25461 2496 1 7 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.668 -0.376 25461 2497 1 7 . 1 1 53 53 LEU C C 53 177.531 177.531 175.401 2.130 25461 2498 1 7 . 1 1 53 53 LEU CA C 53 55.443 55.443 53.373 2.070 25461 2499 1 7 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.066 -1.859 25461 2500 1 7 . 1 1 53 53 LEU H H 53 8.097 8.097 7.571 0.526 25461 2501 1 7 . 1 1 54 54 ARG N N 54 121.409 121.409 121.362 0.047 25461 2502 1 7 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.273 0.060 25461 2503 1 7 . 1 1 54 54 ARG C C 54 176.332 176.332 176.349 -0.017 25461 2504 1 7 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.281 -0.094 25461 2505 1 7 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.115 0.621 25461 2506 1 7 . 1 1 54 54 ARG H H 54 8.155 8.155 8.426 -0.271 25461 2507 1 7 . 1 1 55 55 ARG N N 55 122.380 122.380 125.431 -3.051 25461 2508 1 7 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.209 0.209 25461 2509 1 7 . 1 1 55 55 ARG C C 55 176.563 176.563 176.033 0.530 25461 2510 1 7 . 1 1 55 55 ARG CA C 55 56.289 56.289 57.359 -1.070 25461 2511 1 7 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.775 1.063 25461 2512 1 7 . 1 1 55 55 ARG H H 55 8.389 8.389 8.554 -0.165 25461 2513 1 7 . 1 1 56 56 THR N N 56 114.693 114.693 116.035 -1.342 25461 2514 1 7 . 1 1 56 56 THR HA H 56 4.372 4.372 4.462 -0.090 25461 2515 1 7 . 1 1 56 56 THR C C 56 175.062 175.062 173.735 1.327 25461 2516 1 7 . 1 1 56 56 THR CA C 56 61.926 61.926 61.821 0.105 25461 2517 1 7 . 1 1 56 56 THR CB C 56 70.016 70.016 70.331 -0.315 25461 2518 1 7 . 1 1 56 56 THR H H 56 8.204 8.204 8.104 0.100 25461 2519 1 7 . 1 1 57 57 GLY N N 57 111.042 111.042 111.336 -0.294 25461 2520 1 7 . 1 1 57 57 GLY C C 57 173.868 173.868 172.861 1.007 25461 2521 1 7 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.104 0.187 25461 2522 1 7 . 1 1 57 57 GLY H H 57 8.424 8.424 8.596 -0.172 25461 2523 1 7 . 1 1 58 58 ARG N N 58 120.824 120.824 120.342 0.482 25461 2524 1 7 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.825 -0.439 25461 2525 1 7 . 1 1 58 58 ARG C C 58 176.522 176.522 174.740 1.782 25461 2526 1 7 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.781 0.330 25461 2527 1 7 . 1 1 58 58 ARG CB C 58 31.074 31.074 32.594 -1.520 25461 2528 1 7 . 1 1 58 58 ARG H H 58 8.232 8.232 8.307 -0.075 25461 2529 1 7 . 1 1 59 59 VAL N N 59 121.437 121.437 122.129 -0.692 25461 2530 1 7 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.351 -0.231 25461 2531 1 7 . 1 1 59 59 VAL C C 59 176.022 176.022 174.381 1.641 25461 2532 1 7 . 1 1 59 59 VAL CA C 59 62.413 62.413 61.356 1.057 25461 2533 1 7 . 1 1 59 59 VAL CB C 59 32.815 32.815 34.087 -1.272 25461 2534 1 7 . 1 1 59 59 VAL H H 59 8.307 8.307 8.395 -0.088 25461 2535 1 7 . 1 1 60 60 ASN N N 60 122.487 122.487 120.203 2.284 25461 2536 1 7 . 1 1 60 60 ASN HA H 60 4.737 4.737 5.412 -0.675 25461 2537 1 7 . 1 1 60 60 ASN C C 60 175.521 175.521 174.708 0.813 25461 2538 1 7 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.901 0.474 25461 2539 1 7 . 1 1 60 60 ASN CB C 60 39.098 39.098 41.065 -1.967 25461 2540 1 7 . 1 1 60 60 ASN H H 60 8.593 8.593 8.268 0.325 25461 2541 1 7 . 1 1 61 61 GLY N N 61 109.681 109.681 106.845 2.836 25461 2542 1 7 . 1 1 61 61 GLY C C 61 174.361 174.361 174.032 0.329 25461 2543 1 7 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.721 -0.222 25461 2544 1 7 . 1 1 61 61 GLY H H 61 8.407 8.407 8.556 -0.149 25461 2545 1 7 . 1 1 62 62 GLY N N 62 108.197 108.197 107.896 0.301 25461 2546 1 7 . 1 1 62 62 GLY C C 62 173.866 173.866 172.364 1.502 25461 2547 1 7 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.788 0.324 25461 2548 1 7 . 1 1 62 62 GLY H H 62 8.209 8.209 7.298 0.911 25461 2549 1 7 . 1 1 63 63 HIS N N 63 121.370 121.370 121.540 -0.170 25461 2550 1 7 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.053 -0.254 25461 2551 1 7 . 1 1 63 63 HIS C C 63 173.562 173.562 173.402 0.160 25461 2552 1 7 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.381 1.465 25461 2553 1 7 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.025 -1.853 25461 2554 1 7 . 1 1 63 63 HIS H H 63 8.587 8.587 8.124 0.463 25461 2555 1 7 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.593 -0.132 25461 2556 1 7 . 1 1 64 64 PRO C C 64 176.406 176.406 176.059 0.347 25461 2557 1 7 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.795 0.293 25461 2558 1 7 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.338 -0.335 25461 2559 1 7 . 1 1 65 65 VAL N N 65 122.214 122.214 117.394 4.820 25461 2560 1 7 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.692 -0.338 25461 2561 1 7 . 1 1 65 65 VAL C C 65 176.217 176.217 175.462 0.755 25461 2562 1 7 . 1 1 65 65 VAL CA C 65 62.233 62.233 60.139 2.094 25461 2563 1 7 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.908 -0.554 25461 2564 1 7 . 1 1 65 65 VAL H H 65 8.436 8.436 8.112 0.324 25461 2565 1 7 . 1 1 66 66 THR N N 66 118.215 118.215 115.395 2.820 25461 2566 1 7 . 1 1 66 66 THR HA H 66 4.844 4.844 4.748 0.096 25461 2567 1 7 . 1 1 66 66 THR C C 66 175.632 175.632 175.325 0.307 25461 2568 1 7 . 1 1 66 66 THR CA C 66 59.250 59.250 60.075 -0.825 25461 2569 1 7 . 1 1 66 66 THR CB C 66 71.632 71.632 70.694 0.939 25461 2570 1 7 . 1 1 66 66 THR H H 66 7.765 7.765 8.273 -0.508 25461 2571 1 7 . 1 1 67 67 THR N N 67 116.809 116.809 116.903 -0.094 25461 2572 1 7 . 1 1 67 67 THR HA H 67 3.846 3.846 3.994 -0.148 25461 2573 1 7 . 1 1 67 67 THR C C 67 176.323 176.323 176.407 -0.084 25461 2574 1 7 . 1 1 67 67 THR CA C 67 66.206 66.206 66.117 0.089 25461 2575 1 7 . 1 1 67 67 THR CB C 67 68.417 68.417 68.507 -0.090 25461 2576 1 7 . 1 1 67 67 THR H H 67 8.901 8.901 8.484 0.417 25461 2577 1 7 . 1 1 68 68 GLN N N 68 120.255 120.255 119.835 0.420 25461 2578 1 7 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.268 -0.185 25461 2579 1 7 . 1 1 68 68 GLN C C 68 179.056 179.056 178.071 0.985 25461 2580 1 7 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.892 0.762 25461 2581 1 7 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.738 0.193 25461 2582 1 7 . 1 1 68 68 GLN H H 68 8.290 8.290 8.925 -0.635 25461 2583 1 7 . 1 1 69 69 MET N N 69 120.434 120.434 119.289 1.145 25461 2584 1 7 . 1 1 69 69 MET HA H 69 3.918 3.918 4.174 -0.256 25461 2585 1 7 . 1 1 69 69 MET C C 69 177.390 177.390 178.159 -0.769 25461 2586 1 7 . 1 1 69 69 MET CA C 69 59.757 59.757 59.136 0.621 25461 2587 1 7 . 1 1 69 69 MET CB C 69 35.178 35.178 32.220 2.958 25461 2588 1 7 . 1 1 69 69 MET H H 69 7.718 7.718 7.501 0.217 25461 2589 1 7 . 1 1 70 70 VAL N N 70 118.137 118.137 119.047 -0.910 25461 2590 1 7 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.571 -0.237 25461 2591 1 7 . 1 1 70 70 VAL C C 70 177.985 177.985 177.969 0.016 25461 2592 1 7 . 1 1 70 70 VAL CA C 70 66.374 66.374 67.039 -0.665 25461 2593 1 7 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.172 0.517 25461 2594 1 7 . 1 1 70 70 VAL H H 70 7.322 7.322 7.495 -0.173 25461 2595 1 7 . 1 1 71 71 GLU N N 71 118.717 118.717 117.968 0.749 25461 2596 1 7 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.936 -0.004 25461 2597 1 7 . 1 1 71 71 GLU C C 71 178.984 178.984 179.156 -0.172 25461 2598 1 7 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.427 -0.099 25461 2599 1 7 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.894 0.688 25461 2600 1 7 . 1 1 71 71 GLU H H 71 8.446 8.446 8.314 0.132 25461 2601 1 7 . 1 1 72 72 THR N N 72 116.413 116.413 117.423 -1.010 25461 2602 1 7 . 1 1 72 72 THR HA H 72 3.885 3.885 3.961 -0.076 25461 2603 1 7 . 1 1 72 72 THR C C 72 176.837 176.837 176.756 0.081 25461 2604 1 7 . 1 1 72 72 THR CA C 72 66.924 66.924 66.491 0.433 25461 2605 1 7 . 1 1 72 72 THR CB C 72 68.594 68.594 68.568 0.026 25461 2606 1 7 . 1 1 72 72 THR H H 72 8.055 8.055 8.127 -0.072 25461 2607 1 7 . 1 1 73 73 VAL N N 73 119.440 119.440 121.405 -1.965 25461 2608 1 7 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.528 -0.167 25461 2609 1 7 . 1 1 73 73 VAL C C 73 177.119 177.119 177.755 -0.636 25461 2610 1 7 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.152 -0.679 25461 2611 1 7 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.073 -0.160 25461 2612 1 7 . 1 1 73 73 VAL H H 73 7.521 7.521 7.820 -0.299 25461 2613 1 7 . 1 1 74 74 GLN N N 74 120.105 120.105 119.139 0.966 25461 2614 1 7 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.945 -0.304 25461 2615 1 7 . 1 1 74 74 GLN C C 74 177.761 177.761 178.247 -0.486 25461 2616 1 7 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.644 0.080 25461 2617 1 7 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.256 1.041 25461 2618 1 7 . 1 1 74 74 GLN H H 74 8.884 8.884 8.168 0.716 25461 2619 1 7 . 1 1 75 75 ASN N N 75 113.460 113.460 117.715 -4.255 25461 2620 1 7 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.416 -0.054 25461 2621 1 7 . 1 1 75 75 ASN C C 75 176.122 176.122 177.580 -1.458 25461 2622 1 7 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.879 -0.388 25461 2623 1 7 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.632 0.340 25461 2624 1 7 . 1 1 75 75 ASN H H 75 7.472 7.472 8.206 -0.734 25461 2625 1 7 . 1 1 76 76 LEU N N 76 118.225 118.225 118.041 0.184 25461 2626 1 7 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.297 0.010 25461 2627 1 7 . 1 1 76 76 LEU C C 76 175.358 175.358 176.957 -1.599 25461 2628 1 7 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.454 -1.076 25461 2629 1 7 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.542 0.894 25461 2630 1 7 . 1 1 76 76 LEU H H 76 7.130 7.130 7.631 -0.501 25461 2631 1 7 . 1 1 77 77 ALA N N 77 122.753 122.753 119.019 3.734 25461 2632 1 7 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.331 0.115 25461 2633 1 7 . 1 1 77 77 ALA C C 77 173.976 173.976 175.155 -1.179 25461 2634 1 7 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.777 0.645 25461 2635 1 7 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.308 -0.925 25461 2636 1 7 . 1 1 77 77 ALA H H 77 7.784 7.784 7.917 -0.133 25461 2637 1 7 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.432 -0.046 25461 2638 1 7 . 1 1 78 78 PRO C C 78 177.311 177.311 176.383 0.928 25461 2639 1 7 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.395 1.203 25461 2640 1 7 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.662 0.479 25461 2641 1 7 . 1 1 79 79 ASN N N 79 111.571 111.571 116.403 -4.832 25461 2642 1 7 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.703 0.051 25461 2643 1 7 . 1 1 79 79 ASN C C 79 175.765 175.765 174.865 0.900 25461 2644 1 7 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.111 0.051 25461 2645 1 7 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.247 -1.365 25461 2646 1 7 . 1 1 79 79 ASN H H 79 7.868 7.868 8.424 -0.556 25461 2647 1 7 . 1 1 80 80 LEU N N 80 119.219 119.219 120.338 -1.119 25461 2648 1 7 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.463 -0.095 25461 2649 1 7 . 1 1 80 80 LEU C C 80 175.715 175.715 175.351 0.364 25461 2650 1 7 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.637 0.212 25461 2651 1 7 . 1 1 80 80 LEU CB C 80 43.172 43.172 44.242 -1.070 25461 2652 1 7 . 1 1 80 80 LEU H H 80 7.176 7.176 7.178 -0.002 25461 2653 1 7 . 1 1 81 81 HIS N N 81 123.894 123.894 121.717 2.177 25461 2654 1 7 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.757 -0.015 25461 2655 1 7 . 1 1 81 81 HIS C C 81 176.185 176.185 174.611 1.574 25461 2656 1 7 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.464 0.028 25461 2657 1 7 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.744 0.432 25461 2658 1 7 . 1 1 81 81 HIS H H 81 9.023 9.023 8.681 0.342 25461 2659 1 7 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.309 -0.296 25461 2660 1 7 . 1 1 82 82 PRO C C 82 178.774 178.774 178.286 0.488 25461 2661 1 7 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.224 1.171 25461 2662 1 7 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.174 -0.139 25461 2663 1 7 . 1 1 83 83 GLU N N 83 120.128 120.128 119.053 1.075 25461 2664 1 7 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.280 0.130 25461 2665 1 7 . 1 1 83 83 GLU C C 83 181.651 181.651 178.682 2.969 25461 2666 1 7 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.936 0.293 25461 2667 1 7 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.549 -0.253 25461 2668 1 7 . 1 1 83 83 GLU H H 83 11.938 11.938 8.419 3.519 25461 2669 1 7 . 1 1 84 84 GLN N N 84 117.052 117.052 119.472 -2.420 25461 2670 1 7 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.931 0.050 25461 2671 1 7 . 1 1 84 84 GLN C C 84 179.958 179.958 178.834 1.124 25461 2672 1 7 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.625 0.325 25461 2673 1 7 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.470 2.200 25461 2674 1 7 . 1 1 84 84 GLN H H 84 7.467 7.467 7.661 -0.194 25461 2675 1 7 . 1 1 85 85 ILE N N 85 120.448 120.448 120.666 -0.218 25461 2676 1 7 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.637 -0.304 25461 2677 1 7 . 1 1 85 85 ILE C C 85 176.960 176.960 177.200 -0.240 25461 2678 1 7 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.315 1.213 25461 2679 1 7 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.333 0.479 25461 2680 1 7 . 1 1 85 85 ILE H H 85 7.750 7.750 7.597 0.153 25461 2681 1 7 . 1 1 86 86 ARG N N 86 119.593 119.593 119.795 -0.202 25461 2682 1 7 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.861 -0.138 25461 2683 1 7 . 1 1 86 86 ARG C C 86 177.115 177.115 178.279 -1.164 25461 2684 1 7 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.567 1.252 25461 2685 1 7 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.643 0.583 25461 2686 1 7 . 1 1 86 86 ARG H H 86 8.868 8.868 7.738 1.130 25461 2687 1 7 . 1 1 87 87 TYR N N 87 116.869 116.869 120.338 -3.469 25461 2688 1 7 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.577 -0.077 25461 2689 1 7 . 1 1 87 87 TYR C C 87 177.597 177.597 178.220 -0.623 25461 2690 1 7 . 1 1 87 87 TYR CA C 87 60.123 60.123 61.039 -0.916 25461 2691 1 7 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.252 0.183 25461 2692 1 7 . 1 1 87 87 TYR H H 87 7.684 7.684 7.850 -0.166 25461 2693 1 7 . 1 1 88 88 SER N N 88 110.655 110.655 116.471 -5.816 25461 2694 1 7 . 1 1 88 88 SER HA H 88 4.155 4.155 3.883 0.272 25461 2695 1 7 . 1 1 88 88 SER C C 88 177.666 177.666 176.434 1.232 25461 2696 1 7 . 1 1 88 88 SER CA C 88 61.207 61.207 63.079 -1.872 25461 2697 1 7 . 1 1 88 88 SER CB C 88 62.880 62.880 62.941 -0.061 25461 2698 1 7 . 1 1 88 88 SER H H 88 7.510 7.510 8.371 -0.861 25461 2699 1 7 . 1 1 89 89 LEU N N 89 119.356 119.356 122.317 -2.961 25461 2700 1 7 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.088 0.105 25461 2701 1 7 . 1 1 89 89 LEU C C 89 180.057 180.057 179.763 0.294 25461 2702 1 7 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.835 -0.458 25461 2703 1 7 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.610 1.735 25461 2704 1 7 . 1 1 89 89 LEU H H 89 8.522 8.522 8.755 -0.233 25461 2705 1 7 . 1 1 90 90 GLU N N 90 120.190 120.190 119.283 0.907 25461 2706 1 7 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.248 -0.132 25461 2707 1 7 . 1 1 90 90 GLU C C 90 177.812 177.812 179.324 -1.512 25461 2708 1 7 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.400 -0.358 25461 2709 1 7 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.343 0.649 25461 2710 1 7 . 1 1 90 90 GLU H H 90 8.511 8.511 8.009 0.502 25461 2711 1 7 . 1 1 91 91 ASN N N 91 115.736 115.736 118.095 -2.359 25461 2712 1 7 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.486 0.200 25461 2713 1 7 . 1 1 91 91 ASN C C 91 177.109 177.109 177.467 -0.358 25461 2714 1 7 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.669 -0.980 25461 2715 1 7 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.850 1.636 25461 2716 1 7 . 1 1 91 91 ASN H H 91 7.465 7.465 7.837 -0.372 25461 2717 1 7 . 1 1 92 92 THR N N 92 110.330 110.330 110.523 -0.193 25461 2718 1 7 . 1 1 92 92 THR HA H 92 4.142 4.142 4.104 0.038 25461 2719 1 7 . 1 1 92 92 THR C C 92 176.599 176.599 176.286 0.313 25461 2720 1 7 . 1 1 92 92 THR CA C 92 62.581 62.581 65.090 -2.509 25461 2721 1 7 . 1 1 92 92 THR CB C 92 70.198 70.198 69.566 0.632 25461 2722 1 7 . 1 1 92 92 THR H H 92 9.251 9.251 8.436 0.815 25461 2723 1 7 . 1 1 93 93 GLY N N 93 112.211 112.211 110.923 1.288 25461 2724 1 7 . 1 1 93 93 GLY C C 93 174.132 174.132 173.311 0.821 25461 2725 1 7 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.739 0.932 25461 2726 1 7 . 1 1 93 93 GLY H H 93 8.682 8.682 8.180 0.502 25461 2727 1 7 . 1 1 94 94 SER N N 94 111.808 111.808 114.018 -2.210 25461 2728 1 7 . 1 1 94 94 SER HA H 94 4.784 4.784 4.708 0.076 25461 2729 1 7 . 1 1 94 94 SER C C 94 173.862 173.862 175.058 -1.196 25461 2730 1 7 . 1 1 94 94 SER CA C 94 56.221 56.221 55.685 0.536 25461 2731 1 7 . 1 1 94 94 SER CB C 94 64.454 64.454 64.493 -0.039 25461 2732 1 7 . 1 1 94 94 SER H H 94 8.058 8.058 7.232 0.826 25461 2733 1 7 . 1 1 95 95 VAL N N 95 129.818 129.818 126.562 3.256 25461 2734 1 7 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.696 -0.339 25461 2735 1 7 . 1 1 95 95 VAL C C 95 176.909 176.909 177.345 -0.436 25461 2736 1 7 . 1 1 95 95 VAL CA C 95 66.806 66.806 66.447 0.359 25461 2737 1 7 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.946 0.373 25461 2738 1 7 . 1 1 95 95 VAL H H 95 8.983 8.983 8.905 0.078 25461 2739 1 7 . 1 1 96 96 GLU N N 96 117.745 117.745 118.961 -1.216 25461 2740 1 7 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.876 -0.052 25461 2741 1 7 . 1 1 96 96 GLU C C 96 179.126 179.126 178.441 0.685 25461 2742 1 7 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.927 0.898 25461 2743 1 7 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.748 0.261 25461 2744 1 7 . 1 1 96 96 GLU H H 96 8.673 8.673 8.067 0.606 25461 2745 1 7 . 1 1 97 97 GLU N N 97 120.049 120.049 119.569 0.480 25461 2746 1 7 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.148 -0.002 25461 2747 1 7 . 1 1 97 97 GLU C C 97 178.947 178.947 178.813 0.134 25461 2748 1 7 . 1 1 97 97 GLU CA C 97 58.941 58.941 58.855 0.086 25461 2749 1 7 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.883 0.861 25461 2750 1 7 . 1 1 97 97 GLU H H 97 8.125 8.125 8.134 -0.009 25461 2751 1 7 . 1 1 98 98 THR N N 98 118.623 118.623 117.236 1.387 25461 2752 1 7 . 1 1 98 98 THR HA H 98 3.805 3.805 4.043 -0.238 25461 2753 1 7 . 1 1 98 98 THR C C 98 175.676 175.676 176.731 -1.055 25461 2754 1 7 . 1 1 98 98 THR CA C 98 70.162 70.162 67.116 3.046 25461 2755 1 7 . 1 1 98 98 THR CB C 98 69.317 69.317 68.847 0.470 25461 2756 1 7 . 1 1 98 98 THR H H 98 8.038 8.038 7.527 0.511 25461 2757 1 7 . 1 1 99 99 VAL N N 99 120.683 120.683 121.226 -0.543 25461 2758 1 7 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.836 -0.295 25461 2759 1 7 . 1 1 99 99 VAL C C 99 177.456 177.456 177.634 -0.178 25461 2760 1 7 . 1 1 99 99 VAL CA C 99 67.924 67.924 67.004 0.921 25461 2761 1 7 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.251 0.315 25461 2762 1 7 . 1 1 99 99 VAL H H 99 8.724 8.724 8.292 0.432 25461 2763 1 7 . 1 1 100 100 GLU N N 100 120.914 120.914 119.801 1.113 25461 2764 1 7 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.119 -0.105 25461 2765 1 7 . 1 1 100 100 GLU C C 100 179.857 179.857 179.475 0.382 25461 2766 1 7 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.836 0.385 25461 2767 1 7 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.423 -0.215 25461 2768 1 7 . 1 1 100 100 GLU H H 100 8.324 8.324 8.299 0.025 25461 2769 1 7 . 1 1 101 101 ARG N N 101 118.451 118.451 117.742 0.709 25461 2770 1 7 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.186 -0.313 25461 2771 1 7 . 1 1 101 101 ARG C C 101 178.078 178.078 178.277 -0.199 25461 2772 1 7 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.965 1.013 25461 2773 1 7 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.838 0.108 25461 2774 1 7 . 1 1 101 101 ARG H H 101 8.197 8.197 8.509 -0.312 25461 2775 1 7 . 1 1 102 102 TYR N N 102 119.888 119.888 123.702 -3.814 25461 2776 1 7 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.420 0.055 25461 2777 1 7 . 1 1 102 102 TYR C C 102 180.056 180.056 177.916 2.140 25461 2778 1 7 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.358 0.168 25461 2779 1 7 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.427 -0.911 25461 2780 1 7 . 1 1 102 102 TYR H H 102 8.180 8.180 8.186 -0.006 25461 2781 1 7 . 1 1 103 103 LEU N N 103 122.091 122.091 118.415 3.676 25461 2782 1 7 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.709 0.122 25461 2783 1 7 . 1 1 103 103 LEU C C 103 178.973 178.973 177.785 1.188 25461 2784 1 7 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.272 0.153 25461 2785 1 7 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.222 0.400 25461 2786 1 7 . 1 1 103 103 LEU H H 103 9.050 9.050 8.301 0.749 25461 2787 1 7 . 1 1 104 104 ARG N N 104 116.388 116.388 119.252 -2.864 25461 2788 1 7 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.245 0.131 25461 2789 1 7 . 1 1 104 104 ARG C C 104 176.877 176.877 177.257 -0.380 25461 2790 1 7 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.110 0.462 25461 2791 1 7 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.481 -0.003 25461 2792 1 7 . 1 1 104 104 ARG H H 104 7.888 7.888 7.393 0.495 25461 2793 1 7 . 1 1 105 105 GLY N N 105 107.432 107.432 110.017 -2.585 25461 2794 1 7 . 1 1 105 105 GLY C C 105 174.796 174.796 174.691 0.105 25461 2795 1 7 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.382 -0.050 25461 2796 1 7 . 1 1 105 105 GLY H H 105 7.688 7.688 7.938 -0.250 25461 2797 1 7 . 1 1 106 106 ASP N N 106 121.505 121.505 120.639 0.866 25461 2798 1 7 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.652 -0.271 25461 2799 1 7 . 1 1 106 106 ASP C C 106 175.595 175.595 176.229 -0.634 25461 2800 1 7 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.577 0.460 25461 2801 1 7 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.563 -1.992 25461 2802 1 7 . 1 1 106 106 ASP H H 106 7.878 7.878 8.078 -0.200 25461 2803 1 7 . 1 1 107 107 GLU N N 107 119.581 119.581 118.061 1.520 25461 2804 1 7 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.486 -0.104 25461 2805 1 7 . 1 1 107 107 GLU C C 107 177.123 177.123 175.241 1.882 25461 2806 1 7 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.622 -0.147 25461 2807 1 7 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.269 0.253 25461 2808 1 7 . 1 1 107 107 GLU H H 107 8.394 8.394 8.344 0.050 25461 2809 1 7 . 1 1 108 108 PHE N N 108 126.975 126.975 123.513 3.462 25461 2810 1 7 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.873 -0.251 25461 2811 1 7 . 1 1 108 108 PHE C C 108 176.186 176.186 175.409 0.777 25461 2812 1 7 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.090 0.140 25461 2813 1 7 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.498 -0.254 25461 2814 1 7 . 1 1 108 108 PHE H H 108 9.373 9.373 8.768 0.605 25461 2815 1 7 . 1 1 109 109 SER N N 109 121.198 121.198 118.921 2.277 25461 2816 1 7 . 1 1 109 109 SER HA H 109 4.582 4.582 4.745 -0.163 25461 2817 1 7 . 1 1 109 109 SER C C 109 175.060 175.060 172.967 2.093 25461 2818 1 7 . 1 1 109 109 SER CA C 109 58.928 58.928 57.618 1.310 25461 2819 1 7 . 1 1 109 109 SER CB C 109 64.213 64.213 64.603 -0.390 25461 2820 1 7 . 1 1 109 109 SER H H 109 8.694 8.694 8.598 0.096 25461 2821 1 7 . 1 1 110 110 PHE N N 110 121.734 121.734 119.359 2.375 25461 2822 1 7 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.486 -0.299 25461 2823 1 7 . 1 1 110 110 PHE C C 110 172.930 172.930 173.773 -0.843 25461 2824 1 7 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.119 2.630 25461 2825 1 7 . 1 1 110 110 PHE CB C 110 38.497 38.497 38.979 -0.482 25461 2826 1 7 . 1 1 110 110 PHE H H 110 8.965 8.965 8.281 0.684 25461 2827 1 7 . 1 1 111 111 PRO HA H 111 3.349 3.349 4.092 -0.743 25461 2828 1 7 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.426 -0.354 25461 2829 1 7 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.224 0.094 25461 2830 1 7 . 1 1 112 112 PRO C C 112 177.703 177.703 178.043 -0.340 25461 2831 1 7 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.675 -0.086 25461 2832 1 7 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.877 -0.119 25461 2833 1 7 . 1 1 113 113 GLY N N 113 110.960 110.960 109.518 1.442 25461 2834 1 7 . 1 1 113 113 GLY C C 113 174.074 174.074 175.322 -1.248 25461 2835 1 7 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.547 -0.387 25461 2836 1 7 . 1 1 113 113 GLY H H 113 8.682 8.682 8.739 -0.057 25461 2837 1 7 . 1 1 114 114 PHE N N 114 120.992 120.992 121.559 -0.567 25461 2838 1 7 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.414 -0.104 25461 2839 1 7 . 1 1 114 114 PHE C C 114 174.567 174.567 176.443 -1.876 25461 2840 1 7 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.256 -0.932 25461 2841 1 7 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.787 0.362 25461 2842 1 7 . 1 1 114 114 PHE H H 114 7.771 7.771 7.833 -0.062 25461 2843 1 8 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.178 -0.821 25461 2844 1 8 . 1 1 42 42 ALA C C 42 177.825 177.825 176.488 1.337 25461 2845 1 8 . 1 1 42 42 ALA CA C 42 52.674 52.674 51.521 1.153 25461 2846 1 8 . 1 1 42 42 ALA CB C 42 19.452 19.452 21.017 -1.565 25461 2847 1 8 . 1 1 43 43 MET N N 43 119.667 119.667 119.744 -0.077 25461 2848 1 8 . 1 1 43 43 MET HA H 43 4.549 4.549 5.071 -0.522 25461 2849 1 8 . 1 1 43 43 MET C C 43 176.478 176.478 175.780 0.698 25461 2850 1 8 . 1 1 43 43 MET CA C 43 55.344 55.344 54.811 0.533 25461 2851 1 8 . 1 1 43 43 MET CB C 43 33.129 33.129 35.014 -1.885 25461 2852 1 8 . 1 1 43 43 MET H H 43 8.507 8.507 9.083 -0.576 25461 2853 1 8 . 1 1 44 44 GLY N N 44 110.244 110.244 110.906 -0.662 25461 2854 1 8 . 1 1 44 44 GLY C C 44 172.009 172.009 172.687 -0.678 25461 2855 1 8 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.672 -0.030 25461 2856 1 8 . 1 1 44 44 GLY H H 44 8.251 8.251 8.730 -0.479 25461 2857 1 8 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.699 -0.266 25461 2858 1 8 . 1 1 45 45 PRO C C 45 177.510 177.510 176.516 0.994 25461 2859 1 8 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.544 0.861 25461 2860 1 8 . 1 1 45 45 PRO CB C 45 32.106 32.106 33.193 -1.087 25461 2861 1 8 . 1 1 46 46 GLN N N 46 120.607 120.607 119.747 0.860 25461 2862 1 8 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.411 -0.065 25461 2863 1 8 . 1 1 46 46 GLN C C 46 176.687 176.687 175.719 0.968 25461 2864 1 8 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.053 1.003 25461 2865 1 8 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.627 -0.204 25461 2866 1 8 . 1 1 46 46 GLN H H 46 8.628 8.628 8.260 0.368 25461 2867 1 8 . 1 1 47 47 GLY N N 47 110.011 110.011 109.766 0.245 25461 2868 1 8 . 1 1 47 47 GLY C C 47 174.308 174.308 174.480 -0.172 25461 2869 1 8 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.363 0.071 25461 2870 1 8 . 1 1 47 47 GLY H H 47 8.411 8.411 8.731 -0.320 25461 2871 1 8 . 1 1 48 48 SER N N 48 115.646 115.646 113.704 1.942 25461 2872 1 8 . 1 1 48 48 SER HA H 48 4.542 4.542 4.588 -0.046 25461 2873 1 8 . 1 1 48 48 SER C C 48 175.288 175.288 173.342 1.946 25461 2874 1 8 . 1 1 48 48 SER CA C 48 58.437 58.437 57.629 0.808 25461 2875 1 8 . 1 1 48 48 SER CB C 48 63.965 63.965 64.233 -0.268 25461 2876 1 8 . 1 1 48 48 SER H H 48 8.284 8.284 7.769 0.515 25461 2877 1 8 . 1 1 49 49 THR N N 49 115.928 115.928 116.164 -0.236 25461 2878 1 8 . 1 1 49 49 THR HA H 49 4.343 4.343 4.216 0.127 25461 2879 1 8 . 1 1 49 49 THR C C 49 174.948 174.948 173.847 1.101 25461 2880 1 8 . 1 1 49 49 THR CA C 49 62.294 62.294 63.283 -0.989 25461 2881 1 8 . 1 1 49 49 THR CB C 49 69.614 69.614 68.957 0.657 25461 2882 1 8 . 1 1 49 49 THR H H 49 8.282 8.282 8.245 0.037 25461 2883 1 8 . 1 1 50 50 GLN N N 50 122.155 122.155 127.440 -5.285 25461 2884 1 8 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.443 -0.056 25461 2885 1 8 . 1 1 50 50 GLN C C 50 176.071 176.071 175.121 0.950 25461 2886 1 8 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.352 1.038 25461 2887 1 8 . 1 1 50 50 GLN CB C 50 29.226 29.226 30.496 -1.270 25461 2888 1 8 . 1 1 50 50 GLN H H 50 8.401 8.401 8.347 0.054 25461 2889 1 8 . 1 1 51 51 ASN N N 51 119.604 119.604 122.353 -2.749 25461 2890 1 8 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.759 -0.121 25461 2891 1 8 . 1 1 51 51 ASN C C 51 175.275 175.275 174.732 0.543 25461 2892 1 8 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.504 1.146 25461 2893 1 8 . 1 1 51 51 ASN CB C 51 38.857 38.857 37.161 1.696 25461 2894 1 8 . 1 1 51 51 ASN H H 51 8.395 8.395 8.788 -0.393 25461 2895 1 8 . 1 1 52 52 ALA N N 52 124.054 124.054 123.589 0.465 25461 2896 1 8 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.283 -0.021 25461 2897 1 8 . 1 1 52 52 ALA C C 52 177.915 177.915 176.893 1.022 25461 2898 1 8 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.899 0.192 25461 2899 1 8 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.865 -0.691 25461 2900 1 8 . 1 1 52 52 ALA H H 52 8.227 8.227 7.740 0.487 25461 2901 1 8 . 1 1 53 53 LEU N N 53 120.325 120.325 114.288 6.037 25461 2902 1 8 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.689 -0.397 25461 2903 1 8 . 1 1 53 53 LEU C C 53 177.531 177.531 176.422 1.109 25461 2904 1 8 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.870 0.573 25461 2905 1 8 . 1 1 53 53 LEU CB C 53 42.207 42.207 40.991 1.216 25461 2906 1 8 . 1 1 53 53 LEU H H 53 8.097 8.097 8.482 -0.385 25461 2907 1 8 . 1 1 54 54 ARG N N 54 121.409 121.409 122.083 -0.674 25461 2908 1 8 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.543 -0.210 25461 2909 1 8 . 1 1 54 54 ARG C C 54 176.332 176.332 175.704 0.628 25461 2910 1 8 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.765 0.422 25461 2911 1 8 . 1 1 54 54 ARG CB C 54 30.736 30.736 31.154 -0.418 25461 2912 1 8 . 1 1 54 54 ARG H H 54 8.155 8.155 8.344 -0.189 25461 2913 1 8 . 1 1 55 55 ARG N N 55 122.380 122.380 120.181 2.199 25461 2914 1 8 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.111 0.307 25461 2915 1 8 . 1 1 55 55 ARG C C 55 176.563 176.563 175.078 1.485 25461 2916 1 8 . 1 1 55 55 ARG CA C 55 56.289 56.289 57.402 -1.113 25461 2917 1 8 . 1 1 55 55 ARG CB C 55 30.838 30.838 28.959 1.879 25461 2918 1 8 . 1 1 55 55 ARG H H 55 8.389 8.389 8.508 -0.119 25461 2919 1 8 . 1 1 56 56 THR N N 56 114.693 114.693 109.197 5.496 25461 2920 1 8 . 1 1 56 56 THR HA H 56 4.372 4.372 4.473 -0.101 25461 2921 1 8 . 1 1 56 56 THR C C 56 175.062 175.062 173.930 1.132 25461 2922 1 8 . 1 1 56 56 THR CA C 56 61.926 61.926 61.271 0.655 25461 2923 1 8 . 1 1 56 56 THR CB C 56 70.016 70.016 69.370 0.646 25461 2924 1 8 . 1 1 56 56 THR H H 56 8.204 8.204 7.985 0.219 25461 2925 1 8 . 1 1 57 57 GLY N N 57 111.042 111.042 109.422 1.620 25461 2926 1 8 . 1 1 57 57 GLY C C 57 173.868 173.868 174.737 -0.869 25461 2927 1 8 . 1 1 57 57 GLY CA C 57 45.291 45.291 43.922 1.369 25461 2928 1 8 . 1 1 57 57 GLY H H 57 8.424 8.424 7.714 0.710 25461 2929 1 8 . 1 1 58 58 ARG N N 58 120.824 120.824 119.945 0.879 25461 2930 1 8 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.370 0.016 25461 2931 1 8 . 1 1 58 58 ARG C C 58 176.522 176.522 176.785 -0.263 25461 2932 1 8 . 1 1 58 58 ARG CA C 58 56.111 56.111 56.086 0.025 25461 2933 1 8 . 1 1 58 58 ARG CB C 58 31.074 31.074 29.763 1.311 25461 2934 1 8 . 1 1 58 58 ARG H H 58 8.232 8.232 8.743 -0.511 25461 2935 1 8 . 1 1 59 59 VAL N N 59 121.437 121.437 117.938 3.499 25461 2936 1 8 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.251 -0.131 25461 2937 1 8 . 1 1 59 59 VAL C C 59 176.022 176.022 174.786 1.236 25461 2938 1 8 . 1 1 59 59 VAL CA C 59 62.413 62.413 61.425 0.988 25461 2939 1 8 . 1 1 59 59 VAL CB C 59 32.815 32.815 29.204 3.611 25461 2940 1 8 . 1 1 59 59 VAL H H 59 8.307 8.307 7.621 0.686 25461 2941 1 8 . 1 1 60 60 ASN N N 60 122.487 122.487 124.209 -1.722 25461 2942 1 8 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.757 -0.020 25461 2943 1 8 . 1 1 60 60 ASN C C 60 175.521 175.521 174.749 0.772 25461 2944 1 8 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.799 0.576 25461 2945 1 8 . 1 1 60 60 ASN CB C 60 39.098 39.098 39.939 -0.841 25461 2946 1 8 . 1 1 60 60 ASN H H 60 8.593 8.593 8.083 0.510 25461 2947 1 8 . 1 1 61 61 GLY N N 61 109.681 109.681 110.136 -0.455 25461 2948 1 8 . 1 1 61 61 GLY C C 61 174.361 174.361 172.821 1.540 25461 2949 1 8 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.607 0.892 25461 2950 1 8 . 1 1 61 61 GLY H H 61 8.407 8.407 8.311 0.096 25461 2951 1 8 . 1 1 62 62 GLY N N 62 108.197 108.197 107.788 0.409 25461 2952 1 8 . 1 1 62 62 GLY C C 62 173.866 173.866 172.473 1.393 25461 2953 1 8 . 1 1 62 62 GLY CA C 62 45.112 45.112 45.225 -0.113 25461 2954 1 8 . 1 1 62 62 GLY H H 62 8.209 8.209 7.221 0.988 25461 2955 1 8 . 1 1 63 63 HIS N N 63 121.370 121.370 120.519 0.851 25461 2956 1 8 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.011 -0.212 25461 2957 1 8 . 1 1 63 63 HIS C C 63 173.562 173.562 173.909 -0.347 25461 2958 1 8 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.836 1.010 25461 2959 1 8 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.990 -2.818 25461 2960 1 8 . 1 1 63 63 HIS H H 63 8.587 8.587 8.125 0.462 25461 2961 1 8 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.598 -0.137 25461 2962 1 8 . 1 1 64 64 PRO C C 64 176.406 176.406 176.121 0.285 25461 2963 1 8 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.092 -0.004 25461 2964 1 8 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.943 0.060 25461 2965 1 8 . 1 1 65 65 VAL N N 65 122.214 122.214 119.867 2.347 25461 2966 1 8 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.741 -0.387 25461 2967 1 8 . 1 1 65 65 VAL C C 65 176.217 176.217 175.760 0.457 25461 2968 1 8 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.824 2.409 25461 2969 1 8 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.588 -0.234 25461 2970 1 8 . 1 1 65 65 VAL H H 65 8.436 8.436 8.353 0.083 25461 2971 1 8 . 1 1 66 66 THR N N 66 118.215 118.215 113.010 5.205 25461 2972 1 8 . 1 1 66 66 THR HA H 66 4.844 4.844 4.680 0.164 25461 2973 1 8 . 1 1 66 66 THR C C 66 175.632 175.632 175.063 0.569 25461 2974 1 8 . 1 1 66 66 THR CA C 66 59.250 59.250 59.874 -0.624 25461 2975 1 8 . 1 1 66 66 THR CB C 66 71.632 71.632 71.368 0.264 25461 2976 1 8 . 1 1 66 66 THR H H 66 7.765 7.765 8.251 -0.486 25461 2977 1 8 . 1 1 67 67 THR N N 67 116.809 116.809 116.718 0.091 25461 2978 1 8 . 1 1 67 67 THR HA H 67 3.846 3.846 3.937 -0.091 25461 2979 1 8 . 1 1 67 67 THR C C 67 176.323 176.323 176.258 0.065 25461 2980 1 8 . 1 1 67 67 THR CA C 67 66.206 66.206 66.930 -0.724 25461 2981 1 8 . 1 1 67 67 THR CB C 67 68.417 68.417 68.553 -0.136 25461 2982 1 8 . 1 1 67 67 THR H H 67 8.901 8.901 8.583 0.318 25461 2983 1 8 . 1 1 68 68 GLN N N 68 120.255 120.255 119.976 0.279 25461 2984 1 8 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.029 0.054 25461 2985 1 8 . 1 1 68 68 GLN C C 68 179.056 179.056 178.108 0.948 25461 2986 1 8 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.725 0.929 25461 2987 1 8 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.773 0.158 25461 2988 1 8 . 1 1 68 68 GLN H H 68 8.290 8.290 8.933 -0.643 25461 2989 1 8 . 1 1 69 69 MET N N 69 120.434 120.434 119.632 0.802 25461 2990 1 8 . 1 1 69 69 MET HA H 69 3.918 3.918 4.151 -0.233 25461 2991 1 8 . 1 1 69 69 MET C C 69 177.390 177.390 178.065 -0.675 25461 2992 1 8 . 1 1 69 69 MET CA C 69 59.757 59.757 59.129 0.628 25461 2993 1 8 . 1 1 69 69 MET CB C 69 35.178 35.178 32.266 2.912 25461 2994 1 8 . 1 1 69 69 MET H H 69 7.718 7.718 7.489 0.229 25461 2995 1 8 . 1 1 70 70 VAL N N 70 118.137 118.137 118.703 -0.566 25461 2996 1 8 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.583 -0.249 25461 2997 1 8 . 1 1 70 70 VAL C C 70 177.985 177.985 178.356 -0.371 25461 2998 1 8 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.368 0.006 25461 2999 1 8 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.778 0.911 25461 3000 1 8 . 1 1 70 70 VAL H H 70 7.322 7.322 7.522 -0.200 25461 3001 1 8 . 1 1 71 71 GLU N N 71 118.717 118.717 118.367 0.350 25461 3002 1 8 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.895 0.037 25461 3003 1 8 . 1 1 71 71 GLU C C 71 178.984 178.984 178.907 0.077 25461 3004 1 8 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.450 -0.122 25461 3005 1 8 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.767 0.815 25461 3006 1 8 . 1 1 71 71 GLU H H 71 8.446 8.446 8.198 0.248 25461 3007 1 8 . 1 1 72 72 THR N N 72 116.413 116.413 118.027 -1.614 25461 3008 1 8 . 1 1 72 72 THR HA H 72 3.885 3.885 3.901 -0.016 25461 3009 1 8 . 1 1 72 72 THR C C 72 176.837 176.837 176.615 0.222 25461 3010 1 8 . 1 1 72 72 THR CA C 72 66.924 66.924 67.107 -0.183 25461 3011 1 8 . 1 1 72 72 THR CB C 72 68.594 68.594 68.436 0.158 25461 3012 1 8 . 1 1 72 72 THR H H 72 8.055 8.055 7.753 0.302 25461 3013 1 8 . 1 1 73 73 VAL N N 73 119.440 119.440 121.541 -2.101 25461 3014 1 8 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.404 -0.043 25461 3015 1 8 . 1 1 73 73 VAL C C 73 177.119 177.119 177.558 -0.439 25461 3016 1 8 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.892 -0.419 25461 3017 1 8 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.488 -0.575 25461 3018 1 8 . 1 1 73 73 VAL H H 73 7.521 7.521 7.740 -0.219 25461 3019 1 8 . 1 1 74 74 GLN N N 74 120.105 120.105 118.867 1.238 25461 3020 1 8 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.891 -0.250 25461 3021 1 8 . 1 1 74 74 GLN C C 74 177.761 177.761 178.309 -0.548 25461 3022 1 8 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.602 0.122 25461 3023 1 8 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.201 1.096 25461 3024 1 8 . 1 1 74 74 GLN H H 74 8.884 8.884 8.409 0.475 25461 3025 1 8 . 1 1 75 75 ASN N N 75 113.460 113.460 117.493 -4.033 25461 3026 1 8 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.440 -0.078 25461 3027 1 8 . 1 1 75 75 ASN C C 75 176.122 176.122 177.549 -1.427 25461 3028 1 8 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.838 -0.347 25461 3029 1 8 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.670 0.302 25461 3030 1 8 . 1 1 75 75 ASN H H 75 7.472 7.472 8.264 -0.792 25461 3031 1 8 . 1 1 76 76 LEU N N 76 118.225 118.225 116.943 1.282 25461 3032 1 8 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.324 -0.017 25461 3033 1 8 . 1 1 76 76 LEU C C 76 175.358 175.358 176.329 -0.971 25461 3034 1 8 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.026 -0.648 25461 3035 1 8 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.505 0.931 25461 3036 1 8 . 1 1 76 76 LEU H H 76 7.130 7.130 7.487 -0.357 25461 3037 1 8 . 1 1 77 77 ALA N N 77 122.753 122.753 119.220 3.533 25461 3038 1 8 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.293 0.153 25461 3039 1 8 . 1 1 77 77 ALA C C 77 173.976 173.976 174.736 -0.760 25461 3040 1 8 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.145 0.277 25461 3041 1 8 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.549 -1.166 25461 3042 1 8 . 1 1 77 77 ALA H H 77 7.784 7.784 7.681 0.103 25461 3043 1 8 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.362 0.024 25461 3044 1 8 . 1 1 78 78 PRO C C 78 177.311 177.311 176.629 0.682 25461 3045 1 8 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.458 1.140 25461 3046 1 8 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.776 0.365 25461 3047 1 8 . 1 1 79 79 ASN N N 79 111.571 111.571 116.617 -5.046 25461 3048 1 8 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.663 0.091 25461 3049 1 8 . 1 1 79 79 ASN C C 79 175.765 175.765 174.909 0.856 25461 3050 1 8 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.324 -0.162 25461 3051 1 8 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.198 -1.316 25461 3052 1 8 . 1 1 79 79 ASN H H 79 7.868 7.868 8.115 -0.247 25461 3053 1 8 . 1 1 80 80 LEU N N 80 119.219 119.219 119.215 0.004 25461 3054 1 8 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.460 -0.092 25461 3055 1 8 . 1 1 80 80 LEU C C 80 175.715 175.715 175.057 0.658 25461 3056 1 8 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.264 0.585 25461 3057 1 8 . 1 1 80 80 LEU CB C 80 43.172 43.172 45.097 -1.925 25461 3058 1 8 . 1 1 80 80 LEU H H 80 7.176 7.176 7.138 0.038 25461 3059 1 8 . 1 1 81 81 HIS N N 81 123.894 123.894 121.417 2.477 25461 3060 1 8 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.802 -0.060 25461 3061 1 8 . 1 1 81 81 HIS C C 81 176.185 176.185 174.552 1.633 25461 3062 1 8 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.357 0.135 25461 3063 1 8 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.773 0.404 25461 3064 1 8 . 1 1 81 81 HIS H H 81 9.023 9.023 8.380 0.643 25461 3065 1 8 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.186 -0.173 25461 3066 1 8 . 1 1 82 82 PRO C C 82 178.774 178.774 178.354 0.420 25461 3067 1 8 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.376 1.019 25461 3068 1 8 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.024 0.011 25461 3069 1 8 . 1 1 83 83 GLU N N 83 120.128 120.128 119.000 1.128 25461 3070 1 8 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.209 0.201 25461 3071 1 8 . 1 1 83 83 GLU C C 83 181.651 181.651 178.798 2.853 25461 3072 1 8 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.233 -0.004 25461 3073 1 8 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.716 -0.420 25461 3074 1 8 . 1 1 83 83 GLU H H 83 11.938 11.938 8.222 3.716 25461 3075 1 8 . 1 1 84 84 GLN N N 84 117.052 117.052 119.269 -2.217 25461 3076 1 8 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.812 0.169 25461 3077 1 8 . 1 1 84 84 GLN C C 84 179.958 179.958 178.617 1.341 25461 3078 1 8 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.564 0.386 25461 3079 1 8 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.430 2.240 25461 3080 1 8 . 1 1 84 84 GLN H H 84 7.467 7.467 7.595 -0.128 25461 3081 1 8 . 1 1 85 85 ILE N N 85 120.448 120.448 120.124 0.324 25461 3082 1 8 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.662 -0.329 25461 3083 1 8 . 1 1 85 85 ILE C C 85 176.960 176.960 177.731 -0.771 25461 3084 1 8 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.398 1.130 25461 3085 1 8 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.554 0.258 25461 3086 1 8 . 1 1 85 85 ILE H H 85 7.750 7.750 7.582 0.168 25461 3087 1 8 . 1 1 86 86 ARG N N 86 119.593 119.593 119.167 0.426 25461 3088 1 8 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.896 -0.173 25461 3089 1 8 . 1 1 86 86 ARG C C 86 177.115 177.115 178.305 -1.190 25461 3090 1 8 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.662 1.157 25461 3091 1 8 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.614 0.612 25461 3092 1 8 . 1 1 86 86 ARG H H 86 8.868 8.868 7.746 1.122 25461 3093 1 8 . 1 1 87 87 TYR N N 87 116.869 116.869 120.133 -3.264 25461 3094 1 8 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.342 0.158 25461 3095 1 8 . 1 1 87 87 TYR C C 87 177.597 177.597 177.845 -0.248 25461 3096 1 8 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.451 -0.328 25461 3097 1 8 . 1 1 87 87 TYR CB C 87 38.435 38.435 37.988 0.447 25461 3098 1 8 . 1 1 87 87 TYR H H 87 7.684 7.684 7.858 -0.174 25461 3099 1 8 . 1 1 88 88 SER N N 88 110.655 110.655 116.608 -5.953 25461 3100 1 8 . 1 1 88 88 SER HA H 88 4.155 4.155 3.978 0.177 25461 3101 1 8 . 1 1 88 88 SER C C 88 177.666 177.666 176.654 1.012 25461 3102 1 8 . 1 1 88 88 SER CA C 88 61.207 61.207 62.189 -0.982 25461 3103 1 8 . 1 1 88 88 SER CB C 88 62.880 62.880 62.654 0.226 25461 3104 1 8 . 1 1 88 88 SER H H 88 7.510 7.510 8.160 -0.650 25461 3105 1 8 . 1 1 89 89 LEU N N 89 119.356 119.356 122.462 -3.106 25461 3106 1 8 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.112 0.081 25461 3107 1 8 . 1 1 89 89 LEU C C 89 180.057 180.057 179.932 0.125 25461 3108 1 8 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.842 -0.465 25461 3109 1 8 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.585 1.760 25461 3110 1 8 . 1 1 89 89 LEU H H 89 8.522 8.522 8.680 -0.158 25461 3111 1 8 . 1 1 90 90 GLU N N 90 120.190 120.190 118.631 1.559 25461 3112 1 8 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.049 0.067 25461 3113 1 8 . 1 1 90 90 GLU C C 90 177.812 177.812 178.637 -0.825 25461 3114 1 8 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.283 -0.241 25461 3115 1 8 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.430 0.562 25461 3116 1 8 . 1 1 90 90 GLU H H 90 8.511 8.511 7.956 0.555 25461 3117 1 8 . 1 1 91 91 ASN N N 91 115.736 115.736 116.749 -1.013 25461 3118 1 8 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.502 0.184 25461 3119 1 8 . 1 1 91 91 ASN C C 91 177.109 177.109 177.847 -0.738 25461 3120 1 8 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.654 0.036 25461 3121 1 8 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.817 1.669 25461 3122 1 8 . 1 1 91 91 ASN H H 91 7.465 7.465 7.853 -0.388 25461 3123 1 8 . 1 1 92 92 THR N N 92 110.330 110.330 112.259 -1.929 25461 3124 1 8 . 1 1 92 92 THR HA H 92 4.142 4.142 4.254 -0.112 25461 3125 1 8 . 1 1 92 92 THR C C 92 176.599 176.599 176.244 0.355 25461 3126 1 8 . 1 1 92 92 THR CA C 92 62.581 62.581 64.254 -1.673 25461 3127 1 8 . 1 1 92 92 THR CB C 92 70.198 70.198 69.445 0.753 25461 3128 1 8 . 1 1 92 92 THR H H 92 9.251 9.251 8.349 0.902 25461 3129 1 8 . 1 1 93 93 GLY N N 93 112.211 112.211 109.951 2.260 25461 3130 1 8 . 1 1 93 93 GLY C C 93 174.132 174.132 173.776 0.356 25461 3131 1 8 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.003 0.668 25461 3132 1 8 . 1 1 93 93 GLY H H 93 8.682 8.682 8.404 0.278 25461 3133 1 8 . 1 1 94 94 SER N N 94 111.808 111.808 115.114 -3.306 25461 3134 1 8 . 1 1 94 94 SER HA H 94 4.784 4.784 4.771 0.013 25461 3135 1 8 . 1 1 94 94 SER C C 94 173.862 173.862 174.325 -0.463 25461 3136 1 8 . 1 1 94 94 SER CA C 94 56.221 56.221 57.434 -1.213 25461 3137 1 8 . 1 1 94 94 SER CB C 94 64.454 64.454 66.326 -1.872 25461 3138 1 8 . 1 1 94 94 SER H H 94 8.058 8.058 7.380 0.678 25461 3139 1 8 . 1 1 95 95 VAL N N 95 129.818 129.818 126.405 3.413 25461 3140 1 8 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.695 -0.338 25461 3141 1 8 . 1 1 95 95 VAL C C 95 176.909 176.909 177.443 -0.534 25461 3142 1 8 . 1 1 95 95 VAL CA C 95 66.806 66.806 66.911 -0.105 25461 3143 1 8 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.399 0.920 25461 3144 1 8 . 1 1 95 95 VAL H H 95 8.983 8.983 8.934 0.049 25461 3145 1 8 . 1 1 96 96 GLU N N 96 117.745 117.745 119.404 -1.659 25461 3146 1 8 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.941 -0.117 25461 3147 1 8 . 1 1 96 96 GLU C C 96 179.126 179.126 178.280 0.846 25461 3148 1 8 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.740 1.085 25461 3149 1 8 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.434 0.575 25461 3150 1 8 . 1 1 96 96 GLU H H 96 8.673 8.673 8.761 -0.088 25461 3151 1 8 . 1 1 97 97 GLU N N 97 120.049 120.049 119.865 0.184 25461 3152 1 8 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.142 0.004 25461 3153 1 8 . 1 1 97 97 GLU C C 97 178.947 178.947 178.854 0.093 25461 3154 1 8 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.082 -0.141 25461 3155 1 8 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.979 0.765 25461 3156 1 8 . 1 1 97 97 GLU H H 97 8.125 8.125 8.557 -0.432 25461 3157 1 8 . 1 1 98 98 THR N N 98 118.623 118.623 117.011 1.612 25461 3158 1 8 . 1 1 98 98 THR HA H 98 3.805 3.805 4.098 -0.293 25461 3159 1 8 . 1 1 98 98 THR C C 98 175.676 175.676 176.874 -1.198 25461 3160 1 8 . 1 1 98 98 THR CA C 98 70.162 70.162 67.415 2.747 25461 3161 1 8 . 1 1 98 98 THR CB C 98 69.317 69.317 68.570 0.747 25461 3162 1 8 . 1 1 98 98 THR H H 98 8.038 8.038 7.640 0.398 25461 3163 1 8 . 1 1 99 99 VAL N N 99 120.683 120.683 120.355 0.328 25461 3164 1 8 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.846 -0.305 25461 3165 1 8 . 1 1 99 99 VAL C C 99 177.456 177.456 177.752 -0.296 25461 3166 1 8 . 1 1 99 99 VAL CA C 99 67.924 67.924 65.976 1.948 25461 3167 1 8 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.832 0.734 25461 3168 1 8 . 1 1 99 99 VAL H H 99 8.724 8.724 8.498 0.226 25461 3169 1 8 . 1 1 100 100 GLU N N 100 120.914 120.914 119.926 0.988 25461 3170 1 8 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.153 -0.139 25461 3171 1 8 . 1 1 100 100 GLU C C 100 179.857 179.857 179.339 0.518 25461 3172 1 8 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.752 0.469 25461 3173 1 8 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.586 -0.378 25461 3174 1 8 . 1 1 100 100 GLU H H 100 8.324 8.324 8.229 0.095 25461 3175 1 8 . 1 1 101 101 ARG N N 101 118.451 118.451 118.309 0.142 25461 3176 1 8 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.226 -0.353 25461 3177 1 8 . 1 1 101 101 ARG C C 101 178.078 178.078 178.055 0.023 25461 3178 1 8 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.826 1.152 25461 3179 1 8 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.919 0.027 25461 3180 1 8 . 1 1 101 101 ARG H H 101 8.197 8.197 8.534 -0.337 25461 3181 1 8 . 1 1 102 102 TYR N N 102 119.888 119.888 123.835 -3.947 25461 3182 1 8 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.437 0.038 25461 3183 1 8 . 1 1 102 102 TYR C C 102 180.056 180.056 177.834 2.222 25461 3184 1 8 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.325 0.201 25461 3185 1 8 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.369 -0.853 25461 3186 1 8 . 1 1 102 102 TYR H H 102 8.180 8.180 8.196 -0.016 25461 3187 1 8 . 1 1 103 103 LEU N N 103 122.091 122.091 118.259 3.832 25461 3188 1 8 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.666 0.165 25461 3189 1 8 . 1 1 103 103 LEU C C 103 178.973 178.973 178.070 0.903 25461 3190 1 8 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.311 0.114 25461 3191 1 8 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.264 0.358 25461 3192 1 8 . 1 1 103 103 LEU H H 103 9.050 9.050 8.110 0.940 25461 3193 1 8 . 1 1 104 104 ARG N N 104 116.388 116.388 119.942 -3.554 25461 3194 1 8 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.209 0.167 25461 3195 1 8 . 1 1 104 104 ARG C C 104 176.877 176.877 177.504 -0.627 25461 3196 1 8 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.442 0.130 25461 3197 1 8 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.619 -0.141 25461 3198 1 8 . 1 1 104 104 ARG H H 104 7.888 7.888 7.580 0.308 25461 3199 1 8 . 1 1 105 105 GLY N N 105 107.432 107.432 109.871 -2.439 25461 3200 1 8 . 1 1 105 105 GLY C C 105 174.796 174.796 174.474 0.322 25461 3201 1 8 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.273 0.059 25461 3202 1 8 . 1 1 105 105 GLY H H 105 7.688 7.688 7.972 -0.284 25461 3203 1 8 . 1 1 106 106 ASP N N 106 121.505 121.505 119.899 1.606 25461 3204 1 8 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.573 -0.192 25461 3205 1 8 . 1 1 106 106 ASP C C 106 175.595 175.595 176.453 -0.858 25461 3206 1 8 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.447 0.590 25461 3207 1 8 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.022 -1.451 25461 3208 1 8 . 1 1 106 106 ASP H H 106 7.878 7.878 8.021 -0.143 25461 3209 1 8 . 1 1 107 107 GLU N N 107 119.581 119.581 118.399 1.182 25461 3210 1 8 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.514 -0.132 25461 3211 1 8 . 1 1 107 107 GLU C C 107 177.123 177.123 175.242 1.881 25461 3212 1 8 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.020 0.454 25461 3213 1 8 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.461 0.061 25461 3214 1 8 . 1 1 107 107 GLU H H 107 8.394 8.394 8.370 0.024 25461 3215 1 8 . 1 1 108 108 PHE N N 108 126.975 126.975 120.574 6.401 25461 3216 1 8 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.727 -0.105 25461 3217 1 8 . 1 1 108 108 PHE C C 108 176.186 176.186 175.254 0.932 25461 3218 1 8 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.256 -0.026 25461 3219 1 8 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.828 -0.584 25461 3220 1 8 . 1 1 108 108 PHE H H 108 9.373 9.373 8.588 0.785 25461 3221 1 8 . 1 1 109 109 SER N N 109 121.198 121.198 118.222 2.976 25461 3222 1 8 . 1 1 109 109 SER HA H 109 4.582 4.582 4.686 -0.104 25461 3223 1 8 . 1 1 109 109 SER C C 109 175.060 175.060 173.178 1.882 25461 3224 1 8 . 1 1 109 109 SER CA C 109 58.928 58.928 57.072 1.856 25461 3225 1 8 . 1 1 109 109 SER CB C 109 64.213 64.213 65.537 -1.324 25461 3226 1 8 . 1 1 109 109 SER H H 109 8.694 8.694 8.382 0.312 25461 3227 1 8 . 1 1 110 110 PHE N N 110 121.734 121.734 118.774 2.960 25461 3228 1 8 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.591 -0.404 25461 3229 1 8 . 1 1 110 110 PHE C C 110 172.930 172.930 173.745 -0.815 25461 3230 1 8 . 1 1 110 110 PHE CA C 110 57.749 57.749 56.037 1.712 25461 3231 1 8 . 1 1 110 110 PHE CB C 110 38.497 38.497 40.047 -1.550 25461 3232 1 8 . 1 1 110 110 PHE H H 110 8.965 8.965 8.480 0.485 25461 3233 1 8 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.783 -0.434 25461 3234 1 8 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.349 -0.277 25461 3235 1 8 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.255 0.063 25461 3236 1 8 . 1 1 112 112 PRO C C 112 177.703 177.703 177.841 -0.138 25461 3237 1 8 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.683 -0.094 25461 3238 1 8 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.285 0.473 25461 3239 1 8 . 1 1 113 113 GLY N N 113 110.960 110.960 111.110 -0.150 25461 3240 1 8 . 1 1 113 113 GLY C C 113 174.074 174.074 174.655 -0.581 25461 3241 1 8 . 1 1 113 113 GLY CA C 113 45.160 45.160 44.944 0.216 25461 3242 1 8 . 1 1 113 113 GLY H H 113 8.682 8.682 8.567 0.115 25461 3243 1 8 . 1 1 114 114 PHE N N 114 120.992 120.992 120.418 0.574 25461 3244 1 8 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.294 0.016 25461 3245 1 8 . 1 1 114 114 PHE C C 114 174.567 174.567 176.774 -2.207 25461 3246 1 8 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.504 -0.180 25461 3247 1 8 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.669 0.479 25461 3248 1 8 . 1 1 114 114 PHE H H 114 7.771 7.771 7.858 -0.087 25461 3249 1 9 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.321 -0.964 25461 3250 1 9 . 1 1 42 42 ALA C C 42 177.825 177.825 176.829 0.996 25461 3251 1 9 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.041 0.633 25461 3252 1 9 . 1 1 42 42 ALA CB C 42 19.452 19.452 21.131 -1.679 25461 3253 1 9 . 1 1 43 43 MET N N 43 119.667 119.667 117.664 2.003 25461 3254 1 9 . 1 1 43 43 MET HA H 43 4.549 4.549 5.299 -0.750 25461 3255 1 9 . 1 1 43 43 MET C C 43 176.478 176.478 175.607 0.871 25461 3256 1 9 . 1 1 43 43 MET CA C 43 55.344 55.344 55.260 0.084 25461 3257 1 9 . 1 1 43 43 MET CB C 43 33.129 33.129 33.619 -0.490 25461 3258 1 9 . 1 1 43 43 MET H H 43 8.507 8.507 9.734 -1.227 25461 3259 1 9 . 1 1 44 44 GLY N N 44 110.244 110.244 108.722 1.522 25461 3260 1 9 . 1 1 44 44 GLY C C 44 172.009 172.009 172.106 -0.097 25461 3261 1 9 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.872 -0.230 25461 3262 1 9 . 1 1 44 44 GLY H H 44 8.251 8.251 8.589 -0.338 25461 3263 1 9 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.638 -0.205 25461 3264 1 9 . 1 1 45 45 PRO C C 45 177.510 177.510 176.854 0.656 25461 3265 1 9 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.842 0.563 25461 3266 1 9 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.642 -0.536 25461 3267 1 9 . 1 1 46 46 GLN N N 46 120.607 120.607 120.767 -0.160 25461 3268 1 9 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.328 0.018 25461 3269 1 9 . 1 1 46 46 GLN C C 46 176.687 176.687 176.550 0.137 25461 3270 1 9 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.152 0.904 25461 3271 1 9 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.046 0.377 25461 3272 1 9 . 1 1 46 46 GLN H H 46 8.628 8.628 8.645 -0.017 25461 3273 1 9 . 1 1 47 47 GLY N N 47 110.011 110.011 108.839 1.172 25461 3274 1 9 . 1 1 47 47 GLY C C 47 174.308 174.308 173.297 1.011 25461 3275 1 9 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.589 0.845 25461 3276 1 9 . 1 1 47 47 GLY H H 47 8.411 8.411 7.837 0.574 25461 3277 1 9 . 1 1 48 48 SER N N 48 115.646 115.646 114.180 1.466 25461 3278 1 9 . 1 1 48 48 SER HA H 48 4.542 4.542 4.697 -0.155 25461 3279 1 9 . 1 1 48 48 SER C C 48 175.288 175.288 172.924 2.364 25461 3280 1 9 . 1 1 48 48 SER CA C 48 58.437 58.437 57.528 0.909 25461 3281 1 9 . 1 1 48 48 SER CB C 48 63.965 63.965 64.717 -0.752 25461 3282 1 9 . 1 1 48 48 SER H H 48 8.284 8.284 8.255 0.029 25461 3283 1 9 . 1 1 49 49 THR N N 49 115.928 115.928 114.360 1.568 25461 3284 1 9 . 1 1 49 49 THR HA H 49 4.343 4.343 4.648 -0.305 25461 3285 1 9 . 1 1 49 49 THR C C 49 174.948 174.948 172.618 2.330 25461 3286 1 9 . 1 1 49 49 THR CA C 49 62.294 62.294 62.093 0.201 25461 3287 1 9 . 1 1 49 49 THR CB C 49 69.614 69.614 70.443 -0.829 25461 3288 1 9 . 1 1 49 49 THR H H 49 8.282 8.282 8.778 -0.496 25461 3289 1 9 . 1 1 50 50 GLN N N 50 122.155 122.155 120.811 1.344 25461 3290 1 9 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.614 -0.227 25461 3291 1 9 . 1 1 50 50 GLN C C 50 176.071 176.071 174.254 1.817 25461 3292 1 9 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.327 1.063 25461 3293 1 9 . 1 1 50 50 GLN CB C 50 29.226 29.226 30.578 -1.352 25461 3294 1 9 . 1 1 50 50 GLN H H 50 8.401 8.401 8.560 -0.159 25461 3295 1 9 . 1 1 51 51 ASN N N 51 119.604 119.604 118.623 0.981 25461 3296 1 9 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.821 -0.183 25461 3297 1 9 . 1 1 51 51 ASN C C 51 175.275 175.275 174.906 0.369 25461 3298 1 9 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.462 1.188 25461 3299 1 9 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.277 -0.420 25461 3300 1 9 . 1 1 51 51 ASN H H 51 8.395 8.395 8.305 0.090 25461 3301 1 9 . 1 1 52 52 ALA N N 52 124.054 124.054 123.665 0.389 25461 3302 1 9 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.398 -0.136 25461 3303 1 9 . 1 1 52 52 ALA C C 52 177.915 177.915 176.204 1.711 25461 3304 1 9 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.411 0.680 25461 3305 1 9 . 1 1 52 52 ALA CB C 52 19.174 19.174 17.563 1.611 25461 3306 1 9 . 1 1 52 52 ALA H H 52 8.227 8.227 8.442 -0.215 25461 3307 1 9 . 1 1 53 53 LEU N N 53 120.325 120.325 121.858 -1.533 25461 3308 1 9 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.704 -0.412 25461 3309 1 9 . 1 1 53 53 LEU C C 53 177.531 177.531 175.014 2.517 25461 3310 1 9 . 1 1 53 53 LEU CA C 53 55.443 55.443 55.489 -0.046 25461 3311 1 9 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.034 -1.827 25461 3312 1 9 . 1 1 53 53 LEU H H 53 8.097 8.097 7.811 0.286 25461 3313 1 9 . 1 1 54 54 ARG N N 54 121.409 121.409 124.909 -3.500 25461 3314 1 9 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.603 -0.270 25461 3315 1 9 . 1 1 54 54 ARG C C 54 176.332 176.332 175.358 0.974 25461 3316 1 9 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.511 0.676 25461 3317 1 9 . 1 1 54 54 ARG CB C 54 30.736 30.736 32.372 -1.636 25461 3318 1 9 . 1 1 54 54 ARG H H 54 8.155 8.155 8.379 -0.224 25461 3319 1 9 . 1 1 55 55 ARG N N 55 122.380 122.380 122.882 -0.502 25461 3320 1 9 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.226 0.192 25461 3321 1 9 . 1 1 55 55 ARG C C 55 176.563 176.563 176.534 0.029 25461 3322 1 9 . 1 1 55 55 ARG CA C 55 56.289 56.289 57.424 -1.135 25461 3323 1 9 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.828 1.010 25461 3324 1 9 . 1 1 55 55 ARG H H 55 8.389 8.389 8.647 -0.258 25461 3325 1 9 . 1 1 56 56 THR N N 56 114.693 114.693 110.919 3.774 25461 3326 1 9 . 1 1 56 56 THR HA H 56 4.372 4.372 4.253 0.119 25461 3327 1 9 . 1 1 56 56 THR C C 56 175.062 175.062 174.551 0.511 25461 3328 1 9 . 1 1 56 56 THR CA C 56 61.926 61.926 61.932 -0.007 25461 3329 1 9 . 1 1 56 56 THR CB C 56 70.016 70.016 69.543 0.473 25461 3330 1 9 . 1 1 56 56 THR H H 56 8.204 8.204 7.539 0.665 25461 3331 1 9 . 1 1 57 57 GLY N N 57 111.042 111.042 109.051 1.991 25461 3332 1 9 . 1 1 57 57 GLY C C 57 173.868 173.868 174.094 -0.226 25461 3333 1 9 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.380 -0.089 25461 3334 1 9 . 1 1 57 57 GLY H H 57 8.424 8.424 8.296 0.128 25461 3335 1 9 . 1 1 58 58 ARG N N 58 120.824 120.824 119.796 1.028 25461 3336 1 9 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.127 0.259 25461 3337 1 9 . 1 1 58 58 ARG C C 58 176.522 176.522 176.016 0.506 25461 3338 1 9 . 1 1 58 58 ARG CA C 58 56.111 56.111 56.239 -0.128 25461 3339 1 9 . 1 1 58 58 ARG CB C 58 31.074 31.074 29.095 1.979 25461 3340 1 9 . 1 1 58 58 ARG H H 58 8.232 8.232 8.462 -0.230 25461 3341 1 9 . 1 1 59 59 VAL N N 59 121.437 121.437 114.613 6.824 25461 3342 1 9 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.158 -0.038 25461 3343 1 9 . 1 1 59 59 VAL C C 59 176.022 176.022 175.822 0.200 25461 3344 1 9 . 1 1 59 59 VAL CA C 59 62.413 62.413 61.714 0.699 25461 3345 1 9 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.230 0.585 25461 3346 1 9 . 1 1 59 59 VAL H H 59 8.307 8.307 7.749 0.558 25461 3347 1 9 . 1 1 60 60 ASN N N 60 122.487 122.487 118.644 3.843 25461 3348 1 9 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.524 0.213 25461 3349 1 9 . 1 1 60 60 ASN C C 60 175.521 175.521 175.456 0.065 25461 3350 1 9 . 1 1 60 60 ASN CA C 60 53.375 53.375 54.142 -0.766 25461 3351 1 9 . 1 1 60 60 ASN CB C 60 39.098 39.098 38.671 0.427 25461 3352 1 9 . 1 1 60 60 ASN H H 60 8.593 8.593 8.389 0.204 25461 3353 1 9 . 1 1 61 61 GLY N N 61 109.681 109.681 107.562 2.119 25461 3354 1 9 . 1 1 61 61 GLY C C 61 174.361 174.361 173.814 0.547 25461 3355 1 9 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.189 0.310 25461 3356 1 9 . 1 1 61 61 GLY H H 61 8.407 8.407 8.592 -0.185 25461 3357 1 9 . 1 1 62 62 GLY N N 62 108.197 108.197 109.044 -0.847 25461 3358 1 9 . 1 1 62 62 GLY C C 62 173.866 173.866 173.167 0.699 25461 3359 1 9 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.894 0.218 25461 3360 1 9 . 1 1 62 62 GLY H H 62 8.209 8.209 7.620 0.589 25461 3361 1 9 . 1 1 63 63 HIS N N 63 121.370 121.370 121.869 -0.499 25461 3362 1 9 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.034 -0.235 25461 3363 1 9 . 1 1 63 63 HIS C C 63 173.562 173.562 173.624 -0.062 25461 3364 1 9 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.085 0.761 25461 3365 1 9 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.789 -1.617 25461 3366 1 9 . 1 1 63 63 HIS H H 63 8.587 8.587 8.539 0.048 25461 3367 1 9 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.542 -0.081 25461 3368 1 9 . 1 1 64 64 PRO C C 64 176.406 176.406 176.438 -0.032 25461 3369 1 9 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.903 0.185 25461 3370 1 9 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.566 -0.563 25461 3371 1 9 . 1 1 65 65 VAL N N 65 122.214 122.214 115.358 6.856 25461 3372 1 9 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.756 -0.402 25461 3373 1 9 . 1 1 65 65 VAL C C 65 176.217 176.217 175.429 0.788 25461 3374 1 9 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.346 2.886 25461 3375 1 9 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.406 -0.052 25461 3376 1 9 . 1 1 65 65 VAL H H 65 8.436 8.436 8.227 0.209 25461 3377 1 9 . 1 1 66 66 THR N N 66 118.215 118.215 112.187 6.028 25461 3378 1 9 . 1 1 66 66 THR HA H 66 4.844 4.844 4.722 0.122 25461 3379 1 9 . 1 1 66 66 THR C C 66 175.632 175.632 174.806 0.826 25461 3380 1 9 . 1 1 66 66 THR CA C 66 59.250 59.250 59.702 -0.452 25461 3381 1 9 . 1 1 66 66 THR CB C 66 71.632 71.632 71.497 0.135 25461 3382 1 9 . 1 1 66 66 THR H H 66 7.765 7.765 7.897 -0.132 25461 3383 1 9 . 1 1 67 67 THR N N 67 116.809 116.809 117.977 -1.168 25461 3384 1 9 . 1 1 67 67 THR HA H 67 3.846 3.846 3.915 -0.069 25461 3385 1 9 . 1 1 67 67 THR C C 67 176.323 176.323 176.281 0.042 25461 3386 1 9 . 1 1 67 67 THR CA C 67 66.206 66.206 65.937 0.269 25461 3387 1 9 . 1 1 67 67 THR CB C 67 68.417 68.417 68.445 -0.028 25461 3388 1 9 . 1 1 67 67 THR H H 67 8.901 8.901 8.591 0.310 25461 3389 1 9 . 1 1 68 68 GLN N N 68 120.255 120.255 119.714 0.541 25461 3390 1 9 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.210 -0.127 25461 3391 1 9 . 1 1 68 68 GLN C C 68 179.056 179.056 178.077 0.979 25461 3392 1 9 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.775 0.879 25461 3393 1 9 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.743 0.188 25461 3394 1 9 . 1 1 68 68 GLN H H 68 8.290 8.290 8.780 -0.490 25461 3395 1 9 . 1 1 69 69 MET N N 69 120.434 120.434 119.368 1.066 25461 3396 1 9 . 1 1 69 69 MET HA H 69 3.918 3.918 4.184 -0.266 25461 3397 1 9 . 1 1 69 69 MET C C 69 177.390 177.390 178.133 -0.743 25461 3398 1 9 . 1 1 69 69 MET CA C 69 59.757 59.757 59.209 0.548 25461 3399 1 9 . 1 1 69 69 MET CB C 69 35.178 35.178 32.295 2.883 25461 3400 1 9 . 1 1 69 69 MET H H 69 7.718 7.718 8.052 -0.334 25461 3401 1 9 . 1 1 70 70 VAL N N 70 118.137 118.137 119.465 -1.328 25461 3402 1 9 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.588 -0.254 25461 3403 1 9 . 1 1 70 70 VAL C C 70 177.985 177.985 178.208 -0.223 25461 3404 1 9 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.681 -0.307 25461 3405 1 9 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.762 0.927 25461 3406 1 9 . 1 1 70 70 VAL H H 70 7.322 7.322 7.363 -0.041 25461 3407 1 9 . 1 1 71 71 GLU N N 71 118.717 118.717 118.321 0.396 25461 3408 1 9 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.931 0.001 25461 3409 1 9 . 1 1 71 71 GLU C C 71 178.984 178.984 179.099 -0.115 25461 3410 1 9 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.449 -0.121 25461 3411 1 9 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.915 0.667 25461 3412 1 9 . 1 1 71 71 GLU H H 71 8.446 8.446 8.446 0.000 25461 3413 1 9 . 1 1 72 72 THR N N 72 116.413 116.413 117.425 -1.012 25461 3414 1 9 . 1 1 72 72 THR HA H 72 3.885 3.885 3.966 -0.081 25461 3415 1 9 . 1 1 72 72 THR C C 72 176.837 176.837 176.750 0.087 25461 3416 1 9 . 1 1 72 72 THR CA C 72 66.924 66.924 66.459 0.465 25461 3417 1 9 . 1 1 72 72 THR CB C 72 68.594 68.594 68.575 0.019 25461 3418 1 9 . 1 1 72 72 THR H H 72 8.055 8.055 7.908 0.147 25461 3419 1 9 . 1 1 73 73 VAL N N 73 119.440 119.440 120.857 -1.417 25461 3420 1 9 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.553 -0.192 25461 3421 1 9 . 1 1 73 73 VAL C C 73 177.119 177.119 177.924 -0.805 25461 3422 1 9 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.489 -0.016 25461 3423 1 9 . 1 1 73 73 VAL CB C 73 30.913 30.913 30.604 0.309 25461 3424 1 9 . 1 1 73 73 VAL H H 73 7.521 7.521 7.921 -0.400 25461 3425 1 9 . 1 1 74 74 GLN N N 74 120.105 120.105 119.519 0.586 25461 3426 1 9 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.832 -0.191 25461 3427 1 9 . 1 1 74 74 GLN C C 74 177.761 177.761 178.309 -0.548 25461 3428 1 9 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.629 0.095 25461 3429 1 9 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.337 0.960 25461 3430 1 9 . 1 1 74 74 GLN H H 74 8.884 8.884 8.470 0.414 25461 3431 1 9 . 1 1 75 75 ASN N N 75 113.460 113.460 117.676 -4.216 25461 3432 1 9 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.436 -0.074 25461 3433 1 9 . 1 1 75 75 ASN C C 75 176.122 176.122 177.638 -1.516 25461 3434 1 9 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.732 -0.241 25461 3435 1 9 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.515 0.457 25461 3436 1 9 . 1 1 75 75 ASN H H 75 7.472 7.472 8.267 -0.795 25461 3437 1 9 . 1 1 76 76 LEU N N 76 118.225 118.225 117.182 1.043 25461 3438 1 9 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.419 -0.112 25461 3439 1 9 . 1 1 76 76 LEU C C 76 175.358 175.358 176.862 -1.504 25461 3440 1 9 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.872 -0.494 25461 3441 1 9 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.581 0.855 25461 3442 1 9 . 1 1 76 76 LEU H H 76 7.130 7.130 7.614 -0.484 25461 3443 1 9 . 1 1 77 77 ALA N N 77 122.753 122.753 119.987 2.766 25461 3444 1 9 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.559 -0.113 25461 3445 1 9 . 1 1 77 77 ALA C C 77 173.976 173.976 175.084 -1.108 25461 3446 1 9 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.903 0.519 25461 3447 1 9 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.404 -1.021 25461 3448 1 9 . 1 1 77 77 ALA H H 77 7.784 7.784 7.772 0.012 25461 3449 1 9 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.311 0.075 25461 3450 1 9 . 1 1 78 78 PRO C C 78 177.311 177.311 176.499 0.812 25461 3451 1 9 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.027 0.571 25461 3452 1 9 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.740 0.401 25461 3453 1 9 . 1 1 79 79 ASN N N 79 111.571 111.571 116.039 -4.468 25461 3454 1 9 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.786 -0.032 25461 3455 1 9 . 1 1 79 79 ASN C C 79 175.765 175.765 174.158 1.607 25461 3456 1 9 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.129 0.033 25461 3457 1 9 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.298 -1.416 25461 3458 1 9 . 1 1 79 79 ASN H H 79 7.868 7.868 8.408 -0.540 25461 3459 1 9 . 1 1 80 80 LEU N N 80 119.219 119.219 119.237 -0.018 25461 3460 1 9 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.444 -0.076 25461 3461 1 9 . 1 1 80 80 LEU C C 80 175.715 175.715 174.873 0.842 25461 3462 1 9 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.247 0.602 25461 3463 1 9 . 1 1 80 80 LEU CB C 80 43.172 43.172 45.194 -2.022 25461 3464 1 9 . 1 1 80 80 LEU H H 80 7.176 7.176 7.211 -0.035 25461 3465 1 9 . 1 1 81 81 HIS N N 81 123.894 123.894 121.434 2.460 25461 3466 1 9 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.825 -0.083 25461 3467 1 9 . 1 1 81 81 HIS C C 81 176.185 176.185 174.489 1.696 25461 3468 1 9 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.909 0.583 25461 3469 1 9 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.888 0.288 25461 3470 1 9 . 1 1 81 81 HIS H H 81 9.023 9.023 8.085 0.938 25461 3471 1 9 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.204 -0.191 25461 3472 1 9 . 1 1 82 82 PRO C C 82 178.774 178.774 178.643 0.131 25461 3473 1 9 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.652 0.743 25461 3474 1 9 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.130 -0.095 25461 3475 1 9 . 1 1 83 83 GLU N N 83 120.128 120.128 119.118 1.010 25461 3476 1 9 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.159 0.251 25461 3477 1 9 . 1 1 83 83 GLU C C 83 181.651 181.651 178.876 2.775 25461 3478 1 9 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.841 -0.612 25461 3479 1 9 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.504 -0.208 25461 3480 1 9 . 1 1 83 83 GLU H H 83 11.938 11.938 8.249 3.689 25461 3481 1 9 . 1 1 84 84 GLN N N 84 117.052 117.052 119.497 -2.445 25461 3482 1 9 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.962 0.019 25461 3483 1 9 . 1 1 84 84 GLN C C 84 179.958 179.958 178.911 1.047 25461 3484 1 9 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.651 0.298 25461 3485 1 9 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.445 2.224 25461 3486 1 9 . 1 1 84 84 GLN H H 84 7.467 7.467 7.481 -0.014 25461 3487 1 9 . 1 1 85 85 ILE N N 85 120.448 120.448 121.221 -0.773 25461 3488 1 9 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.638 -0.305 25461 3489 1 9 . 1 1 85 85 ILE C C 85 176.960 176.960 177.397 -0.437 25461 3490 1 9 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.516 1.012 25461 3491 1 9 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.581 0.231 25461 3492 1 9 . 1 1 85 85 ILE H H 85 7.750 7.750 8.142 -0.392 25461 3493 1 9 . 1 1 86 86 ARG N N 86 119.593 119.593 119.752 -0.159 25461 3494 1 9 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.879 -0.156 25461 3495 1 9 . 1 1 86 86 ARG C C 86 177.115 177.115 178.367 -1.252 25461 3496 1 9 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.549 1.270 25461 3497 1 9 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.731 0.495 25461 3498 1 9 . 1 1 86 86 ARG H H 86 8.868 8.868 7.778 1.090 25461 3499 1 9 . 1 1 87 87 TYR N N 87 116.869 116.869 120.332 -3.463 25461 3500 1 9 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.348 0.152 25461 3501 1 9 . 1 1 87 87 TYR C C 87 177.597 177.597 178.007 -0.410 25461 3502 1 9 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.295 -0.172 25461 3503 1 9 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.075 0.360 25461 3504 1 9 . 1 1 87 87 TYR H H 87 7.684 7.684 8.307 -0.623 25461 3505 1 9 . 1 1 88 88 SER N N 88 110.655 110.655 116.309 -5.654 25461 3506 1 9 . 1 1 88 88 SER HA H 88 4.155 4.155 3.910 0.245 25461 3507 1 9 . 1 1 88 88 SER C C 88 177.666 177.666 176.948 0.718 25461 3508 1 9 . 1 1 88 88 SER CA C 88 61.207 61.207 62.489 -1.282 25461 3509 1 9 . 1 1 88 88 SER CB C 88 62.880 62.880 62.879 0.001 25461 3510 1 9 . 1 1 88 88 SER H H 88 7.510 7.510 8.326 -0.816 25461 3511 1 9 . 1 1 89 89 LEU N N 89 119.356 119.356 123.301 -3.945 25461 3512 1 9 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.086 0.107 25461 3513 1 9 . 1 1 89 89 LEU C C 89 180.057 180.057 179.466 0.591 25461 3514 1 9 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.882 -0.505 25461 3515 1 9 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.643 1.702 25461 3516 1 9 . 1 1 89 89 LEU H H 89 8.522 8.522 8.728 -0.206 25461 3517 1 9 . 1 1 90 90 GLU N N 90 120.190 120.190 119.554 0.636 25461 3518 1 9 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.283 -0.167 25461 3519 1 9 . 1 1 90 90 GLU C C 90 177.812 177.812 179.358 -1.546 25461 3520 1 9 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.474 -0.432 25461 3521 1 9 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.474 0.517 25461 3522 1 9 . 1 1 90 90 GLU H H 90 8.511 8.511 8.025 0.486 25461 3523 1 9 . 1 1 91 91 ASN N N 91 115.736 115.736 118.356 -2.620 25461 3524 1 9 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.487 0.199 25461 3525 1 9 . 1 1 91 91 ASN C C 91 177.109 177.109 177.867 -0.758 25461 3526 1 9 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.228 -0.538 25461 3527 1 9 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.722 1.764 25461 3528 1 9 . 1 1 91 91 ASN H H 91 7.465 7.465 7.866 -0.401 25461 3529 1 9 . 1 1 92 92 THR N N 92 110.330 110.330 109.944 0.386 25461 3530 1 9 . 1 1 92 92 THR HA H 92 4.142 4.142 4.230 -0.088 25461 3531 1 9 . 1 1 92 92 THR C C 92 176.599 176.599 176.153 0.446 25461 3532 1 9 . 1 1 92 92 THR CA C 92 62.581 62.581 64.681 -2.100 25461 3533 1 9 . 1 1 92 92 THR CB C 92 70.198 70.198 69.686 0.512 25461 3534 1 9 . 1 1 92 92 THR H H 92 9.251 9.251 8.308 0.943 25461 3535 1 9 . 1 1 93 93 GLY N N 93 112.211 112.211 110.591 1.620 25461 3536 1 9 . 1 1 93 93 GLY C C 93 174.132 174.132 173.693 0.439 25461 3537 1 9 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.149 0.522 25461 3538 1 9 . 1 1 93 93 GLY H H 93 8.682 8.682 8.204 0.478 25461 3539 1 9 . 1 1 94 94 SER N N 94 111.808 111.808 115.314 -3.506 25461 3540 1 9 . 1 1 94 94 SER HA H 94 4.784 4.784 4.693 0.091 25461 3541 1 9 . 1 1 94 94 SER C C 94 173.862 173.862 174.327 -0.465 25461 3542 1 9 . 1 1 94 94 SER CA C 94 56.221 56.221 57.041 -0.820 25461 3543 1 9 . 1 1 94 94 SER CB C 94 64.454 64.454 66.655 -2.201 25461 3544 1 9 . 1 1 94 94 SER H H 94 8.058 8.058 7.197 0.861 25461 3545 1 9 . 1 1 95 95 VAL N N 95 129.818 129.818 125.287 4.531 25461 3546 1 9 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.607 -0.250 25461 3547 1 9 . 1 1 95 95 VAL C C 95 176.909 176.909 177.539 -0.630 25461 3548 1 9 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.499 -0.692 25461 3549 1 9 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.963 0.356 25461 3550 1 9 . 1 1 95 95 VAL H H 95 8.983 8.983 8.868 0.115 25461 3551 1 9 . 1 1 96 96 GLU N N 96 117.745 117.745 119.091 -1.346 25461 3552 1 9 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.849 -0.025 25461 3553 1 9 . 1 1 96 96 GLU C C 96 179.126 179.126 178.473 0.653 25461 3554 1 9 . 1 1 96 96 GLU CA C 96 60.825 60.825 60.067 0.758 25461 3555 1 9 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.726 0.283 25461 3556 1 9 . 1 1 96 96 GLU H H 96 8.673 8.673 8.758 -0.085 25461 3557 1 9 . 1 1 97 97 GLU N N 97 120.049 120.049 120.648 -0.599 25461 3558 1 9 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.085 0.061 25461 3559 1 9 . 1 1 97 97 GLU C C 97 178.947 178.947 178.559 0.388 25461 3560 1 9 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.363 -0.422 25461 3561 1 9 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.042 0.702 25461 3562 1 9 . 1 1 97 97 GLU H H 97 8.125 8.125 8.477 -0.352 25461 3563 1 9 . 1 1 98 98 THR N N 98 118.623 118.623 115.895 2.728 25461 3564 1 9 . 1 1 98 98 THR HA H 98 3.805 3.805 4.122 -0.317 25461 3565 1 9 . 1 1 98 98 THR C C 98 175.676 175.676 176.774 -1.098 25461 3566 1 9 . 1 1 98 98 THR CA C 98 70.162 70.162 66.966 3.196 25461 3567 1 9 . 1 1 98 98 THR CB C 98 69.317 69.317 68.733 0.584 25461 3568 1 9 . 1 1 98 98 THR H H 98 8.038 8.038 7.703 0.335 25461 3569 1 9 . 1 1 99 99 VAL N N 99 120.683 120.683 121.792 -1.109 25461 3570 1 9 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.736 -0.195 25461 3571 1 9 . 1 1 99 99 VAL C C 99 177.456 177.456 177.607 -0.151 25461 3572 1 9 . 1 1 99 99 VAL CA C 99 67.924 67.924 67.029 0.895 25461 3573 1 9 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.557 0.009 25461 3574 1 9 . 1 1 99 99 VAL H H 99 8.724 8.724 8.487 0.237 25461 3575 1 9 . 1 1 100 100 GLU N N 100 120.914 120.914 119.715 1.199 25461 3576 1 9 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.052 -0.038 25461 3577 1 9 . 1 1 100 100 GLU C C 100 179.857 179.857 179.334 0.523 25461 3578 1 9 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.978 0.242 25461 3579 1 9 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.474 -0.266 25461 3580 1 9 . 1 1 100 100 GLU H H 100 8.324 8.324 8.674 -0.350 25461 3581 1 9 . 1 1 101 101 ARG N N 101 118.451 118.451 118.582 -0.131 25461 3582 1 9 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.184 -0.311 25461 3583 1 9 . 1 1 101 101 ARG C C 101 178.078 178.078 178.305 -0.227 25461 3584 1 9 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.885 1.093 25461 3585 1 9 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.879 0.067 25461 3586 1 9 . 1 1 101 101 ARG H H 101 8.197 8.197 8.095 0.102 25461 3587 1 9 . 1 1 102 102 TYR N N 102 119.888 119.888 124.025 -4.137 25461 3588 1 9 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.403 0.072 25461 3589 1 9 . 1 1 102 102 TYR C C 102 180.056 180.056 178.074 1.982 25461 3590 1 9 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.099 0.427 25461 3591 1 9 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.387 -0.871 25461 3592 1 9 . 1 1 102 102 TYR H H 102 8.180 8.180 8.149 0.031 25461 3593 1 9 . 1 1 103 103 LEU N N 103 122.091 122.091 118.823 3.268 25461 3594 1 9 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.584 0.247 25461 3595 1 9 . 1 1 103 103 LEU C C 103 178.973 178.973 177.949 1.024 25461 3596 1 9 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.378 0.047 25461 3597 1 9 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.257 0.365 25461 3598 1 9 . 1 1 103 103 LEU H H 103 9.050 9.050 8.332 0.718 25461 3599 1 9 . 1 1 104 104 ARG N N 104 116.388 116.388 119.604 -3.216 25461 3600 1 9 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.355 0.021 25461 3601 1 9 . 1 1 104 104 ARG C C 104 176.877 176.877 177.276 -0.399 25461 3602 1 9 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.748 0.824 25461 3603 1 9 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.514 -0.036 25461 3604 1 9 . 1 1 104 104 ARG H H 104 7.888 7.888 7.681 0.207 25461 3605 1 9 . 1 1 105 105 GLY N N 105 107.432 107.432 108.234 -0.802 25461 3606 1 9 . 1 1 105 105 GLY C C 105 174.796 174.796 174.464 0.332 25461 3607 1 9 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.918 0.414 25461 3608 1 9 . 1 1 105 105 GLY H H 105 7.688 7.688 7.932 -0.244 25461 3609 1 9 . 1 1 106 106 ASP N N 106 121.505 121.505 121.157 0.348 25461 3610 1 9 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.608 -0.227 25461 3611 1 9 . 1 1 106 106 ASP C C 106 175.595 175.595 176.736 -1.141 25461 3612 1 9 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.033 1.004 25461 3613 1 9 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.074 -1.503 25461 3614 1 9 . 1 1 106 106 ASP H H 106 7.878 7.878 8.025 -0.147 25461 3615 1 9 . 1 1 107 107 GLU N N 107 119.581 119.581 118.740 0.841 25461 3616 1 9 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.407 -0.025 25461 3617 1 9 . 1 1 107 107 GLU C C 107 177.123 177.123 175.546 1.577 25461 3618 1 9 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.735 -0.260 25461 3619 1 9 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.354 0.168 25461 3620 1 9 . 1 1 107 107 GLU H H 107 8.394 8.394 8.505 -0.112 25461 3621 1 9 . 1 1 108 108 PHE N N 108 126.975 126.975 120.681 6.294 25461 3622 1 9 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.822 -0.200 25461 3623 1 9 . 1 1 108 108 PHE C C 108 176.186 176.186 175.417 0.769 25461 3624 1 9 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.434 -0.204 25461 3625 1 9 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.653 -0.409 25461 3626 1 9 . 1 1 108 108 PHE H H 108 9.373 9.373 8.668 0.705 25461 3627 1 9 . 1 1 109 109 SER N N 109 121.198 121.198 119.278 1.920 25461 3628 1 9 . 1 1 109 109 SER HA H 109 4.582 4.582 4.674 -0.092 25461 3629 1 9 . 1 1 109 109 SER C C 109 175.060 175.060 173.280 1.780 25461 3630 1 9 . 1 1 109 109 SER CA C 109 58.928 58.928 57.388 1.540 25461 3631 1 9 . 1 1 109 109 SER CB C 109 64.213 64.213 64.733 -0.520 25461 3632 1 9 . 1 1 109 109 SER H H 109 8.694 8.694 8.182 0.512 25461 3633 1 9 . 1 1 110 110 PHE N N 110 121.734 121.734 119.921 1.813 25461 3634 1 9 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.419 -0.232 25461 3635 1 9 . 1 1 110 110 PHE C C 110 172.930 172.930 173.921 -0.991 25461 3636 1 9 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.895 1.854 25461 3637 1 9 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.018 -0.521 25461 3638 1 9 . 1 1 110 110 PHE H H 110 8.965 8.965 8.404 0.561 25461 3639 1 9 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.880 -0.531 25461 3640 1 9 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.343 -0.271 25461 3641 1 9 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.233 0.085 25461 3642 1 9 . 1 1 112 112 PRO C C 112 177.703 177.703 178.134 -0.431 25461 3643 1 9 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.753 -0.164 25461 3644 1 9 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.357 0.401 25461 3645 1 9 . 1 1 113 113 GLY N N 113 110.960 110.960 110.468 0.492 25461 3646 1 9 . 1 1 113 113 GLY C C 113 174.074 174.074 174.619 -0.545 25461 3647 1 9 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.275 -0.115 25461 3648 1 9 . 1 1 113 113 GLY H H 113 8.682 8.682 8.656 0.026 25461 3649 1 9 . 1 1 114 114 PHE N N 114 120.992 120.992 120.131 0.861 25461 3650 1 9 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.397 -0.087 25461 3651 1 9 . 1 1 114 114 PHE C C 114 174.567 174.567 176.513 -1.946 25461 3652 1 9 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.485 -0.161 25461 3653 1 9 . 1 1 114 114 PHE CB C 114 40.149 40.149 40.033 0.116 25461 3654 1 9 . 1 1 114 114 PHE H H 114 7.771 7.771 7.863 -0.092 25461 3655 1 10 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.091 -0.734 25461 3656 1 10 . 1 1 42 42 ALA C C 42 177.825 177.825 177.273 0.552 25461 3657 1 10 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.488 0.186 25461 3658 1 10 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.751 -0.299 25461 3659 1 10 . 1 1 43 43 MET N N 43 119.667 119.667 118.801 0.866 25461 3660 1 10 . 1 1 43 43 MET HA H 43 4.549 4.549 4.563 -0.014 25461 3661 1 10 . 1 1 43 43 MET C C 43 176.478 176.478 175.669 0.809 25461 3662 1 10 . 1 1 43 43 MET CA C 43 55.344 55.344 54.924 0.420 25461 3663 1 10 . 1 1 43 43 MET CB C 43 33.129 33.129 35.205 -2.076 25461 3664 1 10 . 1 1 43 43 MET H H 43 8.507 8.507 8.370 0.137 25461 3665 1 10 . 1 1 44 44 GLY N N 44 110.244 110.244 108.436 1.808 25461 3666 1 10 . 1 1 44 44 GLY C C 44 172.009 172.009 172.363 -0.354 25461 3667 1 10 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.764 -0.122 25461 3668 1 10 . 1 1 44 44 GLY H H 44 8.251 8.251 8.567 -0.316 25461 3669 1 10 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.494 -0.061 25461 3670 1 10 . 1 1 45 45 PRO C C 45 177.510 177.510 176.023 1.487 25461 3671 1 10 . 1 1 45 45 PRO CA C 45 63.405 63.405 63.440 -0.035 25461 3672 1 10 . 1 1 45 45 PRO CB C 45 32.106 32.106 31.859 0.247 25461 3673 1 10 . 1 1 46 46 GLN N N 46 120.607 120.607 120.239 0.368 25461 3674 1 10 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.585 -0.239 25461 3675 1 10 . 1 1 46 46 GLN C C 46 176.687 176.687 174.778 1.909 25461 3676 1 10 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.352 0.704 25461 3677 1 10 . 1 1 46 46 GLN CB C 46 29.423 29.423 30.386 -0.963 25461 3678 1 10 . 1 1 46 46 GLN H H 46 8.628 8.628 8.205 0.423 25461 3679 1 10 . 1 1 47 47 GLY N N 47 110.011 110.011 108.830 1.181 25461 3680 1 10 . 1 1 47 47 GLY C C 47 174.308 174.308 172.883 1.425 25461 3681 1 10 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.634 0.800 25461 3682 1 10 . 1 1 47 47 GLY H H 47 8.411 8.411 8.861 -0.450 25461 3683 1 10 . 1 1 48 48 SER N N 48 115.646 115.646 114.442 1.204 25461 3684 1 10 . 1 1 48 48 SER HA H 48 4.542 4.542 5.317 -0.775 25461 3685 1 10 . 1 1 48 48 SER C C 48 175.288 175.288 173.825 1.463 25461 3686 1 10 . 1 1 48 48 SER CA C 48 58.437 58.437 58.054 0.383 25461 3687 1 10 . 1 1 48 48 SER CB C 48 63.965 63.965 65.858 -1.893 25461 3688 1 10 . 1 1 48 48 SER H H 48 8.284 8.284 9.112 -0.828 25461 3689 1 10 . 1 1 49 49 THR N N 49 115.928 115.928 114.307 1.621 25461 3690 1 10 . 1 1 49 49 THR HA H 49 4.343 4.343 4.767 -0.424 25461 3691 1 10 . 1 1 49 49 THR C C 49 174.948 174.948 172.632 2.316 25461 3692 1 10 . 1 1 49 49 THR CA C 49 62.294 62.294 61.997 0.297 25461 3693 1 10 . 1 1 49 49 THR CB C 49 69.614 69.614 69.538 0.076 25461 3694 1 10 . 1 1 49 49 THR H H 49 8.282 8.282 8.317 -0.035 25461 3695 1 10 . 1 1 50 50 GLN N N 50 122.155 122.155 119.776 2.379 25461 3696 1 10 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.902 -0.515 25461 3697 1 10 . 1 1 50 50 GLN C C 50 176.071 176.071 174.356 1.715 25461 3698 1 10 . 1 1 50 50 GLN CA C 50 56.390 56.390 54.533 1.857 25461 3699 1 10 . 1 1 50 50 GLN CB C 50 29.226 29.226 31.273 -2.047 25461 3700 1 10 . 1 1 50 50 GLN H H 50 8.401 8.401 8.603 -0.202 25461 3701 1 10 . 1 1 51 51 ASN N N 51 119.604 119.604 117.954 1.650 25461 3702 1 10 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.919 -0.281 25461 3703 1 10 . 1 1 51 51 ASN C C 51 175.275 175.275 174.032 1.243 25461 3704 1 10 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.910 0.741 25461 3705 1 10 . 1 1 51 51 ASN CB C 51 38.857 38.857 40.500 -1.643 25461 3706 1 10 . 1 1 51 51 ASN H H 51 8.395 8.395 8.466 -0.071 25461 3707 1 10 . 1 1 52 52 ALA N N 52 124.054 124.054 124.992 -0.938 25461 3708 1 10 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.822 -0.560 25461 3709 1 10 . 1 1 52 52 ALA C C 52 177.915 177.915 176.039 1.876 25461 3710 1 10 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.954 1.137 25461 3711 1 10 . 1 1 52 52 ALA CB C 52 19.174 19.174 18.841 0.333 25461 3712 1 10 . 1 1 52 52 ALA H H 52 8.227 8.227 8.580 -0.353 25461 3713 1 10 . 1 1 53 53 LEU N N 53 120.325 120.325 121.730 -1.405 25461 3714 1 10 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.910 -0.618 25461 3715 1 10 . 1 1 53 53 LEU C C 53 177.531 177.531 177.063 0.468 25461 3716 1 10 . 1 1 53 53 LEU CA C 53 55.443 55.443 53.879 1.564 25461 3717 1 10 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.062 -1.855 25461 3718 1 10 . 1 1 53 53 LEU H H 53 8.097 8.097 7.847 0.250 25461 3719 1 10 . 1 1 54 54 ARG N N 54 121.409 121.409 117.892 3.517 25461 3720 1 10 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.010 0.323 25461 3721 1 10 . 1 1 54 54 ARG C C 54 176.332 176.332 176.817 -0.485 25461 3722 1 10 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.848 -0.661 25461 3723 1 10 . 1 1 54 54 ARG CB C 54 30.736 30.736 28.280 2.455 25461 3724 1 10 . 1 1 54 54 ARG H H 54 8.155 8.155 8.706 -0.551 25461 3725 1 10 . 1 1 55 55 ARG N N 55 122.380 122.380 119.605 2.775 25461 3726 1 10 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.121 0.297 25461 3727 1 10 . 1 1 55 55 ARG C C 55 176.563 176.563 176.352 0.211 25461 3728 1 10 . 1 1 55 55 ARG CA C 55 56.289 56.289 58.013 -1.724 25461 3729 1 10 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.067 0.771 25461 3730 1 10 . 1 1 55 55 ARG H H 55 8.389 8.389 8.094 0.295 25461 3731 1 10 . 1 1 56 56 THR N N 56 114.693 114.693 115.917 -1.224 25461 3732 1 10 . 1 1 56 56 THR HA H 56 4.372 4.372 4.280 0.092 25461 3733 1 10 . 1 1 56 56 THR C C 56 175.062 175.062 174.725 0.337 25461 3734 1 10 . 1 1 56 56 THR CA C 56 61.926 61.926 62.425 -0.499 25461 3735 1 10 . 1 1 56 56 THR CB C 56 70.016 70.016 69.277 0.739 25461 3736 1 10 . 1 1 56 56 THR H H 56 8.204 8.204 7.844 0.360 25461 3737 1 10 . 1 1 57 57 GLY N N 57 111.042 111.042 110.173 0.869 25461 3738 1 10 . 1 1 57 57 GLY C C 57 173.868 173.868 174.176 -0.308 25461 3739 1 10 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.623 0.668 25461 3740 1 10 . 1 1 57 57 GLY H H 57 8.424 8.424 8.261 0.163 25461 3741 1 10 . 1 1 58 58 ARG N N 58 120.824 120.824 120.446 0.378 25461 3742 1 10 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.382 0.004 25461 3743 1 10 . 1 1 58 58 ARG C C 58 176.522 176.522 176.321 0.201 25461 3744 1 10 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.560 0.551 25461 3745 1 10 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.782 0.292 25461 3746 1 10 . 1 1 58 58 ARG H H 58 8.232 8.232 8.422 -0.190 25461 3747 1 10 . 1 1 59 59 VAL N N 59 121.437 121.437 124.472 -3.035 25461 3748 1 10 . 1 1 59 59 VAL HA H 59 4.120 4.120 3.942 0.178 25461 3749 1 10 . 1 1 59 59 VAL C C 59 176.022 176.022 176.191 -0.169 25461 3750 1 10 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.249 0.164 25461 3751 1 10 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.751 0.064 25461 3752 1 10 . 1 1 59 59 VAL H H 59 8.307 8.307 8.436 -0.129 25461 3753 1 10 . 1 1 60 60 ASN N N 60 122.487 122.487 121.740 0.747 25461 3754 1 10 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.838 -0.101 25461 3755 1 10 . 1 1 60 60 ASN C C 60 175.521 175.521 174.785 0.736 25461 3756 1 10 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.956 0.419 25461 3757 1 10 . 1 1 60 60 ASN CB C 60 39.098 39.098 39.505 -0.407 25461 3758 1 10 . 1 1 60 60 ASN H H 60 8.593 8.593 8.287 0.306 25461 3759 1 10 . 1 1 61 61 GLY N N 61 109.681 109.681 107.822 1.859 25461 3760 1 10 . 1 1 61 61 GLY C C 61 174.361 174.361 174.383 -0.022 25461 3761 1 10 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.909 0.590 25461 3762 1 10 . 1 1 61 61 GLY H H 61 8.407 8.407 8.222 0.185 25461 3763 1 10 . 1 1 62 62 GLY N N 62 108.197 108.197 108.351 -0.154 25461 3764 1 10 . 1 1 62 62 GLY C C 62 173.866 173.866 175.126 -1.260 25461 3765 1 10 . 1 1 62 62 GLY CA C 62 45.112 45.112 45.428 -0.316 25461 3766 1 10 . 1 1 62 62 GLY H H 62 8.209 8.209 8.304 -0.095 25461 3767 1 10 . 1 1 63 63 HIS N N 63 121.370 121.370 119.701 1.669 25461 3768 1 10 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.736 0.063 25461 3769 1 10 . 1 1 63 63 HIS C C 63 173.562 173.562 173.718 -0.156 25461 3770 1 10 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.133 0.713 25461 3771 1 10 . 1 1 63 63 HIS CB C 63 30.172 30.172 30.319 -0.146 25461 3772 1 10 . 1 1 63 63 HIS H H 63 8.587 8.587 8.100 0.487 25461 3773 1 10 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.489 -0.028 25461 3774 1 10 . 1 1 64 64 PRO C C 64 176.406 176.406 176.232 0.174 25461 3775 1 10 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.927 0.161 25461 3776 1 10 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.003 0.000 25461 3777 1 10 . 1 1 65 65 VAL N N 65 122.214 122.214 119.946 2.268 25461 3778 1 10 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.584 -0.230 25461 3779 1 10 . 1 1 65 65 VAL C C 65 176.217 176.217 175.933 0.284 25461 3780 1 10 . 1 1 65 65 VAL CA C 65 62.233 62.233 60.020 2.213 25461 3781 1 10 . 1 1 65 65 VAL CB C 65 34.354 34.354 33.653 0.701 25461 3782 1 10 . 1 1 65 65 VAL H H 65 8.436 8.436 8.276 0.160 25461 3783 1 10 . 1 1 66 66 THR N N 66 118.215 118.215 117.210 1.005 25461 3784 1 10 . 1 1 66 66 THR HA H 66 4.844 4.844 4.752 0.092 25461 3785 1 10 . 1 1 66 66 THR C C 66 175.632 175.632 175.564 0.068 25461 3786 1 10 . 1 1 66 66 THR CA C 66 59.250 59.250 59.764 -0.514 25461 3787 1 10 . 1 1 66 66 THR CB C 66 71.632 71.632 70.806 0.826 25461 3788 1 10 . 1 1 66 66 THR H H 66 7.765 7.765 8.124 -0.359 25461 3789 1 10 . 1 1 67 67 THR N N 67 116.809 116.809 117.927 -1.118 25461 3790 1 10 . 1 1 67 67 THR HA H 67 3.846 3.846 3.972 -0.126 25461 3791 1 10 . 1 1 67 67 THR C C 67 176.323 176.323 176.376 -0.053 25461 3792 1 10 . 1 1 67 67 THR CA C 67 66.206 66.206 66.303 -0.097 25461 3793 1 10 . 1 1 67 67 THR CB C 67 68.417 68.417 68.623 -0.206 25461 3794 1 10 . 1 1 67 67 THR H H 67 8.901 8.901 8.568 0.333 25461 3795 1 10 . 1 1 68 68 GLN N N 68 120.255 120.255 119.126 1.129 25461 3796 1 10 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.305 -0.222 25461 3797 1 10 . 1 1 68 68 GLN C C 68 179.056 179.056 178.283 0.773 25461 3798 1 10 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.636 1.018 25461 3799 1 10 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.799 0.132 25461 3800 1 10 . 1 1 68 68 GLN H H 68 8.290 8.290 8.830 -0.540 25461 3801 1 10 . 1 1 69 69 MET N N 69 120.434 120.434 119.605 0.829 25461 3802 1 10 . 1 1 69 69 MET HA H 69 3.918 3.918 4.151 -0.233 25461 3803 1 10 . 1 1 69 69 MET C C 69 177.390 177.390 178.450 -1.060 25461 3804 1 10 . 1 1 69 69 MET CA C 69 59.757 59.757 59.118 0.639 25461 3805 1 10 . 1 1 69 69 MET CB C 69 35.178 35.178 32.735 2.443 25461 3806 1 10 . 1 1 69 69 MET H H 69 7.718 7.718 7.840 -0.122 25461 3807 1 10 . 1 1 70 70 VAL N N 70 118.137 118.137 119.605 -1.468 25461 3808 1 10 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.486 -0.152 25461 3809 1 10 . 1 1 70 70 VAL C C 70 177.985 177.985 178.032 -0.047 25461 3810 1 10 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.984 -0.610 25461 3811 1 10 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.299 0.390 25461 3812 1 10 . 1 1 70 70 VAL H H 70 7.322 7.322 7.488 -0.166 25461 3813 1 10 . 1 1 71 71 GLU N N 71 118.717 118.717 118.198 0.519 25461 3814 1 10 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.971 -0.039 25461 3815 1 10 . 1 1 71 71 GLU C C 71 178.984 178.984 178.975 0.009 25461 3816 1 10 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.449 -0.121 25461 3817 1 10 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.881 0.701 25461 3818 1 10 . 1 1 71 71 GLU H H 71 8.446 8.446 8.654 -0.208 25461 3819 1 10 . 1 1 72 72 THR N N 72 116.413 116.413 117.553 -1.140 25461 3820 1 10 . 1 1 72 72 THR HA H 72 3.885 3.885 3.918 -0.033 25461 3821 1 10 . 1 1 72 72 THR C C 72 176.837 176.837 176.747 0.090 25461 3822 1 10 . 1 1 72 72 THR CA C 72 66.924 66.924 66.585 0.339 25461 3823 1 10 . 1 1 72 72 THR CB C 72 68.594 68.594 68.483 0.112 25461 3824 1 10 . 1 1 72 72 THR H H 72 8.055 8.055 7.886 0.169 25461 3825 1 10 . 1 1 73 73 VAL N N 73 119.440 119.440 121.395 -1.955 25461 3826 1 10 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.443 -0.082 25461 3827 1 10 . 1 1 73 73 VAL C C 73 177.119 177.119 177.718 -0.599 25461 3828 1 10 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.041 -0.568 25461 3829 1 10 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.436 -0.523 25461 3830 1 10 . 1 1 73 73 VAL H H 73 7.521 7.521 7.809 -0.288 25461 3831 1 10 . 1 1 74 74 GLN N N 74 120.105 120.105 119.022 1.083 25461 3832 1 10 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.934 -0.293 25461 3833 1 10 . 1 1 74 74 GLN C C 74 177.761 177.761 178.278 -0.517 25461 3834 1 10 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.575 0.149 25461 3835 1 10 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.308 0.989 25461 3836 1 10 . 1 1 74 74 GLN H H 74 8.884 8.884 8.459 0.425 25461 3837 1 10 . 1 1 75 75 ASN N N 75 113.460 113.460 117.791 -4.331 25461 3838 1 10 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.428 -0.066 25461 3839 1 10 . 1 1 75 75 ASN C C 75 176.122 176.122 177.655 -1.533 25461 3840 1 10 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.800 -0.309 25461 3841 1 10 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.484 0.488 25461 3842 1 10 . 1 1 75 75 ASN H H 75 7.472 7.472 8.393 -0.921 25461 3843 1 10 . 1 1 76 76 LEU N N 76 118.225 118.225 117.804 0.421 25461 3844 1 10 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.316 -0.009 25461 3845 1 10 . 1 1 76 76 LEU C C 76 175.358 175.358 176.304 -0.946 25461 3846 1 10 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.486 -1.108 25461 3847 1 10 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.612 0.824 25461 3848 1 10 . 1 1 76 76 LEU H H 76 7.130 7.130 7.584 -0.454 25461 3849 1 10 . 1 1 77 77 ALA N N 77 122.753 122.753 119.041 3.712 25461 3850 1 10 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.464 -0.018 25461 3851 1 10 . 1 1 77 77 ALA C C 77 173.976 173.976 174.653 -0.677 25461 3852 1 10 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.462 0.960 25461 3853 1 10 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.245 -0.862 25461 3854 1 10 . 1 1 77 77 ALA H H 77 7.784 7.784 7.950 -0.166 25461 3855 1 10 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.403 -0.017 25461 3856 1 10 . 1 1 78 78 PRO C C 78 177.311 177.311 176.598 0.713 25461 3857 1 10 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.498 1.100 25461 3858 1 10 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.709 0.432 25461 3859 1 10 . 1 1 79 79 ASN N N 79 111.571 111.571 116.563 -4.992 25461 3860 1 10 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.760 -0.006 25461 3861 1 10 . 1 1 79 79 ASN C C 79 175.765 175.765 174.734 1.031 25461 3862 1 10 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.336 -0.174 25461 3863 1 10 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.116 -1.234 25461 3864 1 10 . 1 1 79 79 ASN H H 79 7.868 7.868 8.320 -0.452 25461 3865 1 10 . 1 1 80 80 LEU N N 80 119.219 119.219 118.540 0.679 25461 3866 1 10 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.432 -0.064 25461 3867 1 10 . 1 1 80 80 LEU C C 80 175.715 175.715 174.751 0.964 25461 3868 1 10 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.267 0.582 25461 3869 1 10 . 1 1 80 80 LEU CB C 80 43.172 43.172 45.677 -2.505 25461 3870 1 10 . 1 1 80 80 LEU H H 80 7.176 7.176 7.204 -0.028 25461 3871 1 10 . 1 1 81 81 HIS N N 81 123.894 123.894 121.738 2.156 25461 3872 1 10 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.794 -0.052 25461 3873 1 10 . 1 1 81 81 HIS C C 81 176.185 176.185 174.499 1.686 25461 3874 1 10 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.460 0.032 25461 3875 1 10 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.731 0.445 25461 3876 1 10 . 1 1 81 81 HIS H H 81 9.023 9.023 8.222 0.801 25461 3877 1 10 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.236 -0.223 25461 3878 1 10 . 1 1 82 82 PRO C C 82 178.774 178.774 178.467 0.307 25461 3879 1 10 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.416 0.979 25461 3880 1 10 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.144 -0.109 25461 3881 1 10 . 1 1 83 83 GLU N N 83 120.128 120.128 118.989 1.139 25461 3882 1 10 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.202 0.208 25461 3883 1 10 . 1 1 83 83 GLU C C 83 181.651 181.651 178.838 2.813 25461 3884 1 10 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.216 0.013 25461 3885 1 10 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.491 -0.195 25461 3886 1 10 . 1 1 83 83 GLU H H 83 11.938 11.938 8.249 3.689 25461 3887 1 10 . 1 1 84 84 GLN N N 84 117.052 117.052 119.456 -2.404 25461 3888 1 10 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.895 0.086 25461 3889 1 10 . 1 1 84 84 GLN C C 84 179.958 179.958 178.636 1.322 25461 3890 1 10 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.585 0.365 25461 3891 1 10 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.454 2.216 25461 3892 1 10 . 1 1 84 84 GLN H H 84 7.467 7.467 7.415 0.052 25461 3893 1 10 . 1 1 85 85 ILE N N 85 120.448 120.448 120.522 -0.074 25461 3894 1 10 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.665 -0.332 25461 3895 1 10 . 1 1 85 85 ILE C C 85 176.960 176.960 177.458 -0.498 25461 3896 1 10 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.392 1.136 25461 3897 1 10 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.567 0.245 25461 3898 1 10 . 1 1 85 85 ILE H H 85 7.750 7.750 7.740 0.010 25461 3899 1 10 . 1 1 86 86 ARG N N 86 119.593 119.593 119.622 -0.029 25461 3900 1 10 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.844 -0.120 25461 3901 1 10 . 1 1 86 86 ARG C C 86 177.115 177.115 178.113 -0.998 25461 3902 1 10 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.856 0.963 25461 3903 1 10 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.622 0.604 25461 3904 1 10 . 1 1 86 86 ARG H H 86 8.868 8.868 7.591 1.277 25461 3905 1 10 . 1 1 87 87 TYR N N 87 116.869 116.869 119.602 -2.733 25461 3906 1 10 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.303 0.197 25461 3907 1 10 . 1 1 87 87 TYR C C 87 177.597 177.597 177.603 -0.006 25461 3908 1 10 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.517 -0.394 25461 3909 1 10 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.022 0.413 25461 3910 1 10 . 1 1 87 87 TYR H H 87 7.684 7.684 8.306 -0.622 25461 3911 1 10 . 1 1 88 88 SER N N 88 110.655 110.655 116.096 -5.441 25461 3912 1 10 . 1 1 88 88 SER HA H 88 4.155 4.155 3.794 0.361 25461 3913 1 10 . 1 1 88 88 SER C C 88 177.666 177.666 176.642 1.024 25461 3914 1 10 . 1 1 88 88 SER CA C 88 61.207 61.207 62.644 -1.437 25461 3915 1 10 . 1 1 88 88 SER CB C 88 62.880 62.880 62.877 0.003 25461 3916 1 10 . 1 1 88 88 SER H H 88 7.510 7.510 8.302 -0.792 25461 3917 1 10 . 1 1 89 89 LEU N N 89 119.356 119.356 122.055 -2.699 25461 3918 1 10 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.063 0.130 25461 3919 1 10 . 1 1 89 89 LEU C C 89 180.057 180.057 179.773 0.284 25461 3920 1 10 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.928 -0.551 25461 3921 1 10 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.618 1.727 25461 3922 1 10 . 1 1 89 89 LEU H H 89 8.522 8.522 8.787 -0.265 25461 3923 1 10 . 1 1 90 90 GLU N N 90 120.190 120.190 119.171 1.019 25461 3924 1 10 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.190 -0.074 25461 3925 1 10 . 1 1 90 90 GLU C C 90 177.812 177.812 179.232 -1.420 25461 3926 1 10 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.539 -0.497 25461 3927 1 10 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.250 0.742 25461 3928 1 10 . 1 1 90 90 GLU H H 90 8.511 8.511 7.926 0.585 25461 3929 1 10 . 1 1 91 91 ASN N N 91 115.736 115.736 117.993 -2.257 25461 3930 1 10 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.498 0.188 25461 3931 1 10 . 1 1 91 91 ASN C C 91 177.109 177.109 177.991 -0.882 25461 3932 1 10 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.115 -0.425 25461 3933 1 10 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.717 1.769 25461 3934 1 10 . 1 1 91 91 ASN H H 91 7.465 7.465 7.829 -0.364 25461 3935 1 10 . 1 1 92 92 THR N N 92 110.330 110.330 111.233 -0.903 25461 3936 1 10 . 1 1 92 92 THR HA H 92 4.142 4.142 4.185 -0.043 25461 3937 1 10 . 1 1 92 92 THR C C 92 176.599 176.599 176.217 0.382 25461 3938 1 10 . 1 1 92 92 THR CA C 92 62.581 62.581 64.360 -1.779 25461 3939 1 10 . 1 1 92 92 THR CB C 92 70.198 70.198 69.354 0.844 25461 3940 1 10 . 1 1 92 92 THR H H 92 9.251 9.251 8.152 1.099 25461 3941 1 10 . 1 1 93 93 GLY N N 93 112.211 112.211 110.252 1.959 25461 3942 1 10 . 1 1 93 93 GLY C C 93 174.132 174.132 173.376 0.756 25461 3943 1 10 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.225 0.446 25461 3944 1 10 . 1 1 93 93 GLY H H 93 8.682 8.682 8.190 0.492 25461 3945 1 10 . 1 1 94 94 SER N N 94 111.808 111.808 114.606 -2.798 25461 3946 1 10 . 1 1 94 94 SER HA H 94 4.784 4.784 4.610 0.174 25461 3947 1 10 . 1 1 94 94 SER C C 94 173.862 173.862 174.909 -1.047 25461 3948 1 10 . 1 1 94 94 SER CA C 94 56.221 56.221 56.412 -0.191 25461 3949 1 10 . 1 1 94 94 SER CB C 94 64.454 64.454 64.473 -0.019 25461 3950 1 10 . 1 1 94 94 SER H H 94 8.058 8.058 7.572 0.486 25461 3951 1 10 . 1 1 95 95 VAL N N 95 129.818 129.818 128.282 1.536 25461 3952 1 10 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.620 -0.263 25461 3953 1 10 . 1 1 95 95 VAL C C 95 176.909 176.909 177.274 -0.365 25461 3954 1 10 . 1 1 95 95 VAL CA C 95 66.806 66.806 65.809 0.997 25461 3955 1 10 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.730 0.589 25461 3956 1 10 . 1 1 95 95 VAL H H 95 8.983 8.983 8.779 0.204 25461 3957 1 10 . 1 1 96 96 GLU N N 96 117.745 117.745 118.843 -1.098 25461 3958 1 10 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.873 -0.049 25461 3959 1 10 . 1 1 96 96 GLU C C 96 179.126 179.126 178.182 0.944 25461 3960 1 10 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.388 1.437 25461 3961 1 10 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.954 0.055 25461 3962 1 10 . 1 1 96 96 GLU H H 96 8.673 8.673 8.387 0.286 25461 3963 1 10 . 1 1 97 97 GLU N N 97 120.049 120.049 119.510 0.539 25461 3964 1 10 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.142 0.004 25461 3965 1 10 . 1 1 97 97 GLU C C 97 178.947 178.947 178.923 0.024 25461 3966 1 10 . 1 1 97 97 GLU CA C 97 58.941 58.941 58.857 0.084 25461 3967 1 10 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.206 0.537 25461 3968 1 10 . 1 1 97 97 GLU H H 97 8.125 8.125 8.073 0.052 25461 3969 1 10 . 1 1 98 98 THR N N 98 118.623 118.623 116.536 2.087 25461 3970 1 10 . 1 1 98 98 THR HA H 98 3.805 3.805 4.059 -0.254 25461 3971 1 10 . 1 1 98 98 THR C C 98 175.676 175.676 176.743 -1.067 25461 3972 1 10 . 1 1 98 98 THR CA C 98 70.162 70.162 67.299 2.863 25461 3973 1 10 . 1 1 98 98 THR CB C 98 69.317 69.317 68.684 0.633 25461 3974 1 10 . 1 1 98 98 THR H H 98 8.038 8.038 7.395 0.643 25461 3975 1 10 . 1 1 99 99 VAL N N 99 120.683 120.683 121.134 -0.451 25461 3976 1 10 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.759 -0.218 25461 3977 1 10 . 1 1 99 99 VAL C C 99 177.456 177.456 177.704 -0.248 25461 3978 1 10 . 1 1 99 99 VAL CA C 99 67.924 67.924 67.103 0.821 25461 3979 1 10 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.423 0.143 25461 3980 1 10 . 1 1 99 99 VAL H H 99 8.724 8.724 8.421 0.303 25461 3981 1 10 . 1 1 100 100 GLU N N 100 120.914 120.914 119.613 1.301 25461 3982 1 10 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.129 -0.115 25461 3983 1 10 . 1 1 100 100 GLU C C 100 179.857 179.857 179.305 0.552 25461 3984 1 10 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.604 0.616 25461 3985 1 10 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.425 -0.217 25461 3986 1 10 . 1 1 100 100 GLU H H 100 8.324 8.324 7.932 0.392 25461 3987 1 10 . 1 1 101 101 ARG N N 101 118.451 118.451 118.208 0.243 25461 3988 1 10 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.188 -0.315 25461 3989 1 10 . 1 1 101 101 ARG C C 101 178.078 178.078 178.413 -0.335 25461 3990 1 10 . 1 1 101 101 ARG CA C 101 59.978 59.978 59.032 0.946 25461 3991 1 10 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.846 0.100 25461 3992 1 10 . 1 1 101 101 ARG H H 101 8.197 8.197 8.407 -0.210 25461 3993 1 10 . 1 1 102 102 TYR N N 102 119.888 119.888 123.846 -3.958 25461 3994 1 10 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.322 0.153 25461 3995 1 10 . 1 1 102 102 TYR C C 102 180.056 180.056 177.865 2.191 25461 3996 1 10 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.007 0.519 25461 3997 1 10 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.388 -0.872 25461 3998 1 10 . 1 1 102 102 TYR H H 102 8.180 8.180 8.431 -0.251 25461 3999 1 10 . 1 1 103 103 LEU N N 103 122.091 122.091 118.720 3.371 25461 4000 1 10 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.528 0.303 25461 4001 1 10 . 1 1 103 103 LEU C C 103 178.973 178.973 177.503 1.470 25461 4002 1 10 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.231 0.194 25461 4003 1 10 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.044 0.578 25461 4004 1 10 . 1 1 103 103 LEU H H 103 9.050 9.050 8.049 1.001 25461 4005 1 10 . 1 1 104 104 ARG N N 104 116.388 116.388 118.711 -2.323 25461 4006 1 10 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.301 0.075 25461 4007 1 10 . 1 1 104 104 ARG C C 104 176.877 176.877 177.267 -0.390 25461 4008 1 10 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.448 1.124 25461 4009 1 10 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.089 0.389 25461 4010 1 10 . 1 1 104 104 ARG H H 104 7.888 7.888 7.303 0.585 25461 4011 1 10 . 1 1 105 105 GLY N N 105 107.432 107.432 110.063 -2.631 25461 4012 1 10 . 1 1 105 105 GLY C C 105 174.796 174.796 174.916 -0.120 25461 4013 1 10 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.477 -0.145 25461 4014 1 10 . 1 1 105 105 GLY H H 105 7.688 7.688 7.995 -0.307 25461 4015 1 10 . 1 1 106 106 ASP N N 106 121.505 121.505 120.209 1.296 25461 4016 1 10 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.644 -0.263 25461 4017 1 10 . 1 1 106 106 ASP C C 106 175.595 175.595 176.626 -1.031 25461 4018 1 10 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.132 0.905 25461 4019 1 10 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.331 -1.760 25461 4020 1 10 . 1 1 106 106 ASP H H 106 7.878 7.878 8.264 -0.386 25461 4021 1 10 . 1 1 107 107 GLU N N 107 119.581 119.581 119.004 0.577 25461 4022 1 10 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.511 -0.129 25461 4023 1 10 . 1 1 107 107 GLU C C 107 177.123 177.123 175.718 1.405 25461 4024 1 10 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.346 0.129 25461 4025 1 10 . 1 1 107 107 GLU CB C 107 30.522 30.522 29.997 0.525 25461 4026 1 10 . 1 1 107 107 GLU H H 107 8.394 8.394 8.529 -0.135 25461 4027 1 10 . 1 1 108 108 PHE N N 108 126.975 126.975 123.361 3.614 25461 4028 1 10 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.906 -0.284 25461 4029 1 10 . 1 1 108 108 PHE C C 108 176.186 176.186 175.663 0.523 25461 4030 1 10 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.225 0.005 25461 4031 1 10 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.923 -0.679 25461 4032 1 10 . 1 1 108 108 PHE H H 108 9.373 9.373 8.846 0.527 25461 4033 1 10 . 1 1 109 109 SER N N 109 121.198 121.198 118.935 2.263 25461 4034 1 10 . 1 1 109 109 SER HA H 109 4.582 4.582 4.714 -0.132 25461 4035 1 10 . 1 1 109 109 SER C C 109 175.060 175.060 173.496 1.564 25461 4036 1 10 . 1 1 109 109 SER CA C 109 58.928 58.928 57.399 1.529 25461 4037 1 10 . 1 1 109 109 SER CB C 109 64.213 64.213 64.897 -0.685 25461 4038 1 10 . 1 1 109 109 SER H H 109 8.694 8.694 8.699 -0.005 25461 4039 1 10 . 1 1 110 110 PHE N N 110 121.734 121.734 120.020 1.714 25461 4040 1 10 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.342 -0.155 25461 4041 1 10 . 1 1 110 110 PHE C C 110 172.930 172.930 173.993 -1.063 25461 4042 1 10 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.829 1.920 25461 4043 1 10 . 1 1 110 110 PHE CB C 110 38.497 38.497 38.606 -0.109 25461 4044 1 10 . 1 1 110 110 PHE H H 110 8.965 8.965 8.380 0.585 25461 4045 1 10 . 1 1 111 111 PRO HA H 111 3.349 3.349 4.310 -0.961 25461 4046 1 10 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.557 -0.485 25461 4047 1 10 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.221 0.097 25461 4048 1 10 . 1 1 112 112 PRO C C 112 177.703 177.703 178.147 -0.444 25461 4049 1 10 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.795 -0.206 25461 4050 1 10 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.476 0.282 25461 4051 1 10 . 1 1 113 113 GLY N N 113 110.960 110.960 110.144 0.816 25461 4052 1 10 . 1 1 113 113 GLY C C 113 174.074 174.074 175.164 -1.090 25461 4053 1 10 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.203 -0.043 25461 4054 1 10 . 1 1 113 113 GLY H H 113 8.682 8.682 8.811 -0.129 25461 4055 1 10 . 1 1 114 114 PHE N N 114 120.992 120.992 120.451 0.541 25461 4056 1 10 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.365 -0.055 25461 4057 1 10 . 1 1 114 114 PHE C C 114 174.567 174.567 175.806 -1.239 25461 4058 1 10 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.221 -0.897 25461 4059 1 10 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.798 0.351 25461 4060 1 10 . 1 1 114 114 PHE H H 114 7.771 7.771 7.873 -0.102 25461 4061 1 11 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.573 -0.216 25461 4062 1 11 . 1 1 42 42 ALA C C 42 177.825 177.825 176.764 1.061 25461 4063 1 11 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.556 0.118 25461 4064 1 11 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.149 0.303 25461 4065 1 11 . 1 1 43 43 MET N N 43 119.667 119.667 121.573 -1.906 25461 4066 1 11 . 1 1 43 43 MET HA H 43 4.549 4.549 4.804 -0.255 25461 4067 1 11 . 1 1 43 43 MET C C 43 176.478 176.478 174.920 1.558 25461 4068 1 11 . 1 1 43 43 MET CA C 43 55.344 55.344 55.451 -0.107 25461 4069 1 11 . 1 1 43 43 MET CB C 43 33.129 33.129 34.674 -1.545 25461 4070 1 11 . 1 1 43 43 MET H H 43 8.507 8.507 8.317 0.190 25461 4071 1 11 . 1 1 44 44 GLY N N 44 110.244 110.244 110.851 -0.607 25461 4072 1 11 . 1 1 44 44 GLY C C 44 172.009 172.009 171.725 0.284 25461 4073 1 11 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.531 0.111 25461 4074 1 11 . 1 1 44 44 GLY H H 44 8.251 8.251 8.977 -0.726 25461 4075 1 11 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.603 -0.170 25461 4076 1 11 . 1 1 45 45 PRO C C 45 177.510 177.510 175.831 1.679 25461 4077 1 11 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.469 0.936 25461 4078 1 11 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.806 -0.700 25461 4079 1 11 . 1 1 46 46 GLN N N 46 120.607 120.607 119.862 0.745 25461 4080 1 11 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.462 -0.116 25461 4081 1 11 . 1 1 46 46 GLN C C 46 176.687 176.687 175.406 1.281 25461 4082 1 11 . 1 1 46 46 GLN CA C 46 56.056 56.056 54.508 1.548 25461 4083 1 11 . 1 1 46 46 GLN CB C 46 29.423 29.423 30.119 -0.696 25461 4084 1 11 . 1 1 46 46 GLN H H 46 8.628 8.628 8.353 0.275 25461 4085 1 11 . 1 1 47 47 GLY N N 47 110.011 110.011 107.548 2.463 25461 4086 1 11 . 1 1 47 47 GLY C C 47 174.308 174.308 174.104 0.204 25461 4087 1 11 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.631 0.803 25461 4088 1 11 . 1 1 47 47 GLY H H 47 8.411 8.411 8.353 0.058 25461 4089 1 11 . 1 1 48 48 SER N N 48 115.646 115.646 116.248 -0.602 25461 4090 1 11 . 1 1 48 48 SER HA H 48 4.542 4.542 4.451 0.091 25461 4091 1 11 . 1 1 48 48 SER C C 48 175.288 175.288 173.873 1.415 25461 4092 1 11 . 1 1 48 48 SER CA C 48 58.437 58.437 59.588 -1.151 25461 4093 1 11 . 1 1 48 48 SER CB C 48 63.965 63.965 63.139 0.826 25461 4094 1 11 . 1 1 48 48 SER H H 48 8.284 8.284 8.538 -0.254 25461 4095 1 11 . 1 1 49 49 THR N N 49 115.928 115.928 113.118 2.810 25461 4096 1 11 . 1 1 49 49 THR HA H 49 4.343 4.343 4.261 0.082 25461 4097 1 11 . 1 1 49 49 THR C C 49 174.948 174.948 172.065 2.883 25461 4098 1 11 . 1 1 49 49 THR CA C 49 62.294 62.294 62.188 0.106 25461 4099 1 11 . 1 1 49 49 THR CB C 49 69.614 69.614 69.273 0.341 25461 4100 1 11 . 1 1 49 49 THR H H 49 8.282 8.282 7.396 0.886 25461 4101 1 11 . 1 1 50 50 GLN N N 50 122.155 122.155 121.401 0.754 25461 4102 1 11 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.603 -0.216 25461 4103 1 11 . 1 1 50 50 GLN C C 50 176.071 176.071 174.565 1.506 25461 4104 1 11 . 1 1 50 50 GLN CA C 50 56.390 56.390 54.799 1.591 25461 4105 1 11 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.676 -0.450 25461 4106 1 11 . 1 1 50 50 GLN H H 50 8.401 8.401 8.209 0.192 25461 4107 1 11 . 1 1 51 51 ASN N N 51 119.604 119.604 121.119 -1.515 25461 4108 1 11 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.659 -0.021 25461 4109 1 11 . 1 1 51 51 ASN C C 51 175.275 175.275 174.370 0.905 25461 4110 1 11 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.431 0.219 25461 4111 1 11 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.908 -0.051 25461 4112 1 11 . 1 1 51 51 ASN H H 51 8.395 8.395 8.514 -0.119 25461 4113 1 11 . 1 1 52 52 ALA N N 52 124.054 124.054 124.271 -0.217 25461 4114 1 11 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.524 -0.262 25461 4115 1 11 . 1 1 52 52 ALA C C 52 177.915 177.915 176.061 1.854 25461 4116 1 11 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.455 1.636 25461 4117 1 11 . 1 1 52 52 ALA CB C 52 19.174 19.174 20.494 -1.320 25461 4118 1 11 . 1 1 52 52 ALA H H 52 8.227 8.227 8.293 -0.066 25461 4119 1 11 . 1 1 53 53 LEU N N 53 120.325 120.325 121.281 -0.956 25461 4120 1 11 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.333 -0.041 25461 4121 1 11 . 1 1 53 53 LEU C C 53 177.531 177.531 176.557 0.974 25461 4122 1 11 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.436 1.007 25461 4123 1 11 . 1 1 53 53 LEU CB C 53 42.207 42.207 43.276 -1.069 25461 4124 1 11 . 1 1 53 53 LEU H H 53 8.097 8.097 8.257 -0.160 25461 4125 1 11 . 1 1 54 54 ARG N N 54 121.409 121.409 122.476 -1.067 25461 4126 1 11 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.106 0.227 25461 4127 1 11 . 1 1 54 54 ARG C C 54 176.332 176.332 176.784 -0.452 25461 4128 1 11 . 1 1 54 54 ARG CA C 54 56.187 56.187 57.768 -1.581 25461 4129 1 11 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.634 0.102 25461 4130 1 11 . 1 1 54 54 ARG H H 54 8.155 8.155 8.395 -0.240 25461 4131 1 11 . 1 1 55 55 ARG N N 55 122.380 122.380 120.531 1.849 25461 4132 1 11 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.105 0.313 25461 4133 1 11 . 1 1 55 55 ARG C C 55 176.563 176.563 176.199 0.364 25461 4134 1 11 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.553 -0.264 25461 4135 1 11 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.032 1.806 25461 4136 1 11 . 1 1 55 55 ARG H H 55 8.389 8.389 8.702 -0.313 25461 4137 1 11 . 1 1 56 56 THR N N 56 114.693 114.693 112.828 1.865 25461 4138 1 11 . 1 1 56 56 THR HA H 56 4.372 4.372 4.166 0.206 25461 4139 1 11 . 1 1 56 56 THR C C 56 175.062 175.062 175.045 0.017 25461 4140 1 11 . 1 1 56 56 THR CA C 56 61.926 61.926 63.651 -1.725 25461 4141 1 11 . 1 1 56 56 THR CB C 56 70.016 70.016 69.285 0.731 25461 4142 1 11 . 1 1 56 56 THR H H 56 8.204 8.204 8.239 -0.035 25461 4143 1 11 . 1 1 57 57 GLY N N 57 111.042 111.042 107.370 3.672 25461 4144 1 11 . 1 1 57 57 GLY C C 57 173.868 173.868 173.182 0.686 25461 4145 1 11 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.510 0.781 25461 4146 1 11 . 1 1 57 57 GLY H H 57 8.424 8.424 7.579 0.845 25461 4147 1 11 . 1 1 58 58 ARG N N 58 120.824 120.824 118.949 1.875 25461 4148 1 11 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.722 -0.336 25461 4149 1 11 . 1 1 58 58 ARG C C 58 176.522 176.522 175.207 1.315 25461 4150 1 11 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.513 0.598 25461 4151 1 11 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.748 0.326 25461 4152 1 11 . 1 1 58 58 ARG H H 58 8.232 8.232 8.391 -0.159 25461 4153 1 11 . 1 1 59 59 VAL N N 59 121.437 121.437 119.915 1.522 25461 4154 1 11 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.321 -0.201 25461 4155 1 11 . 1 1 59 59 VAL C C 59 176.022 176.022 174.611 1.411 25461 4156 1 11 . 1 1 59 59 VAL CA C 59 62.413 62.413 60.719 1.694 25461 4157 1 11 . 1 1 59 59 VAL CB C 59 32.815 32.815 34.174 -1.359 25461 4158 1 11 . 1 1 59 59 VAL H H 59 8.307 8.307 8.217 0.090 25461 4159 1 11 . 1 1 60 60 ASN N N 60 122.487 122.487 121.205 1.282 25461 4160 1 11 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.888 -0.151 25461 4161 1 11 . 1 1 60 60 ASN C C 60 175.521 175.521 174.661 0.860 25461 4162 1 11 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.821 -0.446 25461 4163 1 11 . 1 1 60 60 ASN CB C 60 39.098 39.098 38.770 0.328 25461 4164 1 11 . 1 1 60 60 ASN H H 60 8.593 8.593 8.433 0.160 25461 4165 1 11 . 1 1 61 61 GLY N N 61 109.681 109.681 108.964 0.717 25461 4166 1 11 . 1 1 61 61 GLY C C 61 174.361 174.361 173.982 0.379 25461 4167 1 11 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.707 0.792 25461 4168 1 11 . 1 1 61 61 GLY H H 61 8.407 8.407 8.262 0.145 25461 4169 1 11 . 1 1 62 62 GLY N N 62 108.197 108.197 112.200 -4.003 25461 4170 1 11 . 1 1 62 62 GLY C C 62 173.866 173.866 173.447 0.419 25461 4171 1 11 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.806 0.306 25461 4172 1 11 . 1 1 62 62 GLY H H 62 8.209 8.209 7.920 0.289 25461 4173 1 11 . 1 1 63 63 HIS N N 63 121.370 121.370 122.351 -0.981 25461 4174 1 11 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.051 -0.252 25461 4175 1 11 . 1 1 63 63 HIS C C 63 173.562 173.562 173.738 -0.176 25461 4176 1 11 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.693 1.153 25461 4177 1 11 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.823 -1.651 25461 4178 1 11 . 1 1 63 63 HIS H H 63 8.587 8.587 8.280 0.307 25461 4179 1 11 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.518 -0.057 25461 4180 1 11 . 1 1 64 64 PRO C C 64 176.406 176.406 176.282 0.124 25461 4181 1 11 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.927 0.161 25461 4182 1 11 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.370 -0.367 25461 4183 1 11 . 1 1 65 65 VAL N N 65 122.214 122.214 116.482 5.732 25461 4184 1 11 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.747 -0.393 25461 4185 1 11 . 1 1 65 65 VAL C C 65 176.217 176.217 175.350 0.867 25461 4186 1 11 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.476 2.757 25461 4187 1 11 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.257 0.097 25461 4188 1 11 . 1 1 65 65 VAL H H 65 8.436 8.436 8.256 0.180 25461 4189 1 11 . 1 1 66 66 THR N N 66 118.215 118.215 111.821 6.394 25461 4190 1 11 . 1 1 66 66 THR HA H 66 4.844 4.844 4.758 0.086 25461 4191 1 11 . 1 1 66 66 THR C C 66 175.632 175.632 174.802 0.830 25461 4192 1 11 . 1 1 66 66 THR CA C 66 59.250 59.250 59.982 -0.732 25461 4193 1 11 . 1 1 66 66 THR CB C 66 71.632 71.632 71.561 0.072 25461 4194 1 11 . 1 1 66 66 THR H H 66 7.765 7.765 7.895 -0.130 25461 4195 1 11 . 1 1 67 67 THR N N 67 116.809 116.809 117.086 -0.277 25461 4196 1 11 . 1 1 67 67 THR HA H 67 3.846 3.846 3.944 -0.098 25461 4197 1 11 . 1 1 67 67 THR C C 67 176.323 176.323 176.410 -0.087 25461 4198 1 11 . 1 1 67 67 THR CA C 67 66.206 66.206 65.860 0.346 25461 4199 1 11 . 1 1 67 67 THR CB C 67 68.417 68.417 68.517 -0.100 25461 4200 1 11 . 1 1 67 67 THR H H 67 8.901 8.901 8.564 0.337 25461 4201 1 11 . 1 1 68 68 GLN N N 68 120.255 120.255 119.706 0.549 25461 4202 1 11 . 1 1 68 68 GLN HA H 68 4.083 4.083 3.993 0.090 25461 4203 1 11 . 1 1 68 68 GLN C C 68 179.056 179.056 177.945 1.111 25461 4204 1 11 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.943 0.711 25461 4205 1 11 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.560 0.371 25461 4206 1 11 . 1 1 68 68 GLN H H 68 8.290 8.290 8.897 -0.607 25461 4207 1 11 . 1 1 69 69 MET N N 69 120.434 120.434 118.674 1.760 25461 4208 1 11 . 1 1 69 69 MET HA H 69 3.918 3.918 4.155 -0.237 25461 4209 1 11 . 1 1 69 69 MET C C 69 177.390 177.390 178.257 -0.867 25461 4210 1 11 . 1 1 69 69 MET CA C 69 59.757 59.757 58.793 0.964 25461 4211 1 11 . 1 1 69 69 MET CB C 69 35.178 35.178 32.380 2.798 25461 4212 1 11 . 1 1 69 69 MET H H 69 7.718 7.718 7.724 -0.006 25461 4213 1 11 . 1 1 70 70 VAL N N 70 118.137 118.137 119.936 -1.799 25461 4214 1 11 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.564 -0.230 25461 4215 1 11 . 1 1 70 70 VAL C C 70 177.985 177.985 178.055 -0.070 25461 4216 1 11 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.403 -0.029 25461 4217 1 11 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.657 1.032 25461 4218 1 11 . 1 1 70 70 VAL H H 70 7.322 7.322 7.657 -0.335 25461 4219 1 11 . 1 1 71 71 GLU N N 71 118.717 118.717 119.061 -0.344 25461 4220 1 11 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.920 0.012 25461 4221 1 11 . 1 1 71 71 GLU C C 71 178.984 178.984 179.117 -0.133 25461 4222 1 11 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.584 -0.256 25461 4223 1 11 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.857 0.725 25461 4224 1 11 . 1 1 71 71 GLU H H 71 8.446 8.446 8.161 0.285 25461 4225 1 11 . 1 1 72 72 THR N N 72 116.413 116.413 117.522 -1.109 25461 4226 1 11 . 1 1 72 72 THR HA H 72 3.885 3.885 3.915 -0.030 25461 4227 1 11 . 1 1 72 72 THR C C 72 176.837 176.837 176.785 0.052 25461 4228 1 11 . 1 1 72 72 THR CA C 72 66.924 66.924 66.626 0.298 25461 4229 1 11 . 1 1 72 72 THR CB C 72 68.594 68.594 68.810 -0.216 25461 4230 1 11 . 1 1 72 72 THR H H 72 8.055 8.055 8.015 0.040 25461 4231 1 11 . 1 1 73 73 VAL N N 73 119.440 119.440 121.013 -1.573 25461 4232 1 11 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.520 -0.159 25461 4233 1 11 . 1 1 73 73 VAL C C 73 177.119 177.119 177.863 -0.744 25461 4234 1 11 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.795 -0.322 25461 4235 1 11 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.027 -0.114 25461 4236 1 11 . 1 1 73 73 VAL H H 73 7.521 7.521 7.787 -0.266 25461 4237 1 11 . 1 1 74 74 GLN N N 74 120.105 120.105 118.995 1.110 25461 4238 1 11 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.835 -0.194 25461 4239 1 11 . 1 1 74 74 GLN C C 74 177.761 177.761 178.496 -0.735 25461 4240 1 11 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.507 0.217 25461 4241 1 11 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.331 0.966 25461 4242 1 11 . 1 1 74 74 GLN H H 74 8.884 8.884 8.429 0.455 25461 4243 1 11 . 1 1 75 75 ASN N N 75 113.460 113.460 117.712 -4.252 25461 4244 1 11 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.441 -0.079 25461 4245 1 11 . 1 1 75 75 ASN C C 75 176.122 176.122 177.541 -1.419 25461 4246 1 11 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.748 -0.257 25461 4247 1 11 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.534 0.438 25461 4248 1 11 . 1 1 75 75 ASN H H 75 7.472 7.472 8.268 -0.796 25461 4249 1 11 . 1 1 76 76 LEU N N 76 118.225 118.225 116.754 1.471 25461 4250 1 11 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.416 -0.109 25461 4251 1 11 . 1 1 76 76 LEU C C 76 175.358 175.358 176.017 -0.659 25461 4252 1 11 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.755 -0.377 25461 4253 1 11 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.598 0.838 25461 4254 1 11 . 1 1 76 76 LEU H H 76 7.130 7.130 7.527 -0.397 25461 4255 1 11 . 1 1 77 77 ALA N N 77 122.753 122.753 119.456 3.297 25461 4256 1 11 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.622 -0.176 25461 4257 1 11 . 1 1 77 77 ALA C C 77 173.976 173.976 174.884 -0.908 25461 4258 1 11 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.265 0.157 25461 4259 1 11 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.418 -1.035 25461 4260 1 11 . 1 1 77 77 ALA H H 77 7.784 7.784 7.787 -0.003 25461 4261 1 11 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.357 0.029 25461 4262 1 11 . 1 1 78 78 PRO C C 78 177.311 177.311 177.058 0.253 25461 4263 1 11 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.261 0.337 25461 4264 1 11 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.882 0.259 25461 4265 1 11 . 1 1 79 79 ASN N N 79 111.571 111.571 115.370 -3.799 25461 4266 1 11 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.658 0.096 25461 4267 1 11 . 1 1 79 79 ASN C C 79 175.765 175.765 175.823 -0.058 25461 4268 1 11 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.793 -0.631 25461 4269 1 11 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.236 -1.354 25461 4270 1 11 . 1 1 79 79 ASN H H 79 7.868 7.868 7.963 -0.095 25461 4271 1 11 . 1 1 80 80 LEU N N 80 119.219 119.219 118.783 0.436 25461 4272 1 11 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.222 0.146 25461 4273 1 11 . 1 1 80 80 LEU C C 80 175.715 175.715 175.689 0.026 25461 4274 1 11 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.934 -0.085 25461 4275 1 11 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.137 0.035 25461 4276 1 11 . 1 1 80 80 LEU H H 80 7.176 7.176 7.368 -0.192 25461 4277 1 11 . 1 1 81 81 HIS N N 81 123.894 123.894 121.343 2.551 25461 4278 1 11 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.744 -0.002 25461 4279 1 11 . 1 1 81 81 HIS C C 81 176.185 176.185 174.668 1.517 25461 4280 1 11 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.968 0.524 25461 4281 1 11 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.513 0.663 25461 4282 1 11 . 1 1 81 81 HIS H H 81 9.023 9.023 8.117 0.906 25461 4283 1 11 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.318 -0.305 25461 4284 1 11 . 1 1 82 82 PRO C C 82 178.774 178.774 178.506 0.268 25461 4285 1 11 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.475 0.920 25461 4286 1 11 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.279 -0.244 25461 4287 1 11 . 1 1 83 83 GLU N N 83 120.128 120.128 118.833 1.295 25461 4288 1 11 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.284 0.126 25461 4289 1 11 . 1 1 83 83 GLU C C 83 181.651 181.651 178.992 2.659 25461 4290 1 11 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.998 0.231 25461 4291 1 11 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.413 -0.117 25461 4292 1 11 . 1 1 83 83 GLU H H 83 11.938 11.938 8.533 3.405 25461 4293 1 11 . 1 1 84 84 GLN N N 84 117.052 117.052 119.675 -2.623 25461 4294 1 11 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.893 0.088 25461 4295 1 11 . 1 1 84 84 GLN C C 84 179.958 179.958 178.525 1.433 25461 4296 1 11 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.634 0.316 25461 4297 1 11 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.486 2.183 25461 4298 1 11 . 1 1 84 84 GLN H H 84 7.467 7.467 7.598 -0.131 25461 4299 1 11 . 1 1 85 85 ILE N N 85 120.448 120.448 120.937 -0.489 25461 4300 1 11 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.729 -0.396 25461 4301 1 11 . 1 1 85 85 ILE C C 85 176.960 176.960 178.725 -1.765 25461 4302 1 11 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.242 1.286 25461 4303 1 11 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.711 0.101 25461 4304 1 11 . 1 1 85 85 ILE H H 85 7.750 7.750 7.814 -0.064 25461 4305 1 11 . 1 1 86 86 ARG N N 86 119.593 119.593 119.893 -0.300 25461 4306 1 11 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.902 -0.179 25461 4307 1 11 . 1 1 86 86 ARG C C 86 177.115 177.115 178.231 -1.116 25461 4308 1 11 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.460 1.359 25461 4309 1 11 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.649 0.577 25461 4310 1 11 . 1 1 86 86 ARG H H 86 8.868 8.868 7.649 1.219 25461 4311 1 11 . 1 1 87 87 TYR N N 87 116.869 116.869 119.926 -3.057 25461 4312 1 11 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.296 0.204 25461 4313 1 11 . 1 1 87 87 TYR C C 87 177.597 177.597 178.154 -0.557 25461 4314 1 11 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.791 -0.668 25461 4315 1 11 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.217 0.218 25461 4316 1 11 . 1 1 87 87 TYR H H 87 7.684 7.684 7.920 -0.236 25461 4317 1 11 . 1 1 88 88 SER N N 88 110.655 110.655 115.840 -5.185 25461 4318 1 11 . 1 1 88 88 SER HA H 88 4.155 4.155 3.992 0.163 25461 4319 1 11 . 1 1 88 88 SER C C 88 177.666 177.666 176.706 0.960 25461 4320 1 11 . 1 1 88 88 SER CA C 88 61.207 61.207 61.776 -0.569 25461 4321 1 11 . 1 1 88 88 SER CB C 88 62.880 62.880 62.477 0.403 25461 4322 1 11 . 1 1 88 88 SER H H 88 7.510 7.510 8.460 -0.950 25461 4323 1 11 . 1 1 89 89 LEU N N 89 119.356 119.356 123.398 -4.042 25461 4324 1 11 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.154 0.039 25461 4325 1 11 . 1 1 89 89 LEU C C 89 180.057 180.057 179.954 0.103 25461 4326 1 11 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.859 -0.482 25461 4327 1 11 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.526 1.819 25461 4328 1 11 . 1 1 89 89 LEU H H 89 8.522 8.522 8.599 -0.077 25461 4329 1 11 . 1 1 90 90 GLU N N 90 120.190 120.190 119.000 1.190 25461 4330 1 11 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.220 -0.104 25461 4331 1 11 . 1 1 90 90 GLU C C 90 177.812 177.812 179.149 -1.337 25461 4332 1 11 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.352 -0.310 25461 4333 1 11 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.380 0.612 25461 4334 1 11 . 1 1 90 90 GLU H H 90 8.511 8.511 8.030 0.481 25461 4335 1 11 . 1 1 91 91 ASN N N 91 115.736 115.736 117.545 -1.809 25461 4336 1 11 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.575 0.111 25461 4337 1 11 . 1 1 91 91 ASN C C 91 177.109 177.109 177.520 -0.411 25461 4338 1 11 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.077 -0.387 25461 4339 1 11 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.969 1.517 25461 4340 1 11 . 1 1 91 91 ASN H H 91 7.465 7.465 7.870 -0.405 25461 4341 1 11 . 1 1 92 92 THR N N 92 110.330 110.330 109.711 0.619 25461 4342 1 11 . 1 1 92 92 THR HA H 92 4.142 4.142 4.354 -0.212 25461 4343 1 11 . 1 1 92 92 THR C C 92 176.599 176.599 176.095 0.504 25461 4344 1 11 . 1 1 92 92 THR CA C 92 62.581 62.581 64.260 -1.679 25461 4345 1 11 . 1 1 92 92 THR CB C 92 70.198 70.198 69.835 0.363 25461 4346 1 11 . 1 1 92 92 THR H H 92 9.251 9.251 8.277 0.974 25461 4347 1 11 . 1 1 93 93 GLY N N 93 112.211 112.211 111.885 0.326 25461 4348 1 11 . 1 1 93 93 GLY C C 93 174.132 174.132 173.770 0.362 25461 4349 1 11 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.284 0.387 25461 4350 1 11 . 1 1 93 93 GLY H H 93 8.682 8.682 8.031 0.651 25461 4351 1 11 . 1 1 94 94 SER N N 94 111.808 111.808 115.670 -3.862 25461 4352 1 11 . 1 1 94 94 SER HA H 94 4.784 4.784 4.722 0.062 25461 4353 1 11 . 1 1 94 94 SER C C 94 173.862 173.862 174.525 -0.663 25461 4354 1 11 . 1 1 94 94 SER CA C 94 56.221 56.221 56.585 -0.364 25461 4355 1 11 . 1 1 94 94 SER CB C 94 64.454 64.454 65.063 -0.609 25461 4356 1 11 . 1 1 94 94 SER H H 94 8.058 8.058 7.504 0.554 25461 4357 1 11 . 1 1 95 95 VAL N N 95 129.818 129.818 128.547 1.271 25461 4358 1 11 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.710 -0.353 25461 4359 1 11 . 1 1 95 95 VAL C C 95 176.909 176.909 177.175 -0.266 25461 4360 1 11 . 1 1 95 95 VAL CA C 95 66.806 66.806 65.710 1.096 25461 4361 1 11 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.451 0.869 25461 4362 1 11 . 1 1 95 95 VAL H H 95 8.983 8.983 8.863 0.120 25461 4363 1 11 . 1 1 96 96 GLU N N 96 117.745 117.745 120.037 -2.292 25461 4364 1 11 . 1 1 96 96 GLU HA H 96 3.824 3.824 4.054 -0.230 25461 4365 1 11 . 1 1 96 96 GLU C C 96 179.126 179.126 178.635 0.491 25461 4366 1 11 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.774 1.051 25461 4367 1 11 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.429 0.580 25461 4368 1 11 . 1 1 96 96 GLU H H 96 8.673 8.673 8.691 -0.018 25461 4369 1 11 . 1 1 97 97 GLU N N 97 120.049 120.049 118.892 1.157 25461 4370 1 11 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.078 0.068 25461 4371 1 11 . 1 1 97 97 GLU C C 97 178.947 178.947 178.987 -0.040 25461 4372 1 11 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.705 -0.763 25461 4373 1 11 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.266 0.478 25461 4374 1 11 . 1 1 97 97 GLU H H 97 8.125 8.125 8.568 -0.443 25461 4375 1 11 . 1 1 98 98 THR N N 98 118.623 118.623 116.350 2.273 25461 4376 1 11 . 1 1 98 98 THR HA H 98 3.805 3.805 4.118 -0.313 25461 4377 1 11 . 1 1 98 98 THR C C 98 175.676 175.676 176.752 -1.076 25461 4378 1 11 . 1 1 98 98 THR CA C 98 70.162 70.162 67.279 2.883 25461 4379 1 11 . 1 1 98 98 THR CB C 98 69.317 69.317 68.609 0.708 25461 4380 1 11 . 1 1 98 98 THR H H 98 8.038 8.038 7.892 0.146 25461 4381 1 11 . 1 1 99 99 VAL N N 99 120.683 120.683 120.989 -0.306 25461 4382 1 11 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.807 -0.266 25461 4383 1 11 . 1 1 99 99 VAL C C 99 177.456 177.456 177.766 -0.310 25461 4384 1 11 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.317 1.607 25461 4385 1 11 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.779 0.787 25461 4386 1 11 . 1 1 99 99 VAL H H 99 8.724 8.724 8.300 0.424 25461 4387 1 11 . 1 1 100 100 GLU N N 100 120.914 120.914 119.681 1.233 25461 4388 1 11 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.148 -0.134 25461 4389 1 11 . 1 1 100 100 GLU C C 100 179.857 179.857 178.935 0.922 25461 4390 1 11 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.608 0.613 25461 4391 1 11 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.454 -0.246 25461 4392 1 11 . 1 1 100 100 GLU H H 100 8.324 8.324 8.673 -0.349 25461 4393 1 11 . 1 1 101 101 ARG N N 101 118.451 118.451 117.419 1.032 25461 4394 1 11 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.205 -0.332 25461 4395 1 11 . 1 1 101 101 ARG C C 101 178.078 178.078 178.319 -0.241 25461 4396 1 11 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.862 1.116 25461 4397 1 11 . 1 1 101 101 ARG CB C 101 29.946 29.946 30.027 -0.081 25461 4398 1 11 . 1 1 101 101 ARG H H 101 8.197 8.197 8.167 0.030 25461 4399 1 11 . 1 1 102 102 TYR N N 102 119.888 119.888 123.763 -3.875 25461 4400 1 11 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.439 0.036 25461 4401 1 11 . 1 1 102 102 TYR C C 102 180.056 180.056 177.838 2.218 25461 4402 1 11 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.274 0.252 25461 4403 1 11 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.452 -0.936 25461 4404 1 11 . 1 1 102 102 TYR H H 102 8.180 8.180 8.186 -0.006 25461 4405 1 11 . 1 1 103 103 LEU N N 103 122.091 122.091 118.004 4.087 25461 4406 1 11 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.689 0.142 25461 4407 1 11 . 1 1 103 103 LEU C C 103 178.973 178.973 177.796 1.177 25461 4408 1 11 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.072 0.353 25461 4409 1 11 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.231 0.391 25461 4410 1 11 . 1 1 103 103 LEU H H 103 9.050 9.050 8.289 0.761 25461 4411 1 11 . 1 1 104 104 ARG N N 104 116.388 116.388 119.582 -3.194 25461 4412 1 11 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.364 0.012 25461 4413 1 11 . 1 1 104 104 ARG C C 104 176.877 176.877 177.276 -0.399 25461 4414 1 11 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.075 0.497 25461 4415 1 11 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.988 -0.510 25461 4416 1 11 . 1 1 104 104 ARG H H 104 7.888 7.888 7.783 0.105 25461 4417 1 11 . 1 1 105 105 GLY N N 105 107.432 107.432 109.416 -1.984 25461 4418 1 11 . 1 1 105 105 GLY C C 105 174.796 174.796 174.463 0.333 25461 4419 1 11 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.963 0.369 25461 4420 1 11 . 1 1 105 105 GLY H H 105 7.688 7.688 8.049 -0.361 25461 4421 1 11 . 1 1 106 106 ASP N N 106 121.505 121.505 121.206 0.299 25461 4422 1 11 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.618 -0.237 25461 4423 1 11 . 1 1 106 106 ASP C C 106 175.595 175.595 176.702 -1.107 25461 4424 1 11 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.298 0.739 25461 4425 1 11 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.310 -1.739 25461 4426 1 11 . 1 1 106 106 ASP H H 106 7.878 7.878 7.885 -0.007 25461 4427 1 11 . 1 1 107 107 GLU N N 107 119.581 119.581 118.132 1.449 25461 4428 1 11 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.453 -0.071 25461 4429 1 11 . 1 1 107 107 GLU C C 107 177.123 177.123 175.282 1.841 25461 4430 1 11 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.790 -0.315 25461 4431 1 11 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.160 0.361 25461 4432 1 11 . 1 1 107 107 GLU H H 107 8.394 8.394 8.387 0.007 25461 4433 1 11 . 1 1 108 108 PHE N N 108 126.975 126.975 122.704 4.271 25461 4434 1 11 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.803 -0.181 25461 4435 1 11 . 1 1 108 108 PHE C C 108 176.186 176.186 175.169 1.017 25461 4436 1 11 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.444 -0.214 25461 4437 1 11 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.826 -0.582 25461 4438 1 11 . 1 1 108 108 PHE H H 108 9.373 9.373 8.679 0.694 25461 4439 1 11 . 1 1 109 109 SER N N 109 121.198 121.198 119.048 2.150 25461 4440 1 11 . 1 1 109 109 SER HA H 109 4.582 4.582 4.628 -0.046 25461 4441 1 11 . 1 1 109 109 SER C C 109 175.060 175.060 173.064 1.996 25461 4442 1 11 . 1 1 109 109 SER CA C 109 58.928 58.928 57.875 1.053 25461 4443 1 11 . 1 1 109 109 SER CB C 109 64.213 64.213 64.565 -0.352 25461 4444 1 11 . 1 1 109 109 SER H H 109 8.694 8.694 8.345 0.349 25461 4445 1 11 . 1 1 110 110 PHE N N 110 121.734 121.734 119.505 2.229 25461 4446 1 11 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.434 -0.247 25461 4447 1 11 . 1 1 110 110 PHE C C 110 172.930 172.930 173.611 -0.681 25461 4448 1 11 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.503 2.246 25461 4449 1 11 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.650 -1.153 25461 4450 1 11 . 1 1 110 110 PHE H H 110 8.965 8.965 8.276 0.689 25461 4451 1 11 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.465 -0.116 25461 4452 1 11 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.155 -0.083 25461 4453 1 11 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.232 0.086 25461 4454 1 11 . 1 1 112 112 PRO C C 112 177.703 177.703 178.105 -0.402 25461 4455 1 11 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.544 0.045 25461 4456 1 11 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.439 0.318 25461 4457 1 11 . 1 1 113 113 GLY N N 113 110.960 110.960 112.948 -1.988 25461 4458 1 11 . 1 1 113 113 GLY C C 113 174.074 174.074 174.940 -0.866 25461 4459 1 11 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.014 0.146 25461 4460 1 11 . 1 1 113 113 GLY H H 113 8.682 8.682 8.660 0.022 25461 4461 1 11 . 1 1 114 114 PHE N N 114 120.992 120.992 120.531 0.461 25461 4462 1 11 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.402 -0.092 25461 4463 1 11 . 1 1 114 114 PHE C C 114 174.567 174.567 176.263 -1.696 25461 4464 1 11 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.707 -0.383 25461 4465 1 11 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.941 0.208 25461 4466 1 11 . 1 1 114 114 PHE H H 114 7.771 7.771 8.143 -0.372 25461 4467 1 12 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.150 -0.793 25461 4468 1 12 . 1 1 42 42 ALA C C 42 177.825 177.825 177.228 0.597 25461 4469 1 12 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.526 0.148 25461 4470 1 12 . 1 1 42 42 ALA CB C 42 19.452 19.452 20.532 -1.080 25461 4471 1 12 . 1 1 43 43 MET N N 43 119.667 119.667 118.566 1.101 25461 4472 1 12 . 1 1 43 43 MET HA H 43 4.549 4.549 4.586 -0.037 25461 4473 1 12 . 1 1 43 43 MET C C 43 176.478 176.478 175.894 0.584 25461 4474 1 12 . 1 1 43 43 MET CA C 43 55.344 55.344 56.044 -0.700 25461 4475 1 12 . 1 1 43 43 MET CB C 43 33.129 33.129 33.574 -0.445 25461 4476 1 12 . 1 1 43 43 MET H H 43 8.507 8.507 8.687 -0.180 25461 4477 1 12 . 1 1 44 44 GLY N N 44 110.244 110.244 112.186 -1.942 25461 4478 1 12 . 1 1 44 44 GLY C C 44 172.009 172.009 172.803 -0.794 25461 4479 1 12 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.761 -0.119 25461 4480 1 12 . 1 1 44 44 GLY H H 44 8.251 8.251 8.298 -0.047 25461 4481 1 12 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.441 -0.008 25461 4482 1 12 . 1 1 45 45 PRO C C 45 177.510 177.510 176.886 0.624 25461 4483 1 12 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.678 0.727 25461 4484 1 12 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.360 -0.254 25461 4485 1 12 . 1 1 46 46 GLN N N 46 120.607 120.607 121.056 -0.449 25461 4486 1 12 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.327 0.019 25461 4487 1 12 . 1 1 46 46 GLN C C 46 176.687 176.687 176.705 -0.018 25461 4488 1 12 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.901 0.155 25461 4489 1 12 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.495 -0.072 25461 4490 1 12 . 1 1 46 46 GLN H H 46 8.628 8.628 8.407 0.221 25461 4491 1 12 . 1 1 47 47 GLY N N 47 110.011 110.011 110.112 -0.101 25461 4492 1 12 . 1 1 47 47 GLY C C 47 174.308 174.308 173.144 1.164 25461 4493 1 12 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.509 -0.075 25461 4494 1 12 . 1 1 47 47 GLY H H 47 8.411 8.411 8.597 -0.186 25461 4495 1 12 . 1 1 48 48 SER N N 48 115.646 115.646 116.183 -0.537 25461 4496 1 12 . 1 1 48 48 SER HA H 48 4.542 4.542 4.570 -0.028 25461 4497 1 12 . 1 1 48 48 SER C C 48 175.288 175.288 173.802 1.486 25461 4498 1 12 . 1 1 48 48 SER CA C 48 58.437 58.437 57.346 1.091 25461 4499 1 12 . 1 1 48 48 SER CB C 48 63.965 63.965 64.647 -0.682 25461 4500 1 12 . 1 1 48 48 SER H H 48 8.284 8.284 7.834 0.450 25461 4501 1 12 . 1 1 49 49 THR N N 49 115.928 115.928 114.480 1.448 25461 4502 1 12 . 1 1 49 49 THR HA H 49 4.343 4.343 4.386 -0.043 25461 4503 1 12 . 1 1 49 49 THR C C 49 174.948 174.948 174.516 0.432 25461 4504 1 12 . 1 1 49 49 THR CA C 49 62.294 62.294 61.803 0.490 25461 4505 1 12 . 1 1 49 49 THR CB C 49 69.614 69.614 69.017 0.597 25461 4506 1 12 . 1 1 49 49 THR H H 49 8.282 8.282 8.246 0.036 25461 4507 1 12 . 1 1 50 50 GLN N N 50 122.155 122.155 125.260 -3.105 25461 4508 1 12 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.041 0.346 25461 4509 1 12 . 1 1 50 50 GLN C C 50 176.071 176.071 174.454 1.617 25461 4510 1 12 . 1 1 50 50 GLN CA C 50 56.390 56.390 56.374 0.016 25461 4511 1 12 . 1 1 50 50 GLN CB C 50 29.226 29.226 28.928 0.298 25461 4512 1 12 . 1 1 50 50 GLN H H 50 8.401 8.401 8.435 -0.034 25461 4513 1 12 . 1 1 51 51 ASN N N 51 119.604 119.604 118.035 1.569 25461 4514 1 12 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.737 -0.099 25461 4515 1 12 . 1 1 51 51 ASN C C 51 175.275 175.275 173.513 1.762 25461 4516 1 12 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.170 1.480 25461 4517 1 12 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.785 -0.928 25461 4518 1 12 . 1 1 51 51 ASN H H 51 8.395 8.395 8.143 0.252 25461 4519 1 12 . 1 1 52 52 ALA N N 52 124.054 124.054 124.358 -0.304 25461 4520 1 12 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.240 0.022 25461 4521 1 12 . 1 1 52 52 ALA C C 52 177.915 177.915 177.928 -0.013 25461 4522 1 12 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.561 0.530 25461 4523 1 12 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.482 -0.308 25461 4524 1 12 . 1 1 52 52 ALA H H 52 8.227 8.227 8.360 -0.133 25461 4525 1 12 . 1 1 53 53 LEU N N 53 120.325 120.325 119.344 0.981 25461 4526 1 12 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.588 -0.296 25461 4527 1 12 . 1 1 53 53 LEU C C 53 177.531 177.531 176.237 1.294 25461 4528 1 12 . 1 1 53 53 LEU CA C 53 55.443 55.443 55.335 0.108 25461 4529 1 12 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.579 -0.372 25461 4530 1 12 . 1 1 53 53 LEU H H 53 8.097 8.097 8.222 -0.125 25461 4531 1 12 . 1 1 54 54 ARG N N 54 121.409 121.409 121.549 -0.140 25461 4532 1 12 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.514 -0.181 25461 4533 1 12 . 1 1 54 54 ARG C C 54 176.332 176.332 175.887 0.445 25461 4534 1 12 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.530 0.657 25461 4535 1 12 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.491 0.246 25461 4536 1 12 . 1 1 54 54 ARG H H 54 8.155 8.155 7.903 0.252 25461 4537 1 12 . 1 1 55 55 ARG N N 55 122.380 122.380 126.239 -3.859 25461 4538 1 12 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.314 0.104 25461 4539 1 12 . 1 1 55 55 ARG C C 55 176.563 176.563 176.571 -0.008 25461 4540 1 12 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.525 -0.236 25461 4541 1 12 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.851 -0.013 25461 4542 1 12 . 1 1 55 55 ARG H H 55 8.389 8.389 8.809 -0.420 25461 4543 1 12 . 1 1 56 56 THR N N 56 114.693 114.693 114.313 0.380 25461 4544 1 12 . 1 1 56 56 THR HA H 56 4.372 4.372 4.534 -0.162 25461 4545 1 12 . 1 1 56 56 THR C C 56 175.062 175.062 175.248 -0.186 25461 4546 1 12 . 1 1 56 56 THR CA C 56 61.926 61.926 62.056 -0.130 25461 4547 1 12 . 1 1 56 56 THR CB C 56 70.016 70.016 69.987 0.029 25461 4548 1 12 . 1 1 56 56 THR H H 56 8.204 8.204 8.204 0.000 25461 4549 1 12 . 1 1 57 57 GLY N N 57 111.042 111.042 109.903 1.139 25461 4550 1 12 . 1 1 57 57 GLY C C 57 173.868 173.868 174.582 -0.714 25461 4551 1 12 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.737 0.554 25461 4552 1 12 . 1 1 57 57 GLY H H 57 8.424 8.424 8.326 0.098 25461 4553 1 12 . 1 1 58 58 ARG N N 58 120.824 120.824 121.582 -0.758 25461 4554 1 12 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.541 -0.155 25461 4555 1 12 . 1 1 58 58 ARG C C 58 176.522 176.522 176.672 -0.150 25461 4556 1 12 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.605 0.506 25461 4557 1 12 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.983 0.091 25461 4558 1 12 . 1 1 58 58 ARG H H 58 8.232 8.232 8.162 0.070 25461 4559 1 12 . 1 1 59 59 VAL N N 59 121.437 121.437 119.389 2.048 25461 4560 1 12 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.281 -0.161 25461 4561 1 12 . 1 1 59 59 VAL C C 59 176.022 176.022 176.977 -0.955 25461 4562 1 12 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.296 0.117 25461 4563 1 12 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.621 0.194 25461 4564 1 12 . 1 1 59 59 VAL H H 59 8.307 8.307 8.175 0.132 25461 4565 1 12 . 1 1 60 60 ASN N N 60 122.487 122.487 118.066 4.421 25461 4566 1 12 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.432 0.305 25461 4567 1 12 . 1 1 60 60 ASN C C 60 175.521 175.521 174.853 0.668 25461 4568 1 12 . 1 1 60 60 ASN CA C 60 53.375 53.375 54.633 -1.258 25461 4569 1 12 . 1 1 60 60 ASN CB C 60 39.098 39.098 38.085 1.013 25461 4570 1 12 . 1 1 60 60 ASN H H 60 8.593 8.593 8.828 -0.235 25461 4571 1 12 . 1 1 61 61 GLY N N 61 109.681 109.681 106.313 3.368 25461 4572 1 12 . 1 1 61 61 GLY C C 61 174.361 174.361 172.833 1.528 25461 4573 1 12 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.869 0.630 25461 4574 1 12 . 1 1 61 61 GLY H H 61 8.407 8.407 7.758 0.649 25461 4575 1 12 . 1 1 62 62 GLY N N 62 108.197 108.197 112.115 -3.918 25461 4576 1 12 . 1 1 62 62 GLY C C 62 173.866 173.866 173.211 0.655 25461 4577 1 12 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.911 0.201 25461 4578 1 12 . 1 1 62 62 GLY H H 62 8.209 8.209 8.070 0.139 25461 4579 1 12 . 1 1 63 63 HIS N N 63 121.370 121.370 121.823 -0.453 25461 4580 1 12 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.980 -0.181 25461 4581 1 12 . 1 1 63 63 HIS C C 63 173.562 173.562 173.373 0.189 25461 4582 1 12 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.715 1.131 25461 4583 1 12 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.456 -2.284 25461 4584 1 12 . 1 1 63 63 HIS H H 63 8.587 8.587 8.768 -0.181 25461 4585 1 12 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.474 -0.013 25461 4586 1 12 . 1 1 64 64 PRO C C 64 176.406 176.406 176.385 0.021 25461 4587 1 12 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.833 0.255 25461 4588 1 12 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.302 -0.299 25461 4589 1 12 . 1 1 65 65 VAL N N 65 122.214 122.214 118.219 3.995 25461 4590 1 12 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.754 -0.400 25461 4591 1 12 . 1 1 65 65 VAL C C 65 176.217 176.217 175.430 0.787 25461 4592 1 12 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.611 2.622 25461 4593 1 12 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.594 -0.240 25461 4594 1 12 . 1 1 65 65 VAL H H 65 8.436 8.436 8.332 0.104 25461 4595 1 12 . 1 1 66 66 THR N N 66 118.215 118.215 113.978 4.237 25461 4596 1 12 . 1 1 66 66 THR HA H 66 4.844 4.844 4.711 0.133 25461 4597 1 12 . 1 1 66 66 THR C C 66 175.632 175.632 174.935 0.697 25461 4598 1 12 . 1 1 66 66 THR CA C 66 59.250 59.250 59.973 -0.723 25461 4599 1 12 . 1 1 66 66 THR CB C 66 71.632 71.632 71.401 0.231 25461 4600 1 12 . 1 1 66 66 THR H H 66 7.765 7.765 8.346 -0.581 25461 4601 1 12 . 1 1 67 67 THR N N 67 116.809 116.809 117.242 -0.433 25461 4602 1 12 . 1 1 67 67 THR HA H 67 3.846 3.846 3.945 -0.099 25461 4603 1 12 . 1 1 67 67 THR C C 67 176.323 176.323 176.135 0.188 25461 4604 1 12 . 1 1 67 67 THR CA C 67 66.206 66.206 66.610 -0.404 25461 4605 1 12 . 1 1 67 67 THR CB C 67 68.417 68.417 68.584 -0.167 25461 4606 1 12 . 1 1 67 67 THR H H 67 8.901 8.901 8.643 0.258 25461 4607 1 12 . 1 1 68 68 GLN N N 68 120.255 120.255 120.014 0.241 25461 4608 1 12 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.258 -0.175 25461 4609 1 12 . 1 1 68 68 GLN C C 68 179.056 179.056 178.289 0.767 25461 4610 1 12 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.642 1.012 25461 4611 1 12 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.506 0.425 25461 4612 1 12 . 1 1 68 68 GLN H H 68 8.290 8.290 8.860 -0.570 25461 4613 1 12 . 1 1 69 69 MET N N 69 120.434 120.434 119.511 0.923 25461 4614 1 12 . 1 1 69 69 MET HA H 69 3.918 3.918 4.131 -0.213 25461 4615 1 12 . 1 1 69 69 MET C C 69 177.390 177.390 178.503 -1.113 25461 4616 1 12 . 1 1 69 69 MET CA C 69 59.757 59.757 59.062 0.695 25461 4617 1 12 . 1 1 69 69 MET CB C 69 35.178 35.178 32.709 2.469 25461 4618 1 12 . 1 1 69 69 MET H H 69 7.718 7.718 7.665 0.053 25461 4619 1 12 . 1 1 70 70 VAL N N 70 118.137 118.137 119.187 -1.050 25461 4620 1 12 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.484 -0.150 25461 4621 1 12 . 1 1 70 70 VAL C C 70 177.985 177.985 177.886 0.099 25461 4622 1 12 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.689 -0.315 25461 4623 1 12 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.250 0.439 25461 4624 1 12 . 1 1 70 70 VAL H H 70 7.322 7.322 7.372 -0.050 25461 4625 1 12 . 1 1 71 71 GLU N N 71 118.717 118.717 118.369 0.348 25461 4626 1 12 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.931 0.001 25461 4627 1 12 . 1 1 71 71 GLU C C 71 178.984 178.984 178.954 0.030 25461 4628 1 12 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.446 -0.118 25461 4629 1 12 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.863 0.719 25461 4630 1 12 . 1 1 71 71 GLU H H 71 8.446 8.446 8.348 0.098 25461 4631 1 12 . 1 1 72 72 THR N N 72 116.413 116.413 117.931 -1.518 25461 4632 1 12 . 1 1 72 72 THR HA H 72 3.885 3.885 3.931 -0.046 25461 4633 1 12 . 1 1 72 72 THR C C 72 176.837 176.837 176.586 0.251 25461 4634 1 12 . 1 1 72 72 THR CA C 72 66.924 66.924 67.043 -0.119 25461 4635 1 12 . 1 1 72 72 THR CB C 72 68.594 68.594 68.406 0.188 25461 4636 1 12 . 1 1 72 72 THR H H 72 8.055 8.055 7.782 0.273 25461 4637 1 12 . 1 1 73 73 VAL N N 73 119.440 119.440 121.244 -1.804 25461 4638 1 12 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.436 -0.075 25461 4639 1 12 . 1 1 73 73 VAL C C 73 177.119 177.119 177.669 -0.550 25461 4640 1 12 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.781 -0.308 25461 4641 1 12 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.267 -0.354 25461 4642 1 12 . 1 1 73 73 VAL H H 73 7.521 7.521 7.765 -0.244 25461 4643 1 12 . 1 1 74 74 GLN N N 74 120.105 120.105 119.225 0.880 25461 4644 1 12 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.812 -0.171 25461 4645 1 12 . 1 1 74 74 GLN C C 74 177.761 177.761 178.357 -0.596 25461 4646 1 12 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.643 0.081 25461 4647 1 12 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.330 0.967 25461 4648 1 12 . 1 1 74 74 GLN H H 74 8.884 8.884 8.218 0.666 25461 4649 1 12 . 1 1 75 75 ASN N N 75 113.460 113.460 117.759 -4.299 25461 4650 1 12 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.427 -0.065 25461 4651 1 12 . 1 1 75 75 ASN C C 75 176.122 176.122 177.666 -1.544 25461 4652 1 12 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.777 -0.286 25461 4653 1 12 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.508 0.464 25461 4654 1 12 . 1 1 75 75 ASN H H 75 7.472 7.472 8.307 -0.835 25461 4655 1 12 . 1 1 76 76 LEU N N 76 118.225 118.225 117.499 0.726 25461 4656 1 12 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.392 -0.085 25461 4657 1 12 . 1 1 76 76 LEU C C 76 175.358 175.358 176.956 -1.598 25461 4658 1 12 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.105 -0.728 25461 4659 1 12 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.590 0.846 25461 4660 1 12 . 1 1 76 76 LEU H H 76 7.130 7.130 7.754 -0.624 25461 4661 1 12 . 1 1 77 77 ALA N N 77 122.753 122.753 119.443 3.310 25461 4662 1 12 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.497 -0.051 25461 4663 1 12 . 1 1 77 77 ALA C C 77 173.976 173.976 175.060 -1.084 25461 4664 1 12 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.221 0.201 25461 4665 1 12 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.102 -0.719 25461 4666 1 12 . 1 1 77 77 ALA H H 77 7.784 7.784 7.866 -0.082 25461 4667 1 12 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.413 -0.027 25461 4668 1 12 . 1 1 78 78 PRO C C 78 177.311 177.311 176.661 0.650 25461 4669 1 12 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.737 0.861 25461 4670 1 12 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.727 0.414 25461 4671 1 12 . 1 1 79 79 ASN N N 79 111.571 111.571 115.981 -4.410 25461 4672 1 12 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.706 0.048 25461 4673 1 12 . 1 1 79 79 ASN C C 79 175.765 175.765 175.077 0.688 25461 4674 1 12 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.254 -0.092 25461 4675 1 12 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.099 -1.218 25461 4676 1 12 . 1 1 79 79 ASN H H 79 7.868 7.868 8.356 -0.488 25461 4677 1 12 . 1 1 80 80 LEU N N 80 119.219 119.219 119.340 -0.121 25461 4678 1 12 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.425 -0.057 25461 4679 1 12 . 1 1 80 80 LEU C C 80 175.715 175.715 175.276 0.439 25461 4680 1 12 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.543 0.306 25461 4681 1 12 . 1 1 80 80 LEU CB C 80 43.172 43.172 44.451 -1.279 25461 4682 1 12 . 1 1 80 80 LEU H H 80 7.176 7.176 7.204 -0.028 25461 4683 1 12 . 1 1 81 81 HIS N N 81 123.894 123.894 121.210 2.684 25461 4684 1 12 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.791 -0.049 25461 4685 1 12 . 1 1 81 81 HIS C C 81 176.185 176.185 174.519 1.666 25461 4686 1 12 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.416 0.076 25461 4687 1 12 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.750 0.426 25461 4688 1 12 . 1 1 81 81 HIS H H 81 9.023 9.023 8.719 0.304 25461 4689 1 12 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.295 -0.282 25461 4690 1 12 . 1 1 82 82 PRO C C 82 178.774 178.774 178.197 0.577 25461 4691 1 12 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.173 1.222 25461 4692 1 12 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.169 -0.134 25461 4693 1 12 . 1 1 83 83 GLU N N 83 120.128 120.128 119.201 0.927 25461 4694 1 12 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.258 0.152 25461 4695 1 12 . 1 1 83 83 GLU C C 83 181.651 181.651 178.770 2.881 25461 4696 1 12 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.918 0.311 25461 4697 1 12 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.776 -0.481 25461 4698 1 12 . 1 1 83 83 GLU H H 83 11.938 11.938 8.288 3.650 25461 4699 1 12 . 1 1 84 84 GLN N N 84 117.052 117.052 119.229 -2.177 25461 4700 1 12 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.809 0.172 25461 4701 1 12 . 1 1 84 84 GLN C C 84 179.958 179.958 178.553 1.405 25461 4702 1 12 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.593 0.357 25461 4703 1 12 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.419 2.251 25461 4704 1 12 . 1 1 84 84 GLN H H 84 7.467 7.467 7.453 0.014 25461 4705 1 12 . 1 1 85 85 ILE N N 85 120.448 120.448 119.929 0.519 25461 4706 1 12 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.642 -0.309 25461 4707 1 12 . 1 1 85 85 ILE C C 85 176.960 176.960 177.459 -0.499 25461 4708 1 12 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.972 0.556 25461 4709 1 12 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.379 0.433 25461 4710 1 12 . 1 1 85 85 ILE H H 85 7.750 7.750 7.482 0.268 25461 4711 1 12 . 1 1 86 86 ARG N N 86 119.593 119.593 119.057 0.536 25461 4712 1 12 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.909 -0.186 25461 4713 1 12 . 1 1 86 86 ARG C C 86 177.115 177.115 178.281 -1.166 25461 4714 1 12 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.642 1.177 25461 4715 1 12 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.336 0.890 25461 4716 1 12 . 1 1 86 86 ARG H H 86 8.868 8.868 8.303 0.565 25461 4717 1 12 . 1 1 87 87 TYR N N 87 116.869 116.869 120.164 -3.295 25461 4718 1 12 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.294 0.206 25461 4719 1 12 . 1 1 87 87 TYR C C 87 177.597 177.597 177.619 -0.022 25461 4720 1 12 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.565 -0.441 25461 4721 1 12 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.175 0.260 25461 4722 1 12 . 1 1 87 87 TYR H H 87 7.684 7.684 7.964 -0.280 25461 4723 1 12 . 1 1 88 88 SER N N 88 110.655 110.655 116.292 -5.637 25461 4724 1 12 . 1 1 88 88 SER HA H 88 4.155 4.155 3.889 0.266 25461 4725 1 12 . 1 1 88 88 SER C C 88 177.666 177.666 176.622 1.044 25461 4726 1 12 . 1 1 88 88 SER CA C 88 61.207 61.207 62.148 -0.941 25461 4727 1 12 . 1 1 88 88 SER CB C 88 62.880 62.880 62.661 0.219 25461 4728 1 12 . 1 1 88 88 SER H H 88 7.510 7.510 8.105 -0.595 25461 4729 1 12 . 1 1 89 89 LEU N N 89 119.356 119.356 122.292 -2.936 25461 4730 1 12 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.112 0.081 25461 4731 1 12 . 1 1 89 89 LEU C C 89 180.057 180.057 179.835 0.222 25461 4732 1 12 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.821 -0.444 25461 4733 1 12 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.628 1.717 25461 4734 1 12 . 1 1 89 89 LEU H H 89 8.522 8.522 8.780 -0.258 25461 4735 1 12 . 1 1 90 90 GLU N N 90 120.190 120.190 119.458 0.732 25461 4736 1 12 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.236 -0.120 25461 4737 1 12 . 1 1 90 90 GLU C C 90 177.812 177.812 179.409 -1.597 25461 4738 1 12 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.492 -0.450 25461 4739 1 12 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.368 0.624 25461 4740 1 12 . 1 1 90 90 GLU H H 90 8.511 8.511 7.981 0.530 25461 4741 1 12 . 1 1 91 91 ASN N N 91 115.736 115.736 118.226 -2.490 25461 4742 1 12 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.611 0.075 25461 4743 1 12 . 1 1 91 91 ASN C C 91 177.109 177.109 177.982 -0.873 25461 4744 1 12 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.128 -0.438 25461 4745 1 12 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.921 1.565 25461 4746 1 12 . 1 1 91 91 ASN H H 91 7.465 7.465 7.944 -0.479 25461 4747 1 12 . 1 1 92 92 THR N N 92 110.330 110.330 111.291 -0.961 25461 4748 1 12 . 1 1 92 92 THR HA H 92 4.142 4.142 4.151 -0.009 25461 4749 1 12 . 1 1 92 92 THR C C 92 176.599 176.599 176.042 0.557 25461 4750 1 12 . 1 1 92 92 THR CA C 92 62.581 62.581 64.385 -1.804 25461 4751 1 12 . 1 1 92 92 THR CB C 92 70.198 70.198 69.511 0.687 25461 4752 1 12 . 1 1 92 92 THR H H 92 9.251 9.251 8.384 0.867 25461 4753 1 12 . 1 1 93 93 GLY N N 93 112.211 112.211 110.430 1.781 25461 4754 1 12 . 1 1 93 93 GLY C C 93 174.132 174.132 173.596 0.536 25461 4755 1 12 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.672 0.999 25461 4756 1 12 . 1 1 93 93 GLY H H 93 8.682 8.682 8.211 0.471 25461 4757 1 12 . 1 1 94 94 SER N N 94 111.808 111.808 115.439 -3.631 25461 4758 1 12 . 1 1 94 94 SER HA H 94 4.784 4.784 4.741 0.043 25461 4759 1 12 . 1 1 94 94 SER C C 94 173.862 173.862 174.352 -0.490 25461 4760 1 12 . 1 1 94 94 SER CA C 94 56.221 56.221 56.670 -0.449 25461 4761 1 12 . 1 1 94 94 SER CB C 94 64.454 64.454 66.316 -1.861 25461 4762 1 12 . 1 1 94 94 SER H H 94 8.058 8.058 7.307 0.751 25461 4763 1 12 . 1 1 95 95 VAL N N 95 129.818 129.818 125.559 4.259 25461 4764 1 12 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.627 -0.270 25461 4765 1 12 . 1 1 95 95 VAL C C 95 176.909 176.909 177.403 -0.494 25461 4766 1 12 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.242 -0.436 25461 4767 1 12 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.910 0.409 25461 4768 1 12 . 1 1 95 95 VAL H H 95 8.983 8.983 8.886 0.097 25461 4769 1 12 . 1 1 96 96 GLU N N 96 117.745 117.745 119.314 -1.569 25461 4770 1 12 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.979 -0.155 25461 4771 1 12 . 1 1 96 96 GLU C C 96 179.126 179.126 178.645 0.481 25461 4772 1 12 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.820 1.005 25461 4773 1 12 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.730 0.279 25461 4774 1 12 . 1 1 96 96 GLU H H 96 8.673 8.673 8.640 0.033 25461 4775 1 12 . 1 1 97 97 GLU N N 97 120.049 120.049 118.947 1.102 25461 4776 1 12 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.147 -0.001 25461 4777 1 12 . 1 1 97 97 GLU C C 97 178.947 178.947 178.912 0.035 25461 4778 1 12 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.110 -0.169 25461 4779 1 12 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.049 0.695 25461 4780 1 12 . 1 1 97 97 GLU H H 97 8.125 8.125 8.597 -0.472 25461 4781 1 12 . 1 1 98 98 THR N N 98 118.623 118.623 116.824 1.799 25461 4782 1 12 . 1 1 98 98 THR HA H 98 3.805 3.805 4.039 -0.234 25461 4783 1 12 . 1 1 98 98 THR C C 98 175.676 175.676 176.768 -1.092 25461 4784 1 12 . 1 1 98 98 THR CA C 98 70.162 70.162 67.382 2.780 25461 4785 1 12 . 1 1 98 98 THR CB C 98 69.317 69.317 68.593 0.724 25461 4786 1 12 . 1 1 98 98 THR H H 98 8.038 8.038 7.734 0.304 25461 4787 1 12 . 1 1 99 99 VAL N N 99 120.683 120.683 120.844 -0.161 25461 4788 1 12 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.883 -0.342 25461 4789 1 12 . 1 1 99 99 VAL C C 99 177.456 177.456 177.580 -0.124 25461 4790 1 12 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.342 1.582 25461 4791 1 12 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.825 0.741 25461 4792 1 12 . 1 1 99 99 VAL H H 99 8.724 8.724 8.631 0.093 25461 4793 1 12 . 1 1 100 100 GLU N N 100 120.914 120.914 119.868 1.046 25461 4794 1 12 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.133 -0.119 25461 4795 1 12 . 1 1 100 100 GLU C C 100 179.857 179.857 179.084 0.773 25461 4796 1 12 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.700 0.520 25461 4797 1 12 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.476 -0.268 25461 4798 1 12 . 1 1 100 100 GLU H H 100 8.324 8.324 8.287 0.037 25461 4799 1 12 . 1 1 101 101 ARG N N 101 118.451 118.451 117.416 1.035 25461 4800 1 12 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.232 -0.359 25461 4801 1 12 . 1 1 101 101 ARG C C 101 178.078 178.078 178.152 -0.074 25461 4802 1 12 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.831 1.147 25461 4803 1 12 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.974 -0.028 25461 4804 1 12 . 1 1 101 101 ARG H H 101 8.197 8.197 8.122 0.075 25461 4805 1 12 . 1 1 102 102 TYR N N 102 119.888 119.888 124.258 -4.370 25461 4806 1 12 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.290 0.185 25461 4807 1 12 . 1 1 102 102 TYR C C 102 180.056 180.056 178.022 2.034 25461 4808 1 12 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.024 0.502 25461 4809 1 12 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.344 -0.828 25461 4810 1 12 . 1 1 102 102 TYR H H 102 8.180 8.180 8.144 0.036 25461 4811 1 12 . 1 1 103 103 LEU N N 103 122.091 122.091 118.250 3.841 25461 4812 1 12 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.599 0.232 25461 4813 1 12 . 1 1 103 103 LEU C C 103 178.973 178.973 177.584 1.389 25461 4814 1 12 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.262 0.163 25461 4815 1 12 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.202 0.420 25461 4816 1 12 . 1 1 103 103 LEU H H 103 9.050 9.050 8.299 0.751 25461 4817 1 12 . 1 1 104 104 ARG N N 104 116.388 116.388 119.150 -2.762 25461 4818 1 12 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.397 -0.021 25461 4819 1 12 . 1 1 104 104 ARG C C 104 176.877 176.877 177.203 -0.326 25461 4820 1 12 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.667 0.905 25461 4821 1 12 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.689 -0.211 25461 4822 1 12 . 1 1 104 104 ARG H H 104 7.888 7.888 7.590 0.298 25461 4823 1 12 . 1 1 105 105 GLY N N 105 107.432 107.432 108.350 -0.918 25461 4824 1 12 . 1 1 105 105 GLY C C 105 174.796 174.796 174.538 0.258 25461 4825 1 12 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.801 0.531 25461 4826 1 12 . 1 1 105 105 GLY H H 105 7.688 7.688 7.888 -0.200 25461 4827 1 12 . 1 1 106 106 ASP N N 106 121.505 121.505 120.616 0.889 25461 4828 1 12 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.603 -0.222 25461 4829 1 12 . 1 1 106 106 ASP C C 106 175.595 175.595 176.677 -1.082 25461 4830 1 12 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.511 0.526 25461 4831 1 12 . 1 1 106 106 ASP CB C 106 40.571 40.571 41.962 -1.391 25461 4832 1 12 . 1 1 106 106 ASP H H 106 7.878 7.878 8.106 -0.228 25461 4833 1 12 . 1 1 107 107 GLU N N 107 119.581 119.581 118.756 0.825 25461 4834 1 12 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.521 -0.139 25461 4835 1 12 . 1 1 107 107 GLU C C 107 177.123 177.123 175.599 1.524 25461 4836 1 12 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.221 0.254 25461 4837 1 12 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.282 0.240 25461 4838 1 12 . 1 1 107 107 GLU H H 107 8.394 8.394 8.512 -0.118 25461 4839 1 12 . 1 1 108 108 PHE N N 108 126.975 126.975 121.731 5.244 25461 4840 1 12 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.746 -0.124 25461 4841 1 12 . 1 1 108 108 PHE C C 108 176.186 176.186 175.326 0.860 25461 4842 1 12 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.036 0.194 25461 4843 1 12 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.726 -0.482 25461 4844 1 12 . 1 1 108 108 PHE H H 108 9.373 9.373 8.667 0.706 25461 4845 1 12 . 1 1 109 109 SER N N 109 121.198 121.198 119.166 2.032 25461 4846 1 12 . 1 1 109 109 SER HA H 109 4.582 4.582 4.657 -0.075 25461 4847 1 12 . 1 1 109 109 SER C C 109 175.060 175.060 173.369 1.691 25461 4848 1 12 . 1 1 109 109 SER CA C 109 58.928 58.928 57.921 1.007 25461 4849 1 12 . 1 1 109 109 SER CB C 109 64.213 64.213 64.819 -0.606 25461 4850 1 12 . 1 1 109 109 SER H H 109 8.694 8.694 8.384 0.310 25461 4851 1 12 . 1 1 110 110 PHE N N 110 121.734 121.734 119.590 2.144 25461 4852 1 12 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.457 -0.270 25461 4853 1 12 . 1 1 110 110 PHE C C 110 172.930 172.930 173.823 -0.893 25461 4854 1 12 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.375 2.374 25461 4855 1 12 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.266 -0.769 25461 4856 1 12 . 1 1 110 110 PHE H H 110 8.965 8.965 8.355 0.610 25461 4857 1 12 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.938 -0.589 25461 4858 1 12 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.357 -0.285 25461 4859 1 12 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.220 0.098 25461 4860 1 12 . 1 1 112 112 PRO C C 112 177.703 177.703 177.033 0.670 25461 4861 1 12 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.794 -0.205 25461 4862 1 12 . 1 1 112 112 PRO CB C 112 31.758 31.758 30.957 0.801 25461 4863 1 12 . 1 1 113 113 GLY N N 113 110.960 110.960 111.356 -0.396 25461 4864 1 12 . 1 1 113 113 GLY C C 113 174.074 174.074 174.958 -0.884 25461 4865 1 12 . 1 1 113 113 GLY CA C 113 45.160 45.160 44.794 0.366 25461 4866 1 12 . 1 1 113 113 GLY H H 113 8.682 8.682 8.146 0.536 25461 4867 1 12 . 1 1 114 114 PHE N N 114 120.992 120.992 121.192 -0.200 25461 4868 1 12 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.619 -0.309 25461 4869 1 12 . 1 1 114 114 PHE C C 114 174.567 174.567 175.553 -0.986 25461 4870 1 12 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.169 -0.845 25461 4871 1 12 . 1 1 114 114 PHE CB C 114 40.149 40.149 40.003 0.146 25461 4872 1 12 . 1 1 114 114 PHE H H 114 7.771 7.771 7.899 -0.128 25461 4873 1 13 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.906 -0.549 25461 4874 1 13 . 1 1 42 42 ALA C C 42 177.825 177.825 177.987 -0.162 25461 4875 1 13 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.831 -0.158 25461 4876 1 13 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.797 -0.344 25461 4877 1 13 . 1 1 43 43 MET N N 43 119.667 119.667 117.807 1.860 25461 4878 1 13 . 1 1 43 43 MET HA H 43 4.549 4.549 4.600 -0.051 25461 4879 1 13 . 1 1 43 43 MET C C 43 176.478 176.478 176.451 0.027 25461 4880 1 13 . 1 1 43 43 MET CA C 43 55.344 55.344 54.984 0.360 25461 4881 1 13 . 1 1 43 43 MET CB C 43 33.129 33.129 33.669 -0.539 25461 4882 1 13 . 1 1 43 43 MET H H 43 8.507 8.507 8.211 0.296 25461 4883 1 13 . 1 1 44 44 GLY N N 44 110.244 110.244 110.531 -0.287 25461 4884 1 13 . 1 1 44 44 GLY C C 44 172.009 172.009 173.399 -1.390 25461 4885 1 13 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.209 0.433 25461 4886 1 13 . 1 1 44 44 GLY H H 44 8.251 8.251 7.992 0.259 25461 4887 1 13 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.488 -0.055 25461 4888 1 13 . 1 1 45 45 PRO C C 45 177.510 177.510 175.895 1.615 25461 4889 1 13 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.896 0.509 25461 4890 1 13 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.337 -0.231 25461 4891 1 13 . 1 1 46 46 GLN N N 46 120.607 120.607 118.788 1.819 25461 4892 1 13 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.959 -0.613 25461 4893 1 13 . 1 1 46 46 GLN C C 46 176.687 176.687 174.554 2.133 25461 4894 1 13 . 1 1 46 46 GLN CA C 46 56.056 56.056 54.864 1.192 25461 4895 1 13 . 1 1 46 46 GLN CB C 46 29.423 29.423 31.308 -1.885 25461 4896 1 13 . 1 1 46 46 GLN H H 46 8.628 8.628 8.726 -0.098 25461 4897 1 13 . 1 1 47 47 GLY N N 47 110.011 110.011 108.669 1.342 25461 4898 1 13 . 1 1 47 47 GLY C C 47 174.308 174.308 173.953 0.355 25461 4899 1 13 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.895 0.539 25461 4900 1 13 . 1 1 47 47 GLY H H 47 8.411 8.411 8.239 0.172 25461 4901 1 13 . 1 1 48 48 SER N N 48 115.646 115.646 119.104 -3.458 25461 4902 1 13 . 1 1 48 48 SER HA H 48 4.542 4.542 4.527 0.015 25461 4903 1 13 . 1 1 48 48 SER C C 48 175.288 175.288 174.083 1.205 25461 4904 1 13 . 1 1 48 48 SER CA C 48 58.437 58.437 58.482 -0.045 25461 4905 1 13 . 1 1 48 48 SER CB C 48 63.965 63.965 63.073 0.892 25461 4906 1 13 . 1 1 48 48 SER H H 48 8.284 8.284 8.225 0.059 25461 4907 1 13 . 1 1 49 49 THR N N 49 115.928 115.928 118.122 -2.194 25461 4908 1 13 . 1 1 49 49 THR HA H 49 4.343 4.343 4.281 0.062 25461 4909 1 13 . 1 1 49 49 THR C C 49 174.948 174.948 174.324 0.624 25461 4910 1 13 . 1 1 49 49 THR CA C 49 62.294 62.294 62.052 0.242 25461 4911 1 13 . 1 1 49 49 THR CB C 49 69.614 69.614 69.120 0.494 25461 4912 1 13 . 1 1 49 49 THR H H 49 8.282 8.282 7.987 0.295 25461 4913 1 13 . 1 1 50 50 GLN N N 50 122.155 122.155 125.395 -3.240 25461 4914 1 13 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.675 -0.288 25461 4915 1 13 . 1 1 50 50 GLN C C 50 176.071 176.071 174.015 2.056 25461 4916 1 13 . 1 1 50 50 GLN CA C 50 56.390 56.390 54.944 1.446 25461 4917 1 13 . 1 1 50 50 GLN CB C 50 29.226 29.226 30.490 -1.264 25461 4918 1 13 . 1 1 50 50 GLN H H 50 8.401 8.401 8.557 -0.156 25461 4919 1 13 . 1 1 51 51 ASN N N 51 119.604 119.604 118.265 1.339 25461 4920 1 13 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.747 -0.109 25461 4921 1 13 . 1 1 51 51 ASN C C 51 175.275 175.275 174.208 1.067 25461 4922 1 13 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.876 0.774 25461 4923 1 13 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.404 -0.547 25461 4924 1 13 . 1 1 51 51 ASN H H 51 8.395 8.395 8.179 0.216 25461 4925 1 13 . 1 1 52 52 ALA N N 52 124.054 124.054 123.844 0.210 25461 4926 1 13 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.483 -0.221 25461 4927 1 13 . 1 1 52 52 ALA C C 52 177.915 177.915 176.450 1.465 25461 4928 1 13 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.634 0.457 25461 4929 1 13 . 1 1 52 52 ALA CB C 52 19.174 19.174 18.185 0.989 25461 4930 1 13 . 1 1 52 52 ALA H H 52 8.227 8.227 8.497 -0.270 25461 4931 1 13 . 1 1 53 53 LEU N N 53 120.325 120.325 122.771 -2.446 25461 4932 1 13 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.682 -0.390 25461 4933 1 13 . 1 1 53 53 LEU C C 53 177.531 177.531 177.418 0.113 25461 4934 1 13 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.528 0.915 25461 4935 1 13 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.675 -2.468 25461 4936 1 13 . 1 1 53 53 LEU H H 53 8.097 8.097 8.192 -0.095 25461 4937 1 13 . 1 1 54 54 ARG N N 54 121.409 121.409 119.648 1.761 25461 4938 1 13 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.400 -0.067 25461 4939 1 13 . 1 1 54 54 ARG C C 54 176.332 176.332 176.188 0.144 25461 4940 1 13 . 1 1 54 54 ARG CA C 54 56.187 56.187 57.015 -0.828 25461 4941 1 13 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.753 -0.017 25461 4942 1 13 . 1 1 54 54 ARG H H 54 8.155 8.155 8.444 -0.289 25461 4943 1 13 . 1 1 55 55 ARG N N 55 122.380 122.380 119.833 2.547 25461 4944 1 13 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.353 0.065 25461 4945 1 13 . 1 1 55 55 ARG C C 55 176.563 176.563 176.156 0.407 25461 4946 1 13 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.562 -0.273 25461 4947 1 13 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.631 0.207 25461 4948 1 13 . 1 1 55 55 ARG H H 55 8.389 8.389 7.848 0.541 25461 4949 1 13 . 1 1 56 56 THR N N 56 114.693 114.693 111.515 3.178 25461 4950 1 13 . 1 1 56 56 THR HA H 56 4.372 4.372 4.502 -0.130 25461 4951 1 13 . 1 1 56 56 THR C C 56 175.062 175.062 174.400 0.662 25461 4952 1 13 . 1 1 56 56 THR CA C 56 61.926 61.926 61.831 0.095 25461 4953 1 13 . 1 1 56 56 THR CB C 56 70.016 70.016 69.373 0.643 25461 4954 1 13 . 1 1 56 56 THR H H 56 8.204 8.204 8.276 -0.072 25461 4955 1 13 . 1 1 57 57 GLY N N 57 111.042 111.042 112.155 -1.113 25461 4956 1 13 . 1 1 57 57 GLY C C 57 173.868 173.868 173.587 0.281 25461 4957 1 13 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.551 -0.260 25461 4958 1 13 . 1 1 57 57 GLY H H 57 8.424 8.424 8.349 0.075 25461 4959 1 13 . 1 1 58 58 ARG N N 58 120.824 120.824 119.990 0.834 25461 4960 1 13 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.366 0.020 25461 4961 1 13 . 1 1 58 58 ARG C C 58 176.522 176.522 174.523 1.999 25461 4962 1 13 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.066 1.046 25461 4963 1 13 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.693 0.381 25461 4964 1 13 . 1 1 58 58 ARG H H 58 8.232 8.232 7.764 0.468 25461 4965 1 13 . 1 1 59 59 VAL N N 59 121.437 121.437 121.804 -0.367 25461 4966 1 13 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.321 -0.201 25461 4967 1 13 . 1 1 59 59 VAL C C 59 176.022 176.022 174.871 1.151 25461 4968 1 13 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.498 -0.085 25461 4969 1 13 . 1 1 59 59 VAL CB C 59 32.815 32.815 31.994 0.821 25461 4970 1 13 . 1 1 59 59 VAL H H 59 8.307 8.307 8.468 -0.161 25461 4971 1 13 . 1 1 60 60 ASN N N 60 122.487 122.487 123.815 -1.328 25461 4972 1 13 . 1 1 60 60 ASN HA H 60 4.737 4.737 5.124 -0.387 25461 4973 1 13 . 1 1 60 60 ASN C C 60 175.521 175.521 175.170 0.351 25461 4974 1 13 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.496 0.879 25461 4975 1 13 . 1 1 60 60 ASN CB C 60 39.098 39.098 41.186 -2.088 25461 4976 1 13 . 1 1 60 60 ASN H H 60 8.593 8.593 8.556 0.037 25461 4977 1 13 . 1 1 61 61 GLY N N 61 109.681 109.681 107.547 2.134 25461 4978 1 13 . 1 1 61 61 GLY C C 61 174.361 174.361 173.546 0.815 25461 4979 1 13 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.871 0.628 25461 4980 1 13 . 1 1 61 61 GLY H H 61 8.407 8.407 8.641 -0.234 25461 4981 1 13 . 1 1 62 62 GLY N N 62 108.197 108.197 108.021 0.176 25461 4982 1 13 . 1 1 62 62 GLY C C 62 173.866 173.866 173.467 0.399 25461 4983 1 13 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.910 0.202 25461 4984 1 13 . 1 1 62 62 GLY H H 62 8.209 8.209 8.094 0.115 25461 4985 1 13 . 1 1 63 63 HIS N N 63 121.370 121.370 120.144 1.226 25461 4986 1 13 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.060 -0.261 25461 4987 1 13 . 1 1 63 63 HIS C C 63 173.562 173.562 173.944 -0.382 25461 4988 1 13 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.797 1.050 25461 4989 1 13 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.204 -1.032 25461 4990 1 13 . 1 1 63 63 HIS H H 63 8.587 8.587 8.617 -0.030 25461 4991 1 13 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.502 -0.041 25461 4992 1 13 . 1 1 64 64 PRO C C 64 176.406 176.406 176.224 0.182 25461 4993 1 13 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.061 0.027 25461 4994 1 13 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.027 -0.024 25461 4995 1 13 . 1 1 65 65 VAL N N 65 122.214 122.214 117.932 4.282 25461 4996 1 13 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.741 -0.387 25461 4997 1 13 . 1 1 65 65 VAL C C 65 176.217 176.217 175.048 1.169 25461 4998 1 13 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.410 2.822 25461 4999 1 13 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.387 -0.033 25461 5000 1 13 . 1 1 65 65 VAL H H 65 8.436 8.436 8.129 0.307 25461 5001 1 13 . 1 1 66 66 THR N N 66 118.215 118.215 116.131 2.084 25461 5002 1 13 . 1 1 66 66 THR HA H 66 4.844 4.844 4.814 0.030 25461 5003 1 13 . 1 1 66 66 THR C C 66 175.632 175.632 174.927 0.705 25461 5004 1 13 . 1 1 66 66 THR CA C 66 59.250 59.250 60.117 -0.867 25461 5005 1 13 . 1 1 66 66 THR CB C 66 71.632 71.632 71.537 0.095 25461 5006 1 13 . 1 1 66 66 THR H H 66 7.765 7.765 8.074 -0.309 25461 5007 1 13 . 1 1 67 67 THR N N 67 116.809 116.809 117.353 -0.544 25461 5008 1 13 . 1 1 67 67 THR HA H 67 3.846 3.846 3.813 0.033 25461 5009 1 13 . 1 1 67 67 THR C C 67 176.323 176.323 176.497 -0.174 25461 5010 1 13 . 1 1 67 67 THR CA C 67 66.206 66.206 66.311 -0.105 25461 5011 1 13 . 1 1 67 67 THR CB C 67 68.417 68.417 68.588 -0.172 25461 5012 1 13 . 1 1 67 67 THR H H 67 8.901 8.901 8.524 0.377 25461 5013 1 13 . 1 1 68 68 GLN N N 68 120.255 120.255 119.509 0.746 25461 5014 1 13 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.221 -0.138 25461 5015 1 13 . 1 1 68 68 GLN C C 68 179.056 179.056 178.272 0.784 25461 5016 1 13 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.544 1.110 25461 5017 1 13 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.921 0.010 25461 5018 1 13 . 1 1 68 68 GLN H H 68 8.290 8.290 8.793 -0.503 25461 5019 1 13 . 1 1 69 69 MET N N 69 120.434 120.434 118.686 1.748 25461 5020 1 13 . 1 1 69 69 MET HA H 69 3.918 3.918 4.164 -0.246 25461 5021 1 13 . 1 1 69 69 MET C C 69 177.390 177.390 178.134 -0.744 25461 5022 1 13 . 1 1 69 69 MET CA C 69 59.757 59.757 58.901 0.856 25461 5023 1 13 . 1 1 69 69 MET CB C 69 35.178 35.178 32.333 2.845 25461 5024 1 13 . 1 1 69 69 MET H H 69 7.718 7.718 7.928 -0.210 25461 5025 1 13 . 1 1 70 70 VAL N N 70 118.137 118.137 119.520 -1.383 25461 5026 1 13 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.497 -0.163 25461 5027 1 13 . 1 1 70 70 VAL C C 70 177.985 177.985 177.733 0.252 25461 5028 1 13 . 1 1 70 70 VAL CA C 70 66.374 66.374 67.393 -1.019 25461 5029 1 13 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.034 0.655 25461 5030 1 13 . 1 1 70 70 VAL H H 70 7.322 7.322 7.410 -0.088 25461 5031 1 13 . 1 1 71 71 GLU N N 71 118.717 118.717 118.506 0.211 25461 5032 1 13 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.876 0.056 25461 5033 1 13 . 1 1 71 71 GLU C C 71 178.984 178.984 178.979 0.005 25461 5034 1 13 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.535 -0.207 25461 5035 1 13 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.786 0.796 25461 5036 1 13 . 1 1 71 71 GLU H H 71 8.446 8.446 8.151 0.295 25461 5037 1 13 . 1 1 72 72 THR N N 72 116.413 116.413 117.591 -1.178 25461 5038 1 13 . 1 1 72 72 THR HA H 72 3.885 3.885 3.940 -0.055 25461 5039 1 13 . 1 1 72 72 THR C C 72 176.837 176.837 176.654 0.183 25461 5040 1 13 . 1 1 72 72 THR CA C 72 66.924 66.924 66.821 0.103 25461 5041 1 13 . 1 1 72 72 THR CB C 72 68.594 68.594 68.451 0.143 25461 5042 1 13 . 1 1 72 72 THR H H 72 8.055 8.055 7.870 0.185 25461 5043 1 13 . 1 1 73 73 VAL N N 73 119.440 119.440 120.880 -1.440 25461 5044 1 13 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.509 -0.148 25461 5045 1 13 . 1 1 73 73 VAL C C 73 177.119 177.119 177.775 -0.656 25461 5046 1 13 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.785 -0.312 25461 5047 1 13 . 1 1 73 73 VAL CB C 73 30.913 30.913 30.939 -0.026 25461 5048 1 13 . 1 1 73 73 VAL H H 73 7.521 7.521 7.769 -0.248 25461 5049 1 13 . 1 1 74 74 GLN N N 74 120.105 120.105 118.990 1.115 25461 5050 1 13 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.807 -0.166 25461 5051 1 13 . 1 1 74 74 GLN C C 74 177.761 177.761 178.441 -0.680 25461 5052 1 13 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.577 0.147 25461 5053 1 13 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.341 0.956 25461 5054 1 13 . 1 1 74 74 GLN H H 74 8.884 8.884 8.388 0.496 25461 5055 1 13 . 1 1 75 75 ASN N N 75 113.460 113.460 117.648 -4.188 25461 5056 1 13 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.424 -0.062 25461 5057 1 13 . 1 1 75 75 ASN C C 75 176.122 176.122 177.620 -1.498 25461 5058 1 13 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.823 -0.332 25461 5059 1 13 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.613 0.359 25461 5060 1 13 . 1 1 75 75 ASN H H 75 7.472 7.472 8.196 -0.724 25461 5061 1 13 . 1 1 76 76 LEU N N 76 118.225 118.225 117.108 1.117 25461 5062 1 13 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.396 -0.089 25461 5063 1 13 . 1 1 76 76 LEU C C 76 175.358 175.358 176.827 -1.469 25461 5064 1 13 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.030 -0.652 25461 5065 1 13 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.384 1.052 25461 5066 1 13 . 1 1 76 76 LEU H H 76 7.130 7.130 7.648 -0.518 25461 5067 1 13 . 1 1 77 77 ALA N N 77 122.753 122.753 119.577 3.176 25461 5068 1 13 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.528 -0.082 25461 5069 1 13 . 1 1 77 77 ALA C C 77 173.976 173.976 175.081 -1.105 25461 5070 1 13 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.783 -0.361 25461 5071 1 13 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.196 -0.813 25461 5072 1 13 . 1 1 77 77 ALA H H 77 7.784 7.784 7.694 0.090 25461 5073 1 13 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.380 0.006 25461 5074 1 13 . 1 1 78 78 PRO C C 78 177.311 177.311 176.487 0.824 25461 5075 1 13 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.614 0.984 25461 5076 1 13 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.580 0.561 25461 5077 1 13 . 1 1 79 79 ASN N N 79 111.571 111.571 116.477 -4.906 25461 5078 1 13 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.634 0.120 25461 5079 1 13 . 1 1 79 79 ASN C C 79 175.765 175.765 175.501 0.264 25461 5080 1 13 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.333 -0.171 25461 5081 1 13 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.274 -1.392 25461 5082 1 13 . 1 1 79 79 ASN H H 79 7.868 7.868 8.159 -0.291 25461 5083 1 13 . 1 1 80 80 LEU N N 80 119.219 119.219 119.999 -0.780 25461 5084 1 13 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.281 0.087 25461 5085 1 13 . 1 1 80 80 LEU C C 80 175.715 175.715 175.601 0.114 25461 5086 1 13 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.944 -0.095 25461 5087 1 13 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.516 -0.344 25461 5088 1 13 . 1 1 80 80 LEU H H 80 7.176 7.176 7.445 -0.269 25461 5089 1 13 . 1 1 81 81 HIS N N 81 123.894 123.894 121.166 2.728 25461 5090 1 13 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.745 -0.003 25461 5091 1 13 . 1 1 81 81 HIS C C 81 176.185 176.185 174.469 1.716 25461 5092 1 13 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.902 0.590 25461 5093 1 13 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.715 0.461 25461 5094 1 13 . 1 1 81 81 HIS H H 81 9.023 9.023 8.072 0.951 25461 5095 1 13 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.317 -0.304 25461 5096 1 13 . 1 1 82 82 PRO C C 82 178.774 178.774 178.421 0.353 25461 5097 1 13 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.394 1.001 25461 5098 1 13 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.243 -0.208 25461 5099 1 13 . 1 1 83 83 GLU N N 83 120.128 120.128 118.714 1.414 25461 5100 1 13 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.195 0.215 25461 5101 1 13 . 1 1 83 83 GLU C C 83 181.651 181.651 178.855 2.796 25461 5102 1 13 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.946 0.283 25461 5103 1 13 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.423 -0.127 25461 5104 1 13 . 1 1 83 83 GLU H H 83 11.938 11.938 8.135 3.803 25461 5105 1 13 . 1 1 84 84 GLN N N 84 117.052 117.052 119.742 -2.690 25461 5106 1 13 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.772 0.209 25461 5107 1 13 . 1 1 84 84 GLN C C 84 179.958 179.958 178.547 1.411 25461 5108 1 13 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.688 0.262 25461 5109 1 13 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.487 2.183 25461 5110 1 13 . 1 1 84 84 GLN H H 84 7.467 7.467 7.453 0.014 25461 5111 1 13 . 1 1 85 85 ILE N N 85 120.448 120.448 120.407 0.041 25461 5112 1 13 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.597 -0.264 25461 5113 1 13 . 1 1 85 85 ILE C C 85 176.960 176.960 177.439 -0.479 25461 5114 1 13 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.445 1.083 25461 5115 1 13 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.562 0.250 25461 5116 1 13 . 1 1 85 85 ILE H H 85 7.750 7.750 7.781 -0.031 25461 5117 1 13 . 1 1 86 86 ARG N N 86 119.593 119.593 119.406 0.187 25461 5118 1 13 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.878 -0.155 25461 5119 1 13 . 1 1 86 86 ARG C C 86 177.115 177.115 178.386 -1.271 25461 5120 1 13 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.509 1.310 25461 5121 1 13 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.694 0.532 25461 5122 1 13 . 1 1 86 86 ARG H H 86 8.868 8.868 7.629 1.239 25461 5123 1 13 . 1 1 87 87 TYR N N 87 116.869 116.869 120.755 -3.886 25461 5124 1 13 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.389 0.111 25461 5125 1 13 . 1 1 87 87 TYR C C 87 177.597 177.597 178.229 -0.632 25461 5126 1 13 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.095 0.028 25461 5127 1 13 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.332 0.103 25461 5128 1 13 . 1 1 87 87 TYR H H 87 7.684 7.684 7.798 -0.114 25461 5129 1 13 . 1 1 88 88 SER N N 88 110.655 110.655 116.113 -5.458 25461 5130 1 13 . 1 1 88 88 SER HA H 88 4.155 4.155 3.940 0.215 25461 5131 1 13 . 1 1 88 88 SER C C 88 177.666 177.666 176.742 0.924 25461 5132 1 13 . 1 1 88 88 SER CA C 88 61.207 61.207 62.043 -0.836 25461 5133 1 13 . 1 1 88 88 SER CB C 88 62.880 62.880 62.800 0.080 25461 5134 1 13 . 1 1 88 88 SER H H 88 7.510 7.510 8.426 -0.916 25461 5135 1 13 . 1 1 89 89 LEU N N 89 119.356 119.356 122.821 -3.465 25461 5136 1 13 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.090 0.103 25461 5137 1 13 . 1 1 89 89 LEU C C 89 180.057 180.057 179.669 0.388 25461 5138 1 13 . 1 1 89 89 LEU CA C 89 57.377 57.377 58.025 -0.648 25461 5139 1 13 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.699 1.646 25461 5140 1 13 . 1 1 89 89 LEU H H 89 8.522 8.522 8.898 -0.376 25461 5141 1 13 . 1 1 90 90 GLU N N 90 120.190 120.190 119.366 0.824 25461 5142 1 13 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.207 -0.091 25461 5143 1 13 . 1 1 90 90 GLU C C 90 177.812 177.812 179.406 -1.594 25461 5144 1 13 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.493 -0.451 25461 5145 1 13 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.320 0.673 25461 5146 1 13 . 1 1 90 90 GLU H H 90 8.511 8.511 7.991 0.520 25461 5147 1 13 . 1 1 91 91 ASN N N 91 115.736 115.736 116.567 -0.831 25461 5148 1 13 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.508 0.178 25461 5149 1 13 . 1 1 91 91 ASN C C 91 177.109 177.109 176.851 0.258 25461 5150 1 13 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.817 -0.127 25461 5151 1 13 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.662 1.824 25461 5152 1 13 . 1 1 91 91 ASN H H 91 7.465 7.465 7.874 -0.409 25461 5153 1 13 . 1 1 92 92 THR N N 92 110.330 110.330 109.457 0.873 25461 5154 1 13 . 1 1 92 92 THR HA H 92 4.142 4.142 4.134 0.008 25461 5155 1 13 . 1 1 92 92 THR C C 92 176.599 176.599 176.020 0.579 25461 5156 1 13 . 1 1 92 92 THR CA C 92 62.581 62.581 63.169 -0.588 25461 5157 1 13 . 1 1 92 92 THR CB C 92 70.198 70.198 70.327 -0.129 25461 5158 1 13 . 1 1 92 92 THR H H 92 9.251 9.251 8.076 1.175 25461 5159 1 13 . 1 1 93 93 GLY N N 93 112.211 112.211 111.295 0.916 25461 5160 1 13 . 1 1 93 93 GLY C C 93 174.132 174.132 173.677 0.455 25461 5161 1 13 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.952 0.719 25461 5162 1 13 . 1 1 93 93 GLY H H 93 8.682 8.682 8.239 0.443 25461 5163 1 13 . 1 1 94 94 SER N N 94 111.808 111.808 115.470 -3.662 25461 5164 1 13 . 1 1 94 94 SER HA H 94 4.784 4.784 4.764 0.020 25461 5165 1 13 . 1 1 94 94 SER C C 94 173.862 173.862 174.470 -0.608 25461 5166 1 13 . 1 1 94 94 SER CA C 94 56.221 56.221 57.232 -1.011 25461 5167 1 13 . 1 1 94 94 SER CB C 94 64.454 64.454 66.199 -1.745 25461 5168 1 13 . 1 1 94 94 SER H H 94 8.058 8.058 7.326 0.732 25461 5169 1 13 . 1 1 95 95 VAL N N 95 129.818 129.818 127.330 2.488 25461 5170 1 13 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.580 -0.223 25461 5171 1 13 . 1 1 95 95 VAL C C 95 176.909 176.909 177.403 -0.494 25461 5172 1 13 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.189 -0.383 25461 5173 1 13 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.794 0.525 25461 5174 1 13 . 1 1 95 95 VAL H H 95 8.983 8.983 8.886 0.097 25461 5175 1 13 . 1 1 96 96 GLU N N 96 117.745 117.745 118.851 -1.106 25461 5176 1 13 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.972 -0.148 25461 5177 1 13 . 1 1 96 96 GLU C C 96 179.126 179.126 178.591 0.535 25461 5178 1 13 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.799 1.026 25461 5179 1 13 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.626 0.383 25461 5180 1 13 . 1 1 96 96 GLU H H 96 8.673 8.673 8.666 0.007 25461 5181 1 13 . 1 1 97 97 GLU N N 97 120.049 120.049 119.650 0.399 25461 5182 1 13 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.118 0.028 25461 5183 1 13 . 1 1 97 97 GLU C C 97 178.947 178.947 178.837 0.110 25461 5184 1 13 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.104 -0.163 25461 5185 1 13 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.000 0.744 25461 5186 1 13 . 1 1 97 97 GLU H H 97 8.125 8.125 8.525 -0.400 25461 5187 1 13 . 1 1 98 98 THR N N 98 118.623 118.623 116.520 2.103 25461 5188 1 13 . 1 1 98 98 THR HA H 98 3.805 3.805 4.075 -0.270 25461 5189 1 13 . 1 1 98 98 THR C C 98 175.676 175.676 176.904 -1.228 25461 5190 1 13 . 1 1 98 98 THR CA C 98 70.162 70.162 67.178 2.984 25461 5191 1 13 . 1 1 98 98 THR CB C 98 69.317 69.317 68.614 0.703 25461 5192 1 13 . 1 1 98 98 THR H H 98 8.038 8.038 7.668 0.370 25461 5193 1 13 . 1 1 99 99 VAL N N 99 120.683 120.683 121.002 -0.319 25461 5194 1 13 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.751 -0.210 25461 5195 1 13 . 1 1 99 99 VAL C C 99 177.456 177.456 177.735 -0.279 25461 5196 1 13 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.715 1.209 25461 5197 1 13 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.363 0.203 25461 5198 1 13 . 1 1 99 99 VAL H H 99 8.724 8.724 8.453 0.271 25461 5199 1 13 . 1 1 100 100 GLU N N 100 120.914 120.914 120.391 0.523 25461 5200 1 13 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.039 -0.025 25461 5201 1 13 . 1 1 100 100 GLU C C 100 179.857 179.857 179.254 0.603 25461 5202 1 13 . 1 1 100 100 GLU CA C 100 60.220 60.220 60.046 0.174 25461 5203 1 13 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.519 -0.311 25461 5204 1 13 . 1 1 100 100 GLU H H 100 8.324 8.324 8.264 0.060 25461 5205 1 13 . 1 1 101 101 ARG N N 101 118.451 118.451 118.187 0.264 25461 5206 1 13 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.117 -0.244 25461 5207 1 13 . 1 1 101 101 ARG C C 101 178.078 178.078 178.275 -0.197 25461 5208 1 13 . 1 1 101 101 ARG CA C 101 59.978 59.978 59.205 0.773 25461 5209 1 13 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.801 0.145 25461 5210 1 13 . 1 1 101 101 ARG H H 101 8.197 8.197 8.639 -0.442 25461 5211 1 13 . 1 1 102 102 TYR N N 102 119.888 119.888 123.992 -4.104 25461 5212 1 13 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.458 0.017 25461 5213 1 13 . 1 1 102 102 TYR C C 102 180.056 180.056 178.235 1.821 25461 5214 1 13 . 1 1 102 102 TYR CA C 102 61.526 61.526 60.988 0.538 25461 5215 1 13 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.405 -0.889 25461 5216 1 13 . 1 1 102 102 TYR H H 102 8.180 8.180 8.159 0.021 25461 5217 1 13 . 1 1 103 103 LEU N N 103 122.091 122.091 118.449 3.642 25461 5218 1 13 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.646 0.185 25461 5219 1 13 . 1 1 103 103 LEU C C 103 178.973 178.973 178.129 0.844 25461 5220 1 13 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.246 0.179 25461 5221 1 13 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.333 0.289 25461 5222 1 13 . 1 1 103 103 LEU H H 103 9.050 9.050 8.218 0.832 25461 5223 1 13 . 1 1 104 104 ARG N N 104 116.388 116.388 119.023 -2.635 25461 5224 1 13 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.338 0.038 25461 5225 1 13 . 1 1 104 104 ARG C C 104 176.877 176.877 177.242 -0.365 25461 5226 1 13 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.253 0.319 25461 5227 1 13 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.783 -0.305 25461 5228 1 13 . 1 1 104 104 ARG H H 104 7.888 7.888 7.849 0.039 25461 5229 1 13 . 1 1 105 105 GLY N N 105 107.432 107.432 108.770 -1.338 25461 5230 1 13 . 1 1 105 105 GLY C C 105 174.796 174.796 174.382 0.414 25461 5231 1 13 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.872 0.460 25461 5232 1 13 . 1 1 105 105 GLY H H 105 7.688 7.688 7.971 -0.283 25461 5233 1 13 . 1 1 106 106 ASP N N 106 121.505 121.505 121.026 0.479 25461 5234 1 13 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.655 -0.274 25461 5235 1 13 . 1 1 106 106 ASP C C 106 175.595 175.595 176.314 -0.719 25461 5236 1 13 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.796 0.241 25461 5237 1 13 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.220 -1.649 25461 5238 1 13 . 1 1 106 106 ASP H H 106 7.878 7.878 8.122 -0.244 25461 5239 1 13 . 1 1 107 107 GLU N N 107 119.581 119.581 119.396 0.185 25461 5240 1 13 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.451 -0.069 25461 5241 1 13 . 1 1 107 107 GLU C C 107 177.123 177.123 175.598 1.525 25461 5242 1 13 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.800 -0.325 25461 5243 1 13 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.470 0.052 25461 5244 1 13 . 1 1 107 107 GLU H H 107 8.394 8.394 8.351 0.043 25461 5245 1 13 . 1 1 108 108 PHE N N 108 126.975 126.975 122.885 4.090 25461 5246 1 13 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.912 -0.290 25461 5247 1 13 . 1 1 108 108 PHE C C 108 176.186 176.186 175.546 0.640 25461 5248 1 13 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.008 0.222 25461 5249 1 13 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.300 -0.056 25461 5250 1 13 . 1 1 108 108 PHE H H 108 9.373 9.373 8.747 0.626 25461 5251 1 13 . 1 1 109 109 SER N N 109 121.198 121.198 118.874 2.324 25461 5252 1 13 . 1 1 109 109 SER HA H 109 4.582 4.582 4.768 -0.186 25461 5253 1 13 . 1 1 109 109 SER C C 109 175.060 175.060 173.120 1.940 25461 5254 1 13 . 1 1 109 109 SER CA C 109 58.928 58.928 57.777 1.151 25461 5255 1 13 . 1 1 109 109 SER CB C 109 64.213 64.213 64.683 -0.470 25461 5256 1 13 . 1 1 109 109 SER H H 109 8.694 8.694 8.531 0.163 25461 5257 1 13 . 1 1 110 110 PHE N N 110 121.734 121.734 119.511 2.223 25461 5258 1 13 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.600 -0.413 25461 5259 1 13 . 1 1 110 110 PHE C C 110 172.930 172.930 173.511 -0.581 25461 5260 1 13 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.492 2.257 25461 5261 1 13 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.818 -1.321 25461 5262 1 13 . 1 1 110 110 PHE H H 110 8.965 8.965 8.409 0.556 25461 5263 1 13 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.492 -0.143 25461 5264 1 13 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.131 -0.059 25461 5265 1 13 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.184 0.134 25461 5266 1 13 . 1 1 112 112 PRO C C 112 177.703 177.703 177.689 0.014 25461 5267 1 13 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.618 -0.029 25461 5268 1 13 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.673 0.085 25461 5269 1 13 . 1 1 113 113 GLY N N 113 110.960 110.960 109.465 1.495 25461 5270 1 13 . 1 1 113 113 GLY C C 113 174.074 174.074 174.408 -0.334 25461 5271 1 13 . 1 1 113 113 GLY CA C 113 45.160 45.160 44.968 0.193 25461 5272 1 13 . 1 1 113 113 GLY H H 113 8.682 8.682 8.618 0.064 25461 5273 1 13 . 1 1 114 114 PHE N N 114 120.992 120.992 121.814 -0.822 25461 5274 1 13 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.456 -0.146 25461 5275 1 13 . 1 1 114 114 PHE C C 114 174.567 174.567 176.392 -1.825 25461 5276 1 13 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.176 0.148 25461 5277 1 13 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.928 0.221 25461 5278 1 13 . 1 1 114 114 PHE H H 114 7.771 7.771 7.988 -0.217 25461 5279 1 14 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.599 -0.242 25461 5280 1 14 . 1 1 42 42 ALA C C 42 177.825 177.825 178.025 -0.200 25461 5281 1 14 . 1 1 42 42 ALA CA C 42 52.674 52.674 51.604 1.070 25461 5282 1 14 . 1 1 42 42 ALA CB C 42 19.452 19.452 18.901 0.551 25461 5283 1 14 . 1 1 43 43 MET N N 43 119.667 119.667 120.478 -0.811 25461 5284 1 14 . 1 1 43 43 MET HA H 43 4.549 4.549 4.257 0.292 25461 5285 1 14 . 1 1 43 43 MET C C 43 176.478 176.478 177.332 -0.854 25461 5286 1 14 . 1 1 43 43 MET CA C 43 55.344 55.344 55.262 0.082 25461 5287 1 14 . 1 1 43 43 MET CB C 43 33.129 33.129 32.550 0.579 25461 5288 1 14 . 1 1 43 43 MET H H 43 8.507 8.507 7.981 0.526 25461 5289 1 14 . 1 1 44 44 GLY N N 44 110.244 110.244 109.944 0.300 25461 5290 1 14 . 1 1 44 44 GLY C C 44 172.009 172.009 173.261 -1.252 25461 5291 1 14 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.602 0.040 25461 5292 1 14 . 1 1 44 44 GLY H H 44 8.251 8.251 8.424 -0.173 25461 5293 1 14 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.540 -0.107 25461 5294 1 14 . 1 1 45 45 PRO C C 45 177.510 177.510 176.836 0.674 25461 5295 1 14 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.450 0.955 25461 5296 1 14 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.560 -0.454 25461 5297 1 14 . 1 1 46 46 GLN N N 46 120.607 120.607 117.650 2.957 25461 5298 1 14 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.402 -0.056 25461 5299 1 14 . 1 1 46 46 GLN C C 46 176.687 176.687 176.123 0.564 25461 5300 1 14 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.812 0.244 25461 5301 1 14 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.210 0.213 25461 5302 1 14 . 1 1 46 46 GLN H H 46 8.628 8.628 8.279 0.349 25461 5303 1 14 . 1 1 47 47 GLY N N 47 110.011 110.011 106.811 3.200 25461 5304 1 14 . 1 1 47 47 GLY C C 47 174.308 174.308 174.212 0.096 25461 5305 1 14 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.727 -0.293 25461 5306 1 14 . 1 1 47 47 GLY H H 47 8.411 8.411 8.738 -0.327 25461 5307 1 14 . 1 1 48 48 SER N N 48 115.646 115.646 114.674 0.972 25461 5308 1 14 . 1 1 48 48 SER HA H 48 4.542 4.542 4.870 -0.328 25461 5309 1 14 . 1 1 48 48 SER C C 48 175.288 175.288 173.146 2.142 25461 5310 1 14 . 1 1 48 48 SER CA C 48 58.437 58.437 57.737 0.700 25461 5311 1 14 . 1 1 48 48 SER CB C 48 63.965 63.965 64.248 -0.283 25461 5312 1 14 . 1 1 48 48 SER H H 48 8.284 8.284 7.915 0.369 25461 5313 1 14 . 1 1 49 49 THR N N 49 115.928 115.928 114.945 0.983 25461 5314 1 14 . 1 1 49 49 THR HA H 49 4.343 4.343 4.579 -0.236 25461 5315 1 14 . 1 1 49 49 THR C C 49 174.948 174.948 173.908 1.040 25461 5316 1 14 . 1 1 49 49 THR CA C 49 62.294 62.294 61.545 0.748 25461 5317 1 14 . 1 1 49 49 THR CB C 49 69.614 69.614 69.567 0.047 25461 5318 1 14 . 1 1 49 49 THR H H 49 8.282 8.282 7.901 0.381 25461 5319 1 14 . 1 1 50 50 GLN N N 50 122.155 122.155 121.730 0.425 25461 5320 1 14 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.463 -0.076 25461 5321 1 14 . 1 1 50 50 GLN C C 50 176.071 176.071 174.765 1.306 25461 5322 1 14 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.675 0.715 25461 5323 1 14 . 1 1 50 50 GLN CB C 50 29.226 29.226 28.863 0.363 25461 5324 1 14 . 1 1 50 50 GLN H H 50 8.401 8.401 8.565 -0.164 25461 5325 1 14 . 1 1 51 51 ASN N N 51 119.604 119.604 120.524 -0.920 25461 5326 1 14 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.930 -0.292 25461 5327 1 14 . 1 1 51 51 ASN C C 51 175.275 175.275 174.294 0.981 25461 5328 1 14 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.134 0.516 25461 5329 1 14 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.457 -0.600 25461 5330 1 14 . 1 1 51 51 ASN H H 51 8.395 8.395 8.500 -0.105 25461 5331 1 14 . 1 1 52 52 ALA N N 52 124.054 124.054 123.889 0.165 25461 5332 1 14 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.613 -0.351 25461 5333 1 14 . 1 1 52 52 ALA C C 52 177.915 177.915 176.939 0.976 25461 5334 1 14 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.787 1.304 25461 5335 1 14 . 1 1 52 52 ALA CB C 52 19.174 19.174 20.220 -1.046 25461 5336 1 14 . 1 1 52 52 ALA H H 52 8.227 8.227 8.221 0.006 25461 5337 1 14 . 1 1 53 53 LEU N N 53 120.325 120.325 117.267 3.058 25461 5338 1 14 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.784 -0.492 25461 5339 1 14 . 1 1 53 53 LEU C C 53 177.531 177.531 176.578 0.953 25461 5340 1 14 . 1 1 53 53 LEU CA C 53 55.443 55.443 55.179 0.264 25461 5341 1 14 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.727 -0.520 25461 5342 1 14 . 1 1 53 53 LEU H H 53 8.097 8.097 8.380 -0.283 25461 5343 1 14 . 1 1 54 54 ARG N N 54 121.409 121.409 122.012 -0.603 25461 5344 1 14 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.657 -0.324 25461 5345 1 14 . 1 1 54 54 ARG C C 54 176.332 176.332 175.059 1.273 25461 5346 1 14 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.963 0.224 25461 5347 1 14 . 1 1 54 54 ARG CB C 54 30.736 30.736 31.922 -1.186 25461 5348 1 14 . 1 1 54 54 ARG H H 54 8.155 8.155 7.963 0.192 25461 5349 1 14 . 1 1 55 55 ARG N N 55 122.380 122.380 125.323 -2.943 25461 5350 1 14 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.757 -0.339 25461 5351 1 14 . 1 1 55 55 ARG C C 55 176.563 176.563 174.599 1.964 25461 5352 1 14 . 1 1 55 55 ARG CA C 55 56.289 56.289 54.797 1.492 25461 5353 1 14 . 1 1 55 55 ARG CB C 55 30.838 30.838 31.414 -0.576 25461 5354 1 14 . 1 1 55 55 ARG H H 55 8.389 8.389 8.467 -0.078 25461 5355 1 14 . 1 1 56 56 THR N N 56 114.693 114.693 112.427 2.266 25461 5356 1 14 . 1 1 56 56 THR HA H 56 4.372 4.372 4.442 -0.070 25461 5357 1 14 . 1 1 56 56 THR C C 56 175.062 175.062 175.147 -0.085 25461 5358 1 14 . 1 1 56 56 THR CA C 56 61.926 61.926 61.702 0.224 25461 5359 1 14 . 1 1 56 56 THR CB C 56 70.016 70.016 68.886 1.130 25461 5360 1 14 . 1 1 56 56 THR H H 56 8.204 8.204 8.045 0.159 25461 5361 1 14 . 1 1 57 57 GLY N N 57 111.042 111.042 113.886 -2.844 25461 5362 1 14 . 1 1 57 57 GLY C C 57 173.868 173.868 174.731 -0.863 25461 5363 1 14 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.816 0.475 25461 5364 1 14 . 1 1 57 57 GLY H H 57 8.424 8.424 8.519 -0.095 25461 5365 1 14 . 1 1 58 58 ARG N N 58 120.824 120.824 122.339 -1.515 25461 5366 1 14 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.161 0.225 25461 5367 1 14 . 1 1 58 58 ARG C C 58 176.522 176.522 176.291 0.231 25461 5368 1 14 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.735 0.376 25461 5369 1 14 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.811 0.263 25461 5370 1 14 . 1 1 58 58 ARG H H 58 8.232 8.232 8.080 0.152 25461 5371 1 14 . 1 1 59 59 VAL N N 59 121.437 121.437 122.682 -1.245 25461 5372 1 14 . 1 1 59 59 VAL HA H 59 4.120 4.120 3.933 0.187 25461 5373 1 14 . 1 1 59 59 VAL C C 59 176.022 176.022 175.315 0.707 25461 5374 1 14 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.761 -0.348 25461 5375 1 14 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.885 -0.070 25461 5376 1 14 . 1 1 59 59 VAL H H 59 8.307 8.307 8.483 -0.176 25461 5377 1 14 . 1 1 60 60 ASN N N 60 122.487 122.487 118.864 3.623 25461 5378 1 14 . 1 1 60 60 ASN HA H 60 4.737 4.737 5.119 -0.382 25461 5379 1 14 . 1 1 60 60 ASN C C 60 175.521 175.521 174.137 1.384 25461 5380 1 14 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.012 0.363 25461 5381 1 14 . 1 1 60 60 ASN CB C 60 39.098 39.098 41.017 -1.919 25461 5382 1 14 . 1 1 60 60 ASN H H 60 8.593 8.593 8.819 -0.226 25461 5383 1 14 . 1 1 61 61 GLY N N 61 109.681 109.681 107.426 2.255 25461 5384 1 14 . 1 1 61 61 GLY C C 61 174.361 174.361 173.411 0.950 25461 5385 1 14 . 1 1 61 61 GLY CA C 61 45.499 45.499 46.013 -0.514 25461 5386 1 14 . 1 1 61 61 GLY H H 61 8.407 8.407 8.546 -0.139 25461 5387 1 14 . 1 1 62 62 GLY N N 62 108.197 108.197 108.676 -0.479 25461 5388 1 14 . 1 1 62 62 GLY C C 62 173.866 173.866 173.259 0.607 25461 5389 1 14 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.451 0.661 25461 5390 1 14 . 1 1 62 62 GLY H H 62 8.209 8.209 7.947 0.262 25461 5391 1 14 . 1 1 63 63 HIS N N 63 121.370 121.370 118.421 2.949 25461 5392 1 14 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.864 -0.065 25461 5393 1 14 . 1 1 63 63 HIS C C 63 173.562 173.562 173.705 -0.143 25461 5394 1 14 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.941 0.905 25461 5395 1 14 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.715 -1.543 25461 5396 1 14 . 1 1 63 63 HIS H H 63 8.587 8.587 8.388 0.199 25461 5397 1 14 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.587 -0.126 25461 5398 1 14 . 1 1 64 64 PRO C C 64 176.406 176.406 176.445 -0.039 25461 5399 1 14 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.066 0.022 25461 5400 1 14 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.954 0.049 25461 5401 1 14 . 1 1 65 65 VAL N N 65 122.214 122.214 118.719 3.495 25461 5402 1 14 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.744 -0.390 25461 5403 1 14 . 1 1 65 65 VAL C C 65 176.217 176.217 175.655 0.562 25461 5404 1 14 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.600 2.633 25461 5405 1 14 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.300 0.054 25461 5406 1 14 . 1 1 65 65 VAL H H 65 8.436 8.436 8.181 0.255 25461 5407 1 14 . 1 1 66 66 THR N N 66 118.215 118.215 113.129 5.086 25461 5408 1 14 . 1 1 66 66 THR HA H 66 4.844 4.844 4.779 0.065 25461 5409 1 14 . 1 1 66 66 THR C C 66 175.632 175.632 175.069 0.563 25461 5410 1 14 . 1 1 66 66 THR CA C 66 59.250 59.250 60.019 -0.769 25461 5411 1 14 . 1 1 66 66 THR CB C 66 71.632 71.632 71.268 0.364 25461 5412 1 14 . 1 1 66 66 THR H H 66 7.765 7.765 7.997 -0.232 25461 5413 1 14 . 1 1 67 67 THR N N 67 116.809 116.809 116.720 0.089 25461 5414 1 14 . 1 1 67 67 THR HA H 67 3.846 3.846 3.943 -0.097 25461 5415 1 14 . 1 1 67 67 THR C C 67 176.323 176.323 176.470 -0.147 25461 5416 1 14 . 1 1 67 67 THR CA C 67 66.206 66.206 66.065 0.141 25461 5417 1 14 . 1 1 67 67 THR CB C 67 68.417 68.417 68.414 0.003 25461 5418 1 14 . 1 1 67 67 THR H H 67 8.901 8.901 8.473 0.428 25461 5419 1 14 . 1 1 68 68 GLN N N 68 120.255 120.255 120.025 0.230 25461 5420 1 14 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.178 -0.095 25461 5421 1 14 . 1 1 68 68 GLN C C 68 179.056 179.056 178.143 0.913 25461 5422 1 14 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.669 0.985 25461 5423 1 14 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.741 0.191 25461 5424 1 14 . 1 1 68 68 GLN H H 68 8.290 8.290 8.911 -0.621 25461 5425 1 14 . 1 1 69 69 MET N N 69 120.434 120.434 119.350 1.084 25461 5426 1 14 . 1 1 69 69 MET HA H 69 3.918 3.918 4.149 -0.231 25461 5427 1 14 . 1 1 69 69 MET C C 69 177.390 177.390 178.098 -0.708 25461 5428 1 14 . 1 1 69 69 MET CA C 69 59.757 59.757 59.162 0.595 25461 5429 1 14 . 1 1 69 69 MET CB C 69 35.178 35.178 32.201 2.977 25461 5430 1 14 . 1 1 69 69 MET H H 69 7.718 7.718 7.616 0.102 25461 5431 1 14 . 1 1 70 70 VAL N N 70 118.137 118.137 119.246 -1.109 25461 5432 1 14 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.534 -0.200 25461 5433 1 14 . 1 1 70 70 VAL C C 70 177.985 177.985 177.911 0.074 25461 5434 1 14 . 1 1 70 70 VAL CA C 70 66.374 66.374 67.242 -0.868 25461 5435 1 14 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.013 0.676 25461 5436 1 14 . 1 1 70 70 VAL H H 70 7.322 7.322 7.536 -0.214 25461 5437 1 14 . 1 1 71 71 GLU N N 71 118.717 118.717 118.412 0.305 25461 5438 1 14 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.871 0.061 25461 5439 1 14 . 1 1 71 71 GLU C C 71 178.984 178.984 179.107 -0.123 25461 5440 1 14 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.550 -0.222 25461 5441 1 14 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.771 0.811 25461 5442 1 14 . 1 1 71 71 GLU H H 71 8.446 8.446 8.139 0.307 25461 5443 1 14 . 1 1 72 72 THR N N 72 116.413 116.413 117.870 -1.457 25461 5444 1 14 . 1 1 72 72 THR HA H 72 3.885 3.885 3.893 -0.008 25461 5445 1 14 . 1 1 72 72 THR C C 72 176.837 176.837 176.781 0.056 25461 5446 1 14 . 1 1 72 72 THR CA C 72 66.924 66.924 66.683 0.241 25461 5447 1 14 . 1 1 72 72 THR CB C 72 68.594 68.594 68.686 -0.092 25461 5448 1 14 . 1 1 72 72 THR H H 72 8.055 8.055 7.924 0.131 25461 5449 1 14 . 1 1 73 73 VAL N N 73 119.440 119.440 121.484 -2.044 25461 5450 1 14 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.431 -0.070 25461 5451 1 14 . 1 1 73 73 VAL C C 73 177.119 177.119 177.595 -0.476 25461 5452 1 14 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.839 -0.366 25461 5453 1 14 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.367 -0.454 25461 5454 1 14 . 1 1 73 73 VAL H H 73 7.521 7.521 7.725 -0.204 25461 5455 1 14 . 1 1 74 74 GLN N N 74 120.105 120.105 119.208 0.897 25461 5456 1 14 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.914 -0.273 25461 5457 1 14 . 1 1 74 74 GLN C C 74 177.761 177.761 178.028 -0.267 25461 5458 1 14 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.647 0.077 25461 5459 1 14 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.195 1.102 25461 5460 1 14 . 1 1 74 74 GLN H H 74 8.884 8.884 8.581 0.303 25461 5461 1 14 . 1 1 75 75 ASN N N 75 113.460 113.460 117.546 -4.086 25461 5462 1 14 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.450 -0.088 25461 5463 1 14 . 1 1 75 75 ASN C C 75 176.122 176.122 177.610 -1.488 25461 5464 1 14 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.855 -0.364 25461 5465 1 14 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.689 0.283 25461 5466 1 14 . 1 1 75 75 ASN H H 75 7.472 7.472 8.138 -0.666 25461 5467 1 14 . 1 1 76 76 LEU N N 76 118.225 118.225 118.208 0.017 25461 5468 1 14 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.194 0.113 25461 5469 1 14 . 1 1 76 76 LEU C C 76 175.358 175.358 176.321 -0.963 25461 5470 1 14 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.914 -1.536 25461 5471 1 14 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.516 0.920 25461 5472 1 14 . 1 1 76 76 LEU H H 76 7.130 7.130 7.647 -0.517 25461 5473 1 14 . 1 1 77 77 ALA N N 77 122.753 122.753 118.208 4.545 25461 5474 1 14 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.357 0.089 25461 5475 1 14 . 1 1 77 77 ALA C C 77 173.976 173.976 174.814 -0.838 25461 5476 1 14 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.606 0.816 25461 5477 1 14 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.608 -1.225 25461 5478 1 14 . 1 1 77 77 ALA H H 77 7.784 7.784 7.927 -0.143 25461 5479 1 14 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.436 -0.050 25461 5480 1 14 . 1 1 78 78 PRO C C 78 177.311 177.311 176.552 0.759 25461 5481 1 14 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.432 1.166 25461 5482 1 14 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.712 0.428 25461 5483 1 14 . 1 1 79 79 ASN N N 79 111.571 111.571 116.436 -4.865 25461 5484 1 14 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.692 0.062 25461 5485 1 14 . 1 1 79 79 ASN C C 79 175.765 175.765 174.845 0.920 25461 5486 1 14 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.216 -0.054 25461 5487 1 14 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.238 -1.356 25461 5488 1 14 . 1 1 79 79 ASN H H 79 7.868 7.868 8.455 -0.587 25461 5489 1 14 . 1 1 80 80 LEU N N 80 119.219 119.219 119.321 -0.102 25461 5490 1 14 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.498 -0.130 25461 5491 1 14 . 1 1 80 80 LEU C C 80 175.715 175.715 175.046 0.669 25461 5492 1 14 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.353 0.495 25461 5493 1 14 . 1 1 80 80 LEU CB C 80 43.172 43.172 44.943 -1.771 25461 5494 1 14 . 1 1 80 80 LEU H H 80 7.176 7.176 7.239 -0.063 25461 5495 1 14 . 1 1 81 81 HIS N N 81 123.894 123.894 120.845 3.049 25461 5496 1 14 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.848 -0.106 25461 5497 1 14 . 1 1 81 81 HIS C C 81 176.185 176.185 174.379 1.806 25461 5498 1 14 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.928 0.564 25461 5499 1 14 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.910 0.266 25461 5500 1 14 . 1 1 81 81 HIS H H 81 9.023 9.023 8.269 0.754 25461 5501 1 14 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.212 -0.199 25461 5502 1 14 . 1 1 82 82 PRO C C 82 178.774 178.774 178.331 0.443 25461 5503 1 14 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.288 1.107 25461 5504 1 14 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.035 0.000 25461 5505 1 14 . 1 1 83 83 GLU N N 83 120.128 120.128 119.258 0.870 25461 5506 1 14 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.185 0.225 25461 5507 1 14 . 1 1 83 83 GLU C C 83 181.651 181.651 178.582 3.069 25461 5508 1 14 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.151 0.078 25461 5509 1 14 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.402 -0.106 25461 5510 1 14 . 1 1 83 83 GLU H H 83 11.938 11.938 8.446 3.492 25461 5511 1 14 . 1 1 84 84 GLN N N 84 117.052 117.052 119.527 -2.475 25461 5512 1 14 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.875 0.106 25461 5513 1 14 . 1 1 84 84 GLN C C 84 179.958 179.958 178.746 1.212 25461 5514 1 14 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.586 0.364 25461 5515 1 14 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.437 2.233 25461 5516 1 14 . 1 1 84 84 GLN H H 84 7.467 7.467 7.555 -0.088 25461 5517 1 14 . 1 1 85 85 ILE N N 85 120.448 120.448 120.323 0.125 25461 5518 1 14 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.671 -0.338 25461 5519 1 14 . 1 1 85 85 ILE C C 85 176.960 176.960 177.533 -0.573 25461 5520 1 14 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.438 1.090 25461 5521 1 14 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.592 0.221 25461 5522 1 14 . 1 1 85 85 ILE H H 85 7.750 7.750 7.687 0.063 25461 5523 1 14 . 1 1 86 86 ARG N N 86 119.593 119.593 119.670 -0.077 25461 5524 1 14 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.884 -0.161 25461 5525 1 14 . 1 1 86 86 ARG C C 86 177.115 177.115 178.456 -1.341 25461 5526 1 14 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.522 1.297 25461 5527 1 14 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.733 0.493 25461 5528 1 14 . 1 1 86 86 ARG H H 86 8.868 8.868 7.629 1.239 25461 5529 1 14 . 1 1 87 87 TYR N N 87 116.869 116.869 120.362 -3.493 25461 5530 1 14 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.619 -0.119 25461 5531 1 14 . 1 1 87 87 TYR C C 87 177.597 177.597 178.196 -0.599 25461 5532 1 14 . 1 1 87 87 TYR CA C 87 60.123 60.123 59.925 0.198 25461 5533 1 14 . 1 1 87 87 TYR CB C 87 38.435 38.435 37.956 0.479 25461 5534 1 14 . 1 1 87 87 TYR H H 87 7.684 7.684 8.063 -0.379 25461 5535 1 14 . 1 1 88 88 SER N N 88 110.655 110.655 115.888 -5.233 25461 5536 1 14 . 1 1 88 88 SER HA H 88 4.155 4.155 3.853 0.302 25461 5537 1 14 . 1 1 88 88 SER C C 88 177.666 177.666 176.486 1.180 25461 5538 1 14 . 1 1 88 88 SER CA C 88 61.207 61.207 61.662 -0.455 25461 5539 1 14 . 1 1 88 88 SER CB C 88 62.880 62.880 62.835 0.045 25461 5540 1 14 . 1 1 88 88 SER H H 88 7.510 7.510 8.341 -0.831 25461 5541 1 14 . 1 1 89 89 LEU N N 89 119.356 119.356 121.897 -2.541 25461 5542 1 14 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.090 0.103 25461 5543 1 14 . 1 1 89 89 LEU C C 89 180.057 180.057 179.883 0.174 25461 5544 1 14 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.922 -0.546 25461 5545 1 14 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.699 1.646 25461 5546 1 14 . 1 1 89 89 LEU H H 89 8.522 8.522 8.773 -0.251 25461 5547 1 14 . 1 1 90 90 GLU N N 90 120.190 120.190 119.507 0.683 25461 5548 1 14 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.250 -0.134 25461 5549 1 14 . 1 1 90 90 GLU C C 90 177.812 177.812 179.361 -1.549 25461 5550 1 14 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.461 -0.419 25461 5551 1 14 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.463 0.529 25461 5552 1 14 . 1 1 90 90 GLU H H 90 8.511 8.511 8.013 0.498 25461 5553 1 14 . 1 1 91 91 ASN N N 91 115.736 115.736 117.369 -1.633 25461 5554 1 14 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.561 0.125 25461 5555 1 14 . 1 1 91 91 ASN C C 91 177.109 177.109 177.425 -0.316 25461 5556 1 14 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.885 -0.195 25461 5557 1 14 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.742 1.744 25461 5558 1 14 . 1 1 91 91 ASN H H 91 7.465 7.465 7.825 -0.360 25461 5559 1 14 . 1 1 92 92 THR N N 92 110.330 110.330 110.182 0.148 25461 5560 1 14 . 1 1 92 92 THR HA H 92 4.142 4.142 4.064 0.078 25461 5561 1 14 . 1 1 92 92 THR C C 92 176.599 176.599 176.213 0.386 25461 5562 1 14 . 1 1 92 92 THR CA C 92 62.581 62.581 63.964 -1.383 25461 5563 1 14 . 1 1 92 92 THR CB C 92 70.198 70.198 69.909 0.289 25461 5564 1 14 . 1 1 92 92 THR H H 92 9.251 9.251 8.184 1.067 25461 5565 1 14 . 1 1 93 93 GLY N N 93 112.211 112.211 110.442 1.769 25461 5566 1 14 . 1 1 93 93 GLY C C 93 174.132 174.132 173.599 0.533 25461 5567 1 14 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.788 0.883 25461 5568 1 14 . 1 1 93 93 GLY H H 93 8.682 8.682 8.119 0.563 25461 5569 1 14 . 1 1 94 94 SER N N 94 111.808 111.808 115.053 -3.245 25461 5570 1 14 . 1 1 94 94 SER HA H 94 4.784 4.784 4.758 0.026 25461 5571 1 14 . 1 1 94 94 SER C C 94 173.862 173.862 174.588 -0.726 25461 5572 1 14 . 1 1 94 94 SER CA C 94 56.221 56.221 56.952 -0.730 25461 5573 1 14 . 1 1 94 94 SER CB C 94 64.454 64.454 65.935 -1.481 25461 5574 1 14 . 1 1 94 94 SER H H 94 8.058 8.058 7.278 0.780 25461 5575 1 14 . 1 1 95 95 VAL N N 95 129.818 129.818 126.819 2.999 25461 5576 1 14 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.595 -0.238 25461 5577 1 14 . 1 1 95 95 VAL C C 95 176.909 176.909 177.607 -0.698 25461 5578 1 14 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.212 -0.406 25461 5579 1 14 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.788 0.531 25461 5580 1 14 . 1 1 95 95 VAL H H 95 8.983 8.983 8.957 0.026 25461 5581 1 14 . 1 1 96 96 GLU N N 96 117.745 117.745 119.576 -1.831 25461 5582 1 14 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.929 -0.105 25461 5583 1 14 . 1 1 96 96 GLU C C 96 179.126 179.126 178.381 0.745 25461 5584 1 14 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.734 1.091 25461 5585 1 14 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.445 0.564 25461 5586 1 14 . 1 1 96 96 GLU H H 96 8.673 8.673 8.713 -0.040 25461 5587 1 14 . 1 1 97 97 GLU N N 97 120.049 120.049 118.919 1.130 25461 5588 1 14 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.140 0.006 25461 5589 1 14 . 1 1 97 97 GLU C C 97 178.947 178.947 178.837 0.110 25461 5590 1 14 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.074 -0.133 25461 5591 1 14 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.941 0.803 25461 5592 1 14 . 1 1 97 97 GLU H H 97 8.125 8.125 8.682 -0.557 25461 5593 1 14 . 1 1 98 98 THR N N 98 118.623 118.623 116.960 1.663 25461 5594 1 14 . 1 1 98 98 THR HA H 98 3.805 3.805 4.105 -0.300 25461 5595 1 14 . 1 1 98 98 THR C C 98 175.676 175.676 176.760 -1.084 25461 5596 1 14 . 1 1 98 98 THR CA C 98 70.162 70.162 67.374 2.789 25461 5597 1 14 . 1 1 98 98 THR CB C 98 69.317 69.317 68.636 0.681 25461 5598 1 14 . 1 1 98 98 THR H H 98 8.038 8.038 7.518 0.520 25461 5599 1 14 . 1 1 99 99 VAL N N 99 120.683 120.683 121.754 -1.071 25461 5600 1 14 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.696 -0.155 25461 5601 1 14 . 1 1 99 99 VAL C C 99 177.456 177.456 177.452 0.004 25461 5602 1 14 . 1 1 99 99 VAL CA C 99 67.924 67.924 67.129 0.795 25461 5603 1 14 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.507 0.059 25461 5604 1 14 . 1 1 99 99 VAL H H 99 8.724 8.724 8.368 0.356 25461 5605 1 14 . 1 1 100 100 GLU N N 100 120.914 120.914 119.154 1.760 25461 5606 1 14 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.133 -0.119 25461 5607 1 14 . 1 1 100 100 GLU C C 100 179.857 179.857 178.881 0.976 25461 5608 1 14 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.184 1.036 25461 5609 1 14 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.143 0.065 25461 5610 1 14 . 1 1 100 100 GLU H H 100 8.324 8.324 8.397 -0.073 25461 5611 1 14 . 1 1 101 101 ARG N N 101 118.451 118.451 117.779 0.672 25461 5612 1 14 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.182 -0.309 25461 5613 1 14 . 1 1 101 101 ARG C C 101 178.078 178.078 178.254 -0.176 25461 5614 1 14 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.798 1.180 25461 5615 1 14 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.995 -0.049 25461 5616 1 14 . 1 1 101 101 ARG H H 101 8.197 8.197 8.071 0.126 25461 5617 1 14 . 1 1 102 102 TYR N N 102 119.888 119.888 123.843 -3.955 25461 5618 1 14 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.365 0.110 25461 5619 1 14 . 1 1 102 102 TYR C C 102 180.056 180.056 177.984 2.072 25461 5620 1 14 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.279 0.247 25461 5621 1 14 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.477 -0.961 25461 5622 1 14 . 1 1 102 102 TYR H H 102 8.180 8.180 8.231 -0.051 25461 5623 1 14 . 1 1 103 103 LEU N N 103 122.091 122.091 117.993 4.098 25461 5624 1 14 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.675 0.156 25461 5625 1 14 . 1 1 103 103 LEU C C 103 178.973 178.973 177.771 1.202 25461 5626 1 14 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.173 0.252 25461 5627 1 14 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.284 0.338 25461 5628 1 14 . 1 1 103 103 LEU H H 103 9.050 9.050 8.172 0.878 25461 5629 1 14 . 1 1 104 104 ARG N N 104 116.388 116.388 119.800 -3.412 25461 5630 1 14 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.342 0.034 25461 5631 1 14 . 1 1 104 104 ARG C C 104 176.877 176.877 177.199 -0.322 25461 5632 1 14 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.058 0.514 25461 5633 1 14 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.910 -0.432 25461 5634 1 14 . 1 1 104 104 ARG H H 104 7.888 7.888 7.687 0.201 25461 5635 1 14 . 1 1 105 105 GLY N N 105 107.432 107.432 109.531 -2.099 25461 5636 1 14 . 1 1 105 105 GLY C C 105 174.796 174.796 174.242 0.554 25461 5637 1 14 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.000 0.332 25461 5638 1 14 . 1 1 105 105 GLY H H 105 7.688 7.688 7.912 -0.224 25461 5639 1 14 . 1 1 106 106 ASP N N 106 121.505 121.505 120.498 1.007 25461 5640 1 14 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.663 -0.282 25461 5641 1 14 . 1 1 106 106 ASP C C 106 175.595 175.595 176.685 -1.090 25461 5642 1 14 . 1 1 106 106 ASP CA C 106 55.037 55.037 53.470 1.567 25461 5643 1 14 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.422 -1.851 25461 5644 1 14 . 1 1 106 106 ASP H H 106 7.878 7.878 7.909 -0.031 25461 5645 1 14 . 1 1 107 107 GLU N N 107 119.581 119.581 119.463 0.118 25461 5646 1 14 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.441 -0.059 25461 5647 1 14 . 1 1 107 107 GLU C C 107 177.123 177.123 175.571 1.552 25461 5648 1 14 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.628 -0.153 25461 5649 1 14 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.201 0.321 25461 5650 1 14 . 1 1 107 107 GLU H H 107 8.394 8.394 8.517 -0.123 25461 5651 1 14 . 1 1 108 108 PHE N N 108 126.975 126.975 122.825 4.150 25461 5652 1 14 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.761 -0.139 25461 5653 1 14 . 1 1 108 108 PHE C C 108 176.186 176.186 174.980 1.206 25461 5654 1 14 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.354 -0.124 25461 5655 1 14 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.583 -0.339 25461 5656 1 14 . 1 1 108 108 PHE H H 108 9.373 9.373 8.766 0.607 25461 5657 1 14 . 1 1 109 109 SER N N 109 121.198 121.198 118.989 2.209 25461 5658 1 14 . 1 1 109 109 SER HA H 109 4.582 4.582 4.805 -0.223 25461 5659 1 14 . 1 1 109 109 SER C C 109 175.060 175.060 173.342 1.718 25461 5660 1 14 . 1 1 109 109 SER CA C 109 58.928 58.928 57.636 1.292 25461 5661 1 14 . 1 1 109 109 SER CB C 109 64.213 64.213 64.799 -0.586 25461 5662 1 14 . 1 1 109 109 SER H H 109 8.694 8.694 8.591 0.103 25461 5663 1 14 . 1 1 110 110 PHE N N 110 121.734 121.734 119.549 2.185 25461 5664 1 14 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.514 -0.327 25461 5665 1 14 . 1 1 110 110 PHE C C 110 172.930 172.930 173.888 -0.958 25461 5666 1 14 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.592 2.157 25461 5667 1 14 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.552 -1.055 25461 5668 1 14 . 1 1 110 110 PHE H H 110 8.965 8.965 8.448 0.517 25461 5669 1 14 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.400 -0.051 25461 5670 1 14 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.081 -0.009 25461 5671 1 14 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.295 0.023 25461 5672 1 14 . 1 1 112 112 PRO C C 112 177.703 177.703 177.959 -0.256 25461 5673 1 14 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.896 -0.307 25461 5674 1 14 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.214 0.544 25461 5675 1 14 . 1 1 113 113 GLY N N 113 110.960 110.960 111.549 -0.589 25461 5676 1 14 . 1 1 113 113 GLY C C 113 174.074 174.074 174.900 -0.826 25461 5677 1 14 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.054 0.106 25461 5678 1 14 . 1 1 113 113 GLY H H 113 8.682 8.682 8.388 0.294 25461 5679 1 14 . 1 1 114 114 PHE N N 114 120.992 120.992 120.651 0.341 25461 5680 1 14 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.337 -0.027 25461 5681 1 14 . 1 1 114 114 PHE C C 114 174.567 174.567 176.237 -1.670 25461 5682 1 14 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.701 -0.377 25461 5683 1 14 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.840 0.309 25461 5684 1 14 . 1 1 114 114 PHE H H 114 7.771 7.771 7.948 -0.177 25461 5685 1 15 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.210 0.147 25461 5686 1 15 . 1 1 42 42 ALA C C 42 177.825 177.825 178.442 -0.617 25461 5687 1 15 . 1 1 42 42 ALA CA C 42 52.674 52.674 53.590 -0.916 25461 5688 1 15 . 1 1 42 42 ALA CB C 42 19.452 19.452 18.997 0.455 25461 5689 1 15 . 1 1 43 43 MET N N 43 119.667 119.667 119.961 -0.294 25461 5690 1 15 . 1 1 43 43 MET HA H 43 4.549 4.549 4.451 0.098 25461 5691 1 15 . 1 1 43 43 MET C C 43 176.478 176.478 175.499 0.979 25461 5692 1 15 . 1 1 43 43 MET CA C 43 55.344 55.344 55.191 0.153 25461 5693 1 15 . 1 1 43 43 MET CB C 43 33.129 33.129 32.006 1.123 25461 5694 1 15 . 1 1 43 43 MET H H 43 8.507 8.507 7.903 0.604 25461 5695 1 15 . 1 1 44 44 GLY N N 44 110.244 110.244 110.678 -0.434 25461 5696 1 15 . 1 1 44 44 GLY C C 44 172.009 172.009 172.348 -0.339 25461 5697 1 15 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.607 0.035 25461 5698 1 15 . 1 1 44 44 GLY H H 44 8.251 8.251 8.036 0.215 25461 5699 1 15 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.641 -0.208 25461 5700 1 15 . 1 1 45 45 PRO C C 45 177.510 177.510 176.490 1.020 25461 5701 1 15 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.450 0.955 25461 5702 1 15 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.641 -0.535 25461 5703 1 15 . 1 1 46 46 GLN N N 46 120.607 120.607 119.252 1.355 25461 5704 1 15 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.218 0.128 25461 5705 1 15 . 1 1 46 46 GLN C C 46 176.687 176.687 176.614 0.073 25461 5706 1 15 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.921 0.135 25461 5707 1 15 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.150 0.273 25461 5708 1 15 . 1 1 46 46 GLN H H 46 8.628 8.628 8.436 0.192 25461 5709 1 15 . 1 1 47 47 GLY N N 47 110.011 110.011 109.281 0.730 25461 5710 1 15 . 1 1 47 47 GLY C C 47 174.308 174.308 173.576 0.732 25461 5711 1 15 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.708 0.726 25461 5712 1 15 . 1 1 47 47 GLY H H 47 8.411 8.411 8.743 -0.332 25461 5713 1 15 . 1 1 48 48 SER N N 48 115.646 115.646 113.942 1.704 25461 5714 1 15 . 1 1 48 48 SER HA H 48 4.542 4.542 4.828 -0.286 25461 5715 1 15 . 1 1 48 48 SER C C 48 175.288 175.288 173.608 1.680 25461 5716 1 15 . 1 1 48 48 SER CA C 48 58.437 58.437 57.629 0.808 25461 5717 1 15 . 1 1 48 48 SER CB C 48 63.965 63.965 65.916 -1.951 25461 5718 1 15 . 1 1 48 48 SER H H 48 8.284 8.284 8.593 -0.309 25461 5719 1 15 . 1 1 49 49 THR N N 49 115.928 115.928 114.046 1.882 25461 5720 1 15 . 1 1 49 49 THR HA H 49 4.343 4.343 4.444 -0.101 25461 5721 1 15 . 1 1 49 49 THR C C 49 174.948 174.948 173.704 1.244 25461 5722 1 15 . 1 1 49 49 THR CA C 49 62.294 62.294 62.184 0.110 25461 5723 1 15 . 1 1 49 49 THR CB C 49 69.614 69.614 69.532 0.082 25461 5724 1 15 . 1 1 49 49 THR H H 49 8.282 8.282 8.195 0.087 25461 5725 1 15 . 1 1 50 50 GLN N N 50 122.155 122.155 122.824 -0.669 25461 5726 1 15 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.238 0.149 25461 5727 1 15 . 1 1 50 50 GLN C C 50 176.071 176.071 175.923 0.148 25461 5728 1 15 . 1 1 50 50 GLN CA C 50 56.390 56.390 56.175 0.215 25461 5729 1 15 . 1 1 50 50 GLN CB C 50 29.226 29.226 27.227 1.999 25461 5730 1 15 . 1 1 50 50 GLN H H 50 8.401 8.401 8.365 0.036 25461 5731 1 15 . 1 1 51 51 ASN N N 51 119.604 119.604 119.709 -0.105 25461 5732 1 15 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.494 0.144 25461 5733 1 15 . 1 1 51 51 ASN C C 51 175.275 175.275 174.929 0.346 25461 5734 1 15 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.554 0.096 25461 5735 1 15 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.299 0.558 25461 5736 1 15 . 1 1 51 51 ASN H H 51 8.395 8.395 8.404 -0.009 25461 5737 1 15 . 1 1 52 52 ALA N N 52 124.054 124.054 122.669 1.385 25461 5738 1 15 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.511 -0.249 25461 5739 1 15 . 1 1 52 52 ALA C C 52 177.915 177.915 176.314 1.601 25461 5740 1 15 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.594 1.497 25461 5741 1 15 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.528 -0.354 25461 5742 1 15 . 1 1 52 52 ALA H H 52 8.227 8.227 7.800 0.427 25461 5743 1 15 . 1 1 53 53 LEU N N 53 120.325 120.325 122.676 -2.351 25461 5744 1 15 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.713 -0.421 25461 5745 1 15 . 1 1 53 53 LEU C C 53 177.531 177.531 176.293 1.238 25461 5746 1 15 . 1 1 53 53 LEU CA C 53 55.443 55.443 53.557 1.886 25461 5747 1 15 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.648 -2.441 25461 5748 1 15 . 1 1 53 53 LEU H H 53 8.097 8.097 8.383 -0.286 25461 5749 1 15 . 1 1 54 54 ARG N N 54 121.409 121.409 121.726 -0.317 25461 5750 1 15 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.173 0.160 25461 5751 1 15 . 1 1 54 54 ARG C C 54 176.332 176.332 175.387 0.945 25461 5752 1 15 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.780 -0.593 25461 5753 1 15 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.145 0.591 25461 5754 1 15 . 1 1 54 54 ARG H H 54 8.155 8.155 8.385 -0.230 25461 5755 1 15 . 1 1 55 55 ARG N N 55 122.380 122.380 125.552 -3.172 25461 5756 1 15 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.489 -0.071 25461 5757 1 15 . 1 1 55 55 ARG C C 55 176.563 176.563 175.916 0.647 25461 5758 1 15 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.338 -0.049 25461 5759 1 15 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.577 0.261 25461 5760 1 15 . 1 1 55 55 ARG H H 55 8.389 8.389 8.579 -0.190 25461 5761 1 15 . 1 1 56 56 THR N N 56 114.693 114.693 119.666 -4.973 25461 5762 1 15 . 1 1 56 56 THR HA H 56 4.372 4.372 4.623 -0.251 25461 5763 1 15 . 1 1 56 56 THR C C 56 175.062 175.062 174.093 0.969 25461 5764 1 15 . 1 1 56 56 THR CA C 56 61.926 61.926 61.518 0.408 25461 5765 1 15 . 1 1 56 56 THR CB C 56 70.016 70.016 70.457 -0.441 25461 5766 1 15 . 1 1 56 56 THR H H 56 8.204 8.204 8.565 -0.361 25461 5767 1 15 . 1 1 57 57 GLY N N 57 111.042 111.042 111.880 -0.838 25461 5768 1 15 . 1 1 57 57 GLY C C 57 173.868 173.868 172.918 0.950 25461 5769 1 15 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.985 0.306 25461 5770 1 15 . 1 1 57 57 GLY H H 57 8.424 8.424 8.321 0.103 25461 5771 1 15 . 1 1 58 58 ARG N N 58 120.824 120.824 119.247 1.577 25461 5772 1 15 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.766 -0.380 25461 5773 1 15 . 1 1 58 58 ARG C C 58 176.522 176.522 175.828 0.694 25461 5774 1 15 . 1 1 58 58 ARG CA C 58 56.111 56.111 54.156 1.955 25461 5775 1 15 . 1 1 58 58 ARG CB C 58 31.074 31.074 32.162 -1.088 25461 5776 1 15 . 1 1 58 58 ARG H H 58 8.232 8.232 8.229 0.003 25461 5777 1 15 . 1 1 59 59 VAL N N 59 121.437 121.437 118.569 2.868 25461 5778 1 15 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.551 -0.431 25461 5779 1 15 . 1 1 59 59 VAL C C 59 176.022 176.022 175.560 0.462 25461 5780 1 15 . 1 1 59 59 VAL CA C 59 62.413 62.413 60.900 1.513 25461 5781 1 15 . 1 1 59 59 VAL CB C 59 32.815 32.815 30.267 2.548 25461 5782 1 15 . 1 1 59 59 VAL H H 59 8.307 8.307 8.368 -0.061 25461 5783 1 15 . 1 1 60 60 ASN N N 60 122.487 122.487 122.770 -0.283 25461 5784 1 15 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.644 0.093 25461 5785 1 15 . 1 1 60 60 ASN C C 60 175.521 175.521 175.711 -0.190 25461 5786 1 15 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.375 0.000 25461 5787 1 15 . 1 1 60 60 ASN CB C 60 39.098 39.098 36.889 2.208 25461 5788 1 15 . 1 1 60 60 ASN H H 60 8.593 8.593 8.381 0.212 25461 5789 1 15 . 1 1 61 61 GLY N N 61 109.681 109.681 107.491 2.190 25461 5790 1 15 . 1 1 61 61 GLY C C 61 174.361 174.361 173.838 0.523 25461 5791 1 15 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.712 -0.213 25461 5792 1 15 . 1 1 61 61 GLY H H 61 8.407 8.407 8.209 0.198 25461 5793 1 15 . 1 1 62 62 GLY N N 62 108.197 108.197 105.303 2.894 25461 5794 1 15 . 1 1 62 62 GLY C C 62 173.866 173.866 172.041 1.825 25461 5795 1 15 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.826 0.286 25461 5796 1 15 . 1 1 62 62 GLY H H 62 8.209 8.209 7.359 0.850 25461 5797 1 15 . 1 1 63 63 HIS N N 63 121.370 121.370 119.353 2.017 25461 5798 1 15 . 1 1 63 63 HIS HA H 63 4.799 4.799 5.275 -0.476 25461 5799 1 15 . 1 1 63 63 HIS C C 63 173.562 173.562 174.082 -0.520 25461 5800 1 15 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.791 1.054 25461 5801 1 15 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.424 -1.252 25461 5802 1 15 . 1 1 63 63 HIS H H 63 8.587 8.587 8.521 0.066 25461 5803 1 15 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.481 -0.020 25461 5804 1 15 . 1 1 64 64 PRO C C 64 176.406 176.406 176.210 0.196 25461 5805 1 15 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.051 0.037 25461 5806 1 15 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.211 -0.208 25461 5807 1 15 . 1 1 65 65 VAL N N 65 122.214 122.214 116.983 5.231 25461 5808 1 15 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.803 -0.449 25461 5809 1 15 . 1 1 65 65 VAL C C 65 176.217 176.217 175.241 0.976 25461 5810 1 15 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.320 2.913 25461 5811 1 15 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.201 0.153 25461 5812 1 15 . 1 1 65 65 VAL H H 65 8.436 8.436 8.245 0.191 25461 5813 1 15 . 1 1 66 66 THR N N 66 118.215 118.215 112.824 5.391 25461 5814 1 15 . 1 1 66 66 THR HA H 66 4.844 4.844 4.804 0.040 25461 5815 1 15 . 1 1 66 66 THR C C 66 175.632 175.632 174.887 0.745 25461 5816 1 15 . 1 1 66 66 THR CA C 66 59.250 59.250 59.997 -0.747 25461 5817 1 15 . 1 1 66 66 THR CB C 66 71.632 71.632 71.531 0.101 25461 5818 1 15 . 1 1 66 66 THR H H 66 7.765 7.765 8.043 -0.278 25461 5819 1 15 . 1 1 67 67 THR N N 67 116.809 116.809 117.324 -0.515 25461 5820 1 15 . 1 1 67 67 THR HA H 67 3.846 3.846 3.954 -0.108 25461 5821 1 15 . 1 1 67 67 THR C C 67 176.323 176.323 176.681 -0.358 25461 5822 1 15 . 1 1 67 67 THR CA C 67 66.206 66.206 65.896 0.310 25461 5823 1 15 . 1 1 67 67 THR CB C 67 68.417 68.417 68.520 -0.103 25461 5824 1 15 . 1 1 67 67 THR H H 67 8.901 8.901 8.587 0.314 25461 5825 1 15 . 1 1 68 68 GLN N N 68 120.255 120.255 119.789 0.466 25461 5826 1 15 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.075 0.008 25461 5827 1 15 . 1 1 68 68 GLN C C 68 179.056 179.056 178.290 0.766 25461 5828 1 15 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.577 1.077 25461 5829 1 15 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.697 0.234 25461 5830 1 15 . 1 1 68 68 GLN H H 68 8.290 8.290 8.863 -0.573 25461 5831 1 15 . 1 1 69 69 MET N N 69 120.434 120.434 118.758 1.676 25461 5832 1 15 . 1 1 69 69 MET HA H 69 3.918 3.918 4.194 -0.276 25461 5833 1 15 . 1 1 69 69 MET C C 69 177.390 177.390 178.090 -0.700 25461 5834 1 15 . 1 1 69 69 MET CA C 69 59.757 59.757 58.837 0.920 25461 5835 1 15 . 1 1 69 69 MET CB C 69 35.178 35.178 32.697 2.481 25461 5836 1 15 . 1 1 69 69 MET H H 69 7.718 7.718 7.652 0.066 25461 5837 1 15 . 1 1 70 70 VAL N N 70 118.137 118.137 119.171 -1.034 25461 5838 1 15 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.590 -0.256 25461 5839 1 15 . 1 1 70 70 VAL C C 70 177.985 177.985 178.167 -0.182 25461 5840 1 15 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.299 0.075 25461 5841 1 15 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.768 0.921 25461 5842 1 15 . 1 1 70 70 VAL H H 70 7.322 7.322 7.573 -0.251 25461 5843 1 15 . 1 1 71 71 GLU N N 71 118.717 118.717 118.667 0.050 25461 5844 1 15 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.925 0.007 25461 5845 1 15 . 1 1 71 71 GLU C C 71 178.984 178.984 178.965 0.019 25461 5846 1 15 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.536 -0.208 25461 5847 1 15 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.773 0.809 25461 5848 1 15 . 1 1 71 71 GLU H H 71 8.446 8.446 8.183 0.263 25461 5849 1 15 . 1 1 72 72 THR N N 72 116.413 116.413 118.065 -1.652 25461 5850 1 15 . 1 1 72 72 THR HA H 72 3.885 3.885 3.879 0.006 25461 5851 1 15 . 1 1 72 72 THR C C 72 176.837 176.837 176.747 0.090 25461 5852 1 15 . 1 1 72 72 THR CA C 72 66.924 66.924 66.724 0.200 25461 5853 1 15 . 1 1 72 72 THR CB C 72 68.594 68.594 68.660 -0.066 25461 5854 1 15 . 1 1 72 72 THR H H 72 8.055 8.055 7.715 0.340 25461 5855 1 15 . 1 1 73 73 VAL N N 73 119.440 119.440 121.310 -1.870 25461 5856 1 15 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.418 -0.057 25461 5857 1 15 . 1 1 73 73 VAL C C 73 177.119 177.119 177.700 -0.581 25461 5858 1 15 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.702 -0.229 25461 5859 1 15 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.456 -0.543 25461 5860 1 15 . 1 1 73 73 VAL H H 73 7.521 7.521 7.696 -0.175 25461 5861 1 15 . 1 1 74 74 GLN N N 74 120.105 120.105 118.959 1.146 25461 5862 1 15 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.926 -0.285 25461 5863 1 15 . 1 1 74 74 GLN C C 74 177.761 177.761 178.342 -0.581 25461 5864 1 15 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.639 0.085 25461 5865 1 15 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.357 0.940 25461 5866 1 15 . 1 1 74 74 GLN H H 74 8.884 8.884 8.524 0.360 25461 5867 1 15 . 1 1 75 75 ASN N N 75 113.460 113.460 117.881 -4.421 25461 5868 1 15 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.421 -0.059 25461 5869 1 15 . 1 1 75 75 ASN C C 75 176.122 176.122 177.664 -1.542 25461 5870 1 15 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.768 -0.277 25461 5871 1 15 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.482 0.490 25461 5872 1 15 . 1 1 75 75 ASN H H 75 7.472 7.472 8.253 -0.781 25461 5873 1 15 . 1 1 76 76 LEU N N 76 118.225 118.225 117.110 1.115 25461 5874 1 15 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.319 -0.012 25461 5875 1 15 . 1 1 76 76 LEU C C 76 175.358 175.358 176.081 -0.723 25461 5876 1 15 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.164 -0.786 25461 5877 1 15 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.391 1.045 25461 5878 1 15 . 1 1 76 76 LEU H H 76 7.130 7.130 7.657 -0.527 25461 5879 1 15 . 1 1 77 77 ALA N N 77 122.753 122.753 118.942 3.811 25461 5880 1 15 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.474 -0.028 25461 5881 1 15 . 1 1 77 77 ALA C C 77 173.976 173.976 175.025 -1.049 25461 5882 1 15 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.850 0.572 25461 5883 1 15 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.410 -1.027 25461 5884 1 15 . 1 1 77 77 ALA H H 77 7.784 7.784 7.748 0.036 25461 5885 1 15 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.386 0.000 25461 5886 1 15 . 1 1 78 78 PRO C C 78 177.311 177.311 177.023 0.288 25461 5887 1 15 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.130 0.468 25461 5888 1 15 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.892 0.249 25461 5889 1 15 . 1 1 79 79 ASN N N 79 111.571 111.571 115.449 -3.878 25461 5890 1 15 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.632 0.122 25461 5891 1 15 . 1 1 79 79 ASN C C 79 175.765 175.765 175.915 -0.150 25461 5892 1 15 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.783 -0.621 25461 5893 1 15 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.229 -1.347 25461 5894 1 15 . 1 1 79 79 ASN H H 79 7.868 7.868 8.165 -0.297 25461 5895 1 15 . 1 1 80 80 LEU N N 80 119.219 119.219 118.647 0.572 25461 5896 1 15 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.218 0.150 25461 5897 1 15 . 1 1 80 80 LEU C C 80 175.715 175.715 176.345 -0.630 25461 5898 1 15 . 1 1 80 80 LEU CA C 80 53.849 53.849 54.051 -0.202 25461 5899 1 15 . 1 1 80 80 LEU CB C 80 43.172 43.172 42.732 0.440 25461 5900 1 15 . 1 1 80 80 LEU H H 80 7.176 7.176 7.254 -0.078 25461 5901 1 15 . 1 1 81 81 HIS N N 81 123.894 123.894 121.745 2.149 25461 5902 1 15 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.675 0.067 25461 5903 1 15 . 1 1 81 81 HIS C C 81 176.185 176.185 174.823 1.362 25461 5904 1 15 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.158 0.334 25461 5905 1 15 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.272 0.904 25461 5906 1 15 . 1 1 81 81 HIS H H 81 9.023 9.023 8.361 0.662 25461 5907 1 15 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.458 -0.445 25461 5908 1 15 . 1 1 82 82 PRO C C 82 178.774 178.774 178.368 0.406 25461 5909 1 15 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.231 1.164 25461 5910 1 15 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.328 -0.293 25461 5911 1 15 . 1 1 83 83 GLU N N 83 120.128 120.128 118.955 1.173 25461 5912 1 15 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.327 0.083 25461 5913 1 15 . 1 1 83 83 GLU C C 83 181.651 181.651 178.699 2.952 25461 5914 1 15 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.821 0.408 25461 5915 1 15 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.667 -0.371 25461 5916 1 15 . 1 1 83 83 GLU H H 83 11.938 11.938 8.269 3.669 25461 5917 1 15 . 1 1 84 84 GLN N N 84 117.052 117.052 120.063 -3.011 25461 5918 1 15 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.966 0.015 25461 5919 1 15 . 1 1 84 84 GLN C C 84 179.958 179.958 178.711 1.247 25461 5920 1 15 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.754 0.196 25461 5921 1 15 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.553 2.116 25461 5922 1 15 . 1 1 84 84 GLN H H 84 7.467 7.467 7.431 0.036 25461 5923 1 15 . 1 1 85 85 ILE N N 85 120.448 120.448 120.445 0.003 25461 5924 1 15 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.695 -0.362 25461 5925 1 15 . 1 1 85 85 ILE C C 85 176.960 176.960 177.400 -0.440 25461 5926 1 15 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.478 1.050 25461 5927 1 15 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.595 0.217 25461 5928 1 15 . 1 1 85 85 ILE H H 85 7.750 7.750 7.764 -0.014 25461 5929 1 15 . 1 1 86 86 ARG N N 86 119.593 119.593 119.645 -0.052 25461 5930 1 15 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.895 -0.172 25461 5931 1 15 . 1 1 86 86 ARG C C 86 177.115 177.115 178.449 -1.334 25461 5932 1 15 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.437 1.383 25461 5933 1 15 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.656 0.570 25461 5934 1 15 . 1 1 86 86 ARG H H 86 8.868 8.868 7.676 1.192 25461 5935 1 15 . 1 1 87 87 TYR N N 87 116.869 116.869 120.377 -3.508 25461 5936 1 15 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.327 0.173 25461 5937 1 15 . 1 1 87 87 TYR C C 87 177.597 177.597 178.199 -0.602 25461 5938 1 15 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.005 0.117 25461 5939 1 15 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.012 0.423 25461 5940 1 15 . 1 1 87 87 TYR H H 87 7.684 7.684 8.467 -0.783 25461 5941 1 15 . 1 1 88 88 SER N N 88 110.655 110.655 115.705 -5.050 25461 5942 1 15 . 1 1 88 88 SER HA H 88 4.155 4.155 3.930 0.225 25461 5943 1 15 . 1 1 88 88 SER C C 88 177.666 177.666 176.853 0.813 25461 5944 1 15 . 1 1 88 88 SER CA C 88 61.207 61.207 61.765 -0.558 25461 5945 1 15 . 1 1 88 88 SER CB C 88 62.880 62.880 62.792 0.088 25461 5946 1 15 . 1 1 88 88 SER H H 88 7.510 7.510 8.254 -0.744 25461 5947 1 15 . 1 1 89 89 LEU N N 89 119.356 119.356 122.526 -3.170 25461 5948 1 15 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.039 0.154 25461 5949 1 15 . 1 1 89 89 LEU C C 89 180.057 180.057 179.922 0.135 25461 5950 1 15 . 1 1 89 89 LEU CA C 89 57.377 57.377 58.060 -0.683 25461 5951 1 15 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.770 1.575 25461 5952 1 15 . 1 1 89 89 LEU H H 89 8.522 8.522 8.750 -0.228 25461 5953 1 15 . 1 1 90 90 GLU N N 90 120.190 120.190 118.974 1.216 25461 5954 1 15 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.226 -0.110 25461 5955 1 15 . 1 1 90 90 GLU C C 90 177.812 177.812 179.429 -1.617 25461 5956 1 15 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.481 -0.439 25461 5957 1 15 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.483 0.510 25461 5958 1 15 . 1 1 90 90 GLU H H 90 8.511 8.511 8.364 0.147 25461 5959 1 15 . 1 1 91 91 ASN N N 91 115.736 115.736 116.726 -0.990 25461 5960 1 15 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.620 0.066 25461 5961 1 15 . 1 1 91 91 ASN C C 91 177.109 177.109 177.182 -0.073 25461 5962 1 15 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.707 -0.017 25461 5963 1 15 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.757 1.729 25461 5964 1 15 . 1 1 91 91 ASN H H 91 7.465 7.465 7.921 -0.456 25461 5965 1 15 . 1 1 92 92 THR N N 92 110.330 110.330 110.780 -0.450 25461 5966 1 15 . 1 1 92 92 THR HA H 92 4.142 4.142 4.269 -0.127 25461 5967 1 15 . 1 1 92 92 THR C C 92 176.599 176.599 176.036 0.563 25461 5968 1 15 . 1 1 92 92 THR CA C 92 62.581 62.581 63.661 -1.080 25461 5969 1 15 . 1 1 92 92 THR CB C 92 70.198 70.198 69.869 0.329 25461 5970 1 15 . 1 1 92 92 THR H H 92 9.251 9.251 8.215 1.036 25461 5971 1 15 . 1 1 93 93 GLY N N 93 112.211 112.211 110.521 1.690 25461 5972 1 15 . 1 1 93 93 GLY C C 93 174.132 174.132 173.844 0.288 25461 5973 1 15 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.020 0.651 25461 5974 1 15 . 1 1 93 93 GLY H H 93 8.682 8.682 8.068 0.614 25461 5975 1 15 . 1 1 94 94 SER N N 94 111.808 111.808 115.574 -3.766 25461 5976 1 15 . 1 1 94 94 SER HA H 94 4.784 4.784 4.730 0.054 25461 5977 1 15 . 1 1 94 94 SER C C 94 173.862 173.862 174.380 -0.518 25461 5978 1 15 . 1 1 94 94 SER CA C 94 56.221 56.221 56.893 -0.672 25461 5979 1 15 . 1 1 94 94 SER CB C 94 64.454 64.454 65.927 -1.473 25461 5980 1 15 . 1 1 94 94 SER H H 94 8.058 8.058 7.282 0.776 25461 5981 1 15 . 1 1 95 95 VAL N N 95 129.818 129.818 127.787 2.031 25461 5982 1 15 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.604 -0.247 25461 5983 1 15 . 1 1 95 95 VAL C C 95 176.909 176.909 177.487 -0.578 25461 5984 1 15 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.033 -0.227 25461 5985 1 15 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.875 0.444 25461 5986 1 15 . 1 1 95 95 VAL H H 95 8.983 8.983 8.874 0.109 25461 5987 1 15 . 1 1 96 96 GLU N N 96 117.745 117.745 119.200 -1.455 25461 5988 1 15 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.994 -0.170 25461 5989 1 15 . 1 1 96 96 GLU C C 96 179.126 179.126 178.605 0.521 25461 5990 1 15 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.753 1.072 25461 5991 1 15 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.489 0.520 25461 5992 1 15 . 1 1 96 96 GLU H H 96 8.673 8.673 8.764 -0.091 25461 5993 1 15 . 1 1 97 97 GLU N N 97 120.049 120.049 120.548 -0.499 25461 5994 1 15 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.067 0.079 25461 5995 1 15 . 1 1 97 97 GLU C C 97 178.947 178.947 178.945 0.002 25461 5996 1 15 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.585 -0.644 25461 5997 1 15 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.259 0.485 25461 5998 1 15 . 1 1 97 97 GLU H H 97 8.125 8.125 8.519 -0.394 25461 5999 1 15 . 1 1 98 98 THR N N 98 118.623 118.623 116.753 1.870 25461 6000 1 15 . 1 1 98 98 THR HA H 98 3.805 3.805 4.061 -0.256 25461 6001 1 15 . 1 1 98 98 THR C C 98 175.676 175.676 176.816 -1.140 25461 6002 1 15 . 1 1 98 98 THR CA C 98 70.162 70.162 66.930 3.232 25461 6003 1 15 . 1 1 98 98 THR CB C 98 69.317 69.317 68.983 0.334 25461 6004 1 15 . 1 1 98 98 THR H H 98 8.038 8.038 7.717 0.321 25461 6005 1 15 . 1 1 99 99 VAL N N 99 120.683 120.683 121.577 -0.894 25461 6006 1 15 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.746 -0.205 25461 6007 1 15 . 1 1 99 99 VAL C C 99 177.456 177.456 177.601 -0.145 25461 6008 1 15 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.832 1.092 25461 6009 1 15 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.491 0.075 25461 6010 1 15 . 1 1 99 99 VAL H H 99 8.724 8.724 8.356 0.368 25461 6011 1 15 . 1 1 100 100 GLU N N 100 120.914 120.914 119.500 1.414 25461 6012 1 15 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.117 -0.103 25461 6013 1 15 . 1 1 100 100 GLU C C 100 179.857 179.857 179.320 0.537 25461 6014 1 15 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.691 0.529 25461 6015 1 15 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.524 -0.316 25461 6016 1 15 . 1 1 100 100 GLU H H 100 8.324 8.324 8.581 -0.257 25461 6017 1 15 . 1 1 101 101 ARG N N 101 118.451 118.451 118.004 0.447 25461 6018 1 15 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.254 -0.381 25461 6019 1 15 . 1 1 101 101 ARG C C 101 178.078 178.078 178.039 0.039 25461 6020 1 15 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.773 1.205 25461 6021 1 15 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.887 0.059 25461 6022 1 15 . 1 1 101 101 ARG H H 101 8.197 8.197 8.178 0.019 25461 6023 1 15 . 1 1 102 102 TYR N N 102 119.888 119.888 124.054 -4.166 25461 6024 1 15 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.387 0.088 25461 6025 1 15 . 1 1 102 102 TYR C C 102 180.056 180.056 177.994 2.062 25461 6026 1 15 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.263 0.263 25461 6027 1 15 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.462 -0.946 25461 6028 1 15 . 1 1 102 102 TYR H H 102 8.180 8.180 8.240 -0.060 25461 6029 1 15 . 1 1 103 103 LEU N N 103 122.091 122.091 118.898 3.193 25461 6030 1 15 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.629 0.202 25461 6031 1 15 . 1 1 103 103 LEU C C 103 178.973 178.973 177.838 1.135 25461 6032 1 15 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.477 -0.052 25461 6033 1 15 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.319 0.303 25461 6034 1 15 . 1 1 103 103 LEU H H 103 9.050 9.050 8.307 0.743 25461 6035 1 15 . 1 1 104 104 ARG N N 104 116.388 116.388 119.305 -2.917 25461 6036 1 15 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.282 0.094 25461 6037 1 15 . 1 1 104 104 ARG C C 104 176.877 176.877 177.549 -0.672 25461 6038 1 15 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.722 0.850 25461 6039 1 15 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.397 0.081 25461 6040 1 15 . 1 1 104 104 ARG H H 104 7.888 7.888 7.552 0.336 25461 6041 1 15 . 1 1 105 105 GLY N N 105 107.432 107.432 109.527 -2.095 25461 6042 1 15 . 1 1 105 105 GLY C C 105 174.796 174.796 174.899 -0.103 25461 6043 1 15 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.314 0.018 25461 6044 1 15 . 1 1 105 105 GLY H H 105 7.688 7.688 7.993 -0.305 25461 6045 1 15 . 1 1 106 106 ASP N N 106 121.505 121.505 120.856 0.649 25461 6046 1 15 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.624 -0.243 25461 6047 1 15 . 1 1 106 106 ASP C C 106 175.595 175.595 176.512 -0.917 25461 6048 1 15 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.639 0.398 25461 6049 1 15 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.370 -1.799 25461 6050 1 15 . 1 1 106 106 ASP H H 106 7.878 7.878 8.123 -0.245 25461 6051 1 15 . 1 1 107 107 GLU N N 107 119.581 119.581 118.878 0.703 25461 6052 1 15 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.473 -0.091 25461 6053 1 15 . 1 1 107 107 GLU C C 107 177.123 177.123 175.649 1.474 25461 6054 1 15 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.560 -0.085 25461 6055 1 15 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.367 0.155 25461 6056 1 15 . 1 1 107 107 GLU H H 107 8.394 8.394 8.533 -0.139 25461 6057 1 15 . 1 1 108 108 PHE N N 108 126.975 126.975 120.573 6.402 25461 6058 1 15 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.768 -0.146 25461 6059 1 15 . 1 1 108 108 PHE C C 108 176.186 176.186 175.326 0.860 25461 6060 1 15 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.276 -0.046 25461 6061 1 15 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.501 -0.257 25461 6062 1 15 . 1 1 108 108 PHE H H 108 9.373 9.373 8.699 0.674 25461 6063 1 15 . 1 1 109 109 SER N N 109 121.198 121.198 118.945 2.253 25461 6064 1 15 . 1 1 109 109 SER HA H 109 4.582 4.582 4.755 -0.173 25461 6065 1 15 . 1 1 109 109 SER C C 109 175.060 175.060 173.397 1.663 25461 6066 1 15 . 1 1 109 109 SER CA C 109 58.928 58.928 57.559 1.369 25461 6067 1 15 . 1 1 109 109 SER CB C 109 64.213 64.213 64.306 -0.093 25461 6068 1 15 . 1 1 109 109 SER H H 109 8.694 8.694 8.520 0.174 25461 6069 1 15 . 1 1 110 110 PHE N N 110 121.734 121.734 119.746 1.988 25461 6070 1 15 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.547 -0.360 25461 6071 1 15 . 1 1 110 110 PHE C C 110 172.930 172.930 173.931 -1.001 25461 6072 1 15 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.071 2.678 25461 6073 1 15 . 1 1 110 110 PHE CB C 110 38.497 38.497 38.950 -0.452 25461 6074 1 15 . 1 1 110 110 PHE H H 110 8.965 8.965 8.475 0.490 25461 6075 1 15 . 1 1 111 111 PRO HA H 111 3.349 3.349 2.995 0.354 25461 6076 1 15 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.067 0.005 25461 6077 1 15 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.248 0.070 25461 6078 1 15 . 1 1 112 112 PRO C C 112 177.703 177.703 178.146 -0.443 25461 6079 1 15 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.678 -0.089 25461 6080 1 15 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.133 0.625 25461 6081 1 15 . 1 1 113 113 GLY N N 113 110.960 110.960 111.020 -0.060 25461 6082 1 15 . 1 1 113 113 GLY C C 113 174.074 174.074 175.018 -0.944 25461 6083 1 15 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.461 -0.301 25461 6084 1 15 . 1 1 113 113 GLY H H 113 8.682 8.682 8.656 0.026 25461 6085 1 15 . 1 1 114 114 PHE N N 114 120.992 120.992 120.678 0.314 25461 6086 1 15 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.331 -0.021 25461 6087 1 15 . 1 1 114 114 PHE C C 114 174.567 174.567 176.602 -2.035 25461 6088 1 15 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.670 -0.346 25461 6089 1 15 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.669 0.480 25461 6090 1 15 . 1 1 114 114 PHE H H 114 7.771 7.771 7.853 -0.082 25461 6091 1 16 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.220 0.137 25461 6092 1 16 . 1 1 42 42 ALA C C 42 177.825 177.825 177.934 -0.109 25461 6093 1 16 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.400 0.274 25461 6094 1 16 . 1 1 42 42 ALA CB C 42 19.452 19.452 18.340 1.113 25461 6095 1 16 . 1 1 43 43 MET N N 43 119.667 119.667 119.236 0.431 25461 6096 1 16 . 1 1 43 43 MET HA H 43 4.549 4.549 4.589 -0.040 25461 6097 1 16 . 1 1 43 43 MET C C 43 176.478 176.478 177.069 -0.591 25461 6098 1 16 . 1 1 43 43 MET CA C 43 55.344 55.344 55.626 -0.281 25461 6099 1 16 . 1 1 43 43 MET CB C 43 33.129 33.129 33.339 -0.210 25461 6100 1 16 . 1 1 43 43 MET H H 43 8.507 8.507 8.053 0.455 25461 6101 1 16 . 1 1 44 44 GLY N N 44 110.244 110.244 110.921 -0.677 25461 6102 1 16 . 1 1 44 44 GLY C C 44 172.009 172.009 174.361 -2.352 25461 6103 1 16 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.861 -0.219 25461 6104 1 16 . 1 1 44 44 GLY H H 44 8.251 8.251 8.534 -0.283 25461 6105 1 16 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.308 0.125 25461 6106 1 16 . 1 1 45 45 PRO C C 45 177.510 177.510 177.325 0.185 25461 6107 1 16 . 1 1 45 45 PRO CA C 45 63.405 63.405 64.007 -0.602 25461 6108 1 16 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.101 0.005 25461 6109 1 16 . 1 1 46 46 GLN N N 46 120.607 120.607 117.879 2.728 25461 6110 1 16 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.293 0.053 25461 6111 1 16 . 1 1 46 46 GLN C C 46 176.687 176.687 176.682 0.005 25461 6112 1 16 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.894 0.162 25461 6113 1 16 . 1 1 46 46 GLN CB C 46 29.423 29.423 28.864 0.559 25461 6114 1 16 . 1 1 46 46 GLN H H 46 8.628 8.628 8.146 0.482 25461 6115 1 16 . 1 1 47 47 GLY N N 47 110.011 110.011 109.005 1.006 25461 6116 1 16 . 1 1 47 47 GLY C C 47 174.308 174.308 174.544 -0.236 25461 6117 1 16 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.659 -0.225 25461 6118 1 16 . 1 1 47 47 GLY H H 47 8.411 8.411 7.968 0.443 25461 6119 1 16 . 1 1 48 48 SER N N 48 115.646 115.646 117.461 -1.815 25461 6120 1 16 . 1 1 48 48 SER HA H 48 4.542 4.542 4.857 -0.315 25461 6121 1 16 . 1 1 48 48 SER C C 48 175.288 175.288 175.397 -0.109 25461 6122 1 16 . 1 1 48 48 SER CA C 48 58.437 58.437 56.417 2.020 25461 6123 1 16 . 1 1 48 48 SER CB C 48 63.965 63.965 64.234 -0.269 25461 6124 1 16 . 1 1 48 48 SER H H 48 8.284 8.284 8.232 0.052 25461 6125 1 16 . 1 1 49 49 THR N N 49 115.928 115.928 115.945 -0.017 25461 6126 1 16 . 1 1 49 49 THR HA H 49 4.343 4.343 4.310 0.033 25461 6127 1 16 . 1 1 49 49 THR C C 49 174.948 174.948 174.480 0.468 25461 6128 1 16 . 1 1 49 49 THR CA C 49 62.294 62.294 61.926 0.368 25461 6129 1 16 . 1 1 49 49 THR CB C 49 69.614 69.614 67.596 2.018 25461 6130 1 16 . 1 1 49 49 THR H H 49 8.282 8.282 8.440 -0.158 25461 6131 1 16 . 1 1 50 50 GLN N N 50 122.155 122.155 121.338 0.817 25461 6132 1 16 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.312 0.075 25461 6133 1 16 . 1 1 50 50 GLN C C 50 176.071 176.071 176.073 -0.002 25461 6134 1 16 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.875 0.515 25461 6135 1 16 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.561 -0.335 25461 6136 1 16 . 1 1 50 50 GLN H H 50 8.401 8.401 7.901 0.500 25461 6137 1 16 . 1 1 51 51 ASN N N 51 119.604 119.604 118.530 1.074 25461 6138 1 16 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.523 0.115 25461 6139 1 16 . 1 1 51 51 ASN C C 51 175.275 175.275 174.610 0.665 25461 6140 1 16 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.906 -0.255 25461 6141 1 16 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.570 0.287 25461 6142 1 16 . 1 1 51 51 ASN H H 51 8.395 8.395 8.515 -0.120 25461 6143 1 16 . 1 1 52 52 ALA N N 52 124.054 124.054 126.909 -2.855 25461 6144 1 16 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.707 -0.445 25461 6145 1 16 . 1 1 52 52 ALA C C 52 177.915 177.915 175.594 2.321 25461 6146 1 16 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.885 1.206 25461 6147 1 16 . 1 1 52 52 ALA CB C 52 19.174 19.174 20.453 -1.279 25461 6148 1 16 . 1 1 52 52 ALA H H 52 8.227 8.227 8.452 -0.225 25461 6149 1 16 . 1 1 53 53 LEU N N 53 120.325 120.325 120.524 -0.199 25461 6150 1 16 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.687 -0.395 25461 6151 1 16 . 1 1 53 53 LEU C C 53 177.531 177.531 175.666 1.865 25461 6152 1 16 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.300 1.143 25461 6153 1 16 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.504 -2.297 25461 6154 1 16 . 1 1 53 53 LEU H H 53 8.097 8.097 8.136 -0.039 25461 6155 1 16 . 1 1 54 54 ARG N N 54 121.409 121.409 121.737 -0.328 25461 6156 1 16 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.336 -0.003 25461 6157 1 16 . 1 1 54 54 ARG C C 54 176.332 176.332 175.955 0.377 25461 6158 1 16 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.169 0.018 25461 6159 1 16 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.583 0.153 25461 6160 1 16 . 1 1 54 54 ARG H H 54 8.155 8.155 8.493 -0.338 25461 6161 1 16 . 1 1 55 55 ARG N N 55 122.380 122.380 124.431 -2.051 25461 6162 1 16 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.234 0.184 25461 6163 1 16 . 1 1 55 55 ARG C C 55 176.563 176.563 175.752 0.811 25461 6164 1 16 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.467 -0.178 25461 6165 1 16 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.937 -0.099 25461 6166 1 16 . 1 1 55 55 ARG H H 55 8.389 8.389 8.455 -0.066 25461 6167 1 16 . 1 1 56 56 THR N N 56 114.693 114.693 118.601 -3.908 25461 6168 1 16 . 1 1 56 56 THR HA H 56 4.372 4.372 4.465 -0.093 25461 6169 1 16 . 1 1 56 56 THR C C 56 175.062 175.062 174.031 1.031 25461 6170 1 16 . 1 1 56 56 THR CA C 56 61.926 61.926 62.162 -0.236 25461 6171 1 16 . 1 1 56 56 THR CB C 56 70.016 70.016 69.295 0.721 25461 6172 1 16 . 1 1 56 56 THR H H 56 8.204 8.204 8.316 -0.112 25461 6173 1 16 . 1 1 57 57 GLY N N 57 111.042 111.042 113.889 -2.847 25461 6174 1 16 . 1 1 57 57 GLY C C 57 173.868 173.868 174.094 -0.226 25461 6175 1 16 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.291 -0.000 25461 6176 1 16 . 1 1 57 57 GLY H H 57 8.424 8.424 8.320 0.104 25461 6177 1 16 . 1 1 58 58 ARG N N 58 120.824 120.824 119.739 1.085 25461 6178 1 16 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.697 -0.311 25461 6179 1 16 . 1 1 58 58 ARG C C 58 176.522 176.522 176.600 -0.078 25461 6180 1 16 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.040 1.071 25461 6181 1 16 . 1 1 58 58 ARG CB C 58 31.074 31.074 32.136 -1.062 25461 6182 1 16 . 1 1 58 58 ARG H H 58 8.232 8.232 7.917 0.315 25461 6183 1 16 . 1 1 59 59 VAL N N 59 121.437 121.437 121.355 0.082 25461 6184 1 16 . 1 1 59 59 VAL HA H 59 4.120 4.120 3.896 0.224 25461 6185 1 16 . 1 1 59 59 VAL C C 59 176.022 176.022 175.939 0.083 25461 6186 1 16 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.488 -0.075 25461 6187 1 16 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.041 0.774 25461 6188 1 16 . 1 1 59 59 VAL H H 59 8.307 8.307 8.261 0.046 25461 6189 1 16 . 1 1 60 60 ASN N N 60 122.487 122.487 123.368 -0.881 25461 6190 1 16 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.646 0.091 25461 6191 1 16 . 1 1 60 60 ASN C C 60 175.521 175.521 175.311 0.210 25461 6192 1 16 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.989 0.386 25461 6193 1 16 . 1 1 60 60 ASN CB C 60 39.098 39.098 39.021 0.077 25461 6194 1 16 . 1 1 60 60 ASN H H 60 8.593 8.593 8.374 0.219 25461 6195 1 16 . 1 1 61 61 GLY N N 61 109.681 109.681 106.929 2.752 25461 6196 1 16 . 1 1 61 61 GLY C C 61 174.361 174.361 173.449 0.912 25461 6197 1 16 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.811 0.688 25461 6198 1 16 . 1 1 61 61 GLY H H 61 8.407 8.407 8.354 0.053 25461 6199 1 16 . 1 1 62 62 GLY N N 62 108.197 108.197 108.754 -0.557 25461 6200 1 16 . 1 1 62 62 GLY C C 62 173.866 173.866 173.318 0.548 25461 6201 1 16 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.755 0.357 25461 6202 1 16 . 1 1 62 62 GLY H H 62 8.209 8.209 7.286 0.923 25461 6203 1 16 . 1 1 63 63 HIS N N 63 121.370 121.370 122.049 -0.679 25461 6204 1 16 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.961 -0.162 25461 6205 1 16 . 1 1 63 63 HIS C C 63 173.562 173.562 173.740 -0.178 25461 6206 1 16 . 1 1 63 63 HIS CA C 63 54.846 54.846 53.836 1.010 25461 6207 1 16 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.019 -1.847 25461 6208 1 16 . 1 1 63 63 HIS H H 63 8.587 8.587 8.193 0.394 25461 6209 1 16 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.591 -0.130 25461 6210 1 16 . 1 1 64 64 PRO C C 64 176.406 176.406 176.538 -0.132 25461 6211 1 16 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.851 0.237 25461 6212 1 16 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.122 -0.119 25461 6213 1 16 . 1 1 65 65 VAL N N 65 122.214 122.214 116.924 5.290 25461 6214 1 16 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.766 -0.412 25461 6215 1 16 . 1 1 65 65 VAL C C 65 176.217 176.217 175.479 0.738 25461 6216 1 16 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.468 2.765 25461 6217 1 16 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.521 -0.167 25461 6218 1 16 . 1 1 65 65 VAL H H 65 8.436 8.436 8.197 0.239 25461 6219 1 16 . 1 1 66 66 THR N N 66 118.215 118.215 113.931 4.284 25461 6220 1 16 . 1 1 66 66 THR HA H 66 4.844 4.844 4.699 0.145 25461 6221 1 16 . 1 1 66 66 THR C C 66 175.632 175.632 175.041 0.591 25461 6222 1 16 . 1 1 66 66 THR CA C 66 59.250 59.250 59.583 -0.333 25461 6223 1 16 . 1 1 66 66 THR CB C 66 71.632 71.632 71.556 0.076 25461 6224 1 16 . 1 1 66 66 THR H H 66 7.765 7.765 8.116 -0.351 25461 6225 1 16 . 1 1 67 67 THR N N 67 116.809 116.809 117.963 -1.154 25461 6226 1 16 . 1 1 67 67 THR HA H 67 3.846 3.846 3.926 -0.080 25461 6227 1 16 . 1 1 67 67 THR C C 67 176.323 176.323 176.568 -0.245 25461 6228 1 16 . 1 1 67 67 THR CA C 67 66.206 66.206 66.086 0.120 25461 6229 1 16 . 1 1 67 67 THR CB C 67 68.417 68.417 68.434 -0.017 25461 6230 1 16 . 1 1 67 67 THR H H 67 8.901 8.901 8.593 0.308 25461 6231 1 16 . 1 1 68 68 GLN N N 68 120.255 120.255 118.994 1.261 25461 6232 1 16 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.255 -0.172 25461 6233 1 16 . 1 1 68 68 GLN C C 68 179.056 179.056 178.435 0.621 25461 6234 1 16 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.684 0.970 25461 6235 1 16 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.783 0.148 25461 6236 1 16 . 1 1 68 68 GLN H H 68 8.290 8.290 8.775 -0.485 25461 6237 1 16 . 1 1 69 69 MET N N 69 120.434 120.434 118.996 1.438 25461 6238 1 16 . 1 1 69 69 MET HA H 69 3.918 3.918 4.177 -0.259 25461 6239 1 16 . 1 1 69 69 MET C C 69 177.390 177.390 178.142 -0.752 25461 6240 1 16 . 1 1 69 69 MET CA C 69 59.757 59.757 59.087 0.670 25461 6241 1 16 . 1 1 69 69 MET CB C 69 35.178 35.178 32.308 2.870 25461 6242 1 16 . 1 1 69 69 MET H H 69 7.718 7.718 7.862 -0.144 25461 6243 1 16 . 1 1 70 70 VAL N N 70 118.137 118.137 118.896 -0.759 25461 6244 1 16 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.594 -0.260 25461 6245 1 16 . 1 1 70 70 VAL C C 70 177.985 177.985 177.989 -0.004 25461 6246 1 16 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.878 -0.504 25461 6247 1 16 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.084 0.605 25461 6248 1 16 . 1 1 70 70 VAL H H 70 7.322 7.322 7.552 -0.230 25461 6249 1 16 . 1 1 71 71 GLU N N 71 118.717 118.717 118.482 0.235 25461 6250 1 16 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.922 0.010 25461 6251 1 16 . 1 1 71 71 GLU C C 71 178.984 178.984 179.108 -0.124 25461 6252 1 16 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.533 -0.205 25461 6253 1 16 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.852 0.730 25461 6254 1 16 . 1 1 71 71 GLU H H 71 8.446 8.446 8.326 0.120 25461 6255 1 16 . 1 1 72 72 THR N N 72 116.413 116.413 117.363 -0.950 25461 6256 1 16 . 1 1 72 72 THR HA H 72 3.885 3.885 3.956 -0.071 25461 6257 1 16 . 1 1 72 72 THR C C 72 176.837 176.837 176.788 0.049 25461 6258 1 16 . 1 1 72 72 THR CA C 72 66.924 66.924 66.606 0.318 25461 6259 1 16 . 1 1 72 72 THR CB C 72 68.594 68.594 68.551 0.043 25461 6260 1 16 . 1 1 72 72 THR H H 72 8.055 8.055 7.797 0.258 25461 6261 1 16 . 1 1 73 73 VAL N N 73 119.440 119.440 121.432 -1.992 25461 6262 1 16 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.449 -0.088 25461 6263 1 16 . 1 1 73 73 VAL C C 73 177.119 177.119 177.746 -0.627 25461 6264 1 16 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.802 -0.329 25461 6265 1 16 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.411 -0.498 25461 6266 1 16 . 1 1 73 73 VAL H H 73 7.521 7.521 7.824 -0.303 25461 6267 1 16 . 1 1 74 74 GLN N N 74 120.105 120.105 118.914 1.191 25461 6268 1 16 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.942 -0.301 25461 6269 1 16 . 1 1 74 74 GLN C C 74 177.761 177.761 178.369 -0.608 25461 6270 1 16 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.554 0.169 25461 6271 1 16 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.307 0.990 25461 6272 1 16 . 1 1 74 74 GLN H H 74 8.884 8.884 8.444 0.440 25461 6273 1 16 . 1 1 75 75 ASN N N 75 113.460 113.460 117.780 -4.320 25461 6274 1 16 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.451 -0.089 25461 6275 1 16 . 1 1 75 75 ASN C C 75 176.122 176.122 177.561 -1.439 25461 6276 1 16 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.788 -0.297 25461 6277 1 16 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.534 0.438 25461 6278 1 16 . 1 1 75 75 ASN H H 75 7.472 7.472 8.322 -0.850 25461 6279 1 16 . 1 1 76 76 LEU N N 76 118.225 118.225 116.499 1.726 25461 6280 1 16 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.436 -0.129 25461 6281 1 16 . 1 1 76 76 LEU C C 76 175.358 175.358 176.272 -0.914 25461 6282 1 16 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.573 -0.195 25461 6283 1 16 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.643 0.793 25461 6284 1 16 . 1 1 76 76 LEU H H 76 7.130 7.130 7.503 -0.373 25461 6285 1 16 . 1 1 77 77 ALA N N 77 122.753 122.753 119.460 3.293 25461 6286 1 16 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.645 -0.199 25461 6287 1 16 . 1 1 77 77 ALA C C 77 173.976 173.976 174.847 -0.871 25461 6288 1 16 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.338 0.084 25461 6289 1 16 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.659 -1.276 25461 6290 1 16 . 1 1 77 77 ALA H H 77 7.784 7.784 7.681 0.103 25461 6291 1 16 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.394 -0.008 25461 6292 1 16 . 1 1 78 78 PRO C C 78 177.311 177.311 176.939 0.372 25461 6293 1 16 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.132 0.466 25461 6294 1 16 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.740 0.401 25461 6295 1 16 . 1 1 79 79 ASN N N 79 111.571 111.571 115.549 -3.978 25461 6296 1 16 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.700 0.054 25461 6297 1 16 . 1 1 79 79 ASN C C 79 175.765 175.765 175.801 -0.036 25461 6298 1 16 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.412 -0.250 25461 6299 1 16 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.403 -1.521 25461 6300 1 16 . 1 1 79 79 ASN H H 79 7.868 7.868 7.779 0.089 25461 6301 1 16 . 1 1 80 80 LEU N N 80 119.219 119.219 119.008 0.211 25461 6302 1 16 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.233 0.135 25461 6303 1 16 . 1 1 80 80 LEU C C 80 175.715 175.715 176.130 -0.415 25461 6304 1 16 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.928 -0.079 25461 6305 1 16 . 1 1 80 80 LEU CB C 80 43.172 43.172 42.795 0.377 25461 6306 1 16 . 1 1 80 80 LEU H H 80 7.176 7.176 7.337 -0.161 25461 6307 1 16 . 1 1 81 81 HIS N N 81 123.894 123.894 122.312 1.582 25461 6308 1 16 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.679 0.063 25461 6309 1 16 . 1 1 81 81 HIS C C 81 176.185 176.185 174.914 1.271 25461 6310 1 16 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.350 0.142 25461 6311 1 16 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.235 0.941 25461 6312 1 16 . 1 1 81 81 HIS H H 81 9.023 9.023 8.415 0.608 25461 6313 1 16 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.228 -0.215 25461 6314 1 16 . 1 1 82 82 PRO C C 82 178.774 178.774 178.206 0.568 25461 6315 1 16 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.277 1.118 25461 6316 1 16 . 1 1 82 82 PRO CB C 82 32.035 32.035 31.933 0.102 25461 6317 1 16 . 1 1 83 83 GLU N N 83 120.128 120.128 119.194 0.934 25461 6318 1 16 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.261 0.149 25461 6319 1 16 . 1 1 83 83 GLU C C 83 181.651 181.651 178.676 2.975 25461 6320 1 16 . 1 1 83 83 GLU CA C 83 59.229 59.229 58.774 0.455 25461 6321 1 16 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.590 -0.294 25461 6322 1 16 . 1 1 83 83 GLU H H 83 11.938 11.938 8.397 3.541 25461 6323 1 16 . 1 1 84 84 GLN N N 84 117.052 117.052 119.790 -2.738 25461 6324 1 16 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.925 0.056 25461 6325 1 16 . 1 1 84 84 GLN C C 84 179.958 179.958 178.701 1.257 25461 6326 1 16 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.791 0.159 25461 6327 1 16 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.581 2.089 25461 6328 1 16 . 1 1 84 84 GLN H H 84 7.467 7.467 7.542 -0.075 25461 6329 1 16 . 1 1 85 85 ILE N N 85 120.448 120.448 120.217 0.231 25461 6330 1 16 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.705 -0.372 25461 6331 1 16 . 1 1 85 85 ILE C C 85 176.960 176.960 177.457 -0.497 25461 6332 1 16 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.749 0.779 25461 6333 1 16 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.641 0.171 25461 6334 1 16 . 1 1 85 85 ILE H H 85 7.750 7.750 7.881 -0.131 25461 6335 1 16 . 1 1 86 86 ARG N N 86 119.593 119.593 119.481 0.112 25461 6336 1 16 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.878 -0.155 25461 6337 1 16 . 1 1 86 86 ARG C C 86 177.115 177.115 178.513 -1.398 25461 6338 1 16 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.529 1.290 25461 6339 1 16 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.721 0.505 25461 6340 1 16 . 1 1 86 86 ARG H H 86 8.868 8.868 7.714 1.154 25461 6341 1 16 . 1 1 87 87 TYR N N 87 116.869 116.869 119.824 -2.955 25461 6342 1 16 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.372 0.128 25461 6343 1 16 . 1 1 87 87 TYR C C 87 177.597 177.597 178.349 -0.752 25461 6344 1 16 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.320 -0.197 25461 6345 1 16 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.239 0.196 25461 6346 1 16 . 1 1 87 87 TYR H H 87 7.684 7.684 7.862 -0.178 25461 6347 1 16 . 1 1 88 88 SER N N 88 110.655 110.655 116.358 -5.703 25461 6348 1 16 . 1 1 88 88 SER HA H 88 4.155 4.155 3.932 0.223 25461 6349 1 16 . 1 1 88 88 SER C C 88 177.666 177.666 176.729 0.937 25461 6350 1 16 . 1 1 88 88 SER CA C 88 61.207 61.207 62.602 -1.395 25461 6351 1 16 . 1 1 88 88 SER CB C 88 62.880 62.880 62.930 -0.050 25461 6352 1 16 . 1 1 88 88 SER H H 88 7.510 7.510 8.361 -0.851 25461 6353 1 16 . 1 1 89 89 LEU N N 89 119.356 119.356 122.102 -2.746 25461 6354 1 16 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.110 0.083 25461 6355 1 16 . 1 1 89 89 LEU C C 89 180.057 180.057 179.948 0.109 25461 6356 1 16 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.818 -0.441 25461 6357 1 16 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.682 1.663 25461 6358 1 16 . 1 1 89 89 LEU H H 89 8.522 8.522 8.682 -0.160 25461 6359 1 16 . 1 1 90 90 GLU N N 90 120.190 120.190 119.142 1.048 25461 6360 1 16 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.220 -0.104 25461 6361 1 16 . 1 1 90 90 GLU C C 90 177.812 177.812 179.248 -1.436 25461 6362 1 16 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.316 -0.274 25461 6363 1 16 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.336 0.656 25461 6364 1 16 . 1 1 90 90 GLU H H 90 8.511 8.511 7.961 0.550 25461 6365 1 16 . 1 1 91 91 ASN N N 91 115.736 115.736 118.185 -2.449 25461 6366 1 16 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.581 0.105 25461 6367 1 16 . 1 1 91 91 ASN C C 91 177.109 177.109 178.032 -0.923 25461 6368 1 16 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.176 -0.486 25461 6369 1 16 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.861 1.625 25461 6370 1 16 . 1 1 91 91 ASN H H 91 7.465 7.465 7.867 -0.402 25461 6371 1 16 . 1 1 92 92 THR N N 92 110.330 110.330 111.651 -1.321 25461 6372 1 16 . 1 1 92 92 THR HA H 92 4.142 4.142 4.312 -0.170 25461 6373 1 16 . 1 1 92 92 THR C C 92 176.599 176.599 176.092 0.507 25461 6374 1 16 . 1 1 92 92 THR CA C 92 62.581 62.581 64.355 -1.774 25461 6375 1 16 . 1 1 92 92 THR CB C 92 70.198 70.198 69.441 0.757 25461 6376 1 16 . 1 1 92 92 THR H H 92 9.251 9.251 8.362 0.889 25461 6377 1 16 . 1 1 93 93 GLY N N 93 112.211 112.211 109.990 2.221 25461 6378 1 16 . 1 1 93 93 GLY C C 93 174.132 174.132 173.722 0.410 25461 6379 1 16 . 1 1 93 93 GLY CA C 93 45.671 45.671 44.922 0.749 25461 6380 1 16 . 1 1 93 93 GLY H H 93 8.682 8.682 7.958 0.724 25461 6381 1 16 . 1 1 94 94 SER N N 94 111.808 111.808 114.511 -2.703 25461 6382 1 16 . 1 1 94 94 SER HA H 94 4.784 4.784 4.744 0.040 25461 6383 1 16 . 1 1 94 94 SER C C 94 173.862 173.862 174.508 -0.646 25461 6384 1 16 . 1 1 94 94 SER CA C 94 56.221 56.221 56.154 0.067 25461 6385 1 16 . 1 1 94 94 SER CB C 94 64.454 64.454 65.868 -1.414 25461 6386 1 16 . 1 1 94 94 SER H H 94 8.058 8.058 7.620 0.438 25461 6387 1 16 . 1 1 95 95 VAL N N 95 129.818 129.818 125.964 3.854 25461 6388 1 16 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.635 -0.278 25461 6389 1 16 . 1 1 95 95 VAL C C 95 176.909 176.909 177.430 -0.521 25461 6390 1 16 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.207 -0.400 25461 6391 1 16 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.837 0.482 25461 6392 1 16 . 1 1 95 95 VAL H H 95 8.983 8.983 8.939 0.044 25461 6393 1 16 . 1 1 96 96 GLU N N 96 117.745 117.745 120.208 -2.463 25461 6394 1 16 . 1 1 96 96 GLU HA H 96 3.824 3.824 4.023 -0.199 25461 6395 1 16 . 1 1 96 96 GLU C C 96 179.126 179.126 178.326 0.800 25461 6396 1 16 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.566 1.259 25461 6397 1 16 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.464 0.545 25461 6398 1 16 . 1 1 96 96 GLU H H 96 8.673 8.673 8.615 0.058 25461 6399 1 16 . 1 1 97 97 GLU N N 97 120.049 120.049 118.920 1.129 25461 6400 1 16 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.076 0.070 25461 6401 1 16 . 1 1 97 97 GLU C C 97 178.947 178.947 178.809 0.138 25461 6402 1 16 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.464 -0.523 25461 6403 1 16 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.216 0.528 25461 6404 1 16 . 1 1 97 97 GLU H H 97 8.125 8.125 8.529 -0.404 25461 6405 1 16 . 1 1 98 98 THR N N 98 118.623 118.623 116.497 2.126 25461 6406 1 16 . 1 1 98 98 THR HA H 98 3.805 3.805 4.069 -0.264 25461 6407 1 16 . 1 1 98 98 THR C C 98 175.676 175.676 176.695 -1.019 25461 6408 1 16 . 1 1 98 98 THR CA C 98 70.162 70.162 67.319 2.843 25461 6409 1 16 . 1 1 98 98 THR CB C 98 69.317 69.317 68.591 0.726 25461 6410 1 16 . 1 1 98 98 THR H H 98 8.038 8.038 7.636 0.402 25461 6411 1 16 . 1 1 99 99 VAL N N 99 120.683 120.683 121.026 -0.343 25461 6412 1 16 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.819 -0.278 25461 6413 1 16 . 1 1 99 99 VAL C C 99 177.456 177.456 177.659 -0.203 25461 6414 1 16 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.239 1.685 25461 6415 1 16 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.886 0.680 25461 6416 1 16 . 1 1 99 99 VAL H H 99 8.724 8.724 8.479 0.245 25461 6417 1 16 . 1 1 100 100 GLU N N 100 120.914 120.914 119.867 1.047 25461 6418 1 16 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.081 -0.067 25461 6419 1 16 . 1 1 100 100 GLU C C 100 179.857 179.857 179.382 0.475 25461 6420 1 16 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.984 0.236 25461 6421 1 16 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.555 -0.347 25461 6422 1 16 . 1 1 100 100 GLU H H 100 8.324 8.324 8.338 -0.014 25461 6423 1 16 . 1 1 101 101 ARG N N 101 118.451 118.451 117.898 0.553 25461 6424 1 16 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.229 -0.356 25461 6425 1 16 . 1 1 101 101 ARG C C 101 178.078 178.078 178.038 0.040 25461 6426 1 16 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.935 1.042 25461 6427 1 16 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.910 0.036 25461 6428 1 16 . 1 1 101 101 ARG H H 101 8.197 8.197 8.323 -0.126 25461 6429 1 16 . 1 1 102 102 TYR N N 102 119.888 119.888 123.751 -3.863 25461 6430 1 16 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.300 0.175 25461 6431 1 16 . 1 1 102 102 TYR C C 102 180.056 180.056 177.994 2.062 25461 6432 1 16 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.171 0.355 25461 6433 1 16 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.386 -0.870 25461 6434 1 16 . 1 1 102 102 TYR H H 102 8.180 8.180 8.120 0.060 25461 6435 1 16 . 1 1 103 103 LEU N N 103 122.091 122.091 119.007 3.084 25461 6436 1 16 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.577 0.254 25461 6437 1 16 . 1 1 103 103 LEU C C 103 178.973 178.973 178.020 0.953 25461 6438 1 16 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.478 -0.053 25461 6439 1 16 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.329 0.293 25461 6440 1 16 . 1 1 103 103 LEU H H 103 9.050 9.050 8.208 0.842 25461 6441 1 16 . 1 1 104 104 ARG N N 104 116.388 116.388 119.171 -2.783 25461 6442 1 16 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.338 0.038 25461 6443 1 16 . 1 1 104 104 ARG C C 104 176.877 176.877 177.256 -0.379 25461 6444 1 16 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.951 0.621 25461 6445 1 16 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.596 -0.118 25461 6446 1 16 . 1 1 104 104 ARG H H 104 7.888 7.888 7.706 0.182 25461 6447 1 16 . 1 1 105 105 GLY N N 105 107.432 107.432 108.238 -0.806 25461 6448 1 16 . 1 1 105 105 GLY C C 105 174.796 174.796 174.332 0.464 25461 6449 1 16 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.716 0.616 25461 6450 1 16 . 1 1 105 105 GLY H H 105 7.688 7.688 7.888 -0.200 25461 6451 1 16 . 1 1 106 106 ASP N N 106 121.505 121.505 120.448 1.057 25461 6452 1 16 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.625 -0.244 25461 6453 1 16 . 1 1 106 106 ASP C C 106 175.595 175.595 176.487 -0.892 25461 6454 1 16 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.691 0.346 25461 6455 1 16 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.161 -1.591 25461 6456 1 16 . 1 1 106 106 ASP H H 106 7.878 7.878 8.224 -0.346 25461 6457 1 16 . 1 1 107 107 GLU N N 107 119.581 119.581 118.588 0.993 25461 6458 1 16 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.480 -0.098 25461 6459 1 16 . 1 1 107 107 GLU C C 107 177.123 177.123 175.533 1.590 25461 6460 1 16 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.526 -0.051 25461 6461 1 16 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.405 0.117 25461 6462 1 16 . 1 1 107 107 GLU H H 107 8.394 8.394 8.456 -0.062 25461 6463 1 16 . 1 1 108 108 PHE N N 108 126.975 126.975 120.820 6.155 25461 6464 1 16 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.770 -0.148 25461 6465 1 16 . 1 1 108 108 PHE C C 108 176.186 176.186 175.290 0.896 25461 6466 1 16 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.323 -0.093 25461 6467 1 16 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.678 -0.434 25461 6468 1 16 . 1 1 108 108 PHE H H 108 9.373 9.373 8.654 0.719 25461 6469 1 16 . 1 1 109 109 SER N N 109 121.198 121.198 119.740 1.458 25461 6470 1 16 . 1 1 109 109 SER HA H 109 4.582 4.582 4.615 -0.033 25461 6471 1 16 . 1 1 109 109 SER C C 109 175.060 175.060 173.093 1.967 25461 6472 1 16 . 1 1 109 109 SER CA C 109 58.928 58.928 58.088 0.840 25461 6473 1 16 . 1 1 109 109 SER CB C 109 64.213 64.213 64.453 -0.240 25461 6474 1 16 . 1 1 109 109 SER H H 109 8.694 8.694 8.315 0.379 25461 6475 1 16 . 1 1 110 110 PHE N N 110 121.734 121.734 119.287 2.447 25461 6476 1 16 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.623 -0.436 25461 6477 1 16 . 1 1 110 110 PHE C C 110 172.930 172.930 173.592 -0.662 25461 6478 1 16 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.562 2.187 25461 6479 1 16 . 1 1 110 110 PHE CB C 110 38.497 38.497 40.419 -1.922 25461 6480 1 16 . 1 1 110 110 PHE H H 110 8.965 8.965 8.367 0.598 25461 6481 1 16 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.263 0.086 25461 6482 1 16 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.171 -0.099 25461 6483 1 16 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.223 0.095 25461 6484 1 16 . 1 1 112 112 PRO C C 112 177.703 177.703 178.011 -0.308 25461 6485 1 16 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.706 -0.117 25461 6486 1 16 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.891 -0.133 25461 6487 1 16 . 1 1 113 113 GLY N N 113 110.960 110.960 109.619 1.341 25461 6488 1 16 . 1 1 113 113 GLY C C 113 174.074 174.074 175.445 -1.371 25461 6489 1 16 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.555 -0.395 25461 6490 1 16 . 1 1 113 113 GLY H H 113 8.682 8.682 8.718 -0.036 25461 6491 1 16 . 1 1 114 114 PHE N N 114 120.992 120.992 122.025 -1.033 25461 6492 1 16 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.223 0.087 25461 6493 1 16 . 1 1 114 114 PHE C C 114 174.567 174.567 176.731 -2.164 25461 6494 1 16 . 1 1 114 114 PHE CA C 114 59.324 59.324 60.142 -0.819 25461 6495 1 16 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.484 0.665 25461 6496 1 16 . 1 1 114 114 PHE H H 114 7.771 7.771 7.693 0.078 25461 6497 1 17 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.582 -0.225 25461 6498 1 17 . 1 1 42 42 ALA C C 42 177.825 177.825 177.108 0.717 25461 6499 1 17 . 1 1 42 42 ALA CA C 42 52.674 52.674 51.873 0.801 25461 6500 1 17 . 1 1 42 42 ALA CB C 42 19.452 19.452 20.549 -1.097 25461 6501 1 17 . 1 1 43 43 MET N N 43 119.667 119.667 122.227 -2.560 25461 6502 1 17 . 1 1 43 43 MET HA H 43 4.549 4.549 4.641 -0.092 25461 6503 1 17 . 1 1 43 43 MET C C 43 176.478 176.478 175.545 0.933 25461 6504 1 17 . 1 1 43 43 MET CA C 43 55.344 55.344 54.160 1.183 25461 6505 1 17 . 1 1 43 43 MET CB C 43 33.129 33.129 29.985 3.144 25461 6506 1 17 . 1 1 43 43 MET H H 43 8.507 8.507 8.456 0.051 25461 6507 1 17 . 1 1 44 44 GLY N N 44 110.244 110.244 111.227 -0.983 25461 6508 1 17 . 1 1 44 44 GLY C C 44 172.009 172.009 172.311 -0.302 25461 6509 1 17 . 1 1 44 44 GLY CA C 44 44.642 44.642 45.382 -0.740 25461 6510 1 17 . 1 1 44 44 GLY H H 44 8.251 8.251 8.208 0.043 25461 6511 1 17 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.306 0.127 25461 6512 1 17 . 1 1 45 45 PRO C C 45 177.510 177.510 176.189 1.321 25461 6513 1 17 . 1 1 45 45 PRO CA C 45 63.405 63.405 63.561 -0.156 25461 6514 1 17 . 1 1 45 45 PRO CB C 45 32.106 32.106 31.328 0.778 25461 6515 1 17 . 1 1 46 46 GLN N N 46 120.607 120.607 122.053 -1.446 25461 6516 1 17 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.492 -0.146 25461 6517 1 17 . 1 1 46 46 GLN C C 46 176.687 176.687 175.235 1.452 25461 6518 1 17 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.685 0.371 25461 6519 1 17 . 1 1 46 46 GLN CB C 46 29.423 29.423 31.475 -2.052 25461 6520 1 17 . 1 1 46 46 GLN H H 46 8.628 8.628 8.175 0.453 25461 6521 1 17 . 1 1 47 47 GLY N N 47 110.011 110.011 111.537 -1.526 25461 6522 1 17 . 1 1 47 47 GLY C C 47 174.308 174.308 173.085 1.223 25461 6523 1 17 . 1 1 47 47 GLY CA C 47 45.434 45.434 45.856 -0.422 25461 6524 1 17 . 1 1 47 47 GLY H H 47 8.411 8.411 8.616 -0.205 25461 6525 1 17 . 1 1 48 48 SER N N 48 115.646 115.646 116.192 -0.546 25461 6526 1 17 . 1 1 48 48 SER HA H 48 4.542 4.542 4.703 -0.161 25461 6527 1 17 . 1 1 48 48 SER C C 48 175.288 175.288 173.583 1.705 25461 6528 1 17 . 1 1 48 48 SER CA C 48 58.437 58.437 57.081 1.356 25461 6529 1 17 . 1 1 48 48 SER CB C 48 63.965 63.965 65.197 -1.232 25461 6530 1 17 . 1 1 48 48 SER H H 48 8.284 8.284 7.869 0.415 25461 6531 1 17 . 1 1 49 49 THR N N 49 115.928 115.928 114.221 1.707 25461 6532 1 17 . 1 1 49 49 THR HA H 49 4.343 4.343 4.184 0.160 25461 6533 1 17 . 1 1 49 49 THR C C 49 174.948 174.948 174.875 0.073 25461 6534 1 17 . 1 1 49 49 THR CA C 49 62.294 62.294 63.498 -1.204 25461 6535 1 17 . 1 1 49 49 THR CB C 49 69.614 69.614 69.027 0.587 25461 6536 1 17 . 1 1 49 49 THR H H 49 8.282 8.282 8.235 0.047 25461 6537 1 17 . 1 1 50 50 GLN N N 50 122.155 122.155 118.917 3.238 25461 6538 1 17 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.051 0.336 25461 6539 1 17 . 1 1 50 50 GLN C C 50 176.071 176.071 175.097 0.974 25461 6540 1 17 . 1 1 50 50 GLN CA C 50 56.390 56.390 56.565 -0.175 25461 6541 1 17 . 1 1 50 50 GLN CB C 50 29.226 29.226 26.185 3.041 25461 6542 1 17 . 1 1 50 50 GLN H H 50 8.401 8.401 8.767 -0.366 25461 6543 1 17 . 1 1 51 51 ASN N N 51 119.604 119.604 117.099 2.505 25461 6544 1 17 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.543 0.095 25461 6545 1 17 . 1 1 51 51 ASN C C 51 175.275 175.275 175.389 -0.114 25461 6546 1 17 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.751 -0.101 25461 6547 1 17 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.914 -0.057 25461 6548 1 17 . 1 1 51 51 ASN H H 51 8.395 8.395 7.661 0.734 25461 6549 1 17 . 1 1 52 52 ALA N N 52 124.054 124.054 127.001 -2.947 25461 6550 1 17 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.399 -0.137 25461 6551 1 17 . 1 1 52 52 ALA C C 52 177.915 177.915 176.371 1.544 25461 6552 1 17 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.339 0.752 25461 6553 1 17 . 1 1 52 52 ALA CB C 52 19.174 19.174 18.942 0.232 25461 6554 1 17 . 1 1 52 52 ALA H H 52 8.227 8.227 8.462 -0.235 25461 6555 1 17 . 1 1 53 53 LEU N N 53 120.325 120.325 123.468 -3.143 25461 6556 1 17 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.822 -0.530 25461 6557 1 17 . 1 1 53 53 LEU C C 53 177.531 177.531 176.292 1.239 25461 6558 1 17 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.378 1.065 25461 6559 1 17 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.337 -2.130 25461 6560 1 17 . 1 1 53 53 LEU H H 53 8.097 8.097 8.520 -0.423 25461 6561 1 17 . 1 1 54 54 ARG N N 54 121.409 121.409 120.389 1.020 25461 6562 1 17 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.691 -0.358 25461 6563 1 17 . 1 1 54 54 ARG C C 54 176.332 176.332 175.581 0.751 25461 6564 1 17 . 1 1 54 54 ARG CA C 54 56.187 56.187 55.223 0.964 25461 6565 1 17 . 1 1 54 54 ARG CB C 54 30.736 30.736 31.025 -0.289 25461 6566 1 17 . 1 1 54 54 ARG H H 54 8.155 8.155 8.284 -0.129 25461 6567 1 17 . 1 1 55 55 ARG N N 55 122.380 122.380 121.980 0.400 25461 6568 1 17 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.580 -0.162 25461 6569 1 17 . 1 1 55 55 ARG C C 55 176.563 176.563 175.571 0.992 25461 6570 1 17 . 1 1 55 55 ARG CA C 55 56.289 56.289 55.815 0.474 25461 6571 1 17 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.803 1.035 25461 6572 1 17 . 1 1 55 55 ARG H H 55 8.389 8.389 8.485 -0.096 25461 6573 1 17 . 1 1 56 56 THR N N 56 114.693 114.693 119.078 -4.385 25461 6574 1 17 . 1 1 56 56 THR HA H 56 4.372 4.372 4.381 -0.009 25461 6575 1 17 . 1 1 56 56 THR C C 56 175.062 175.062 175.286 -0.224 25461 6576 1 17 . 1 1 56 56 THR CA C 56 61.926 61.926 62.644 -0.718 25461 6577 1 17 . 1 1 56 56 THR CB C 56 70.016 70.016 69.688 0.328 25461 6578 1 17 . 1 1 56 56 THR H H 56 8.204 8.204 8.350 -0.146 25461 6579 1 17 . 1 1 57 57 GLY N N 57 111.042 111.042 112.513 -1.471 25461 6580 1 17 . 1 1 57 57 GLY C C 57 173.868 173.868 173.140 0.728 25461 6581 1 17 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.460 0.831 25461 6582 1 17 . 1 1 57 57 GLY H H 57 8.424 8.424 8.043 0.381 25461 6583 1 17 . 1 1 58 58 ARG N N 58 120.824 120.824 121.651 -0.827 25461 6584 1 17 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.689 -0.303 25461 6585 1 17 . 1 1 58 58 ARG C C 58 176.522 176.522 176.613 -0.091 25461 6586 1 17 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.658 0.452 25461 6587 1 17 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.916 0.158 25461 6588 1 17 . 1 1 58 58 ARG H H 58 8.232 8.232 8.411 -0.179 25461 6589 1 17 . 1 1 59 59 VAL N N 59 121.437 121.437 120.512 0.925 25461 6590 1 17 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.017 0.103 25461 6591 1 17 . 1 1 59 59 VAL C C 59 176.022 176.022 176.172 -0.150 25461 6592 1 17 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.682 -0.269 25461 6593 1 17 . 1 1 59 59 VAL CB C 59 32.815 32.815 31.743 1.072 25461 6594 1 17 . 1 1 59 59 VAL H H 59 8.307 8.307 8.460 -0.153 25461 6595 1 17 . 1 1 60 60 ASN N N 60 122.487 122.487 117.975 4.512 25461 6596 1 17 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.514 0.223 25461 6597 1 17 . 1 1 60 60 ASN C C 60 175.521 175.521 176.584 -1.063 25461 6598 1 17 . 1 1 60 60 ASN CA C 60 53.375 53.375 55.245 -1.870 25461 6599 1 17 . 1 1 60 60 ASN CB C 60 39.098 39.098 38.720 0.378 25461 6600 1 17 . 1 1 60 60 ASN H H 60 8.593 8.593 8.041 0.552 25461 6601 1 17 . 1 1 61 61 GLY N N 61 109.681 109.681 106.816 2.865 25461 6602 1 17 . 1 1 61 61 GLY C C 61 174.361 174.361 174.235 0.126 25461 6603 1 17 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.009 0.490 25461 6604 1 17 . 1 1 61 61 GLY H H 61 8.407 8.407 8.359 0.048 25461 6605 1 17 . 1 1 62 62 GLY N N 62 108.197 108.197 110.742 -2.545 25461 6606 1 17 . 1 1 62 62 GLY C C 62 173.866 173.866 173.401 0.465 25461 6607 1 17 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.182 0.930 25461 6608 1 17 . 1 1 62 62 GLY H H 62 8.209 8.209 7.779 0.430 25461 6609 1 17 . 1 1 63 63 HIS N N 63 121.370 121.370 119.113 2.257 25461 6610 1 17 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.745 0.054 25461 6611 1 17 . 1 1 63 63 HIS C C 63 173.562 173.562 174.349 -0.787 25461 6612 1 17 . 1 1 63 63 HIS CA C 63 54.846 54.846 55.505 -0.659 25461 6613 1 17 . 1 1 63 63 HIS CB C 63 30.172 30.172 30.436 -0.264 25461 6614 1 17 . 1 1 63 63 HIS H H 63 8.587 8.587 8.245 0.342 25461 6615 1 17 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.443 0.018 25461 6616 1 17 . 1 1 64 64 PRO C C 64 176.406 176.406 176.368 0.038 25461 6617 1 17 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.943 0.145 25461 6618 1 17 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.264 -0.261 25461 6619 1 17 . 1 1 65 65 VAL N N 65 122.214 122.214 118.124 4.090 25461 6620 1 17 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.564 -0.210 25461 6621 1 17 . 1 1 65 65 VAL C C 65 176.217 176.217 175.056 1.161 25461 6622 1 17 . 1 1 65 65 VAL CA C 65 62.233 62.233 60.563 1.669 25461 6623 1 17 . 1 1 65 65 VAL CB C 65 34.354 34.354 33.603 0.751 25461 6624 1 17 . 1 1 65 65 VAL H H 65 8.436 8.436 7.948 0.488 25461 6625 1 17 . 1 1 66 66 THR N N 66 118.215 118.215 112.134 6.081 25461 6626 1 17 . 1 1 66 66 THR HA H 66 4.844 4.844 4.716 0.128 25461 6627 1 17 . 1 1 66 66 THR C C 66 175.632 175.632 175.067 0.565 25461 6628 1 17 . 1 1 66 66 THR CA C 66 59.250 59.250 60.243 -0.993 25461 6629 1 17 . 1 1 66 66 THR CB C 66 71.632 71.632 71.247 0.385 25461 6630 1 17 . 1 1 66 66 THR H H 66 7.765 7.765 8.024 -0.259 25461 6631 1 17 . 1 1 67 67 THR N N 67 116.809 116.809 117.015 -0.206 25461 6632 1 17 . 1 1 67 67 THR HA H 67 3.846 3.846 3.975 -0.129 25461 6633 1 17 . 1 1 67 67 THR C C 67 176.323 176.323 176.466 -0.143 25461 6634 1 17 . 1 1 67 67 THR CA C 67 66.206 66.206 66.166 0.040 25461 6635 1 17 . 1 1 67 67 THR CB C 67 68.417 68.417 68.594 -0.177 25461 6636 1 17 . 1 1 67 67 THR H H 67 8.901 8.901 8.539 0.362 25461 6637 1 17 . 1 1 68 68 GLN N N 68 120.255 120.255 119.236 1.019 25461 6638 1 17 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.287 -0.204 25461 6639 1 17 . 1 1 68 68 GLN C C 68 179.056 179.056 178.226 0.830 25461 6640 1 17 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.746 0.908 25461 6641 1 17 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.541 0.390 25461 6642 1 17 . 1 1 68 68 GLN H H 68 8.290 8.290 8.766 -0.476 25461 6643 1 17 . 1 1 69 69 MET N N 69 120.434 120.434 118.717 1.717 25461 6644 1 17 . 1 1 69 69 MET HA H 69 3.918 3.918 4.173 -0.255 25461 6645 1 17 . 1 1 69 69 MET C C 69 177.390 177.390 178.183 -0.793 25461 6646 1 17 . 1 1 69 69 MET CA C 69 59.757 59.757 58.913 0.843 25461 6647 1 17 . 1 1 69 69 MET CB C 69 35.178 35.178 32.169 3.009 25461 6648 1 17 . 1 1 69 69 MET H H 69 7.718 7.718 7.641 0.077 25461 6649 1 17 . 1 1 70 70 VAL N N 70 118.137 118.137 119.080 -0.943 25461 6650 1 17 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.577 -0.243 25461 6651 1 17 . 1 1 70 70 VAL C C 70 177.985 177.985 177.851 0.134 25461 6652 1 17 . 1 1 70 70 VAL CA C 70 66.374 66.374 67.213 -0.839 25461 6653 1 17 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.158 0.531 25461 6654 1 17 . 1 1 70 70 VAL H H 70 7.322 7.322 7.434 -0.112 25461 6655 1 17 . 1 1 71 71 GLU N N 71 118.717 118.717 118.732 -0.015 25461 6656 1 17 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.935 -0.003 25461 6657 1 17 . 1 1 71 71 GLU C C 71 178.984 178.984 179.219 -0.235 25461 6658 1 17 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.432 -0.104 25461 6659 1 17 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.899 0.683 25461 6660 1 17 . 1 1 71 71 GLU H H 71 8.446 8.446 8.100 0.346 25461 6661 1 17 . 1 1 72 72 THR N N 72 116.413 116.413 117.476 -1.063 25461 6662 1 17 . 1 1 72 72 THR HA H 72 3.885 3.885 3.960 -0.075 25461 6663 1 17 . 1 1 72 72 THR C C 72 176.837 176.837 176.791 0.046 25461 6664 1 17 . 1 1 72 72 THR CA C 72 66.924 66.924 66.510 0.414 25461 6665 1 17 . 1 1 72 72 THR CB C 72 68.594 68.594 68.565 0.029 25461 6666 1 17 . 1 1 72 72 THR H H 72 8.055 8.055 8.445 -0.390 25461 6667 1 17 . 1 1 73 73 VAL N N 73 119.440 119.440 121.365 -1.925 25461 6668 1 17 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.516 -0.155 25461 6669 1 17 . 1 1 73 73 VAL C C 73 177.119 177.119 177.696 -0.577 25461 6670 1 17 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.995 -0.522 25461 6671 1 17 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.200 -0.287 25461 6672 1 17 . 1 1 73 73 VAL H H 73 7.521 7.521 7.822 -0.301 25461 6673 1 17 . 1 1 74 74 GLN N N 74 120.105 120.105 118.884 1.221 25461 6674 1 17 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.929 -0.288 25461 6675 1 17 . 1 1 74 74 GLN C C 74 177.761 177.761 178.371 -0.610 25461 6676 1 17 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.728 -0.005 25461 6677 1 17 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.340 0.957 25461 6678 1 17 . 1 1 74 74 GLN H H 74 8.884 8.884 8.307 0.577 25461 6679 1 17 . 1 1 75 75 ASN N N 75 113.460 113.460 117.586 -4.126 25461 6680 1 17 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.439 -0.077 25461 6681 1 17 . 1 1 75 75 ASN C C 75 176.122 176.122 177.485 -1.363 25461 6682 1 17 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.776 -0.285 25461 6683 1 17 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.627 0.345 25461 6684 1 17 . 1 1 75 75 ASN H H 75 7.472 7.472 8.197 -0.725 25461 6685 1 17 . 1 1 76 76 LEU N N 76 118.225 118.225 117.028 1.197 25461 6686 1 17 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.440 -0.133 25461 6687 1 17 . 1 1 76 76 LEU C C 76 175.358 175.358 176.659 -1.301 25461 6688 1 17 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.719 -0.341 25461 6689 1 17 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.639 0.797 25461 6690 1 17 . 1 1 76 76 LEU H H 76 7.130 7.130 7.564 -0.434 25461 6691 1 17 . 1 1 77 77 ALA N N 77 122.753 122.753 119.486 3.267 25461 6692 1 17 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.477 -0.031 25461 6693 1 17 . 1 1 77 77 ALA C C 77 173.976 173.976 175.122 -1.146 25461 6694 1 17 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.250 0.172 25461 6695 1 17 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.467 -1.084 25461 6696 1 17 . 1 1 77 77 ALA H H 77 7.784 7.784 7.779 0.005 25461 6697 1 17 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.432 -0.046 25461 6698 1 17 . 1 1 78 78 PRO C C 78 177.311 177.311 176.744 0.567 25461 6699 1 17 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.890 0.708 25461 6700 1 17 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.763 0.378 25461 6701 1 17 . 1 1 79 79 ASN N N 79 111.571 111.571 115.965 -4.394 25461 6702 1 17 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.699 0.055 25461 6703 1 17 . 1 1 79 79 ASN C C 79 175.765 175.765 175.495 0.270 25461 6704 1 17 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.573 -0.411 25461 6705 1 17 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.336 -1.454 25461 6706 1 17 . 1 1 79 79 ASN H H 79 7.868 7.868 8.385 -0.517 25461 6707 1 17 . 1 1 80 80 LEU N N 80 119.219 119.219 119.962 -0.743 25461 6708 1 17 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.369 -0.001 25461 6709 1 17 . 1 1 80 80 LEU C C 80 175.715 175.715 175.713 0.002 25461 6710 1 17 . 1 1 80 80 LEU CA C 80 53.849 53.849 54.114 -0.265 25461 6711 1 17 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.481 -0.309 25461 6712 1 17 . 1 1 80 80 LEU H H 80 7.176 7.176 7.321 -0.145 25461 6713 1 17 . 1 1 81 81 HIS N N 81 123.894 123.894 121.005 2.889 25461 6714 1 17 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.816 -0.074 25461 6715 1 17 . 1 1 81 81 HIS C C 81 176.185 176.185 174.461 1.724 25461 6716 1 17 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.940 0.552 25461 6717 1 17 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.974 0.202 25461 6718 1 17 . 1 1 81 81 HIS H H 81 9.023 9.023 9.014 0.009 25461 6719 1 17 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.372 -0.359 25461 6720 1 17 . 1 1 82 82 PRO C C 82 178.774 178.774 178.579 0.195 25461 6721 1 17 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.427 0.968 25461 6722 1 17 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.281 -0.246 25461 6723 1 17 . 1 1 83 83 GLU N N 83 120.128 120.128 119.009 1.119 25461 6724 1 17 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.165 0.245 25461 6725 1 17 . 1 1 83 83 GLU C C 83 181.651 181.651 178.777 2.874 25461 6726 1 17 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.309 -0.080 25461 6727 1 17 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.628 -0.332 25461 6728 1 17 . 1 1 83 83 GLU H H 83 11.938 11.938 8.441 3.497 25461 6729 1 17 . 1 1 84 84 GLN N N 84 117.052 117.052 119.316 -2.264 25461 6730 1 17 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.890 0.091 25461 6731 1 17 . 1 1 84 84 GLN C C 84 179.958 179.958 178.807 1.151 25461 6732 1 17 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.658 0.292 25461 6733 1 17 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.544 2.126 25461 6734 1 17 . 1 1 84 84 GLN H H 84 7.467 7.467 7.616 -0.149 25461 6735 1 17 . 1 1 85 85 ILE N N 85 120.448 120.448 120.773 -0.325 25461 6736 1 17 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.770 -0.437 25461 6737 1 17 . 1 1 85 85 ILE C C 85 176.960 176.960 178.122 -1.162 25461 6738 1 17 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.391 1.137 25461 6739 1 17 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.696 0.116 25461 6740 1 17 . 1 1 85 85 ILE H H 85 7.750 7.750 7.672 0.078 25461 6741 1 17 . 1 1 86 86 ARG N N 86 119.593 119.593 119.595 -0.002 25461 6742 1 17 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.875 -0.152 25461 6743 1 17 . 1 1 86 86 ARG C C 86 177.115 177.115 178.366 -1.251 25461 6744 1 17 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.589 1.230 25461 6745 1 17 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.710 0.516 25461 6746 1 17 . 1 1 86 86 ARG H H 86 8.868 8.868 7.626 1.242 25461 6747 1 17 . 1 1 87 87 TYR N N 87 116.869 116.869 120.696 -3.827 25461 6748 1 17 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.571 -0.071 25461 6749 1 17 . 1 1 87 87 TYR C C 87 177.597 177.597 178.233 -0.636 25461 6750 1 17 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.228 -0.105 25461 6751 1 17 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.565 -0.130 25461 6752 1 17 . 1 1 87 87 TYR H H 87 7.684 7.684 7.887 -0.203 25461 6753 1 17 . 1 1 88 88 SER N N 88 110.655 110.655 115.955 -5.300 25461 6754 1 17 . 1 1 88 88 SER HA H 88 4.155 4.155 3.820 0.335 25461 6755 1 17 . 1 1 88 88 SER C C 88 177.666 177.666 176.818 0.848 25461 6756 1 17 . 1 1 88 88 SER CA C 88 61.207 61.207 61.740 -0.533 25461 6757 1 17 . 1 1 88 88 SER CB C 88 62.880 62.880 63.002 -0.122 25461 6758 1 17 . 1 1 88 88 SER H H 88 7.510 7.510 8.492 -0.982 25461 6759 1 17 . 1 1 89 89 LEU N N 89 119.356 119.356 123.262 -3.906 25461 6760 1 17 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.181 0.012 25461 6761 1 17 . 1 1 89 89 LEU C C 89 180.057 180.057 179.702 0.355 25461 6762 1 17 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.822 -0.445 25461 6763 1 17 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.760 1.585 25461 6764 1 17 . 1 1 89 89 LEU H H 89 8.522 8.522 8.825 -0.303 25461 6765 1 17 . 1 1 90 90 GLU N N 90 120.190 120.190 119.618 0.572 25461 6766 1 17 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.246 -0.130 25461 6767 1 17 . 1 1 90 90 GLU C C 90 177.812 177.812 179.358 -1.546 25461 6768 1 17 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.498 -0.456 25461 6769 1 17 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.401 0.591 25461 6770 1 17 . 1 1 90 90 GLU H H 90 8.511 8.511 8.036 0.475 25461 6771 1 17 . 1 1 91 91 ASN N N 91 115.736 115.736 117.395 -1.659 25461 6772 1 17 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.500 0.186 25461 6773 1 17 . 1 1 91 91 ASN C C 91 177.109 177.109 177.847 -0.738 25461 6774 1 17 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.945 -0.255 25461 6775 1 17 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.673 1.813 25461 6776 1 17 . 1 1 91 91 ASN H H 91 7.465 7.465 7.885 -0.420 25461 6777 1 17 . 1 1 92 92 THR N N 92 110.330 110.330 110.468 -0.138 25461 6778 1 17 . 1 1 92 92 THR HA H 92 4.142 4.142 4.151 -0.009 25461 6779 1 17 . 1 1 92 92 THR C C 92 176.599 176.599 176.310 0.289 25461 6780 1 17 . 1 1 92 92 THR CA C 92 62.581 62.581 64.098 -1.517 25461 6781 1 17 . 1 1 92 92 THR CB C 92 70.198 70.198 69.861 0.338 25461 6782 1 17 . 1 1 92 92 THR H H 92 9.251 9.251 8.177 1.074 25461 6783 1 17 . 1 1 93 93 GLY N N 93 112.211 112.211 111.670 0.541 25461 6784 1 17 . 1 1 93 93 GLY C C 93 174.132 174.132 173.501 0.631 25461 6785 1 17 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.076 0.595 25461 6786 1 17 . 1 1 93 93 GLY H H 93 8.682 8.682 8.403 0.279 25461 6787 1 17 . 1 1 94 94 SER N N 94 111.808 111.808 113.842 -2.034 25461 6788 1 17 . 1 1 94 94 SER HA H 94 4.784 4.784 4.738 0.046 25461 6789 1 17 . 1 1 94 94 SER C C 94 173.862 173.862 174.829 -0.967 25461 6790 1 17 . 1 1 94 94 SER CA C 94 56.221 56.221 55.906 0.315 25461 6791 1 17 . 1 1 94 94 SER CB C 94 64.454 64.454 65.500 -1.046 25461 6792 1 17 . 1 1 94 94 SER H H 94 8.058 8.058 7.269 0.789 25461 6793 1 17 . 1 1 95 95 VAL N N 95 129.818 129.818 127.684 2.134 25461 6794 1 17 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.632 -0.275 25461 6795 1 17 . 1 1 95 95 VAL C C 95 176.909 176.909 177.254 -0.345 25461 6796 1 17 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.111 -0.304 25461 6797 1 17 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.997 0.322 25461 6798 1 17 . 1 1 95 95 VAL H H 95 8.983 8.983 9.080 -0.097 25461 6799 1 17 . 1 1 96 96 GLU N N 96 117.745 117.745 119.079 -1.334 25461 6800 1 17 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.861 -0.037 25461 6801 1 17 . 1 1 96 96 GLU C C 96 179.126 179.126 178.493 0.633 25461 6802 1 17 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.810 1.015 25461 6803 1 17 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.762 0.246 25461 6804 1 17 . 1 1 96 96 GLU H H 96 8.673 8.673 8.281 0.392 25461 6805 1 17 . 1 1 97 97 GLU N N 97 120.049 120.049 119.468 0.581 25461 6806 1 17 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.165 -0.019 25461 6807 1 17 . 1 1 97 97 GLU C C 97 178.947 178.947 178.801 0.146 25461 6808 1 17 . 1 1 97 97 GLU CA C 97 58.941 58.941 58.797 0.144 25461 6809 1 17 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.901 0.844 25461 6810 1 17 . 1 1 97 97 GLU H H 97 8.125 8.125 8.018 0.107 25461 6811 1 17 . 1 1 98 98 THR N N 98 118.623 118.623 117.764 0.859 25461 6812 1 17 . 1 1 98 98 THR HA H 98 3.805 3.805 4.095 -0.289 25461 6813 1 17 . 1 1 98 98 THR C C 98 175.676 175.676 177.240 -1.564 25461 6814 1 17 . 1 1 98 98 THR CA C 98 70.162 70.162 67.062 3.100 25461 6815 1 17 . 1 1 98 98 THR CB C 98 69.317 69.317 68.789 0.528 25461 6816 1 17 . 1 1 98 98 THR H H 98 8.038 8.038 7.553 0.485 25461 6817 1 17 . 1 1 99 99 VAL N N 99 120.683 120.683 121.371 -0.688 25461 6818 1 17 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.733 -0.192 25461 6819 1 17 . 1 1 99 99 VAL C C 99 177.456 177.456 177.558 -0.102 25461 6820 1 17 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.899 1.025 25461 6821 1 17 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.582 -0.016 25461 6822 1 17 . 1 1 99 99 VAL H H 99 8.724 8.724 8.533 0.191 25461 6823 1 17 . 1 1 100 100 GLU N N 100 120.914 120.914 120.118 0.796 25461 6824 1 17 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.087 -0.073 25461 6825 1 17 . 1 1 100 100 GLU C C 100 179.857 179.857 179.301 0.556 25461 6826 1 17 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.997 0.223 25461 6827 1 17 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.555 -0.347 25461 6828 1 17 . 1 1 100 100 GLU H H 100 8.324 8.324 8.191 0.133 25461 6829 1 17 . 1 1 101 101 ARG N N 101 118.451 118.451 118.349 0.102 25461 6830 1 17 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.170 -0.297 25461 6831 1 17 . 1 1 101 101 ARG C C 101 178.078 178.078 178.248 -0.170 25461 6832 1 17 . 1 1 101 101 ARG CA C 101 59.978 59.978 59.075 0.903 25461 6833 1 17 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.906 0.040 25461 6834 1 17 . 1 1 101 101 ARG H H 101 8.197 8.197 8.481 -0.284 25461 6835 1 17 . 1 1 102 102 TYR N N 102 119.888 119.888 123.734 -3.846 25461 6836 1 17 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.313 0.162 25461 6837 1 17 . 1 1 102 102 TYR C C 102 180.056 180.056 178.047 2.009 25461 6838 1 17 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.254 0.272 25461 6839 1 17 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.415 -0.899 25461 6840 1 17 . 1 1 102 102 TYR H H 102 8.180 8.180 8.184 -0.004 25461 6841 1 17 . 1 1 103 103 LEU N N 103 122.091 122.091 118.747 3.344 25461 6842 1 17 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.684 0.147 25461 6843 1 17 . 1 1 103 103 LEU C C 103 178.973 178.973 177.970 1.003 25461 6844 1 17 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.350 0.075 25461 6845 1 17 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.349 0.273 25461 6846 1 17 . 1 1 103 103 LEU H H 103 9.050 9.050 8.414 0.636 25461 6847 1 17 . 1 1 104 104 ARG N N 104 116.388 116.388 119.379 -2.991 25461 6848 1 17 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.368 0.008 25461 6849 1 17 . 1 1 104 104 ARG C C 104 176.877 176.877 177.151 -0.274 25461 6850 1 17 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.812 0.759 25461 6851 1 17 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.644 -0.166 25461 6852 1 17 . 1 1 104 104 ARG H H 104 7.888 7.888 7.680 0.208 25461 6853 1 17 . 1 1 105 105 GLY N N 105 107.432 107.432 108.102 -0.670 25461 6854 1 17 . 1 1 105 105 GLY C C 105 174.796 174.796 174.256 0.540 25461 6855 1 17 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.835 0.497 25461 6856 1 17 . 1 1 105 105 GLY H H 105 7.688 7.688 7.729 -0.041 25461 6857 1 17 . 1 1 106 106 ASP N N 106 121.505 121.505 120.563 0.942 25461 6858 1 17 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.674 -0.293 25461 6859 1 17 . 1 1 106 106 ASP C C 106 175.595 175.595 176.248 -0.653 25461 6860 1 17 . 1 1 106 106 ASP CA C 106 55.037 55.037 53.742 1.295 25461 6861 1 17 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.663 -2.092 25461 6862 1 17 . 1 1 106 106 ASP H H 106 7.878 7.878 8.122 -0.244 25461 6863 1 17 . 1 1 107 107 GLU N N 107 119.581 119.581 119.226 0.355 25461 6864 1 17 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.562 -0.180 25461 6865 1 17 . 1 1 107 107 GLU C C 107 177.123 177.123 176.177 0.946 25461 6866 1 17 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.367 0.108 25461 6867 1 17 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.509 0.013 25461 6868 1 17 . 1 1 107 107 GLU H H 107 8.394 8.394 8.533 -0.139 25461 6869 1 17 . 1 1 108 108 PHE N N 108 126.975 126.975 122.608 4.367 25461 6870 1 17 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.780 -0.158 25461 6871 1 17 . 1 1 108 108 PHE C C 108 176.186 176.186 175.221 0.965 25461 6872 1 17 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.440 -0.210 25461 6873 1 17 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.045 0.199 25461 6874 1 17 . 1 1 108 108 PHE H H 108 9.373 9.373 8.802 0.571 25461 6875 1 17 . 1 1 109 109 SER N N 109 121.198 121.198 118.838 2.360 25461 6876 1 17 . 1 1 109 109 SER HA H 109 4.582 4.582 4.789 -0.207 25461 6877 1 17 . 1 1 109 109 SER C C 109 175.060 175.060 172.927 2.133 25461 6878 1 17 . 1 1 109 109 SER CA C 109 58.928 58.928 57.378 1.550 25461 6879 1 17 . 1 1 109 109 SER CB C 109 64.213 64.213 64.953 -0.740 25461 6880 1 17 . 1 1 109 109 SER H H 109 8.694 8.694 8.550 0.144 25461 6881 1 17 . 1 1 110 110 PHE N N 110 121.734 121.734 119.201 2.533 25461 6882 1 17 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.520 -0.333 25461 6883 1 17 . 1 1 110 110 PHE C C 110 172.930 172.930 173.408 -0.478 25461 6884 1 17 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.339 2.410 25461 6885 1 17 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.509 -1.012 25461 6886 1 17 . 1 1 110 110 PHE H H 110 8.965 8.965 8.328 0.637 25461 6887 1 17 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.694 -0.345 25461 6888 1 17 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.176 -0.104 25461 6889 1 17 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.201 0.117 25461 6890 1 17 . 1 1 112 112 PRO C C 112 177.703 177.703 177.781 -0.078 25461 6891 1 17 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.879 -0.290 25461 6892 1 17 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.702 0.056 25461 6893 1 17 . 1 1 113 113 GLY N N 113 110.960 110.960 111.338 -0.378 25461 6894 1 17 . 1 1 113 113 GLY C C 113 174.074 174.074 174.811 -0.737 25461 6895 1 17 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.121 0.039 25461 6896 1 17 . 1 1 113 113 GLY H H 113 8.682 8.682 8.580 0.102 25461 6897 1 17 . 1 1 114 114 PHE N N 114 120.992 120.992 121.836 -0.844 25461 6898 1 17 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.306 0.004 25461 6899 1 17 . 1 1 114 114 PHE C C 114 174.567 174.567 176.375 -1.808 25461 6900 1 17 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.819 -0.495 25461 6901 1 17 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.747 0.402 25461 6902 1 17 . 1 1 114 114 PHE H H 114 7.771 7.771 7.958 -0.187 25461 6903 1 18 . 1 1 42 42 ALA HA H 42 4.357 4.357 5.172 -0.815 25461 6904 1 18 . 1 1 42 42 ALA C C 42 177.825 177.825 177.399 0.426 25461 6905 1 18 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.218 0.456 25461 6906 1 18 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.853 -0.401 25461 6907 1 18 . 1 1 43 43 MET N N 43 119.667 119.667 117.709 1.958 25461 6908 1 18 . 1 1 43 43 MET HA H 43 4.549 4.549 5.059 -0.510 25461 6909 1 18 . 1 1 43 43 MET C C 43 176.478 176.478 175.992 0.486 25461 6910 1 18 . 1 1 43 43 MET CA C 43 55.344 55.344 55.067 0.277 25461 6911 1 18 . 1 1 43 43 MET CB C 43 33.129 33.129 35.768 -2.639 25461 6912 1 18 . 1 1 43 43 MET H H 43 8.507 8.507 9.077 -0.570 25461 6913 1 18 . 1 1 44 44 GLY N N 44 110.244 110.244 108.867 1.377 25461 6914 1 18 . 1 1 44 44 GLY C C 44 172.009 172.009 171.983 0.026 25461 6915 1 18 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.854 -0.212 25461 6916 1 18 . 1 1 44 44 GLY H H 44 8.251 8.251 8.458 -0.207 25461 6917 1 18 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.345 0.088 25461 6918 1 18 . 1 1 45 45 PRO C C 45 177.510 177.510 175.774 1.736 25461 6919 1 18 . 1 1 45 45 PRO CA C 45 63.405 63.405 63.059 0.346 25461 6920 1 18 . 1 1 45 45 PRO CB C 45 32.106 32.106 31.620 0.486 25461 6921 1 18 . 1 1 46 46 GLN N N 46 120.607 120.607 124.186 -3.579 25461 6922 1 18 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.537 -0.191 25461 6923 1 18 . 1 1 46 46 GLN C C 46 176.687 176.687 175.953 0.734 25461 6924 1 18 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.829 0.227 25461 6925 1 18 . 1 1 46 46 GLN CB C 46 29.423 29.423 30.328 -0.905 25461 6926 1 18 . 1 1 46 46 GLN H H 46 8.628 8.628 8.237 0.391 25461 6927 1 18 . 1 1 47 47 GLY N N 47 110.011 110.011 113.852 -3.841 25461 6928 1 18 . 1 1 47 47 GLY C C 47 174.308 174.308 174.894 -0.586 25461 6929 1 18 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.559 0.875 25461 6930 1 18 . 1 1 47 47 GLY H H 47 8.411 8.411 8.796 -0.385 25461 6931 1 18 . 1 1 48 48 SER N N 48 115.646 115.646 117.701 -2.055 25461 6932 1 18 . 1 1 48 48 SER HA H 48 4.542 4.542 4.306 0.236 25461 6933 1 18 . 1 1 48 48 SER C C 48 175.288 175.288 175.066 0.222 25461 6934 1 18 . 1 1 48 48 SER CA C 48 58.437 58.437 59.727 -1.290 25461 6935 1 18 . 1 1 48 48 SER CB C 48 63.965 63.965 63.665 0.300 25461 6936 1 18 . 1 1 48 48 SER H H 48 8.284 8.284 8.059 0.225 25461 6937 1 18 . 1 1 49 49 THR N N 49 115.928 115.928 113.646 2.282 25461 6938 1 18 . 1 1 49 49 THR HA H 49 4.343 4.343 4.433 -0.090 25461 6939 1 18 . 1 1 49 49 THR C C 49 174.948 174.948 172.673 2.275 25461 6940 1 18 . 1 1 49 49 THR CA C 49 62.294 62.294 61.989 0.305 25461 6941 1 18 . 1 1 49 49 THR CB C 49 69.614 69.614 69.787 -0.173 25461 6942 1 18 . 1 1 49 49 THR H H 49 8.282 8.282 7.864 0.418 25461 6943 1 18 . 1 1 50 50 GLN N N 50 122.155 122.155 121.365 0.790 25461 6944 1 18 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.684 -0.297 25461 6945 1 18 . 1 1 50 50 GLN C C 50 176.071 176.071 173.851 2.220 25461 6946 1 18 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.282 1.108 25461 6947 1 18 . 1 1 50 50 GLN CB C 50 29.226 29.226 30.226 -1.000 25461 6948 1 18 . 1 1 50 50 GLN H H 50 8.401 8.401 8.388 0.013 25461 6949 1 18 . 1 1 51 51 ASN N N 51 119.604 119.604 117.706 1.898 25461 6950 1 18 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.876 -0.238 25461 6951 1 18 . 1 1 51 51 ASN C C 51 175.275 175.275 173.527 1.748 25461 6952 1 18 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.748 0.902 25461 6953 1 18 . 1 1 51 51 ASN CB C 51 38.857 38.857 40.116 -1.259 25461 6954 1 18 . 1 1 51 51 ASN H H 51 8.395 8.395 8.574 -0.179 25461 6955 1 18 . 1 1 52 52 ALA N N 52 124.054 124.054 123.442 0.612 25461 6956 1 18 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.660 -0.398 25461 6957 1 18 . 1 1 52 52 ALA C C 52 177.915 177.915 176.337 1.578 25461 6958 1 18 . 1 1 52 52 ALA CA C 52 53.091 53.091 51.740 1.351 25461 6959 1 18 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.620 -0.446 25461 6960 1 18 . 1 1 52 52 ALA H H 52 8.227 8.227 8.266 -0.039 25461 6961 1 18 . 1 1 53 53 LEU N N 53 120.325 120.325 121.486 -1.161 25461 6962 1 18 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.320 -0.028 25461 6963 1 18 . 1 1 53 53 LEU C C 53 177.531 177.531 177.290 0.241 25461 6964 1 18 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.816 0.627 25461 6965 1 18 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.843 -0.635 25461 6966 1 18 . 1 1 53 53 LEU H H 53 8.097 8.097 8.171 -0.074 25461 6967 1 18 . 1 1 54 54 ARG N N 54 121.409 121.409 122.423 -1.014 25461 6968 1 18 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.279 0.054 25461 6969 1 18 . 1 1 54 54 ARG C C 54 176.332 176.332 175.933 0.399 25461 6970 1 18 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.427 -0.240 25461 6971 1 18 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.149 0.587 25461 6972 1 18 . 1 1 54 54 ARG H H 54 8.155 8.155 8.402 -0.247 25461 6973 1 18 . 1 1 55 55 ARG N N 55 122.380 122.380 120.577 1.803 25461 6974 1 18 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.728 -0.310 25461 6975 1 18 . 1 1 55 55 ARG C C 55 176.563 176.563 175.649 0.914 25461 6976 1 18 . 1 1 55 55 ARG CA C 55 56.289 56.289 55.232 1.057 25461 6977 1 18 . 1 1 55 55 ARG CB C 55 30.838 30.838 31.913 -1.075 25461 6978 1 18 . 1 1 55 55 ARG H H 55 8.389 8.389 8.558 -0.169 25461 6979 1 18 . 1 1 56 56 THR N N 56 114.693 114.693 115.390 -0.697 25461 6980 1 18 . 1 1 56 56 THR HA H 56 4.372 4.372 4.465 -0.093 25461 6981 1 18 . 1 1 56 56 THR C C 56 175.062 175.062 175.812 -0.750 25461 6982 1 18 . 1 1 56 56 THR CA C 56 61.926 61.926 62.708 -0.782 25461 6983 1 18 . 1 1 56 56 THR CB C 56 70.016 70.016 69.449 0.567 25461 6984 1 18 . 1 1 56 56 THR H H 56 8.204 8.204 8.343 -0.139 25461 6985 1 18 . 1 1 57 57 GLY N N 57 111.042 111.042 111.676 -0.634 25461 6986 1 18 . 1 1 57 57 GLY C C 57 173.868 173.868 174.179 -0.311 25461 6987 1 18 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.605 -0.314 25461 6988 1 18 . 1 1 57 57 GLY H H 57 8.424 8.424 8.148 0.276 25461 6989 1 18 . 1 1 58 58 ARG N N 58 120.824 120.824 114.322 6.502 25461 6990 1 18 . 1 1 58 58 ARG HA H 58 4.386 4.386 3.954 0.432 25461 6991 1 18 . 1 1 58 58 ARG C C 58 176.522 176.522 175.345 1.177 25461 6992 1 18 . 1 1 58 58 ARG CA C 58 56.111 56.111 56.580 -0.468 25461 6993 1 18 . 1 1 58 58 ARG CB C 58 31.074 31.074 28.027 3.047 25461 6994 1 18 . 1 1 58 58 ARG H H 58 8.232 8.232 8.511 -0.279 25461 6995 1 18 . 1 1 59 59 VAL N N 59 121.437 121.437 121.196 0.241 25461 6996 1 18 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.102 0.018 25461 6997 1 18 . 1 1 59 59 VAL C C 59 176.022 176.022 175.258 0.764 25461 6998 1 18 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.442 -0.029 25461 6999 1 18 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.548 0.267 25461 7000 1 18 . 1 1 59 59 VAL H H 59 8.307 8.307 7.670 0.637 25461 7001 1 18 . 1 1 60 60 ASN N N 60 122.487 122.487 123.539 -1.052 25461 7002 1 18 . 1 1 60 60 ASN HA H 60 4.737 4.737 5.123 -0.386 25461 7003 1 18 . 1 1 60 60 ASN C C 60 175.521 175.521 174.177 1.344 25461 7004 1 18 . 1 1 60 60 ASN CA C 60 53.375 53.375 52.824 0.551 25461 7005 1 18 . 1 1 60 60 ASN CB C 60 39.098 39.098 42.084 -2.986 25461 7006 1 18 . 1 1 60 60 ASN H H 60 8.593 8.593 8.431 0.162 25461 7007 1 18 . 1 1 61 61 GLY N N 61 109.681 109.681 107.113 2.568 25461 7008 1 18 . 1 1 61 61 GLY C C 61 174.361 174.361 173.579 0.782 25461 7009 1 18 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.475 0.024 25461 7010 1 18 . 1 1 61 61 GLY H H 61 8.407 8.407 8.527 -0.120 25461 7011 1 18 . 1 1 62 62 GLY N N 62 108.197 108.197 114.857 -6.660 25461 7012 1 18 . 1 1 62 62 GLY C C 62 173.866 173.866 172.940 0.926 25461 7013 1 18 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.797 0.315 25461 7014 1 18 . 1 1 62 62 GLY H H 62 8.209 8.209 8.263 -0.054 25461 7015 1 18 . 1 1 63 63 HIS N N 63 121.370 121.370 121.155 0.215 25461 7016 1 18 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.932 -0.133 25461 7017 1 18 . 1 1 63 63 HIS C C 63 173.562 173.562 173.384 0.178 25461 7018 1 18 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.178 0.668 25461 7019 1 18 . 1 1 63 63 HIS CB C 63 30.172 30.172 32.459 -2.287 25461 7020 1 18 . 1 1 63 63 HIS H H 63 8.587 8.587 8.057 0.530 25461 7021 1 18 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.488 -0.027 25461 7022 1 18 . 1 1 64 64 PRO C C 64 176.406 176.406 176.150 0.256 25461 7023 1 18 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.109 -0.021 25461 7024 1 18 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.985 0.018 25461 7025 1 18 . 1 1 65 65 VAL N N 65 122.214 122.214 116.184 6.030 25461 7026 1 18 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.801 -0.447 25461 7027 1 18 . 1 1 65 65 VAL C C 65 176.217 176.217 175.400 0.817 25461 7028 1 18 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.143 3.090 25461 7029 1 18 . 1 1 65 65 VAL CB C 65 34.354 34.354 35.049 -0.695 25461 7030 1 18 . 1 1 65 65 VAL H H 65 8.436 8.436 8.015 0.421 25461 7031 1 18 . 1 1 66 66 THR N N 66 118.215 118.215 113.842 4.373 25461 7032 1 18 . 1 1 66 66 THR HA H 66 4.844 4.844 4.744 0.100 25461 7033 1 18 . 1 1 66 66 THR C C 66 175.632 175.632 174.671 0.961 25461 7034 1 18 . 1 1 66 66 THR CA C 66 59.250 59.250 59.588 -0.338 25461 7035 1 18 . 1 1 66 66 THR CB C 66 71.632 71.632 71.217 0.415 25461 7036 1 18 . 1 1 66 66 THR H H 66 7.765 7.765 8.121 -0.356 25461 7037 1 18 . 1 1 67 67 THR N N 67 116.809 116.809 117.553 -0.744 25461 7038 1 18 . 1 1 67 67 THR HA H 67 3.846 3.846 3.915 -0.069 25461 7039 1 18 . 1 1 67 67 THR C C 67 176.323 176.323 176.355 -0.032 25461 7040 1 18 . 1 1 67 67 THR CA C 67 66.206 66.206 65.975 0.231 25461 7041 1 18 . 1 1 67 67 THR CB C 67 68.417 68.417 68.378 0.039 25461 7042 1 18 . 1 1 67 67 THR H H 67 8.901 8.901 8.571 0.330 25461 7043 1 18 . 1 1 68 68 GLN N N 68 120.255 120.255 120.037 0.218 25461 7044 1 18 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.035 0.048 25461 7045 1 18 . 1 1 68 68 GLN C C 68 179.056 179.056 178.126 0.930 25461 7046 1 18 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.691 0.963 25461 7047 1 18 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.768 0.163 25461 7048 1 18 . 1 1 68 68 GLN H H 68 8.290 8.290 8.830 -0.540 25461 7049 1 18 . 1 1 69 69 MET N N 69 120.434 120.434 118.995 1.439 25461 7050 1 18 . 1 1 69 69 MET HA H 69 3.918 3.918 4.191 -0.273 25461 7051 1 18 . 1 1 69 69 MET C C 69 177.390 177.390 178.473 -1.083 25461 7052 1 18 . 1 1 69 69 MET CA C 69 59.757 59.757 58.950 0.807 25461 7053 1 18 . 1 1 69 69 MET CB C 69 35.178 35.178 32.556 2.622 25461 7054 1 18 . 1 1 69 69 MET H H 69 7.718 7.718 7.858 -0.140 25461 7055 1 18 . 1 1 70 70 VAL N N 70 118.137 118.137 119.406 -1.269 25461 7056 1 18 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.469 -0.135 25461 7057 1 18 . 1 1 70 70 VAL C C 70 177.985 177.985 177.975 0.010 25461 7058 1 18 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.635 -0.261 25461 7059 1 18 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.278 0.411 25461 7060 1 18 . 1 1 70 70 VAL H H 70 7.322 7.322 7.350 -0.028 25461 7061 1 18 . 1 1 71 71 GLU N N 71 118.717 118.717 118.832 -0.115 25461 7062 1 18 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.951 -0.019 25461 7063 1 18 . 1 1 71 71 GLU C C 71 178.984 178.984 179.009 -0.025 25461 7064 1 18 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.413 -0.085 25461 7065 1 18 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.899 0.683 25461 7066 1 18 . 1 1 71 71 GLU H H 71 8.446 8.446 8.146 0.300 25461 7067 1 18 . 1 1 72 72 THR N N 72 116.413 116.413 117.841 -1.428 25461 7068 1 18 . 1 1 72 72 THR HA H 72 3.885 3.885 3.916 -0.031 25461 7069 1 18 . 1 1 72 72 THR C C 72 176.837 176.837 176.629 0.208 25461 7070 1 18 . 1 1 72 72 THR CA C 72 66.924 66.924 66.847 0.077 25461 7071 1 18 . 1 1 72 72 THR CB C 72 68.594 68.594 68.417 0.177 25461 7072 1 18 . 1 1 72 72 THR H H 72 8.055 8.055 8.366 -0.311 25461 7073 1 18 . 1 1 73 73 VAL N N 73 119.440 119.440 121.250 -1.810 25461 7074 1 18 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.520 -0.159 25461 7075 1 18 . 1 1 73 73 VAL C C 73 177.119 177.119 177.686 -0.567 25461 7076 1 18 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.356 -0.883 25461 7077 1 18 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.304 -0.391 25461 7078 1 18 . 1 1 73 73 VAL H H 73 7.521 7.521 7.776 -0.255 25461 7079 1 18 . 1 1 74 74 GLN N N 74 120.105 120.105 118.968 1.137 25461 7080 1 18 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.938 -0.297 25461 7081 1 18 . 1 1 74 74 GLN C C 74 177.761 177.761 178.189 -0.428 25461 7082 1 18 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.589 0.135 25461 7083 1 18 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.286 1.011 25461 7084 1 18 . 1 1 74 74 GLN H H 74 8.884 8.884 8.367 0.517 25461 7085 1 18 . 1 1 75 75 ASN N N 75 113.460 113.460 117.903 -4.443 25461 7086 1 18 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.430 -0.068 25461 7087 1 18 . 1 1 75 75 ASN C C 75 176.122 176.122 177.632 -1.510 25461 7088 1 18 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.730 -0.239 25461 7089 1 18 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.438 0.534 25461 7090 1 18 . 1 1 75 75 ASN H H 75 7.472 7.472 8.267 -0.795 25461 7091 1 18 . 1 1 76 76 LEU N N 76 118.225 118.225 117.793 0.432 25461 7092 1 18 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.317 -0.010 25461 7093 1 18 . 1 1 76 76 LEU C C 76 175.358 175.358 176.970 -1.612 25461 7094 1 18 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.366 -0.988 25461 7095 1 18 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.405 1.031 25461 7096 1 18 . 1 1 76 76 LEU H H 76 7.130 7.130 7.734 -0.604 25461 7097 1 18 . 1 1 77 77 ALA N N 77 122.753 122.753 119.154 3.599 25461 7098 1 18 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.491 -0.045 25461 7099 1 18 . 1 1 77 77 ALA C C 77 173.976 173.976 175.478 -1.502 25461 7100 1 18 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.637 0.785 25461 7101 1 18 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.470 -1.087 25461 7102 1 18 . 1 1 77 77 ALA H H 77 7.784 7.784 7.699 0.085 25461 7103 1 18 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.403 -0.017 25461 7104 1 18 . 1 1 78 78 PRO C C 78 177.311 177.311 177.077 0.234 25461 7105 1 18 . 1 1 78 78 PRO CA C 78 64.598 64.598 64.238 0.360 25461 7106 1 18 . 1 1 78 78 PRO CB C 78 32.141 32.141 32.030 0.111 25461 7107 1 18 . 1 1 79 79 ASN N N 79 111.571 111.571 114.957 -3.386 25461 7108 1 18 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.637 0.117 25461 7109 1 18 . 1 1 79 79 ASN C C 79 175.765 175.765 175.779 -0.014 25461 7110 1 18 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.517 -0.355 25461 7111 1 18 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.146 -1.264 25461 7112 1 18 . 1 1 79 79 ASN H H 79 7.868 7.868 8.349 -0.481 25461 7113 1 18 . 1 1 80 80 LEU N N 80 119.219 119.219 119.287 -0.068 25461 7114 1 18 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.112 0.256 25461 7115 1 18 . 1 1 80 80 LEU C C 80 175.715 175.715 175.969 -0.254 25461 7116 1 18 . 1 1 80 80 LEU CA C 80 53.849 53.849 54.309 -0.460 25461 7117 1 18 . 1 1 80 80 LEU CB C 80 43.172 43.172 42.621 0.551 25461 7118 1 18 . 1 1 80 80 LEU H H 80 7.176 7.176 7.274 -0.098 25461 7119 1 18 . 1 1 81 81 HIS N N 81 123.894 123.894 121.732 2.162 25461 7120 1 18 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.721 0.021 25461 7121 1 18 . 1 1 81 81 HIS C C 81 176.185 176.185 174.793 1.392 25461 7122 1 18 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.083 0.409 25461 7123 1 18 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.495 0.681 25461 7124 1 18 . 1 1 81 81 HIS H H 81 9.023 9.023 8.125 0.898 25461 7125 1 18 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.201 -0.188 25461 7126 1 18 . 1 1 82 82 PRO C C 82 178.774 178.774 178.432 0.342 25461 7127 1 18 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.450 0.945 25461 7128 1 18 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.123 -0.088 25461 7129 1 18 . 1 1 83 83 GLU N N 83 120.128 120.128 119.001 1.127 25461 7130 1 18 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.219 0.191 25461 7131 1 18 . 1 1 83 83 GLU C C 83 181.651 181.651 178.958 2.693 25461 7132 1 18 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.114 0.115 25461 7133 1 18 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.467 -0.171 25461 7134 1 18 . 1 1 83 83 GLU H H 83 11.938 11.938 8.238 3.700 25461 7135 1 18 . 1 1 84 84 GLN N N 84 117.052 117.052 119.229 -2.177 25461 7136 1 18 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.875 0.106 25461 7137 1 18 . 1 1 84 84 GLN C C 84 179.958 179.958 178.863 1.095 25461 7138 1 18 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.500 0.450 25461 7139 1 18 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.430 2.240 25461 7140 1 18 . 1 1 84 84 GLN H H 84 7.467 7.467 7.544 -0.077 25461 7141 1 18 . 1 1 85 85 ILE N N 85 120.448 120.448 121.787 -1.339 25461 7142 1 18 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.712 -0.379 25461 7143 1 18 . 1 1 85 85 ILE C C 85 176.960 176.960 177.903 -0.943 25461 7144 1 18 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.391 1.137 25461 7145 1 18 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.663 0.149 25461 7146 1 18 . 1 1 85 85 ILE H H 85 7.750 7.750 7.730 0.020 25461 7147 1 18 . 1 1 86 86 ARG N N 86 119.593 119.593 119.339 0.254 25461 7148 1 18 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.906 -0.183 25461 7149 1 18 . 1 1 86 86 ARG C C 86 177.115 177.115 178.369 -1.254 25461 7150 1 18 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.356 1.463 25461 7151 1 18 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.693 0.533 25461 7152 1 18 . 1 1 86 86 ARG H H 86 8.868 8.868 7.629 1.239 25461 7153 1 18 . 1 1 87 87 TYR N N 87 116.869 116.869 120.717 -3.848 25461 7154 1 18 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.223 0.277 25461 7155 1 18 . 1 1 87 87 TYR C C 87 177.597 177.597 177.865 -0.268 25461 7156 1 18 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.727 -0.604 25461 7157 1 18 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.321 0.114 25461 7158 1 18 . 1 1 87 87 TYR H H 87 7.684 7.684 7.846 -0.162 25461 7159 1 18 . 1 1 88 88 SER N N 88 110.655 110.655 115.814 -5.159 25461 7160 1 18 . 1 1 88 88 SER HA H 88 4.155 4.155 3.875 0.280 25461 7161 1 18 . 1 1 88 88 SER C C 88 177.666 177.666 176.834 0.832 25461 7162 1 18 . 1 1 88 88 SER CA C 88 61.207 61.207 62.094 -0.887 25461 7163 1 18 . 1 1 88 88 SER CB C 88 62.880 62.880 62.875 0.005 25461 7164 1 18 . 1 1 88 88 SER H H 88 7.510 7.510 8.506 -0.996 25461 7165 1 18 . 1 1 89 89 LEU N N 89 119.356 119.356 123.433 -4.077 25461 7166 1 18 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.134 0.059 25461 7167 1 18 . 1 1 89 89 LEU C C 89 180.057 180.057 179.948 0.109 25461 7168 1 18 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.818 -0.441 25461 7169 1 18 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.512 1.833 25461 7170 1 18 . 1 1 89 89 LEU H H 89 8.522 8.522 8.803 -0.281 25461 7171 1 18 . 1 1 90 90 GLU N N 90 120.190 120.190 119.293 0.897 25461 7172 1 18 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.273 -0.157 25461 7173 1 18 . 1 1 90 90 GLU C C 90 177.812 177.812 179.264 -1.452 25461 7174 1 18 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.520 -0.478 25461 7175 1 18 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.278 0.714 25461 7176 1 18 . 1 1 90 90 GLU H H 90 8.511 8.511 7.966 0.545 25461 7177 1 18 . 1 1 91 91 ASN N N 91 115.736 115.736 118.224 -2.488 25461 7178 1 18 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.489 0.197 25461 7179 1 18 . 1 1 91 91 ASN C C 91 177.109 177.109 178.015 -0.906 25461 7180 1 18 . 1 1 91 91 ASN CA C 91 55.690 55.690 56.179 -0.489 25461 7181 1 18 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.748 1.738 25461 7182 1 18 . 1 1 91 91 ASN H H 91 7.465 7.465 7.853 -0.388 25461 7183 1 18 . 1 1 92 92 THR N N 92 110.330 110.330 110.862 -0.532 25461 7184 1 18 . 1 1 92 92 THR HA H 92 4.142 4.142 4.138 0.004 25461 7185 1 18 . 1 1 92 92 THR C C 92 176.599 176.599 175.944 0.655 25461 7186 1 18 . 1 1 92 92 THR CA C 92 62.581 62.581 64.213 -1.632 25461 7187 1 18 . 1 1 92 92 THR CB C 92 70.198 70.198 69.279 0.919 25461 7188 1 18 . 1 1 92 92 THR H H 92 9.251 9.251 8.208 1.043 25461 7189 1 18 . 1 1 93 93 GLY N N 93 112.211 112.211 110.503 1.708 25461 7190 1 18 . 1 1 93 93 GLY C C 93 174.132 174.132 173.724 0.408 25461 7191 1 18 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.264 0.407 25461 7192 1 18 . 1 1 93 93 GLY H H 93 8.682 8.682 8.277 0.405 25461 7193 1 18 . 1 1 94 94 SER N N 94 111.808 111.808 115.199 -3.391 25461 7194 1 18 . 1 1 94 94 SER HA H 94 4.784 4.784 4.719 0.065 25461 7195 1 18 . 1 1 94 94 SER C C 94 173.862 173.862 174.337 -0.475 25461 7196 1 18 . 1 1 94 94 SER CA C 94 56.221 56.221 56.503 -0.282 25461 7197 1 18 . 1 1 94 94 SER CB C 94 64.454 64.454 66.507 -2.053 25461 7198 1 18 . 1 1 94 94 SER H H 94 8.058 8.058 7.146 0.912 25461 7199 1 18 . 1 1 95 95 VAL N N 95 129.818 129.818 126.069 3.749 25461 7200 1 18 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.676 -0.319 25461 7201 1 18 . 1 1 95 95 VAL C C 95 176.909 176.909 177.629 -0.720 25461 7202 1 18 . 1 1 95 95 VAL CA C 95 66.806 66.806 66.497 0.309 25461 7203 1 18 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.665 0.654 25461 7204 1 18 . 1 1 95 95 VAL H H 95 8.983 8.983 8.941 0.042 25461 7205 1 18 . 1 1 96 96 GLU N N 96 117.745 117.745 119.545 -1.800 25461 7206 1 18 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.933 -0.109 25461 7207 1 18 . 1 1 96 96 GLU C C 96 179.126 179.126 178.339 0.787 25461 7208 1 18 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.741 1.084 25461 7209 1 18 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.630 0.379 25461 7210 1 18 . 1 1 96 96 GLU H H 96 8.673 8.673 8.765 -0.092 25461 7211 1 18 . 1 1 97 97 GLU N N 97 120.049 120.049 119.739 0.310 25461 7212 1 18 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.282 -0.136 25461 7213 1 18 . 1 1 97 97 GLU C C 97 178.947 178.947 178.985 -0.038 25461 7214 1 18 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.057 -0.116 25461 7215 1 18 . 1 1 97 97 GLU CB C 97 29.744 29.744 29.035 0.709 25461 7216 1 18 . 1 1 97 97 GLU H H 97 8.125 8.125 8.471 -0.346 25461 7217 1 18 . 1 1 98 98 THR N N 98 118.623 118.623 117.107 1.516 25461 7218 1 18 . 1 1 98 98 THR HA H 98 3.805 3.805 4.082 -0.277 25461 7219 1 18 . 1 1 98 98 THR C C 98 175.676 175.676 176.900 -1.224 25461 7220 1 18 . 1 1 98 98 THR CA C 98 70.162 70.162 67.557 2.605 25461 7221 1 18 . 1 1 98 98 THR CB C 98 69.317 69.317 68.592 0.725 25461 7222 1 18 . 1 1 98 98 THR H H 98 8.038 8.038 7.706 0.332 25461 7223 1 18 . 1 1 99 99 VAL N N 99 120.683 120.683 120.593 0.090 25461 7224 1 18 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.854 -0.313 25461 7225 1 18 . 1 1 99 99 VAL C C 99 177.456 177.456 177.810 -0.354 25461 7226 1 18 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.086 1.838 25461 7227 1 18 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.848 0.718 25461 7228 1 18 . 1 1 99 99 VAL H H 99 8.724 8.724 8.650 0.074 25461 7229 1 18 . 1 1 100 100 GLU N N 100 120.914 120.914 120.107 0.807 25461 7230 1 18 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.058 -0.044 25461 7231 1 18 . 1 1 100 100 GLU C C 100 179.857 179.857 179.364 0.493 25461 7232 1 18 . 1 1 100 100 GLU CA C 100 60.220 60.220 60.199 0.021 25461 7233 1 18 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.459 -0.251 25461 7234 1 18 . 1 1 100 100 GLU H H 100 8.324 8.324 8.152 0.172 25461 7235 1 18 . 1 1 101 101 ARG N N 101 118.451 118.451 118.549 -0.098 25461 7236 1 18 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.150 -0.277 25461 7237 1 18 . 1 1 101 101 ARG C C 101 178.078 178.078 178.307 -0.229 25461 7238 1 18 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.934 1.044 25461 7239 1 18 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.826 0.120 25461 7240 1 18 . 1 1 101 101 ARG H H 101 8.197 8.197 8.485 -0.288 25461 7241 1 18 . 1 1 102 102 TYR N N 102 119.888 119.888 123.804 -3.916 25461 7242 1 18 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.444 0.031 25461 7243 1 18 . 1 1 102 102 TYR C C 102 180.056 180.056 178.059 1.997 25461 7244 1 18 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.117 0.409 25461 7245 1 18 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.430 -0.914 25461 7246 1 18 . 1 1 102 102 TYR H H 102 8.180 8.180 8.179 0.001 25461 7247 1 18 . 1 1 103 103 LEU N N 103 122.091 122.091 118.589 3.502 25461 7248 1 18 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.549 0.282 25461 7249 1 18 . 1 1 103 103 LEU C C 103 178.973 178.973 178.090 0.883 25461 7250 1 18 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.170 0.255 25461 7251 1 18 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.342 0.280 25461 7252 1 18 . 1 1 103 103 LEU H H 103 9.050 9.050 8.160 0.890 25461 7253 1 18 . 1 1 104 104 ARG N N 104 116.388 116.388 119.292 -2.904 25461 7254 1 18 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.314 0.062 25461 7255 1 18 . 1 1 104 104 ARG C C 104 176.877 176.877 177.099 -0.222 25461 7256 1 18 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.181 0.391 25461 7257 1 18 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.708 -0.230 25461 7258 1 18 . 1 1 104 104 ARG H H 104 7.888 7.888 7.686 0.202 25461 7259 1 18 . 1 1 105 105 GLY N N 105 107.432 107.432 109.564 -2.132 25461 7260 1 18 . 1 1 105 105 GLY C C 105 174.796 174.796 174.290 0.506 25461 7261 1 18 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.065 0.267 25461 7262 1 18 . 1 1 105 105 GLY H H 105 7.688 7.688 7.870 -0.182 25461 7263 1 18 . 1 1 106 106 ASP N N 106 121.505 121.505 121.000 0.505 25461 7264 1 18 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.675 -0.294 25461 7265 1 18 . 1 1 106 106 ASP C C 106 175.595 175.595 176.481 -0.886 25461 7266 1 18 . 1 1 106 106 ASP CA C 106 55.037 55.037 53.724 1.313 25461 7267 1 18 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.359 -1.788 25461 7268 1 18 . 1 1 106 106 ASP H H 106 7.878 7.878 8.180 -0.302 25461 7269 1 18 . 1 1 107 107 GLU N N 107 119.581 119.581 118.567 1.014 25461 7270 1 18 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.432 -0.050 25461 7271 1 18 . 1 1 107 107 GLU C C 107 177.123 177.123 175.306 1.817 25461 7272 1 18 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.711 -0.236 25461 7273 1 18 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.041 0.481 25461 7274 1 18 . 1 1 107 107 GLU H H 107 8.394 8.394 8.342 0.052 25461 7275 1 18 . 1 1 108 108 PHE N N 108 126.975 126.975 122.815 4.160 25461 7276 1 18 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.737 -0.115 25461 7277 1 18 . 1 1 108 108 PHE C C 108 176.186 176.186 174.959 1.227 25461 7278 1 18 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.334 -0.104 25461 7279 1 18 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.571 -0.327 25461 7280 1 18 . 1 1 108 108 PHE H H 108 9.373 9.373 8.654 0.719 25461 7281 1 18 . 1 1 109 109 SER N N 109 121.198 121.198 118.998 2.200 25461 7282 1 18 . 1 1 109 109 SER HA H 109 4.582 4.582 4.757 -0.175 25461 7283 1 18 . 1 1 109 109 SER C C 109 175.060 175.060 173.343 1.717 25461 7284 1 18 . 1 1 109 109 SER CA C 109 58.928 58.928 57.538 1.390 25461 7285 1 18 . 1 1 109 109 SER CB C 109 64.213 64.213 64.470 -0.257 25461 7286 1 18 . 1 1 109 109 SER H H 109 8.694 8.694 8.479 0.215 25461 7287 1 18 . 1 1 110 110 PHE N N 110 121.734 121.734 119.095 2.639 25461 7288 1 18 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.472 -0.285 25461 7289 1 18 . 1 1 110 110 PHE C C 110 172.930 172.930 173.763 -0.833 25461 7290 1 18 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.395 2.354 25461 7291 1 18 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.721 -1.224 25461 7292 1 18 . 1 1 110 110 PHE H H 110 8.965 8.965 8.286 0.679 25461 7293 1 18 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.711 -0.362 25461 7294 1 18 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.107 -0.035 25461 7295 1 18 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.293 0.025 25461 7296 1 18 . 1 1 112 112 PRO C C 112 177.703 177.703 177.774 -0.071 25461 7297 1 18 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.676 -0.087 25461 7298 1 18 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.269 0.489 25461 7299 1 18 . 1 1 113 113 GLY N N 113 110.960 110.960 111.558 -0.598 25461 7300 1 18 . 1 1 113 113 GLY C C 113 174.074 174.074 174.852 -0.778 25461 7301 1 18 . 1 1 113 113 GLY CA C 113 45.160 45.160 44.937 0.223 25461 7302 1 18 . 1 1 113 113 GLY H H 113 8.682 8.682 8.690 -0.008 25461 7303 1 18 . 1 1 114 114 PHE N N 114 120.992 120.992 121.145 -0.153 25461 7304 1 18 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.427 -0.117 25461 7305 1 18 . 1 1 114 114 PHE C C 114 174.567 174.567 176.066 -1.499 25461 7306 1 18 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.427 -0.103 25461 7307 1 18 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.899 0.250 25461 7308 1 18 . 1 1 114 114 PHE H H 114 7.771 7.771 7.982 -0.211 25461 7309 1 19 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.893 -0.536 25461 7310 1 19 . 1 1 42 42 ALA C C 42 177.825 177.825 178.006 -0.181 25461 7311 1 19 . 1 1 42 42 ALA CA C 42 52.674 52.674 53.038 -0.364 25461 7312 1 19 . 1 1 42 42 ALA CB C 42 19.452 19.452 20.327 -0.875 25461 7313 1 19 . 1 1 43 43 MET N N 43 119.667 119.667 119.105 0.562 25461 7314 1 19 . 1 1 43 43 MET HA H 43 4.549 4.549 4.831 -0.282 25461 7315 1 19 . 1 1 43 43 MET C C 43 176.478 176.478 176.411 0.067 25461 7316 1 19 . 1 1 43 43 MET CA C 43 55.344 55.344 57.341 -1.997 25461 7317 1 19 . 1 1 43 43 MET CB C 43 33.129 33.129 34.102 -0.973 25461 7318 1 19 . 1 1 43 43 MET H H 43 8.507 8.507 8.905 -0.398 25461 7319 1 19 . 1 1 44 44 GLY N N 44 110.244 110.244 109.630 0.614 25461 7320 1 19 . 1 1 44 44 GLY C C 44 172.009 172.009 172.740 -0.731 25461 7321 1 19 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.744 -0.102 25461 7322 1 19 . 1 1 44 44 GLY H H 44 8.251 8.251 8.256 -0.005 25461 7323 1 19 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.409 0.024 25461 7324 1 19 . 1 1 45 45 PRO C C 45 177.510 177.510 176.523 0.987 25461 7325 1 19 . 1 1 45 45 PRO CA C 45 63.405 63.405 63.448 -0.043 25461 7326 1 19 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.257 -0.151 25461 7327 1 19 . 1 1 46 46 GLN N N 46 120.607 120.607 117.585 3.022 25461 7328 1 19 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.402 -0.056 25461 7329 1 19 . 1 1 46 46 GLN C C 46 176.687 176.687 173.995 2.692 25461 7330 1 19 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.246 0.810 25461 7331 1 19 . 1 1 46 46 GLN CB C 46 29.423 29.423 30.032 -0.609 25461 7332 1 19 . 1 1 46 46 GLN H H 46 8.628 8.628 7.594 1.034 25461 7333 1 19 . 1 1 47 47 GLY N N 47 110.011 110.011 108.591 1.420 25461 7334 1 19 . 1 1 47 47 GLY C C 47 174.308 174.308 173.351 0.957 25461 7335 1 19 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.718 0.716 25461 7336 1 19 . 1 1 47 47 GLY H H 47 8.411 8.411 8.205 0.206 25461 7337 1 19 . 1 1 48 48 SER N N 48 115.646 115.646 117.225 -1.579 25461 7338 1 19 . 1 1 48 48 SER HA H 48 4.542 4.542 4.921 -0.379 25461 7339 1 19 . 1 1 48 48 SER C C 48 175.288 175.288 173.853 1.435 25461 7340 1 19 . 1 1 48 48 SER CA C 48 58.437 58.437 57.927 0.510 25461 7341 1 19 . 1 1 48 48 SER CB C 48 63.965 63.965 65.967 -2.002 25461 7342 1 19 . 1 1 48 48 SER H H 48 8.284 8.284 8.347 -0.063 25461 7343 1 19 . 1 1 49 49 THR N N 49 115.928 115.928 116.736 -0.808 25461 7344 1 19 . 1 1 49 49 THR HA H 49 4.343 4.343 4.452 -0.109 25461 7345 1 19 . 1 1 49 49 THR C C 49 174.948 174.948 174.006 0.942 25461 7346 1 19 . 1 1 49 49 THR CA C 49 62.294 62.294 61.852 0.441 25461 7347 1 19 . 1 1 49 49 THR CB C 49 69.614 69.614 69.426 0.188 25461 7348 1 19 . 1 1 49 49 THR H H 49 8.282 8.282 8.151 0.131 25461 7349 1 19 . 1 1 50 50 GLN N N 50 122.155 122.155 122.468 -0.313 25461 7350 1 19 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.623 -0.236 25461 7351 1 19 . 1 1 50 50 GLN C C 50 176.071 176.071 174.669 1.402 25461 7352 1 19 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.279 1.111 25461 7353 1 19 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.736 -0.510 25461 7354 1 19 . 1 1 50 50 GLN H H 50 8.401 8.401 8.561 -0.160 25461 7355 1 19 . 1 1 51 51 ASN N N 51 119.604 119.604 118.529 1.075 25461 7356 1 19 . 1 1 51 51 ASN HA H 51 4.638 4.638 5.092 -0.454 25461 7357 1 19 . 1 1 51 51 ASN C C 51 175.275 175.275 174.477 0.798 25461 7358 1 19 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.545 1.105 25461 7359 1 19 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.870 -1.013 25461 7360 1 19 . 1 1 51 51 ASN H H 51 8.395 8.395 8.520 -0.125 25461 7361 1 19 . 1 1 52 52 ALA N N 52 124.054 124.054 122.950 1.104 25461 7362 1 19 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.353 -0.091 25461 7363 1 19 . 1 1 52 52 ALA C C 52 177.915 177.915 176.334 1.581 25461 7364 1 19 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.120 0.971 25461 7365 1 19 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.670 -0.496 25461 7366 1 19 . 1 1 52 52 ALA H H 52 8.227 8.227 8.503 -0.276 25461 7367 1 19 . 1 1 53 53 LEU N N 53 120.325 120.325 121.206 -0.881 25461 7368 1 19 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.605 -0.313 25461 7369 1 19 . 1 1 53 53 LEU C C 53 177.531 177.531 176.919 0.612 25461 7370 1 19 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.369 1.074 25461 7371 1 19 . 1 1 53 53 LEU CB C 53 42.207 42.207 44.734 -2.527 25461 7372 1 19 . 1 1 53 53 LEU H H 53 8.097 8.097 8.149 -0.052 25461 7373 1 19 . 1 1 54 54 ARG N N 54 121.409 121.409 122.486 -1.077 25461 7374 1 19 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.329 0.004 25461 7375 1 19 . 1 1 54 54 ARG C C 54 176.332 176.332 175.670 0.662 25461 7376 1 19 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.067 0.120 25461 7377 1 19 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.831 -0.095 25461 7378 1 19 . 1 1 54 54 ARG H H 54 8.155 8.155 8.338 -0.183 25461 7379 1 19 . 1 1 55 55 ARG N N 55 122.380 122.380 121.712 0.668 25461 7380 1 19 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.272 0.145 25461 7381 1 19 . 1 1 55 55 ARG C C 55 176.563 176.563 176.166 0.397 25461 7382 1 19 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.855 -0.566 25461 7383 1 19 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.692 0.146 25461 7384 1 19 . 1 1 55 55 ARG H H 55 8.389 8.389 8.502 -0.113 25461 7385 1 19 . 1 1 56 56 THR N N 56 114.693 114.693 118.608 -3.915 25461 7386 1 19 . 1 1 56 56 THR HA H 56 4.372 4.372 4.436 -0.064 25461 7387 1 19 . 1 1 56 56 THR C C 56 175.062 175.062 174.526 0.536 25461 7388 1 19 . 1 1 56 56 THR CA C 56 61.926 61.926 61.987 -0.062 25461 7389 1 19 . 1 1 56 56 THR CB C 56 70.016 70.016 69.647 0.369 25461 7390 1 19 . 1 1 56 56 THR H H 56 8.204 8.204 8.578 -0.374 25461 7391 1 19 . 1 1 57 57 GLY N N 57 111.042 111.042 110.447 0.595 25461 7392 1 19 . 1 1 57 57 GLY C C 57 173.868 173.868 174.248 -0.380 25461 7393 1 19 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.621 0.670 25461 7394 1 19 . 1 1 57 57 GLY H H 57 8.424 8.424 8.227 0.197 25461 7395 1 19 . 1 1 58 58 ARG N N 58 120.824 120.824 121.223 -0.399 25461 7396 1 19 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.279 0.107 25461 7397 1 19 . 1 1 58 58 ARG C C 58 176.522 176.522 177.955 -1.433 25461 7398 1 19 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.960 0.151 25461 7399 1 19 . 1 1 58 58 ARG CB C 58 31.074 31.074 31.184 -0.110 25461 7400 1 19 . 1 1 58 58 ARG H H 58 8.232 8.232 8.411 -0.179 25461 7401 1 19 . 1 1 59 59 VAL N N 59 121.437 121.437 120.086 1.351 25461 7402 1 19 . 1 1 59 59 VAL HA H 59 4.120 4.120 3.833 0.287 25461 7403 1 19 . 1 1 59 59 VAL C C 59 176.022 176.022 175.453 0.569 25461 7404 1 19 . 1 1 59 59 VAL CA C 59 62.413 62.413 63.770 -1.357 25461 7405 1 19 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.011 0.804 25461 7406 1 19 . 1 1 59 59 VAL H H 59 8.307 8.307 8.476 -0.169 25461 7407 1 19 . 1 1 60 60 ASN N N 60 122.487 122.487 118.563 3.924 25461 7408 1 19 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.780 -0.043 25461 7409 1 19 . 1 1 60 60 ASN C C 60 175.521 175.521 175.968 -0.447 25461 7410 1 19 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.277 0.098 25461 7411 1 19 . 1 1 60 60 ASN CB C 60 39.098 39.098 38.787 0.311 25461 7412 1 19 . 1 1 60 60 ASN H H 60 8.593 8.593 7.760 0.833 25461 7413 1 19 . 1 1 61 61 GLY N N 61 109.681 109.681 109.706 -0.025 25461 7414 1 19 . 1 1 61 61 GLY C C 61 174.361 174.361 174.514 -0.153 25461 7415 1 19 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.913 -0.414 25461 7416 1 19 . 1 1 61 61 GLY H H 61 8.407 8.407 8.666 -0.259 25461 7417 1 19 . 1 1 62 62 GLY N N 62 108.197 108.197 106.819 1.378 25461 7418 1 19 . 1 1 62 62 GLY C C 62 173.866 173.866 173.232 0.634 25461 7419 1 19 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.145 0.967 25461 7420 1 19 . 1 1 62 62 GLY H H 62 8.209 8.209 7.820 0.389 25461 7421 1 19 . 1 1 63 63 HIS N N 63 121.370 121.370 119.279 2.091 25461 7422 1 19 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.860 -0.061 25461 7423 1 19 . 1 1 63 63 HIS C C 63 173.562 173.562 173.971 -0.409 25461 7424 1 19 . 1 1 63 63 HIS CA C 63 54.846 54.846 52.957 1.889 25461 7425 1 19 . 1 1 63 63 HIS CB C 63 30.172 30.172 29.925 0.247 25461 7426 1 19 . 1 1 63 63 HIS H H 63 8.587 8.587 8.330 0.257 25461 7427 1 19 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.695 -0.234 25461 7428 1 19 . 1 1 64 64 PRO C C 64 176.406 176.406 177.148 -0.742 25461 7429 1 19 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.733 0.355 25461 7430 1 19 . 1 1 64 64 PRO CB C 64 32.003 32.003 31.998 0.005 25461 7431 1 19 . 1 1 65 65 VAL N N 65 122.214 122.214 119.667 2.547 25461 7432 1 19 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.633 -0.279 25461 7433 1 19 . 1 1 65 65 VAL C C 65 176.217 176.217 175.752 0.465 25461 7434 1 19 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.436 2.797 25461 7435 1 19 . 1 1 65 65 VAL CB C 65 34.354 34.354 33.569 0.785 25461 7436 1 19 . 1 1 65 65 VAL H H 65 8.436 8.436 8.244 0.192 25461 7437 1 19 . 1 1 66 66 THR N N 66 118.215 118.215 112.757 5.458 25461 7438 1 19 . 1 1 66 66 THR HA H 66 4.844 4.844 4.742 0.102 25461 7439 1 19 . 1 1 66 66 THR C C 66 175.632 175.632 174.841 0.791 25461 7440 1 19 . 1 1 66 66 THR CA C 66 59.250 59.250 59.981 -0.731 25461 7441 1 19 . 1 1 66 66 THR CB C 66 71.632 71.632 71.414 0.218 25461 7442 1 19 . 1 1 66 66 THR H H 66 7.765 7.765 7.775 -0.010 25461 7443 1 19 . 1 1 67 67 THR N N 67 116.809 116.809 116.750 0.059 25461 7444 1 19 . 1 1 67 67 THR HA H 67 3.846 3.846 3.908 -0.062 25461 7445 1 19 . 1 1 67 67 THR C C 67 176.323 176.323 176.276 0.047 25461 7446 1 19 . 1 1 67 67 THR CA C 67 66.206 66.206 66.672 -0.466 25461 7447 1 19 . 1 1 67 67 THR CB C 67 68.417 68.417 68.431 -0.014 25461 7448 1 19 . 1 1 67 67 THR H H 67 8.901 8.901 8.575 0.326 25461 7449 1 19 . 1 1 68 68 GLN N N 68 120.255 120.255 119.705 0.550 25461 7450 1 19 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.247 -0.164 25461 7451 1 19 . 1 1 68 68 GLN C C 68 179.056 179.056 178.099 0.957 25461 7452 1 19 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.766 0.888 25461 7453 1 19 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.748 0.183 25461 7454 1 19 . 1 1 68 68 GLN H H 68 8.290 8.290 8.771 -0.481 25461 7455 1 19 . 1 1 69 69 MET N N 69 120.434 120.434 118.649 1.785 25461 7456 1 19 . 1 1 69 69 MET HA H 69 3.918 3.918 4.184 -0.266 25461 7457 1 19 . 1 1 69 69 MET C C 69 177.390 177.390 178.253 -0.863 25461 7458 1 19 . 1 1 69 69 MET CA C 69 59.757 59.757 58.740 1.017 25461 7459 1 19 . 1 1 69 69 MET CB C 69 35.178 35.178 32.468 2.710 25461 7460 1 19 . 1 1 69 69 MET H H 69 7.718 7.718 7.715 0.003 25461 7461 1 19 . 1 1 70 70 VAL N N 70 118.137 118.137 120.129 -1.992 25461 7462 1 19 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.528 -0.194 25461 7463 1 19 . 1 1 70 70 VAL C C 70 177.985 177.985 177.672 0.313 25461 7464 1 19 . 1 1 70 70 VAL CA C 70 66.374 66.374 67.595 -1.221 25461 7465 1 19 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.230 0.459 25461 7466 1 19 . 1 1 70 70 VAL H H 70 7.322 7.322 7.659 -0.337 25461 7467 1 19 . 1 1 71 71 GLU N N 71 118.717 118.717 119.014 -0.297 25461 7468 1 19 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.905 0.027 25461 7469 1 19 . 1 1 71 71 GLU C C 71 178.984 178.984 179.084 -0.100 25461 7470 1 19 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.571 -0.243 25461 7471 1 19 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.810 0.772 25461 7472 1 19 . 1 1 71 71 GLU H H 71 8.446 8.446 8.195 0.251 25461 7473 1 19 . 1 1 72 72 THR N N 72 116.413 116.413 117.603 -1.190 25461 7474 1 19 . 1 1 72 72 THR HA H 72 3.885 3.885 3.949 -0.064 25461 7475 1 19 . 1 1 72 72 THR C C 72 176.837 176.837 176.615 0.222 25461 7476 1 19 . 1 1 72 72 THR CA C 72 66.924 66.924 66.949 -0.025 25461 7477 1 19 . 1 1 72 72 THR CB C 72 68.594 68.594 68.510 0.084 25461 7478 1 19 . 1 1 72 72 THR H H 72 8.055 8.055 8.162 -0.107 25461 7479 1 19 . 1 1 73 73 VAL N N 73 119.440 119.440 121.298 -1.858 25461 7480 1 19 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.532 -0.171 25461 7481 1 19 . 1 1 73 73 VAL C C 73 177.119 177.119 177.619 -0.500 25461 7482 1 19 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.010 -0.537 25461 7483 1 19 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.407 -0.494 25461 7484 1 19 . 1 1 73 73 VAL H H 73 7.521 7.521 7.804 -0.283 25461 7485 1 19 . 1 1 74 74 GLN N N 74 120.105 120.105 118.738 1.367 25461 7486 1 19 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.817 -0.176 25461 7487 1 19 . 1 1 74 74 GLN C C 74 177.761 177.761 178.295 -0.534 25461 7488 1 19 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.643 0.081 25461 7489 1 19 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.284 1.013 25461 7490 1 19 . 1 1 74 74 GLN H H 74 8.884 8.884 8.494 0.390 25461 7491 1 19 . 1 1 75 75 ASN N N 75 113.460 113.460 117.556 -4.096 25461 7492 1 19 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.450 -0.088 25461 7493 1 19 . 1 1 75 75 ASN C C 75 176.122 176.122 177.614 -1.492 25461 7494 1 19 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.860 -0.369 25461 7495 1 19 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.661 0.311 25461 7496 1 19 . 1 1 75 75 ASN H H 75 7.472 7.472 8.304 -0.832 25461 7497 1 19 . 1 1 76 76 LEU N N 76 118.225 118.225 116.736 1.489 25461 7498 1 19 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.370 -0.063 25461 7499 1 19 . 1 1 76 76 LEU C C 76 175.358 175.358 176.180 -0.822 25461 7500 1 19 . 1 1 76 76 LEU CA C 76 55.378 55.378 55.765 -0.387 25461 7501 1 19 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.430 1.006 25461 7502 1 19 . 1 1 76 76 LEU H H 76 7.130 7.130 7.540 -0.410 25461 7503 1 19 . 1 1 77 77 ALA N N 77 122.753 122.753 119.084 3.669 25461 7504 1 19 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.471 -0.025 25461 7505 1 19 . 1 1 77 77 ALA C C 77 173.976 173.976 174.750 -0.774 25461 7506 1 19 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.124 0.298 25461 7507 1 19 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.941 -1.558 25461 7508 1 19 . 1 1 77 77 ALA H H 77 7.784 7.784 7.609 0.175 25461 7509 1 19 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.460 -0.074 25461 7510 1 19 . 1 1 78 78 PRO C C 78 177.311 177.311 176.594 0.717 25461 7511 1 19 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.714 0.884 25461 7512 1 19 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.625 0.516 25461 7513 1 19 . 1 1 79 79 ASN N N 79 111.571 111.571 116.376 -4.805 25461 7514 1 19 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.810 -0.056 25461 7515 1 19 . 1 1 79 79 ASN C C 79 175.765 175.765 174.927 0.838 25461 7516 1 19 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.202 -0.040 25461 7517 1 19 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.445 -1.563 25461 7518 1 19 . 1 1 79 79 ASN H H 79 7.868 7.868 8.240 -0.372 25461 7519 1 19 . 1 1 80 80 LEU N N 80 119.219 119.219 119.273 -0.054 25461 7520 1 19 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.486 -0.118 25461 7521 1 19 . 1 1 80 80 LEU C C 80 175.715 175.715 175.089 0.626 25461 7522 1 19 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.342 0.507 25461 7523 1 19 . 1 1 80 80 LEU CB C 80 43.172 43.172 44.816 -1.644 25461 7524 1 19 . 1 1 80 80 LEU H H 80 7.176 7.176 7.299 -0.123 25461 7525 1 19 . 1 1 81 81 HIS N N 81 123.894 123.894 121.378 2.516 25461 7526 1 19 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.846 -0.104 25461 7527 1 19 . 1 1 81 81 HIS C C 81 176.185 176.185 174.585 1.600 25461 7528 1 19 . 1 1 81 81 HIS CA C 81 55.492 55.492 54.891 0.601 25461 7529 1 19 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.834 0.342 25461 7530 1 19 . 1 1 81 81 HIS H H 81 9.023 9.023 8.126 0.897 25461 7531 1 19 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.222 -0.209 25461 7532 1 19 . 1 1 82 82 PRO C C 82 178.774 178.774 178.526 0.248 25461 7533 1 19 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.537 0.858 25461 7534 1 19 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.078 -0.043 25461 7535 1 19 . 1 1 83 83 GLU N N 83 120.128 120.128 118.945 1.183 25461 7536 1 19 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.256 0.154 25461 7537 1 19 . 1 1 83 83 GLU C C 83 181.651 181.651 178.874 2.777 25461 7538 1 19 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.193 0.036 25461 7539 1 19 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.565 -0.269 25461 7540 1 19 . 1 1 83 83 GLU H H 83 11.938 11.938 8.466 3.472 25461 7541 1 19 . 1 1 84 84 GLN N N 84 117.052 117.052 119.670 -2.618 25461 7542 1 19 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.920 0.061 25461 7543 1 19 . 1 1 84 84 GLN C C 84 179.958 179.958 178.668 1.290 25461 7544 1 19 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.664 0.286 25461 7545 1 19 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.489 2.181 25461 7546 1 19 . 1 1 84 84 GLN H H 84 7.467 7.467 7.548 -0.081 25461 7547 1 19 . 1 1 85 85 ILE N N 85 120.448 120.448 120.630 -0.182 25461 7548 1 19 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.707 -0.374 25461 7549 1 19 . 1 1 85 85 ILE C C 85 176.960 176.960 178.082 -1.122 25461 7550 1 19 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.362 1.166 25461 7551 1 19 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.680 0.132 25461 7552 1 19 . 1 1 85 85 ILE H H 85 7.750 7.750 7.849 -0.099 25461 7553 1 19 . 1 1 86 86 ARG N N 86 119.593 119.593 119.430 0.163 25461 7554 1 19 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.860 -0.137 25461 7555 1 19 . 1 1 86 86 ARG C C 86 177.115 177.115 178.357 -1.242 25461 7556 1 19 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.578 1.242 25461 7557 1 19 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.739 0.487 25461 7558 1 19 . 1 1 86 86 ARG H H 86 8.868 8.868 7.593 1.275 25461 7559 1 19 . 1 1 87 87 TYR N N 87 116.869 116.869 120.115 -3.246 25461 7560 1 19 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.174 0.326 25461 7561 1 19 . 1 1 87 87 TYR C C 87 177.597 177.597 177.715 -0.118 25461 7562 1 19 . 1 1 87 87 TYR CA C 87 60.123 60.123 61.109 -0.986 25461 7563 1 19 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.227 0.208 25461 7564 1 19 . 1 1 87 87 TYR H H 87 7.684 7.684 7.816 -0.132 25461 7565 1 19 . 1 1 88 88 SER N N 88 110.655 110.655 116.278 -5.623 25461 7566 1 19 . 1 1 88 88 SER HA H 88 4.155 4.155 3.892 0.263 25461 7567 1 19 . 1 1 88 88 SER C C 88 177.666 177.666 176.524 1.142 25461 7568 1 19 . 1 1 88 88 SER CA C 88 61.207 61.207 61.593 -0.385 25461 7569 1 19 . 1 1 88 88 SER CB C 88 62.880 62.880 62.234 0.646 25461 7570 1 19 . 1 1 88 88 SER H H 88 7.510 7.510 8.354 -0.844 25461 7571 1 19 . 1 1 89 89 LEU N N 89 119.356 119.356 123.205 -3.849 25461 7572 1 19 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.174 0.019 25461 7573 1 19 . 1 1 89 89 LEU C C 89 180.057 180.057 179.860 0.197 25461 7574 1 19 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.646 -0.269 25461 7575 1 19 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.372 1.973 25461 7576 1 19 . 1 1 89 89 LEU H H 89 8.522 8.522 8.630 -0.108 25461 7577 1 19 . 1 1 90 90 GLU N N 90 120.190 120.190 119.566 0.624 25461 7578 1 19 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.328 -0.212 25461 7579 1 19 . 1 1 90 90 GLU C C 90 177.812 177.812 179.278 -1.466 25461 7580 1 19 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.348 -0.306 25461 7581 1 19 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.116 0.876 25461 7582 1 19 . 1 1 90 90 GLU H H 90 8.511 8.511 7.970 0.541 25461 7583 1 19 . 1 1 91 91 ASN N N 91 115.736 115.736 116.430 -0.694 25461 7584 1 19 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.406 0.280 25461 7585 1 19 . 1 1 91 91 ASN C C 91 177.109 177.109 177.107 0.002 25461 7586 1 19 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.549 0.141 25461 7587 1 19 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.736 1.750 25461 7588 1 19 . 1 1 91 91 ASN H H 91 7.465 7.465 7.902 -0.437 25461 7589 1 19 . 1 1 92 92 THR N N 92 110.330 110.330 110.430 -0.100 25461 7590 1 19 . 1 1 92 92 THR HA H 92 4.142 4.142 4.228 -0.086 25461 7591 1 19 . 1 1 92 92 THR C C 92 176.599 176.599 176.059 0.540 25461 7592 1 19 . 1 1 92 92 THR CA C 92 62.581 62.581 63.719 -1.138 25461 7593 1 19 . 1 1 92 92 THR CB C 92 70.198 70.198 70.385 -0.187 25461 7594 1 19 . 1 1 92 92 THR H H 92 9.251 9.251 8.114 1.137 25461 7595 1 19 . 1 1 93 93 GLY N N 93 112.211 112.211 112.044 0.167 25461 7596 1 19 . 1 1 93 93 GLY C C 93 174.132 174.132 173.410 0.722 25461 7597 1 19 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.365 0.306 25461 7598 1 19 . 1 1 93 93 GLY H H 93 8.682 8.682 8.242 0.440 25461 7599 1 19 . 1 1 94 94 SER N N 94 111.808 111.808 113.605 -1.797 25461 7600 1 19 . 1 1 94 94 SER HA H 94 4.784 4.784 4.774 0.010 25461 7601 1 19 . 1 1 94 94 SER C C 94 173.862 173.862 174.398 -0.536 25461 7602 1 19 . 1 1 94 94 SER CA C 94 56.221 56.221 55.913 0.308 25461 7603 1 19 . 1 1 94 94 SER CB C 94 64.454 64.454 65.016 -0.562 25461 7604 1 19 . 1 1 94 94 SER H H 94 8.058 8.058 7.271 0.787 25461 7605 1 19 . 1 1 95 95 VAL N N 95 129.818 129.818 125.382 4.436 25461 7606 1 19 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.783 -0.426 25461 7607 1 19 . 1 1 95 95 VAL C C 95 176.909 176.909 177.265 -0.356 25461 7608 1 19 . 1 1 95 95 VAL CA C 95 66.806 66.806 64.920 1.886 25461 7609 1 19 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.876 0.443 25461 7610 1 19 . 1 1 95 95 VAL H H 95 8.983 8.983 8.770 0.213 25461 7611 1 19 . 1 1 96 96 GLU N N 96 117.745 117.745 119.479 -1.734 25461 7612 1 19 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.841 -0.017 25461 7613 1 19 . 1 1 96 96 GLU C C 96 179.126 179.126 178.219 0.907 25461 7614 1 19 . 1 1 96 96 GLU CA C 96 60.825 60.825 60.089 0.737 25461 7615 1 19 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.887 0.122 25461 7616 1 19 . 1 1 96 96 GLU H H 96 8.673 8.673 8.005 0.668 25461 7617 1 19 . 1 1 97 97 GLU N N 97 120.049 120.049 119.201 0.848 25461 7618 1 19 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.155 -0.009 25461 7619 1 19 . 1 1 97 97 GLU C C 97 178.947 178.947 178.773 0.174 25461 7620 1 19 . 1 1 97 97 GLU CA C 97 58.941 58.941 58.992 -0.051 25461 7621 1 19 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.879 0.865 25461 7622 1 19 . 1 1 97 97 GLU H H 97 8.125 8.125 8.136 -0.011 25461 7623 1 19 . 1 1 98 98 THR N N 98 118.623 118.623 116.613 2.010 25461 7624 1 19 . 1 1 98 98 THR HA H 98 3.805 3.805 4.068 -0.263 25461 7625 1 19 . 1 1 98 98 THR C C 98 175.676 175.676 176.716 -1.040 25461 7626 1 19 . 1 1 98 98 THR CA C 98 70.162 70.162 67.017 3.145 25461 7627 1 19 . 1 1 98 98 THR CB C 98 69.317 69.317 68.593 0.725 25461 7628 1 19 . 1 1 98 98 THR H H 98 8.038 8.038 7.481 0.557 25461 7629 1 19 . 1 1 99 99 VAL N N 99 120.683 120.683 120.565 0.118 25461 7630 1 19 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.854 -0.313 25461 7631 1 19 . 1 1 99 99 VAL C C 99 177.456 177.456 177.959 -0.503 25461 7632 1 19 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.198 1.726 25461 7633 1 19 . 1 1 99 99 VAL CB C 99 31.566 31.566 30.653 0.913 25461 7634 1 19 . 1 1 99 99 VAL H H 99 8.724 8.724 8.528 0.196 25461 7635 1 19 . 1 1 100 100 GLU N N 100 120.914 120.914 120.103 0.811 25461 7636 1 19 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.145 -0.131 25461 7637 1 19 . 1 1 100 100 GLU C C 100 179.857 179.857 179.378 0.479 25461 7638 1 19 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.801 0.419 25461 7639 1 19 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.470 -0.262 25461 7640 1 19 . 1 1 100 100 GLU H H 100 8.324 8.324 8.026 0.298 25461 7641 1 19 . 1 1 101 101 ARG N N 101 118.451 118.451 118.039 0.412 25461 7642 1 19 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.175 -0.302 25461 7643 1 19 . 1 1 101 101 ARG C C 101 178.078 178.078 178.349 -0.271 25461 7644 1 19 . 1 1 101 101 ARG CA C 101 59.978 59.978 59.102 0.876 25461 7645 1 19 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.845 0.102 25461 7646 1 19 . 1 1 101 101 ARG H H 101 8.197 8.197 8.599 -0.402 25461 7647 1 19 . 1 1 102 102 TYR N N 102 119.888 119.888 123.518 -3.630 25461 7648 1 19 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.194 0.281 25461 7649 1 19 . 1 1 102 102 TYR C C 102 180.056 180.056 177.878 2.178 25461 7650 1 19 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.316 0.210 25461 7651 1 19 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.383 -0.867 25461 7652 1 19 . 1 1 102 102 TYR H H 102 8.180 8.180 8.214 -0.034 25461 7653 1 19 . 1 1 103 103 LEU N N 103 122.091 122.091 118.945 3.146 25461 7654 1 19 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.652 0.179 25461 7655 1 19 . 1 1 103 103 LEU C C 103 178.973 178.973 178.035 0.938 25461 7656 1 19 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.404 0.021 25461 7657 1 19 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.261 0.361 25461 7658 1 19 . 1 1 103 103 LEU H H 103 9.050 9.050 8.188 0.862 25461 7659 1 19 . 1 1 104 104 ARG N N 104 116.388 116.388 119.553 -3.165 25461 7660 1 19 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.257 0.119 25461 7661 1 19 . 1 1 104 104 ARG C C 104 176.877 176.877 177.566 -0.689 25461 7662 1 19 . 1 1 104 104 ARG CA C 104 56.572 56.572 55.913 0.659 25461 7663 1 19 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.391 0.087 25461 7664 1 19 . 1 1 104 104 ARG H H 104 7.888 7.888 7.517 0.371 25461 7665 1 19 . 1 1 105 105 GLY N N 105 107.432 107.432 109.723 -2.291 25461 7666 1 19 . 1 1 105 105 GLY C C 105 174.796 174.796 174.695 0.101 25461 7667 1 19 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.330 0.002 25461 7668 1 19 . 1 1 105 105 GLY H H 105 7.688 7.688 7.932 -0.244 25461 7669 1 19 . 1 1 106 106 ASP N N 106 121.505 121.505 120.559 0.946 25461 7670 1 19 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.629 -0.248 25461 7671 1 19 . 1 1 106 106 ASP C C 106 175.595 175.595 176.053 -0.458 25461 7672 1 19 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.792 0.245 25461 7673 1 19 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.493 -1.922 25461 7674 1 19 . 1 1 106 106 ASP H H 106 7.878 7.878 8.116 -0.238 25461 7675 1 19 . 1 1 107 107 GLU N N 107 119.581 119.581 118.807 0.774 25461 7676 1 19 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.432 -0.050 25461 7677 1 19 . 1 1 107 107 GLU C C 107 177.123 177.123 175.326 1.797 25461 7678 1 19 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.855 -0.380 25461 7679 1 19 . 1 1 107 107 GLU CB C 107 30.522 30.522 29.867 0.654 25461 7680 1 19 . 1 1 107 107 GLU H H 107 8.394 8.394 8.424 -0.030 25461 7681 1 19 . 1 1 108 108 PHE N N 108 126.975 126.975 124.223 2.752 25461 7682 1 19 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.721 -0.099 25461 7683 1 19 . 1 1 108 108 PHE C C 108 176.186 176.186 174.837 1.349 25461 7684 1 19 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.073 0.157 25461 7685 1 19 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.696 -0.452 25461 7686 1 19 . 1 1 108 108 PHE H H 108 9.373 9.373 8.715 0.658 25461 7687 1 19 . 1 1 109 109 SER N N 109 121.198 121.198 118.948 2.250 25461 7688 1 19 . 1 1 109 109 SER HA H 109 4.582 4.582 4.584 -0.002 25461 7689 1 19 . 1 1 109 109 SER C C 109 175.060 175.060 173.153 1.907 25461 7690 1 19 . 1 1 109 109 SER CA C 109 58.928 58.928 57.682 1.246 25461 7691 1 19 . 1 1 109 109 SER CB C 109 64.213 64.213 64.930 -0.716 25461 7692 1 19 . 1 1 109 109 SER H H 109 8.694 8.694 8.542 0.152 25461 7693 1 19 . 1 1 110 110 PHE N N 110 121.734 121.734 119.934 1.800 25461 7694 1 19 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.351 -0.164 25461 7695 1 19 . 1 1 110 110 PHE C C 110 172.930 172.930 173.919 -0.989 25461 7696 1 19 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.670 2.079 25461 7697 1 19 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.343 -0.846 25461 7698 1 19 . 1 1 110 110 PHE H H 110 8.965 8.965 8.209 0.756 25461 7699 1 19 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.909 -0.560 25461 7700 1 19 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.376 -0.304 25461 7701 1 19 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.321 -0.003 25461 7702 1 19 . 1 1 112 112 PRO C C 112 177.703 177.703 177.959 -0.256 25461 7703 1 19 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.852 -0.263 25461 7704 1 19 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.499 0.259 25461 7705 1 19 . 1 1 113 113 GLY N N 113 110.960 110.960 110.429 0.531 25461 7706 1 19 . 1 1 113 113 GLY C C 113 174.074 174.074 174.951 -0.877 25461 7707 1 19 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.210 -0.050 25461 7708 1 19 . 1 1 113 113 GLY H H 113 8.682 8.682 8.402 0.280 25461 7709 1 19 . 1 1 114 114 PHE N N 114 120.992 120.992 120.919 0.073 25461 7710 1 19 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.348 -0.038 25461 7711 1 19 . 1 1 114 114 PHE C C 114 174.567 174.567 176.454 -1.887 25461 7712 1 19 . 1 1 114 114 PHE CA C 114 59.324 59.324 58.829 0.495 25461 7713 1 19 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.657 0.492 25461 7714 1 19 . 1 1 114 114 PHE H H 114 7.771 7.771 7.902 -0.131 25461 7715 1 20 . 1 1 42 42 ALA HA H 42 4.357 4.357 4.412 -0.055 25461 7716 1 20 . 1 1 42 42 ALA C C 42 177.825 177.825 177.699 0.126 25461 7717 1 20 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.016 0.659 25461 7718 1 20 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.404 0.048 25461 7719 1 20 . 1 1 43 43 MET N N 43 119.667 119.667 118.231 1.436 25461 7720 1 20 . 1 1 43 43 MET HA H 43 4.549 4.549 4.117 0.432 25461 7721 1 20 . 1 1 43 43 MET C C 43 176.478 176.478 175.491 0.987 25461 7722 1 20 . 1 1 43 43 MET CA C 43 55.344 55.344 55.070 0.274 25461 7723 1 20 . 1 1 43 43 MET CB C 43 33.129 33.129 31.554 1.575 25461 7724 1 20 . 1 1 43 43 MET H H 43 8.507 8.507 8.061 0.446 25461 7725 1 20 . 1 1 44 44 GLY N N 44 110.244 110.244 108.425 1.819 25461 7726 1 20 . 1 1 44 44 GLY C C 44 172.009 172.009 172.015 -0.006 25461 7727 1 20 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.165 0.477 25461 7728 1 20 . 1 1 44 44 GLY H H 44 8.251 8.251 8.250 0.001 25461 7729 1 20 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.586 -0.153 25461 7730 1 20 . 1 1 45 45 PRO C C 45 177.510 177.510 176.687 0.823 25461 7731 1 20 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.433 0.972 25461 7732 1 20 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.501 -0.395 25461 7733 1 20 . 1 1 46 46 GLN N N 46 120.607 120.607 118.354 2.253 25461 7734 1 20 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.298 0.048 25461 7735 1 20 . 1 1 46 46 GLN C C 46 176.687 176.687 176.557 0.130 25461 7736 1 20 . 1 1 46 46 GLN CA C 46 56.056 56.056 56.256 -0.200 25461 7737 1 20 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.011 0.412 25461 7738 1 20 . 1 1 46 46 GLN H H 46 8.628 8.628 8.402 0.226 25461 7739 1 20 . 1 1 47 47 GLY N N 47 110.011 110.011 107.616 2.395 25461 7740 1 20 . 1 1 47 47 GLY C C 47 174.308 174.308 172.850 1.458 25461 7741 1 20 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.769 0.665 25461 7742 1 20 . 1 1 47 47 GLY H H 47 8.411 8.411 7.850 0.561 25461 7743 1 20 . 1 1 48 48 SER N N 48 115.646 115.646 116.456 -0.810 25461 7744 1 20 . 1 1 48 48 SER HA H 48 4.542 4.542 4.658 -0.116 25461 7745 1 20 . 1 1 48 48 SER C C 48 175.288 175.288 173.738 1.550 25461 7746 1 20 . 1 1 48 48 SER CA C 48 58.437 58.437 57.675 0.762 25461 7747 1 20 . 1 1 48 48 SER CB C 48 63.965 63.965 64.065 -0.100 25461 7748 1 20 . 1 1 48 48 SER H H 48 8.284 8.284 8.270 0.014 25461 7749 1 20 . 1 1 49 49 THR N N 49 115.928 115.928 113.701 2.227 25461 7750 1 20 . 1 1 49 49 THR HA H 49 4.343 4.343 4.022 0.321 25461 7751 1 20 . 1 1 49 49 THR C C 49 174.948 174.948 174.343 0.605 25461 7752 1 20 . 1 1 49 49 THR CA C 49 62.294 62.294 63.344 -1.050 25461 7753 1 20 . 1 1 49 49 THR CB C 49 69.614 69.614 67.522 2.092 25461 7754 1 20 . 1 1 49 49 THR H H 49 8.282 8.282 8.475 -0.193 25461 7755 1 20 . 1 1 50 50 GLN N N 50 122.155 122.155 121.552 0.603 25461 7756 1 20 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.177 0.210 25461 7757 1 20 . 1 1 50 50 GLN C C 50 176.071 176.071 176.170 -0.099 25461 7758 1 20 . 1 1 50 50 GLN CA C 50 56.390 56.390 56.653 -0.263 25461 7759 1 20 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.833 -0.607 25461 7760 1 20 . 1 1 50 50 GLN H H 50 8.401 8.401 8.340 0.061 25461 7761 1 20 . 1 1 51 51 ASN N N 51 119.604 119.604 116.997 2.607 25461 7762 1 20 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.726 -0.088 25461 7763 1 20 . 1 1 51 51 ASN C C 51 175.275 175.275 174.974 0.301 25461 7764 1 20 . 1 1 51 51 ASN CA C 51 53.650 53.650 52.389 1.261 25461 7765 1 20 . 1 1 51 51 ASN CB C 51 38.857 38.857 39.252 -0.395 25461 7766 1 20 . 1 1 51 51 ASN H H 51 8.395 8.395 8.287 0.108 25461 7767 1 20 . 1 1 52 52 ALA N N 52 124.054 124.054 120.233 3.821 25461 7768 1 20 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.102 0.160 25461 7769 1 20 . 1 1 52 52 ALA C C 52 177.915 177.915 177.151 0.764 25461 7770 1 20 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.927 0.164 25461 7771 1 20 . 1 1 52 52 ALA CB C 52 19.174 19.174 17.104 2.070 25461 7772 1 20 . 1 1 52 52 ALA H H 52 8.227 8.227 8.448 -0.221 25461 7773 1 20 . 1 1 53 53 LEU N N 53 120.325 120.325 116.439 3.886 25461 7774 1 20 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.333 -0.041 25461 7775 1 20 . 1 1 53 53 LEU C C 53 177.531 177.531 176.991 0.540 25461 7776 1 20 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.536 0.907 25461 7777 1 20 . 1 1 53 53 LEU CB C 53 42.207 42.207 42.375 -0.168 25461 7778 1 20 . 1 1 53 53 LEU H H 53 8.097 8.097 7.604 0.493 25461 7779 1 20 . 1 1 54 54 ARG N N 54 121.409 121.409 121.227 0.182 25461 7780 1 20 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.199 0.134 25461 7781 1 20 . 1 1 54 54 ARG C C 54 176.332 176.332 176.475 -0.143 25461 7782 1 20 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.213 -0.026 25461 7783 1 20 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.595 0.141 25461 7784 1 20 . 1 1 54 54 ARG H H 54 8.155 8.155 8.327 -0.172 25461 7785 1 20 . 1 1 55 55 ARG N N 55 122.380 122.380 125.333 -2.953 25461 7786 1 20 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.195 0.223 25461 7787 1 20 . 1 1 55 55 ARG C C 55 176.563 176.563 175.544 1.019 25461 7788 1 20 . 1 1 55 55 ARG CA C 55 56.289 56.289 57.414 -1.125 25461 7789 1 20 . 1 1 55 55 ARG CB C 55 30.838 30.838 29.604 1.234 25461 7790 1 20 . 1 1 55 55 ARG H H 55 8.389 8.389 8.615 -0.226 25461 7791 1 20 . 1 1 56 56 THR N N 56 114.693 114.693 116.397 -1.704 25461 7792 1 20 . 1 1 56 56 THR HA H 56 4.372 4.372 4.579 -0.207 25461 7793 1 20 . 1 1 56 56 THR C C 56 175.062 175.062 174.582 0.480 25461 7794 1 20 . 1 1 56 56 THR CA C 56 61.926 61.926 61.364 0.562 25461 7795 1 20 . 1 1 56 56 THR CB C 56 70.016 70.016 71.257 -1.241 25461 7796 1 20 . 1 1 56 56 THR H H 56 8.204 8.204 8.230 -0.026 25461 7797 1 20 . 1 1 57 57 GLY N N 57 111.042 111.042 108.230 2.812 25461 7798 1 20 . 1 1 57 57 GLY C C 57 173.868 173.868 174.297 -0.429 25461 7799 1 20 . 1 1 57 57 GLY CA C 57 45.291 45.291 45.150 0.141 25461 7800 1 20 . 1 1 57 57 GLY H H 57 8.424 8.424 8.671 -0.247 25461 7801 1 20 . 1 1 58 58 ARG N N 58 120.824 120.824 120.262 0.562 25461 7802 1 20 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.485 -0.099 25461 7803 1 20 . 1 1 58 58 ARG C C 58 176.522 176.522 174.289 2.233 25461 7804 1 20 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.853 0.258 25461 7805 1 20 . 1 1 58 58 ARG CB C 58 31.074 31.074 31.573 -0.499 25461 7806 1 20 . 1 1 58 58 ARG H H 58 8.232 8.232 7.850 0.382 25461 7807 1 20 . 1 1 59 59 VAL N N 59 121.437 121.437 122.662 -1.225 25461 7808 1 20 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.265 -0.145 25461 7809 1 20 . 1 1 59 59 VAL C C 59 176.022 176.022 175.357 0.665 25461 7810 1 20 . 1 1 59 59 VAL CA C 59 62.413 62.413 61.014 1.399 25461 7811 1 20 . 1 1 59 59 VAL CB C 59 32.815 32.815 34.257 -1.442 25461 7812 1 20 . 1 1 59 59 VAL H H 59 8.307 8.307 8.270 0.037 25461 7813 1 20 . 1 1 60 60 ASN N N 60 122.487 122.487 119.986 2.501 25461 7814 1 20 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.695 0.042 25461 7815 1 20 . 1 1 60 60 ASN C C 60 175.521 175.521 176.103 -0.582 25461 7816 1 20 . 1 1 60 60 ASN CA C 60 53.375 53.375 54.001 -0.626 25461 7817 1 20 . 1 1 60 60 ASN CB C 60 39.098 39.098 39.083 0.015 25461 7818 1 20 . 1 1 60 60 ASN H H 60 8.593 8.593 8.288 0.305 25461 7819 1 20 . 1 1 61 61 GLY N N 61 109.681 109.681 108.850 0.831 25461 7820 1 20 . 1 1 61 61 GLY C C 61 174.361 174.361 173.176 1.185 25461 7821 1 20 . 1 1 61 61 GLY CA C 61 45.499 45.499 45.019 0.480 25461 7822 1 20 . 1 1 61 61 GLY H H 61 8.407 8.407 8.686 -0.279 25461 7823 1 20 . 1 1 62 62 GLY N N 62 108.197 108.197 110.379 -2.182 25461 7824 1 20 . 1 1 62 62 GLY C C 62 173.866 173.866 173.725 0.141 25461 7825 1 20 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.752 0.360 25461 7826 1 20 . 1 1 62 62 GLY H H 62 8.209 8.209 7.913 0.296 25461 7827 1 20 . 1 1 63 63 HIS N N 63 121.370 121.370 119.687 1.683 25461 7828 1 20 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.882 -0.083 25461 7829 1 20 . 1 1 63 63 HIS C C 63 173.562 173.562 174.885 -1.323 25461 7830 1 20 . 1 1 63 63 HIS CA C 63 54.846 54.846 55.338 -0.492 25461 7831 1 20 . 1 1 63 63 HIS CB C 63 30.172 30.172 29.693 0.479 25461 7832 1 20 . 1 1 63 63 HIS H H 63 8.587 8.587 8.401 0.186 25461 7833 1 20 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.518 -0.057 25461 7834 1 20 . 1 1 64 64 PRO C C 64 176.406 176.406 175.801 0.605 25461 7835 1 20 . 1 1 64 64 PRO CA C 64 63.088 63.088 63.146 -0.058 25461 7836 1 20 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.140 -0.137 25461 7837 1 20 . 1 1 65 65 VAL N N 65 122.214 122.214 116.167 6.047 25461 7838 1 20 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.747 -0.393 25461 7839 1 20 . 1 1 65 65 VAL C C 65 176.217 176.217 174.963 1.254 25461 7840 1 20 . 1 1 65 65 VAL CA C 65 62.233 62.233 58.970 3.263 25461 7841 1 20 . 1 1 65 65 VAL CB C 65 34.354 34.354 35.592 -1.238 25461 7842 1 20 . 1 1 65 65 VAL H H 65 8.436 8.436 8.033 0.403 25461 7843 1 20 . 1 1 66 66 THR N N 66 118.215 118.215 112.354 5.861 25461 7844 1 20 . 1 1 66 66 THR HA H 66 4.844 4.844 4.824 0.020 25461 7845 1 20 . 1 1 66 66 THR C C 66 175.632 175.632 176.250 -0.618 25461 7846 1 20 . 1 1 66 66 THR CA C 66 59.250 59.250 59.897 -0.646 25461 7847 1 20 . 1 1 66 66 THR CB C 66 71.632 71.632 72.120 -0.488 25461 7848 1 20 . 1 1 66 66 THR H H 66 7.765 7.765 8.054 -0.289 25461 7849 1 20 . 1 1 67 67 THR N N 67 116.809 116.809 118.413 -1.604 25461 7850 1 20 . 1 1 67 67 THR HA H 67 3.846 3.846 3.802 0.044 25461 7851 1 20 . 1 1 67 67 THR C C 67 176.323 176.323 176.627 -0.304 25461 7852 1 20 . 1 1 67 67 THR CA C 67 66.206 66.206 67.445 -1.239 25461 7853 1 20 . 1 1 67 67 THR CB C 67 68.417 68.417 68.440 -0.023 25461 7854 1 20 . 1 1 67 67 THR H H 67 8.901 8.901 8.893 0.008 25461 7855 1 20 . 1 1 68 68 GLN N N 68 120.255 120.255 119.366 0.889 25461 7856 1 20 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.130 -0.047 25461 7857 1 20 . 1 1 68 68 GLN C C 68 179.056 179.056 178.356 0.700 25461 7858 1 20 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.680 0.974 25461 7859 1 20 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.774 0.157 25461 7860 1 20 . 1 1 68 68 GLN H H 68 8.290 8.290 8.766 -0.476 25461 7861 1 20 . 1 1 69 69 MET N N 69 120.434 120.434 118.728 1.706 25461 7862 1 20 . 1 1 69 69 MET HA H 69 3.918 3.918 4.130 -0.212 25461 7863 1 20 . 1 1 69 69 MET C C 69 177.390 177.390 178.249 -0.859 25461 7864 1 20 . 1 1 69 69 MET CA C 69 59.757 59.757 59.000 0.757 25461 7865 1 20 . 1 1 69 69 MET CB C 69 35.178 35.178 32.498 2.680 25461 7866 1 20 . 1 1 69 69 MET H H 69 7.718 7.718 8.188 -0.470 25461 7867 1 20 . 1 1 70 70 VAL N N 70 118.137 118.137 119.780 -1.643 25461 7868 1 20 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.461 -0.127 25461 7869 1 20 . 1 1 70 70 VAL C C 70 177.985 177.985 177.904 0.081 25461 7870 1 20 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.816 -0.442 25461 7871 1 20 . 1 1 70 70 VAL CB C 70 31.689 31.689 31.182 0.507 25461 7872 1 20 . 1 1 70 70 VAL H H 70 7.322 7.322 7.612 -0.290 25461 7873 1 20 . 1 1 71 71 GLU N N 71 118.717 118.717 118.184 0.533 25461 7874 1 20 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.912 0.020 25461 7875 1 20 . 1 1 71 71 GLU C C 71 178.984 178.984 179.174 -0.190 25461 7876 1 20 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.350 -0.022 25461 7877 1 20 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.962 0.620 25461 7878 1 20 . 1 1 71 71 GLU H H 71 8.446 8.446 8.110 0.336 25461 7879 1 20 . 1 1 72 72 THR N N 72 116.413 116.413 117.186 -0.773 25461 7880 1 20 . 1 1 72 72 THR HA H 72 3.885 3.885 3.966 -0.081 25461 7881 1 20 . 1 1 72 72 THR C C 72 176.837 176.837 176.783 0.054 25461 7882 1 20 . 1 1 72 72 THR CA C 72 66.924 66.924 66.423 0.501 25461 7883 1 20 . 1 1 72 72 THR CB C 72 68.594 68.594 68.626 -0.032 25461 7884 1 20 . 1 1 72 72 THR H H 72 8.055 8.055 8.024 0.031 25461 7885 1 20 . 1 1 73 73 VAL N N 73 119.440 119.440 121.359 -1.919 25461 7886 1 20 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.527 -0.166 25461 7887 1 20 . 1 1 73 73 VAL C C 73 177.119 177.119 177.708 -0.589 25461 7888 1 20 . 1 1 73 73 VAL CA C 73 66.473 66.473 67.216 -0.743 25461 7889 1 20 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.197 -0.284 25461 7890 1 20 . 1 1 73 73 VAL H H 73 7.521 7.521 7.831 -0.310 25461 7891 1 20 . 1 1 74 74 GLN N N 74 120.105 120.105 118.877 1.228 25461 7892 1 20 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.970 -0.329 25461 7893 1 20 . 1 1 74 74 GLN C C 74 177.761 177.761 178.097 -0.336 25461 7894 1 20 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.544 0.180 25461 7895 1 20 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.226 1.071 25461 7896 1 20 . 1 1 74 74 GLN H H 74 8.884 8.884 8.503 0.381 25461 7897 1 20 . 1 1 75 75 ASN N N 75 113.460 113.460 117.720 -4.260 25461 7898 1 20 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.448 -0.086 25461 7899 1 20 . 1 1 75 75 ASN C C 75 176.122 176.122 177.530 -1.408 25461 7900 1 20 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.884 -0.393 25461 7901 1 20 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.649 0.323 25461 7902 1 20 . 1 1 75 75 ASN H H 75 7.472 7.472 8.093 -0.621 25461 7903 1 20 . 1 1 76 76 LEU N N 76 118.225 118.225 117.842 0.383 25461 7904 1 20 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.269 0.038 25461 7905 1 20 . 1 1 76 76 LEU C C 76 175.358 175.358 176.746 -1.388 25461 7906 1 20 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.713 -1.335 25461 7907 1 20 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.578 0.858 25461 7908 1 20 . 1 1 76 76 LEU H H 76 7.130 7.130 7.644 -0.514 25461 7909 1 20 . 1 1 77 77 ALA N N 77 122.753 122.753 119.425 3.328 25461 7910 1 20 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.530 -0.084 25461 7911 1 20 . 1 1 77 77 ALA C C 77 173.976 173.976 175.205 -1.229 25461 7912 1 20 . 1 1 77 77 ALA CA C 77 49.422 49.422 48.448 0.974 25461 7913 1 20 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.622 -1.239 25461 7914 1 20 . 1 1 77 77 ALA H H 77 7.784 7.784 7.998 -0.214 25461 7915 1 20 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.378 0.008 25461 7916 1 20 . 1 1 78 78 PRO C C 78 177.311 177.311 176.866 0.445 25461 7917 1 20 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.963 0.635 25461 7918 1 20 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.779 0.362 25461 7919 1 20 . 1 1 79 79 ASN N N 79 111.571 111.571 115.847 -4.276 25461 7920 1 20 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.665 0.089 25461 7921 1 20 . 1 1 79 79 ASN C C 79 175.765 175.765 175.749 0.016 25461 7922 1 20 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.316 -0.154 25461 7923 1 20 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.355 -1.474 25461 7924 1 20 . 1 1 79 79 ASN H H 79 7.868 7.868 7.975 -0.107 25461 7925 1 20 . 1 1 80 80 LEU N N 80 119.219 119.219 119.974 -0.755 25461 7926 1 20 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.314 0.054 25461 7927 1 20 . 1 1 80 80 LEU C C 80 175.715 175.715 175.656 0.059 25461 7928 1 20 . 1 1 80 80 LEU CA C 80 53.849 53.849 54.026 -0.177 25461 7929 1 20 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.662 -0.490 25461 7930 1 20 . 1 1 80 80 LEU H H 80 7.176 7.176 7.458 -0.282 25461 7931 1 20 . 1 1 81 81 HIS N N 81 123.894 123.894 121.851 2.043 25461 7932 1 20 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.771 -0.029 25461 7933 1 20 . 1 1 81 81 HIS C C 81 176.185 176.185 174.691 1.494 25461 7934 1 20 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.726 -0.234 25461 7935 1 20 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.700 0.475 25461 7936 1 20 . 1 1 81 81 HIS H H 81 9.023 9.023 8.834 0.189 25461 7937 1 20 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.241 -0.228 25461 7938 1 20 . 1 1 82 82 PRO C C 82 178.774 178.774 178.487 0.287 25461 7939 1 20 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.588 0.806 25461 7940 1 20 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.091 -0.056 25461 7941 1 20 . 1 1 83 83 GLU N N 83 120.128 120.128 118.804 1.324 25461 7942 1 20 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.183 0.227 25461 7943 1 20 . 1 1 83 83 GLU C C 83 181.651 181.651 178.833 2.818 25461 7944 1 20 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.194 0.035 25461 7945 1 20 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.571 -0.275 25461 7946 1 20 . 1 1 83 83 GLU H H 83 11.938 11.938 8.270 3.668 25461 7947 1 20 . 1 1 84 84 GLN N N 84 117.052 117.052 119.361 -2.309 25461 7948 1 20 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.778 0.203 25461 7949 1 20 . 1 1 84 84 GLN C C 84 179.958 179.958 178.563 1.395 25461 7950 1 20 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.628 0.322 25461 7951 1 20 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.447 2.223 25461 7952 1 20 . 1 1 84 84 GLN H H 84 7.467 7.467 7.500 -0.033 25461 7953 1 20 . 1 1 85 85 ILE N N 85 120.448 120.448 120.356 0.092 25461 7954 1 20 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.618 -0.285 25461 7955 1 20 . 1 1 85 85 ILE C C 85 176.960 176.960 177.534 -0.574 25461 7956 1 20 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.382 1.146 25461 7957 1 20 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.499 0.313 25461 7958 1 20 . 1 1 85 85 ILE H H 85 7.750 7.750 7.601 0.149 25461 7959 1 20 . 1 1 86 86 ARG N N 86 119.593 119.593 119.351 0.242 25461 7960 1 20 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.877 -0.154 25461 7961 1 20 . 1 1 86 86 ARG C C 86 177.115 177.115 178.325 -1.210 25461 7962 1 20 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.880 0.939 25461 7963 1 20 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.712 0.514 25461 7964 1 20 . 1 1 86 86 ARG H H 86 8.868 8.868 7.802 1.066 25461 7965 1 20 . 1 1 87 87 TYR N N 87 116.869 116.869 119.284 -2.415 25461 7966 1 20 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.302 0.198 25461 7967 1 20 . 1 1 87 87 TYR C C 87 177.597 177.597 178.133 -0.536 25461 7968 1 20 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.712 -0.589 25461 7969 1 20 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.061 0.374 25461 7970 1 20 . 1 1 87 87 TYR H H 87 7.684 7.684 7.670 0.014 25461 7971 1 20 . 1 1 88 88 SER N N 88 110.655 110.655 116.200 -5.545 25461 7972 1 20 . 1 1 88 88 SER HA H 88 4.155 4.155 3.965 0.190 25461 7973 1 20 . 1 1 88 88 SER C C 88 177.666 177.666 176.779 0.887 25461 7974 1 20 . 1 1 88 88 SER CA C 88 61.207 61.207 62.564 -1.357 25461 7975 1 20 . 1 1 88 88 SER CB C 88 62.880 62.880 62.995 -0.115 25461 7976 1 20 . 1 1 88 88 SER H H 88 7.510 7.510 8.329 -0.819 25461 7977 1 20 . 1 1 89 89 LEU N N 89 119.356 119.356 122.424 -3.068 25461 7978 1 20 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.099 0.094 25461 7979 1 20 . 1 1 89 89 LEU C C 89 180.057 180.057 179.961 0.096 25461 7980 1 20 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.991 -0.614 25461 7981 1 20 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.664 1.681 25461 7982 1 20 . 1 1 89 89 LEU H H 89 8.522 8.522 8.891 -0.369 25461 7983 1 20 . 1 1 90 90 GLU N N 90 120.190 120.190 119.475 0.715 25461 7984 1 20 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.192 -0.076 25461 7985 1 20 . 1 1 90 90 GLU C C 90 177.812 177.812 179.223 -1.411 25461 7986 1 20 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.607 -0.565 25461 7987 1 20 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.395 0.597 25461 7988 1 20 . 1 1 90 90 GLU H H 90 8.511 8.511 8.045 0.466 25461 7989 1 20 . 1 1 91 91 ASN N N 91 115.736 115.736 116.727 -0.991 25461 7990 1 20 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.496 0.190 25461 7991 1 20 . 1 1 91 91 ASN C C 91 177.109 177.109 177.340 -0.231 25461 7992 1 20 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.663 0.027 25461 7993 1 20 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.804 1.682 25461 7994 1 20 . 1 1 91 91 ASN H H 91 7.465 7.465 7.889 -0.424 25461 7995 1 20 . 1 1 92 92 THR N N 92 110.330 110.330 110.602 -0.272 25461 7996 1 20 . 1 1 92 92 THR HA H 92 4.142 4.142 4.255 -0.113 25461 7997 1 20 . 1 1 92 92 THR C C 92 176.599 176.599 176.108 0.491 25461 7998 1 20 . 1 1 92 92 THR CA C 92 62.581 62.581 64.050 -1.469 25461 7999 1 20 . 1 1 92 92 THR CB C 92 70.198 70.198 69.937 0.261 25461 8000 1 20 . 1 1 92 92 THR H H 92 9.251 9.251 8.252 0.999 25461 8001 1 20 . 1 1 93 93 GLY N N 93 112.211 112.211 110.374 1.837 25461 8002 1 20 . 1 1 93 93 GLY C C 93 174.132 174.132 173.689 0.443 25461 8003 1 20 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.068 0.603 25461 8004 1 20 . 1 1 93 93 GLY H H 93 8.682 8.682 8.271 0.411 25461 8005 1 20 . 1 1 94 94 SER N N 94 111.808 111.808 115.023 -3.215 25461 8006 1 20 . 1 1 94 94 SER HA H 94 4.784 4.784 4.832 -0.048 25461 8007 1 20 . 1 1 94 94 SER C C 94 173.862 173.862 174.237 -0.375 25461 8008 1 20 . 1 1 94 94 SER CA C 94 56.221 56.221 57.461 -1.240 25461 8009 1 20 . 1 1 94 94 SER CB C 94 64.454 64.454 66.422 -1.968 25461 8010 1 20 . 1 1 94 94 SER H H 94 8.058 8.058 7.397 0.661 25461 8011 1 20 . 1 1 95 95 VAL N N 95 129.818 129.818 125.980 3.838 25461 8012 1 20 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.605 -0.248 25461 8013 1 20 . 1 1 95 95 VAL C C 95 176.909 176.909 177.656 -0.747 25461 8014 1 20 . 1 1 95 95 VAL CA C 95 66.806 66.806 67.369 -0.563 25461 8015 1 20 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.709 0.611 25461 8016 1 20 . 1 1 95 95 VAL H H 95 8.983 8.983 8.972 0.011 25461 8017 1 20 . 1 1 96 96 GLU N N 96 117.745 117.745 119.405 -1.660 25461 8018 1 20 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.998 -0.174 25461 8019 1 20 . 1 1 96 96 GLU C C 96 179.126 179.126 178.310 0.816 25461 8020 1 20 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.662 1.163 25461 8021 1 20 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.693 0.316 25461 8022 1 20 . 1 1 96 96 GLU H H 96 8.673 8.673 8.600 0.073 25461 8023 1 20 . 1 1 97 97 GLU N N 97 120.049 120.049 120.006 0.043 25461 8024 1 20 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.107 0.039 25461 8025 1 20 . 1 1 97 97 GLU C C 97 178.947 178.947 178.941 0.006 25461 8026 1 20 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.401 -0.460 25461 8027 1 20 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.977 0.767 25461 8028 1 20 . 1 1 97 97 GLU H H 97 8.125 8.125 8.647 -0.522 25461 8029 1 20 . 1 1 98 98 THR N N 98 118.623 118.623 116.607 2.016 25461 8030 1 20 . 1 1 98 98 THR HA H 98 3.805 3.805 4.006 -0.201 25461 8031 1 20 . 1 1 98 98 THR C C 98 175.676 175.676 176.681 -1.005 25461 8032 1 20 . 1 1 98 98 THR CA C 98 70.162 70.162 67.212 2.950 25461 8033 1 20 . 1 1 98 98 THR CB C 98 69.317 69.317 68.878 0.439 25461 8034 1 20 . 1 1 98 98 THR H H 98 8.038 8.038 7.537 0.501 25461 8035 1 20 . 1 1 99 99 VAL N N 99 120.683 120.683 121.447 -0.764 25461 8036 1 20 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.697 -0.156 25461 8037 1 20 . 1 1 99 99 VAL C C 99 177.456 177.456 177.622 -0.166 25461 8038 1 20 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.764 1.160 25461 8039 1 20 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.489 0.077 25461 8040 1 20 . 1 1 99 99 VAL H H 99 8.724 8.724 8.265 0.459 25461 8041 1 20 . 1 1 100 100 GLU N N 100 120.914 120.914 119.837 1.077 25461 8042 1 20 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.121 -0.107 25461 8043 1 20 . 1 1 100 100 GLU C C 100 179.857 179.857 178.785 1.072 25461 8044 1 20 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.846 0.374 25461 8045 1 20 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.593 -0.385 25461 8046 1 20 . 1 1 100 100 GLU H H 100 8.324 8.324 8.428 -0.104 25461 8047 1 20 . 1 1 101 101 ARG N N 101 118.451 118.451 117.239 1.212 25461 8048 1 20 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.236 -0.363 25461 8049 1 20 . 1 1 101 101 ARG C C 101 178.078 178.078 178.248 -0.170 25461 8050 1 20 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.837 1.141 25461 8051 1 20 . 1 1 101 101 ARG CB C 101 29.946 29.946 30.132 -0.186 25461 8052 1 20 . 1 1 101 101 ARG H H 101 8.197 8.197 8.229 -0.032 25461 8053 1 20 . 1 1 102 102 TYR N N 102 119.888 119.888 123.848 -3.960 25461 8054 1 20 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.391 0.084 25461 8055 1 20 . 1 1 102 102 TYR C C 102 180.056 180.056 177.915 2.141 25461 8056 1 20 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.491 0.035 25461 8057 1 20 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.485 -0.969 25461 8058 1 20 . 1 1 102 102 TYR H H 102 8.180 8.180 8.212 -0.032 25461 8059 1 20 . 1 1 103 103 LEU N N 103 122.091 122.091 117.850 4.241 25461 8060 1 20 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.840 -0.009 25461 8061 1 20 . 1 1 103 103 LEU C C 103 178.973 178.973 177.909 1.064 25461 8062 1 20 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.222 0.203 25461 8063 1 20 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.306 0.316 25461 8064 1 20 . 1 1 103 103 LEU H H 103 9.050 9.050 8.112 0.938 25461 8065 1 20 . 1 1 104 104 ARG N N 104 116.388 116.388 120.432 -4.044 25461 8066 1 20 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.317 0.059 25461 8067 1 20 . 1 1 104 104 ARG C C 104 176.877 176.877 177.256 -0.379 25461 8068 1 20 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.363 0.209 25461 8069 1 20 . 1 1 104 104 ARG CB C 104 30.478 30.478 31.018 -0.540 25461 8070 1 20 . 1 1 104 104 ARG H H 104 7.888 7.888 7.873 0.015 25461 8071 1 20 . 1 1 105 105 GLY N N 105 107.432 107.432 109.259 -1.827 25461 8072 1 20 . 1 1 105 105 GLY C C 105 174.796 174.796 174.481 0.315 25461 8073 1 20 . 1 1 105 105 GLY CA C 105 45.332 45.332 44.872 0.460 25461 8074 1 20 . 1 1 105 105 GLY H H 105 7.688 7.688 8.017 -0.329 25461 8075 1 20 . 1 1 106 106 ASP N N 106 121.505 121.505 121.250 0.255 25461 8076 1 20 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.608 -0.227 25461 8077 1 20 . 1 1 106 106 ASP C C 106 175.595 175.595 176.756 -1.161 25461 8078 1 20 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.373 0.664 25461 8079 1 20 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.366 -1.795 25461 8080 1 20 . 1 1 106 106 ASP H H 106 7.878 7.878 7.949 -0.071 25461 8081 1 20 . 1 1 107 107 GLU N N 107 119.581 119.581 117.930 1.651 25461 8082 1 20 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.439 -0.057 25461 8083 1 20 . 1 1 107 107 GLU C C 107 177.123 177.123 175.431 1.692 25461 8084 1 20 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.812 -0.337 25461 8085 1 20 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.158 0.364 25461 8086 1 20 . 1 1 107 107 GLU H H 107 8.394 8.394 8.413 -0.019 25461 8087 1 20 . 1 1 108 108 PHE N N 108 126.975 126.975 122.825 4.150 25461 8088 1 20 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.879 -0.257 25461 8089 1 20 . 1 1 108 108 PHE C C 108 176.186 176.186 175.452 0.734 25461 8090 1 20 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.346 -0.116 25461 8091 1 20 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.618 -0.374 25461 8092 1 20 . 1 1 108 108 PHE H H 108 9.373 9.373 8.767 0.606 25461 8093 1 20 . 1 1 109 109 SER N N 109 121.198 121.198 118.992 2.206 25461 8094 1 20 . 1 1 109 109 SER HA H 109 4.582 4.582 4.732 -0.150 25461 8095 1 20 . 1 1 109 109 SER C C 109 175.060 175.060 173.012 2.048 25461 8096 1 20 . 1 1 109 109 SER CA C 109 58.928 58.928 57.649 1.279 25461 8097 1 20 . 1 1 109 109 SER CB C 109 64.213 64.213 64.731 -0.518 25461 8098 1 20 . 1 1 109 109 SER H H 109 8.694 8.694 8.361 0.333 25461 8099 1 20 . 1 1 110 110 PHE N N 110 121.734 121.734 119.581 2.153 25461 8100 1 20 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.449 -0.262 25461 8101 1 20 . 1 1 110 110 PHE C C 110 172.930 172.930 173.700 -0.770 25461 8102 1 20 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.526 2.223 25461 8103 1 20 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.235 -0.738 25461 8104 1 20 . 1 1 110 110 PHE H H 110 8.965 8.965 8.302 0.663 25461 8105 1 20 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.463 -0.114 25461 8106 1 20 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.174 -0.102 25461 8107 1 20 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.252 0.066 25461 8108 1 20 . 1 1 112 112 PRO C C 112 177.703 177.703 178.233 -0.530 25461 8109 1 20 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.344 0.245 25461 8110 1 20 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.795 -0.037 25461 8111 1 20 . 1 1 113 113 GLY N N 113 110.960 110.960 110.351 0.609 25461 8112 1 20 . 1 1 113 113 GLY C C 113 174.074 174.074 175.086 -1.012 25461 8113 1 20 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.387 -0.227 25461 8114 1 20 . 1 1 113 113 GLY H H 113 8.682 8.682 8.711 -0.029 25461 8115 1 20 . 1 1 114 114 PHE N N 114 120.992 120.992 120.492 0.500 25461 8116 1 20 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.469 -0.159 25461 8117 1 20 . 1 1 114 114 PHE C C 114 174.567 174.567 176.316 -1.749 25461 8118 1 20 . 1 1 114 114 PHE CA C 114 59.324 59.324 58.958 0.366 25461 8119 1 20 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.929 0.220 25461 8120 1 20 . 1 1 114 114 PHE H H 114 7.771 7.771 7.984 -0.213 25461 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 66 2.214 0.126 2.228 25461 2 1 1 "Average Difference" HA 81 0.227 0.038 0.225 25461 3 1 1 "Average Difference" C 72 0.936 -0.167 0.928 25461 4 1 1 "Average Difference" CA 73 0.881 -0.350 0.815 25461 5 1 1 "Average Difference" CB 64 0.998 -0.156 0.994 25461 6 1 1 "Average Difference" HN 66 0.623 -0.109 0.618 25461 7 1 2 "Average Difference" N 66 2.392 -0.348 2.385 25461 8 1 2 "Average Difference" HA 81 0.234 0.064 0.226 25461 9 1 2 "Average Difference" C 72 1.068 -0.265 1.042 25461 10 1 2 "Average Difference" CA 73 0.902 -0.286 0.861 25461 11 1 2 "Average Difference" CB 64 1.021 -0.058 1.027 25461 12 1 2 "Average Difference" HN 66 0.607 -0.128 0.598 25461 13 1 3 "Average Difference" N 66 2.279 -0.197 2.288 25461 14 1 3 "Average Difference" HA 81 0.253 0.069 0.246 25461 15 1 3 "Average Difference" C 72 1.068 -0.238 1.048 25461 16 1 3 "Average Difference" CA 73 0.889 -0.262 0.855 25461 17 1 3 "Average Difference" CB 64 0.957 -0.075 0.962 25461 18 1 3 "Average Difference" HN 66 0.563 -0.128 0.552 25461 19 1 4 "Average Difference" N 66 2.384 -0.154 2.398 25461 20 1 4 "Average Difference" HA 81 0.217 0.070 0.207 25461 21 1 4 "Average Difference" C 72 1.030 -0.301 0.992 25461 22 1 4 "Average Difference" CA 73 0.844 -0.245 0.813 25461 23 1 4 "Average Difference" CB 64 1.057 -0.146 1.055 25461 24 1 4 "Average Difference" HN 66 0.596 -0.145 0.582 25461 25 1 5 "Average Difference" N 66 2.372 -0.077 2.389 25461 26 1 5 "Average Difference" HA 81 0.245 0.022 0.246 25461 27 1 5 "Average Difference" C 72 0.931 -0.110 0.931 25461 28 1 5 "Average Difference" CA 73 0.918 -0.243 0.891 25461 29 1 5 "Average Difference" CB 64 1.034 -0.257 1.010 25461 30 1 5 "Average Difference" HN 66 0.665 -0.149 0.653 25461 31 1 6 "Average Difference" N 66 2.653 -0.431 2.638 25461 32 1 6 "Average Difference" HA 81 0.243 0.055 0.238 25461 33 1 6 "Average Difference" C 72 0.923 -0.153 0.917 25461 34 1 6 "Average Difference" CA 73 0.813 -0.280 0.769 25461 35 1 6 "Average Difference" CB 64 0.998 -0.191 0.987 25461 36 1 6 "Average Difference" HN 66 0.603 -0.111 0.597 25461 37 1 7 "Average Difference" N 66 2.197 -0.160 2.208 25461 38 1 7 "Average Difference" HA 81 0.238 0.061 0.231 25461 39 1 7 "Average Difference" C 72 1.085 -0.305 1.049 25461 40 1 7 "Average Difference" CA 73 0.937 -0.290 0.897 25461 41 1 7 "Average Difference" CB 64 0.947 -0.067 0.952 25461 42 1 7 "Average Difference" HN 66 0.613 -0.174 0.593 25461 43 1 8 "Average Difference" N 66 2.617 -0.246 2.625 25461 44 1 8 "Average Difference" HA 81 0.230 0.082 0.216 25461 45 1 8 "Average Difference" C 72 1.010 -0.311 0.968 25461 46 1 8 "Average Difference" CA 73 0.878 -0.349 0.811 25461 47 1 8 "Average Difference" CB 64 1.176 -0.127 1.179 25461 48 1 8 "Average Difference" HN 66 0.638 -0.150 0.625 25461 49 1 9 "Average Difference" N 66 2.667 -0.381 2.660 25461 50 1 9 "Average Difference" HA 81 0.256 0.065 0.249 25461 51 1 9 "Average Difference" C 72 1.064 -0.302 1.027 25461 52 1 9 "Average Difference" CA 73 0.863 -0.284 0.821 25461 53 1 9 "Average Difference" CB 64 1.008 -0.040 1.015 25461 54 1 9 "Average Difference" HN 66 0.641 -0.089 0.640 25461 55 1 10 "Average Difference" N 66 2.074 -0.139 2.085 25461 56 1 10 "Average Difference" HA 81 0.286 0.058 0.282 25461 57 1 10 "Average Difference" C 72 1.022 -0.245 0.999 25461 58 1 10 "Average Difference" CA 73 0.896 -0.308 0.847 25461 59 1 10 "Average Difference" CB 64 1.013 -0.077 1.018 25461 60 1 10 "Average Difference" HN 66 0.638 -0.095 0.636 25461 61 1 11 "Average Difference" N 66 2.414 -0.124 2.429 25461 62 1 11 "Average Difference" HA 81 0.228 0.043 0.225 25461 63 1 11 "Average Difference" C 72 1.069 -0.318 1.028 25461 64 1 11 "Average Difference" CA 73 0.952 -0.332 0.898 25461 65 1 11 "Average Difference" CB 64 0.899 -0.109 0.899 25461 66 1 11 "Average Difference" HN 66 0.603 -0.121 0.595 25461 67 1 12 "Average Difference" N 66 2.388 -0.027 2.406 25461 68 1 12 "Average Difference" HA 81 0.233 0.060 0.226 25461 69 1 12 "Average Difference" C 72 0.969 -0.227 0.949 25461 70 1 12 "Average Difference" CA 73 0.846 -0.282 0.803 25461 71 1 12 "Average Difference" CB 64 0.846 -0.084 0.848 25461 72 1 12 "Average Difference" HN 66 0.585 -0.110 0.579 25461 73 1 13 "Average Difference" N 66 2.242 -0.014 2.259 25461 74 1 13 "Average Difference" HA 81 0.226 0.090 0.208 25461 75 1 13 "Average Difference" C 72 1.010 -0.275 0.979 25461 76 1 13 "Average Difference" CA 73 0.837 -0.323 0.777 25461 77 1 13 "Average Difference" CB 64 0.947 -0.040 0.954 25461 78 1 13 "Average Difference" HN 66 0.625 -0.126 0.617 25461 79 1 14 "Average Difference" N 66 2.371 -0.170 2.383 25461 80 1 14 "Average Difference" HA 81 0.231 0.053 0.226 25461 81 1 14 "Average Difference" C 72 1.020 -0.259 0.993 25461 82 1 14 "Average Difference" CA 73 0.870 -0.368 0.794 25461 83 1 14 "Average Difference" CB 64 0.914 -0.050 0.920 25461 84 1 14 "Average Difference" HN 66 0.595 -0.121 0.587 25461 85 1 15 "Average Difference" N 66 2.421 -0.101 2.437 25461 86 1 15 "Average Difference" HA 81 0.240 0.060 0.234 25461 87 1 15 "Average Difference" C 72 0.964 -0.201 0.950 25461 88 1 15 "Average Difference" CA 73 0.927 -0.366 0.857 25461 89 1 15 "Average Difference" CB 64 1.003 -0.197 0.991 25461 90 1 15 "Average Difference" HN 66 0.613 -0.112 0.607 25461 91 1 16 "Average Difference" N 66 2.335 0.024 2.353 25461 92 1 16 "Average Difference" HA 81 0.228 0.027 0.228 25461 93 1 16 "Average Difference" C 72 0.972 -0.084 0.975 25461 94 1 16 "Average Difference" CA 73 0.848 -0.280 0.807 25461 95 1 16 "Average Difference" CB 64 0.951 -0.118 0.951 25461 96 1 16 "Average Difference" HN 66 0.598 -0.149 0.583 25461 97 1 17 "Average Difference" N 66 2.418 0.068 2.435 25461 98 1 17 "Average Difference" HA 81 0.226 0.063 0.219 25461 99 1 17 "Average Difference" C 72 0.975 -0.187 0.964 25461 100 1 17 "Average Difference" CA 73 0.865 -0.249 0.834 25461 101 1 17 "Average Difference" CB 64 1.054 -0.178 1.047 25461 102 1 17 "Average Difference" HN 66 0.598 -0.122 0.590 25461 103 1 18 "Average Difference" N 66 2.591 0.067 2.610 25461 104 1 18 "Average Difference" HA 81 0.251 0.058 0.246 25461 105 1 18 "Average Difference" C 72 1.029 -0.246 1.006 25461 106 1 18 "Average Difference" CA 73 0.878 -0.295 0.833 25461 107 1 18 "Average Difference" CB 64 1.097 -0.035 1.105 25461 108 1 18 "Average Difference" HN 66 0.633 -0.107 0.629 25461 109 1 19 "Average Difference" N 66 2.220 -0.122 2.234 25461 110 1 19 "Average Difference" HA 81 0.229 0.067 0.220 25461 111 1 19 "Average Difference" C 72 1.011 -0.225 0.992 25461 112 1 19 "Average Difference" CA 73 0.930 -0.319 0.880 25461 113 1 19 "Average Difference" CB 64 0.944 -0.047 0.950 25461 114 1 19 "Average Difference" HN 66 0.622 -0.149 0.609 25461 115 1 20 "Average Difference" N 66 2.491 -0.388 2.480 25461 116 1 20 "Average Difference" HA 81 0.198 0.023 0.198 25461 117 1 20 "Average Difference" C 72 0.977 -0.173 0.968 25461 118 1 20 "Average Difference" CA 73 0.910 -0.221 0.889 25461 119 1 20 "Average Difference" CB 64 0.938 -0.120 0.938 25461 120 1 20 "Average Difference" HN 66 0.598 -0.115 0.591 25461 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 25461 _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 42 42 ALA HA H 42 4.357 4.357 4.772 -0.415 25461 2 1 . 1 1 42 42 ALA C C 42 177.825 177.825 177.602 0.223 25461 3 1 . 1 1 42 42 ALA CA C 42 52.674 52.674 52.551 0.123 25461 4 1 . 1 1 42 42 ALA CB C 42 19.452 19.452 19.584 -0.131 25461 5 1 . 1 1 43 43 MET N N 43 119.667 119.667 118.931 0.736 25461 6 1 . 1 1 43 43 MET HA H 43 4.549 4.549 4.671 -0.122 25461 7 1 . 1 1 43 43 MET C C 43 176.478 176.478 176.045 0.433 25461 8 1 . 1 1 43 43 MET CA C 43 55.344 55.344 55.369 -0.025 25461 9 1 . 1 1 43 43 MET CB C 43 33.129 33.129 33.451 -0.322 25461 10 1 . 1 1 43 43 MET H H 43 8.507 8.507 8.538 -0.031 25461 11 1 . 1 1 44 44 GLY N N 44 110.244 110.244 109.479 0.765 25461 12 1 . 1 1 44 44 GLY C C 44 172.009 172.009 172.654 -0.645 25461 13 1 . 1 1 44 44 GLY CA C 44 44.642 44.642 44.670 -0.028 25461 14 1 . 1 1 44 44 GLY H H 44 8.251 8.251 8.395 -0.144 25461 15 1 . 1 1 45 45 PRO HA H 45 4.433 4.433 4.503 -0.070 25461 16 1 . 1 1 45 45 PRO C C 45 177.510 177.510 176.452 1.058 25461 17 1 . 1 1 45 45 PRO CA C 45 63.405 63.405 62.956 0.449 25461 18 1 . 1 1 45 45 PRO CB C 45 32.106 32.106 32.353 -0.247 25461 19 1 . 1 1 46 46 GLN N N 46 120.607 120.607 119.623 0.984 25461 20 1 . 1 1 46 46 GLN HA H 46 4.346 4.346 4.412 -0.065 25461 21 1 . 1 1 46 46 GLN C C 46 176.687 176.687 175.716 0.971 25461 22 1 . 1 1 46 46 GLN CA C 46 56.056 56.056 55.582 0.474 25461 23 1 . 1 1 46 46 GLN CB C 46 29.423 29.423 29.653 -0.230 25461 24 1 . 1 1 46 46 GLN H H 46 8.628 8.628 8.329 0.299 25461 25 1 . 1 1 47 47 GLY N N 47 110.011 110.011 109.470 0.541 25461 26 1 . 1 1 47 47 GLY C C 47 174.308 174.308 173.732 0.576 25461 27 1 . 1 1 47 47 GLY CA C 47 45.434 45.434 44.998 0.436 25461 28 1 . 1 1 47 47 GLY H H 47 8.411 8.411 8.338 0.073 25461 29 1 . 1 1 48 48 SER N N 48 115.646 115.646 116.068 -0.422 25461 30 1 . 1 1 48 48 SER HA H 48 4.542 4.542 4.696 -0.154 25461 31 1 . 1 1 48 48 SER C C 48 175.288 175.288 174.062 1.226 25461 32 1 . 1 1 48 48 SER CA C 48 58.437 58.437 57.980 0.457 25461 33 1 . 1 1 48 48 SER CB C 48 63.965 63.965 64.380 -0.415 25461 34 1 . 1 1 48 48 SER H H 48 8.284 8.284 8.268 0.016 25461 35 1 . 1 1 49 49 THR N N 49 115.928 115.928 115.528 0.400 25461 36 1 . 1 1 49 49 THR HA H 49 4.343 4.343 4.365 -0.022 25461 37 1 . 1 1 49 49 THR C C 49 174.948 174.948 173.805 1.143 25461 38 1 . 1 1 49 49 THR CA C 49 62.294 62.294 62.418 -0.124 25461 39 1 . 1 1 49 49 THR CB C 49 69.614 69.614 69.187 0.427 25461 40 1 . 1 1 49 49 THR H H 49 8.282 8.282 8.213 0.069 25461 41 1 . 1 1 50 50 GLN N N 50 122.155 122.155 122.196 -0.041 25461 42 1 . 1 1 50 50 GLN HA H 50 4.387 4.387 4.410 -0.023 25461 43 1 . 1 1 50 50 GLN C C 50 176.071 176.071 174.883 1.188 25461 44 1 . 1 1 50 50 GLN CA C 50 56.390 56.390 55.700 0.690 25461 45 1 . 1 1 50 50 GLN CB C 50 29.226 29.226 29.249 -0.023 25461 46 1 . 1 1 50 50 GLN H H 50 8.401 8.401 8.401 -0.000 25461 47 1 . 1 1 51 51 ASN N N 51 119.604 119.604 118.950 0.653 25461 48 1 . 1 1 51 51 ASN HA H 51 4.638 4.638 4.714 -0.076 25461 49 1 . 1 1 51 51 ASN C C 51 175.275 175.275 174.728 0.547 25461 50 1 . 1 1 51 51 ASN CA C 51 53.650 53.650 53.176 0.474 25461 51 1 . 1 1 51 51 ASN CB C 51 38.857 38.857 38.996 -0.139 25461 52 1 . 1 1 51 51 ASN H H 51 8.395 8.395 8.356 0.039 25461 53 1 . 1 1 52 52 ALA N N 52 124.054 124.054 123.998 0.056 25461 54 1 . 1 1 52 52 ALA HA H 52 4.262 4.262 4.496 -0.234 25461 55 1 . 1 1 52 52 ALA C C 52 177.915 177.915 176.371 1.544 25461 56 1 . 1 1 52 52 ALA CA C 52 53.091 53.091 52.044 1.047 25461 57 1 . 1 1 52 52 ALA CB C 52 19.174 19.174 19.343 -0.169 25461 58 1 . 1 1 52 52 ALA H H 52 8.227 8.227 8.220 0.006 25461 59 1 . 1 1 53 53 LEU N N 53 120.325 120.325 120.339 -0.014 25461 60 1 . 1 1 53 53 LEU HA H 53 4.292 4.292 4.628 -0.336 25461 61 1 . 1 1 53 53 LEU C C 53 177.531 177.531 176.447 1.084 25461 62 1 . 1 1 53 53 LEU CA C 53 55.443 55.443 54.509 0.934 25461 63 1 . 1 1 53 53 LEU CB C 53 42.207 42.207 43.338 -1.131 25461 64 1 . 1 1 53 53 LEU H H 53 8.097 8.097 8.140 -0.043 25461 65 1 . 1 1 54 54 ARG N N 54 121.409 121.409 121.292 0.117 25461 66 1 . 1 1 54 54 ARG HA H 54 4.333 4.333 4.335 -0.002 25461 67 1 . 1 1 54 54 ARG C C 54 176.332 176.332 175.865 0.467 25461 68 1 . 1 1 54 54 ARG CA C 54 56.187 56.187 56.275 -0.088 25461 69 1 . 1 1 54 54 ARG CB C 54 30.736 30.736 30.444 0.292 25461 70 1 . 1 1 54 54 ARG H H 54 8.155 8.155 8.345 -0.190 25461 71 1 . 1 1 55 55 ARG N N 55 122.380 122.380 122.221 0.159 25461 72 1 . 1 1 55 55 ARG HA H 55 4.418 4.418 4.344 0.074 25461 73 1 . 1 1 55 55 ARG C C 55 176.563 176.563 175.928 0.635 25461 74 1 . 1 1 55 55 ARG CA C 55 56.289 56.289 56.553 -0.264 25461 75 1 . 1 1 55 55 ARG CB C 55 30.838 30.838 30.232 0.606 25461 76 1 . 1 1 55 55 ARG H H 55 8.389 8.389 8.450 -0.061 25461 77 1 . 1 1 56 56 THR N N 56 114.693 114.693 115.052 -0.359 25461 78 1 . 1 1 56 56 THR HA H 56 4.372 4.372 4.420 -0.048 25461 79 1 . 1 1 56 56 THR C C 56 175.062 175.062 174.660 0.402 25461 80 1 . 1 1 56 56 THR CA C 56 61.926 61.926 61.979 -0.053 25461 81 1 . 1 1 56 56 THR CB C 56 70.016 70.016 69.686 0.330 25461 82 1 . 1 1 56 56 THR H H 56 8.204 8.204 8.156 0.048 25461 83 1 . 1 1 57 57 GLY N N 57 111.042 111.042 110.620 0.422 25461 84 1 . 1 1 57 57 GLY C C 57 173.868 173.868 173.866 0.002 25461 85 1 . 1 1 57 57 GLY CA C 57 45.291 45.291 44.949 0.342 25461 86 1 . 1 1 57 57 GLY H H 57 8.424 8.424 8.259 0.165 25461 87 1 . 1 1 58 58 ARG N N 58 120.824 120.824 120.097 0.727 25461 88 1 . 1 1 58 58 ARG HA H 58 4.386 4.386 4.438 -0.052 25461 89 1 . 1 1 58 58 ARG C C 58 176.522 176.522 175.895 0.627 25461 90 1 . 1 1 58 58 ARG CA C 58 56.111 56.111 55.615 0.496 25461 91 1 . 1 1 58 58 ARG CB C 58 31.074 31.074 30.653 0.422 25461 92 1 . 1 1 58 58 ARG H H 58 8.232 8.232 8.263 -0.031 25461 93 1 . 1 1 59 59 VAL N N 59 121.437 121.437 120.946 0.491 25461 94 1 . 1 1 59 59 VAL HA H 59 4.120 4.120 4.144 -0.024 25461 95 1 . 1 1 59 59 VAL C C 59 176.022 176.022 175.545 0.477 25461 96 1 . 1 1 59 59 VAL CA C 59 62.413 62.413 62.140 0.273 25461 97 1 . 1 1 59 59 VAL CB C 59 32.815 32.815 32.497 0.319 25461 98 1 . 1 1 59 59 VAL H H 59 8.307 8.307 8.180 0.127 25461 99 1 . 1 1 60 60 ASN N N 60 122.487 122.487 121.007 1.480 25461 100 1 . 1 1 60 60 ASN HA H 60 4.737 4.737 4.765 -0.028 25461 101 1 . 1 1 60 60 ASN C C 60 175.521 175.521 175.171 0.350 25461 102 1 . 1 1 60 60 ASN CA C 60 53.375 53.375 53.403 -0.028 25461 103 1 . 1 1 60 60 ASN CB C 60 39.098 39.098 39.237 -0.139 25461 104 1 . 1 1 60 60 ASN H H 60 8.593 8.593 8.349 0.244 25461 105 1 . 1 1 61 61 GLY N N 61 109.681 109.681 107.719 1.962 25461 106 1 . 1 1 61 61 GLY C C 61 174.361 174.361 173.780 0.581 25461 107 1 . 1 1 61 61 GLY CA C 61 45.499 45.499 44.975 0.524 25461 108 1 . 1 1 61 61 GLY H H 61 8.407 8.407 8.345 0.062 25461 109 1 . 1 1 62 62 GLY N N 62 108.197 108.197 108.928 -0.731 25461 110 1 . 1 1 62 62 GLY C C 62 173.866 173.866 173.208 0.658 25461 111 1 . 1 1 62 62 GLY CA C 62 45.112 45.112 44.779 0.333 25461 112 1 . 1 1 62 62 GLY H H 62 8.209 8.209 7.815 0.394 25461 113 1 . 1 1 63 63 HIS N N 63 121.370 121.370 120.142 1.228 25461 114 1 . 1 1 63 63 HIS HA H 63 4.799 4.799 4.952 -0.153 25461 115 1 . 1 1 63 63 HIS C C 63 173.562 173.562 173.743 -0.181 25461 116 1 . 1 1 63 63 HIS CA C 63 54.846 54.846 54.012 0.834 25461 117 1 . 1 1 63 63 HIS CB C 63 30.172 30.172 31.580 -1.408 25461 118 1 . 1 1 63 63 HIS H H 63 8.587 8.587 8.267 0.320 25461 119 1 . 1 1 64 64 PRO HA H 64 4.461 4.461 4.534 -0.073 25461 120 1 . 1 1 64 64 PRO C C 64 176.406 176.406 176.290 0.116 25461 121 1 . 1 1 64 64 PRO CA C 64 63.088 63.088 62.980 0.108 25461 122 1 . 1 1 64 64 PRO CB C 64 32.003 32.003 32.137 -0.134 25461 123 1 . 1 1 65 65 VAL N N 65 122.214 122.214 118.092 4.122 25461 124 1 . 1 1 65 65 VAL HA H 65 4.354 4.354 4.713 -0.359 25461 125 1 . 1 1 65 65 VAL C C 65 176.217 176.217 175.425 0.792 25461 126 1 . 1 1 65 65 VAL CA C 65 62.233 62.233 59.561 2.672 25461 127 1 . 1 1 65 65 VAL CB C 65 34.354 34.354 34.544 -0.190 25461 128 1 . 1 1 65 65 VAL H H 65 8.436 8.436 8.201 0.235 25461 129 1 . 1 1 66 66 THR N N 66 118.215 118.215 113.484 4.731 25461 130 1 . 1 1 66 66 THR HA H 66 4.844 4.844 4.744 0.100 25461 131 1 . 1 1 66 66 THR C C 66 175.632 175.632 175.119 0.513 25461 132 1 . 1 1 66 66 THR CA C 66 59.250 59.250 59.963 -0.713 25461 133 1 . 1 1 66 66 THR CB C 66 71.632 71.632 71.403 0.229 25461 134 1 . 1 1 66 66 THR H H 66 7.765 7.765 8.077 -0.312 25461 135 1 . 1 1 67 67 THR N N 67 116.809 116.809 117.241 -0.432 25461 136 1 . 1 1 67 67 THR HA H 67 3.846 3.846 3.921 -0.075 25461 137 1 . 1 1 67 67 THR C C 67 176.323 176.323 176.413 -0.090 25461 138 1 . 1 1 67 67 THR CA C 67 66.206 66.206 66.316 -0.110 25461 139 1 . 1 1 67 67 THR CB C 67 68.417 68.417 68.537 -0.120 25461 140 1 . 1 1 67 67 THR H H 67 8.901 8.901 8.558 0.343 25461 141 1 . 1 1 68 68 GLN N N 68 120.255 120.255 119.693 0.562 25461 142 1 . 1 1 68 68 GLN HA H 68 4.083 4.083 4.154 -0.071 25461 143 1 . 1 1 68 68 GLN C C 68 179.056 179.056 178.173 0.883 25461 144 1 . 1 1 68 68 GLN CA C 68 59.654 59.654 58.710 0.944 25461 145 1 . 1 1 68 68 GLN CB C 68 27.931 27.931 27.752 0.179 25461 146 1 . 1 1 68 68 GLN H H 68 8.290 8.290 8.836 -0.546 25461 147 1 . 1 1 69 69 MET N N 69 120.434 120.434 119.133 1.300 25461 148 1 . 1 1 69 69 MET HA H 69 3.918 3.918 4.163 -0.245 25461 149 1 . 1 1 69 69 MET C C 69 177.390 177.390 178.245 -0.855 25461 150 1 . 1 1 69 69 MET CA C 69 59.757 59.757 58.987 0.770 25461 151 1 . 1 1 69 69 MET CB C 69 35.178 35.178 32.434 2.744 25461 152 1 . 1 1 69 69 MET H H 69 7.718 7.718 7.787 -0.069 25461 153 1 . 1 1 70 70 VAL N N 70 118.137 118.137 119.378 -1.241 25461 154 1 . 1 1 70 70 VAL HA H 70 3.334 3.334 3.539 -0.205 25461 155 1 . 1 1 70 70 VAL C C 70 177.985 177.985 178.015 -0.030 25461 156 1 . 1 1 70 70 VAL CA C 70 66.374 66.374 66.795 -0.421 25461 157 1 . 1 1 70 70 VAL CB C 70 31.689 31.689 30.990 0.699 25461 158 1 . 1 1 70 70 VAL H H 70 7.322 7.322 7.495 -0.173 25461 159 1 . 1 1 71 71 GLU N N 71 118.717 118.717 118.581 0.136 25461 160 1 . 1 1 71 71 GLU HA H 71 3.932 3.932 3.921 0.011 25461 161 1 . 1 1 71 71 GLU C C 71 178.984 178.984 179.041 -0.057 25461 162 1 . 1 1 71 71 GLU CA C 71 59.328 59.328 59.484 -0.156 25461 163 1 . 1 1 71 71 GLU CB C 71 29.582 29.582 28.851 0.731 25461 164 1 . 1 1 71 71 GLU H H 71 8.446 8.446 8.287 0.159 25461 165 1 . 1 1 72 72 THR N N 72 116.413 116.413 117.626 -1.213 25461 166 1 . 1 1 72 72 THR HA H 72 3.885 3.885 3.932 -0.047 25461 167 1 . 1 1 72 72 THR C C 72 176.837 176.837 176.706 0.131 25461 168 1 . 1 1 72 72 THR CA C 72 66.924 66.924 66.735 0.189 25461 169 1 . 1 1 72 72 THR CB C 72 68.594 68.594 68.558 0.036 25461 170 1 . 1 1 72 72 THR H H 72 8.055 8.055 7.960 0.095 25461 171 1 . 1 1 73 73 VAL N N 73 119.440 119.440 121.257 -1.817 25461 172 1 . 1 1 73 73 VAL HA H 73 3.361 3.361 3.482 -0.121 25461 173 1 . 1 1 73 73 VAL C C 73 177.119 177.119 177.712 -0.593 25461 174 1 . 1 1 73 73 VAL CA C 73 66.473 66.473 66.906 -0.433 25461 175 1 . 1 1 73 73 VAL CB C 73 30.913 30.913 31.232 -0.319 25461 176 1 . 1 1 73 73 VAL H H 73 7.521 7.521 7.793 -0.272 25461 177 1 . 1 1 74 74 GLN N N 74 120.105 120.105 119.007 1.098 25461 178 1 . 1 1 74 74 GLN HA H 74 3.641 3.641 3.884 -0.243 25461 179 1 . 1 1 74 74 GLN C C 74 177.761 177.761 178.281 -0.520 25461 180 1 . 1 1 74 74 GLN CA C 74 58.724 58.724 58.609 0.115 25461 181 1 . 1 1 74 74 GLN CB C 74 29.297 29.297 28.283 1.014 25461 182 1 . 1 1 74 74 GLN H H 74 8.884 8.884 8.398 0.486 25461 183 1 . 1 1 75 75 ASN N N 75 113.460 113.460 117.697 -4.237 25461 184 1 . 1 1 75 75 ASN HA H 75 4.362 4.362 4.435 -0.073 25461 185 1 . 1 1 75 75 ASN C C 75 176.122 176.122 177.600 -1.478 25461 186 1 . 1 1 75 75 ASN CA C 75 55.491 55.491 55.807 -0.316 25461 187 1 . 1 1 75 75 ASN CB C 75 38.972 38.972 38.574 0.398 25461 188 1 . 1 1 75 75 ASN H H 75 7.472 7.472 8.221 -0.750 25461 189 1 . 1 1 76 76 LEU N N 76 118.225 118.225 117.362 0.863 25461 190 1 . 1 1 76 76 LEU HA H 76 4.307 4.307 4.345 -0.038 25461 191 1 . 1 1 76 76 LEU C C 76 175.358 175.358 176.540 -1.182 25461 192 1 . 1 1 76 76 LEU CA C 76 55.378 55.378 56.160 -0.783 25461 193 1 . 1 1 76 76 LEU CB C 76 43.436 43.436 42.521 0.915 25461 194 1 . 1 1 76 76 LEU H H 76 7.130 7.130 7.618 -0.488 25461 195 1 . 1 1 77 77 ALA N N 77 122.753 122.753 119.191 3.562 25461 196 1 . 1 1 77 77 ALA HA H 77 4.446 4.446 4.472 -0.026 25461 197 1 . 1 1 77 77 ALA C C 77 173.976 173.976 174.997 -1.021 25461 198 1 . 1 1 77 77 ALA CA C 77 49.422 49.422 49.010 0.412 25461 199 1 . 1 1 77 77 ALA CB C 77 17.383 17.383 18.444 -1.061 25461 200 1 . 1 1 77 77 ALA H H 77 7.784 7.784 7.782 0.003 25461 201 1 . 1 1 78 78 PRO HA H 78 4.386 4.386 4.390 -0.004 25461 202 1 . 1 1 78 78 PRO C C 78 177.311 177.311 176.772 0.539 25461 203 1 . 1 1 78 78 PRO CA C 78 64.598 64.598 63.854 0.744 25461 204 1 . 1 1 78 78 PRO CB C 78 32.141 32.141 31.793 0.348 25461 205 1 . 1 1 79 79 ASN N N 79 111.571 111.571 115.944 -4.373 25461 206 1 . 1 1 79 79 ASN HA H 79 4.754 4.754 4.680 0.074 25461 207 1 . 1 1 79 79 ASN C C 79 175.765 175.765 175.328 0.437 25461 208 1 . 1 1 79 79 ASN CA C 79 53.162 53.162 53.378 -0.216 25461 209 1 . 1 1 79 79 ASN CB C 79 37.882 37.882 39.219 -1.337 25461 210 1 . 1 1 79 79 ASN H H 79 7.868 7.868 8.218 -0.350 25461 211 1 . 1 1 80 80 LEU N N 80 119.219 119.219 119.255 -0.036 25461 212 1 . 1 1 80 80 LEU HA H 80 4.368 4.368 4.337 0.031 25461 213 1 . 1 1 80 80 LEU C C 80 175.715 175.715 175.530 0.185 25461 214 1 . 1 1 80 80 LEU CA C 80 53.849 53.849 53.707 0.142 25461 215 1 . 1 1 80 80 LEU CB C 80 43.172 43.172 43.902 -0.730 25461 216 1 . 1 1 80 80 LEU H H 80 7.176 7.176 7.272 -0.096 25461 217 1 . 1 1 81 81 HIS N N 81 123.894 123.894 121.541 2.353 25461 218 1 . 1 1 81 81 HIS HA H 81 4.742 4.742 4.754 -0.012 25461 219 1 . 1 1 81 81 HIS C C 81 176.185 176.185 174.647 1.539 25461 220 1 . 1 1 81 81 HIS CA C 81 55.492 55.492 55.217 0.275 25461 221 1 . 1 1 81 81 HIS CB C 81 33.176 33.176 32.612 0.564 25461 222 1 . 1 1 81 81 HIS H H 81 9.023 9.023 8.382 0.641 25461 223 1 . 1 1 82 82 PRO HA H 82 4.013 4.013 4.278 -0.265 25461 224 1 . 1 1 82 82 PRO C C 82 178.774 178.774 178.375 0.399 25461 225 1 . 1 1 82 82 PRO CA C 82 66.395 66.395 65.347 1.048 25461 226 1 . 1 1 82 82 PRO CB C 82 32.035 32.035 32.152 -0.117 25461 227 1 . 1 1 83 83 GLU N N 83 120.128 120.128 118.956 1.172 25461 228 1 . 1 1 83 83 GLU HA H 83 4.410 4.410 4.225 0.185 25461 229 1 . 1 1 83 83 GLU C C 83 181.651 181.651 178.782 2.869 25461 230 1 . 1 1 83 83 GLU CA C 83 59.229 59.229 59.092 0.137 25461 231 1 . 1 1 83 83 GLU CB C 83 29.296 29.296 29.590 -0.294 25461 232 1 . 1 1 83 83 GLU H H 83 11.938 11.938 8.334 3.604 25461 233 1 . 1 1 84 84 GLN N N 84 117.052 117.052 119.470 -2.418 25461 234 1 . 1 1 84 84 GLN HA H 84 3.981 3.981 3.875 0.106 25461 235 1 . 1 1 84 84 GLN C C 84 179.958 179.958 178.677 1.281 25461 236 1 . 1 1 84 84 GLN CA C 84 58.950 58.950 58.620 0.330 25461 237 1 . 1 1 84 84 GLN CB C 84 30.670 30.670 28.457 2.212 25461 238 1 . 1 1 84 84 GLN H H 84 7.467 7.467 7.505 -0.038 25461 239 1 . 1 1 85 85 ILE N N 85 120.448 120.448 120.500 -0.052 25461 240 1 . 1 1 85 85 ILE HA H 85 3.333 3.333 3.675 -0.343 25461 241 1 . 1 1 85 85 ILE C C 85 176.960 176.960 177.698 -0.738 25461 242 1 . 1 1 85 85 ILE CA C 85 66.528 66.528 65.473 1.055 25461 243 1 . 1 1 85 85 ILE CB C 85 37.812 37.812 37.563 0.249 25461 244 1 . 1 1 85 85 ILE H H 85 7.750 7.750 7.700 0.050 25461 245 1 . 1 1 86 86 ARG N N 86 119.593 119.593 119.538 0.055 25461 246 1 . 1 1 86 86 ARG HA H 86 3.723 3.723 3.888 -0.165 25461 247 1 . 1 1 86 86 ARG C C 86 177.115 177.115 178.332 -1.217 25461 248 1 . 1 1 86 86 ARG CA C 86 60.819 60.819 59.573 1.247 25461 249 1 . 1 1 86 86 ARG CB C 86 30.226 30.226 29.628 0.598 25461 250 1 . 1 1 86 86 ARG H H 86 8.868 8.868 7.756 1.112 25461 251 1 . 1 1 87 87 TYR N N 87 116.869 116.869 120.120 -3.251 25461 252 1 . 1 1 87 87 TYR HA H 87 4.500 4.500 4.378 0.122 25461 253 1 . 1 1 87 87 TYR C C 87 177.597 177.597 178.011 -0.414 25461 254 1 . 1 1 87 87 TYR CA C 87 60.123 60.123 60.424 -0.301 25461 255 1 . 1 1 87 87 TYR CB C 87 38.435 38.435 38.150 0.285 25461 256 1 . 1 1 87 87 TYR H H 87 7.684 7.684 7.929 -0.245 25461 257 1 . 1 1 88 88 SER N N 88 110.655 110.655 116.069 -5.414 25461 258 1 . 1 1 88 88 SER HA H 88 4.155 4.155 3.908 0.247 25461 259 1 . 1 1 88 88 SER C C 88 177.666 177.666 176.697 0.969 25461 260 1 . 1 1 88 88 SER CA C 88 61.207 61.207 62.125 -0.918 25461 261 1 . 1 1 88 88 SER CB C 88 62.880 62.880 62.791 0.089 25461 262 1 . 1 1 88 88 SER H H 88 7.510 7.510 8.327 -0.817 25461 263 1 . 1 1 89 89 LEU N N 89 119.356 119.356 122.607 -3.251 25461 264 1 . 1 1 89 89 LEU HA H 89 4.193 4.193 4.114 0.079 25461 265 1 . 1 1 89 89 LEU C C 89 180.057 180.057 179.819 0.238 25461 266 1 . 1 1 89 89 LEU CA C 89 57.377 57.377 57.883 -0.506 25461 267 1 . 1 1 89 89 LEU CB C 89 43.345 43.345 41.648 1.697 25461 268 1 . 1 1 89 89 LEU H H 89 8.522 8.522 8.747 -0.225 25461 269 1 . 1 1 90 90 GLU N N 90 120.190 120.190 119.278 0.912 25461 270 1 . 1 1 90 90 GLU HA H 90 4.116 4.116 4.234 -0.118 25461 271 1 . 1 1 90 90 GLU C C 90 177.812 177.812 179.254 -1.442 25461 272 1 . 1 1 90 90 GLU CA C 90 59.042 59.042 59.416 -0.374 25461 273 1 . 1 1 90 90 GLU CB C 90 29.992 29.992 29.377 0.615 25461 274 1 . 1 1 90 90 GLU H H 90 8.511 8.511 8.013 0.498 25461 275 1 . 1 1 91 91 ASN N N 91 115.736 115.736 117.454 -1.719 25461 276 1 . 1 1 91 91 ASN HA H 91 4.686 4.686 4.515 0.171 25461 277 1 . 1 1 91 91 ASN C C 91 177.109 177.109 177.589 -0.480 25461 278 1 . 1 1 91 91 ASN CA C 91 55.690 55.690 55.954 -0.264 25461 279 1 . 1 1 91 91 ASN CB C 91 40.486 40.486 38.767 1.719 25461 280 1 . 1 1 91 91 ASN H H 91 7.465 7.465 7.877 -0.412 25461 281 1 . 1 1 92 92 THR N N 92 110.330 110.330 110.631 -0.301 25461 282 1 . 1 1 92 92 THR HA H 92 4.142 4.142 4.208 -0.066 25461 283 1 . 1 1 92 92 THR C C 92 176.599 176.599 176.157 0.442 25461 284 1 . 1 1 92 92 THR CA C 92 62.581 62.581 64.093 -1.513 25461 285 1 . 1 1 92 92 THR CB C 92 70.198 70.198 69.792 0.406 25461 286 1 . 1 1 92 92 THR H H 92 9.251 9.251 8.242 1.009 25461 287 1 . 1 1 93 93 GLY N N 93 112.211 112.211 110.804 1.407 25461 288 1 . 1 1 93 93 GLY C C 93 174.132 174.132 173.655 0.477 25461 289 1 . 1 1 93 93 GLY CA C 93 45.671 45.671 45.041 0.630 25461 290 1 . 1 1 93 93 GLY H H 93 8.682 8.682 8.223 0.459 25461 291 1 . 1 1 94 94 SER N N 94 111.808 111.808 114.958 -3.150 25461 292 1 . 1 1 94 94 SER HA H 94 4.784 4.784 4.735 0.049 25461 293 1 . 1 1 94 94 SER C C 94 173.862 173.862 174.501 -0.639 25461 294 1 . 1 1 94 94 SER CA C 94 56.221 56.221 56.676 -0.454 25461 295 1 . 1 1 94 94 SER CB C 94 64.454 64.454 65.812 -1.358 25461 296 1 . 1 1 94 94 SER H H 94 8.058 8.058 7.335 0.723 25461 297 1 . 1 1 95 95 VAL N N 95 129.818 129.818 126.555 3.263 25461 298 1 . 1 1 95 95 VAL HA H 95 3.357 3.357 3.648 -0.291 25461 299 1 . 1 1 95 95 VAL C C 95 176.909 176.909 177.448 -0.539 25461 300 1 . 1 1 95 95 VAL CA C 95 66.806 66.806 66.772 0.034 25461 301 1 . 1 1 95 95 VAL CB C 95 32.319 32.319 31.769 0.550 25461 302 1 . 1 1 95 95 VAL H H 95 8.983 8.983 8.903 0.080 25461 303 1 . 1 1 96 96 GLU N N 96 117.745 117.745 119.306 -1.561 25461 304 1 . 1 1 96 96 GLU HA H 96 3.824 3.824 3.939 -0.115 25461 305 1 . 1 1 96 96 GLU C C 96 179.126 179.126 178.420 0.706 25461 306 1 . 1 1 96 96 GLU CA C 96 60.825 60.825 59.799 1.026 25461 307 1 . 1 1 96 96 GLU CB C 96 29.009 29.009 28.652 0.357 25461 308 1 . 1 1 96 96 GLU H H 96 8.673 8.673 8.565 0.108 25461 309 1 . 1 1 97 97 GLU N N 97 120.049 120.049 119.629 0.420 25461 310 1 . 1 1 97 97 GLU HA H 97 4.146 4.146 4.141 0.005 25461 311 1 . 1 1 97 97 GLU C C 97 178.947 178.947 178.855 0.092 25461 312 1 . 1 1 97 97 GLU CA C 97 58.941 58.941 59.170 -0.229 25461 313 1 . 1 1 97 97 GLU CB C 97 29.744 29.744 28.998 0.746 25461 314 1 . 1 1 97 97 GLU H H 97 8.125 8.125 8.470 -0.345 25461 315 1 . 1 1 98 98 THR N N 98 118.623 118.623 116.894 1.729 25461 316 1 . 1 1 98 98 THR HA H 98 3.805 3.805 4.076 -0.271 25461 317 1 . 1 1 98 98 THR C C 98 175.676 175.676 176.818 -1.142 25461 318 1 . 1 1 98 98 THR CA C 98 70.162 70.162 67.214 2.948 25461 319 1 . 1 1 98 98 THR CB C 98 69.317 69.317 68.701 0.616 25461 320 1 . 1 1 98 98 THR H H 98 8.038 8.038 7.646 0.392 25461 321 1 . 1 1 99 99 VAL N N 99 120.683 120.683 121.128 -0.445 25461 322 1 . 1 1 99 99 VAL HA H 99 3.541 3.541 3.796 -0.255 25461 323 1 . 1 1 99 99 VAL C C 99 177.456 177.456 177.678 -0.222 25461 324 1 . 1 1 99 99 VAL CA C 99 67.924 67.924 66.575 1.349 25461 325 1 . 1 1 99 99 VAL CB C 99 31.566 31.566 31.153 0.413 25461 326 1 . 1 1 99 99 VAL H H 99 8.724 8.724 8.432 0.292 25461 327 1 . 1 1 100 100 GLU N N 100 120.914 120.914 119.854 1.060 25461 328 1 . 1 1 100 100 GLU HA H 100 4.014 4.014 4.115 -0.101 25461 329 1 . 1 1 100 100 GLU C C 100 179.857 179.857 179.181 0.676 25461 330 1 . 1 1 100 100 GLU CA C 100 60.220 60.220 59.775 0.445 25461 331 1 . 1 1 100 100 GLU CB C 100 29.208 29.208 29.485 -0.277 25461 332 1 . 1 1 100 100 GLU H H 100 8.324 8.324 8.342 -0.018 25461 333 1 . 1 1 101 101 ARG N N 101 118.451 118.451 117.979 0.472 25461 334 1 . 1 1 101 101 ARG HA H 101 3.873 3.873 4.198 -0.325 25461 335 1 . 1 1 101 101 ARG C C 101 178.078 178.078 178.207 -0.129 25461 336 1 . 1 1 101 101 ARG CA C 101 59.978 59.978 58.933 1.045 25461 337 1 . 1 1 101 101 ARG CB C 101 29.946 29.946 29.923 0.023 25461 338 1 . 1 1 101 101 ARG H H 101 8.197 8.197 8.363 -0.166 25461 339 1 . 1 1 102 102 TYR N N 102 119.888 119.888 123.883 -3.995 25461 340 1 . 1 1 102 102 TYR HA H 102 4.475 4.475 4.383 0.092 25461 341 1 . 1 1 102 102 TYR C C 102 180.056 180.056 177.978 2.078 25461 342 1 . 1 1 102 102 TYR CA C 102 61.526 61.526 61.203 0.323 25461 343 1 . 1 1 102 102 TYR CB C 102 37.516 37.516 38.429 -0.913 25461 344 1 . 1 1 102 102 TYR H H 102 8.180 8.180 8.203 -0.023 25461 345 1 . 1 1 103 103 LEU N N 103 122.091 122.091 118.388 3.703 25461 346 1 . 1 1 103 103 LEU HA H 103 3.831 3.831 3.659 0.172 25461 347 1 . 1 1 103 103 LEU C C 103 178.973 178.973 177.887 1.085 25461 348 1 . 1 1 103 103 LEU CA C 103 57.425 57.425 57.255 0.169 25461 349 1 . 1 1 103 103 LEU CB C 103 41.622 41.622 41.280 0.342 25461 350 1 . 1 1 103 103 LEU H H 103 9.050 9.050 8.220 0.830 25461 351 1 . 1 1 104 104 ARG N N 104 116.388 116.388 119.421 -3.033 25461 352 1 . 1 1 104 104 ARG HA H 104 4.376 4.376 4.313 0.063 25461 353 1 . 1 1 104 104 ARG C C 104 176.877 176.877 177.308 -0.431 25461 354 1 . 1 1 104 104 ARG CA C 104 56.572 56.572 56.032 0.540 25461 355 1 . 1 1 104 104 ARG CB C 104 30.478 30.478 30.705 -0.227 25461 356 1 . 1 1 104 104 ARG H H 104 7.888 7.888 7.622 0.266 25461 357 1 . 1 1 105 105 GLY N N 105 107.432 107.432 109.378 -1.946 25461 358 1 . 1 1 105 105 GLY C C 105 174.796 174.796 174.547 0.249 25461 359 1 . 1 1 105 105 GLY CA C 105 45.332 45.332 45.112 0.220 25461 360 1 . 1 1 105 105 GLY H H 105 7.688 7.688 7.947 -0.259 25461 361 1 . 1 1 106 106 ASP N N 106 121.505 121.505 120.776 0.729 25461 362 1 . 1 1 106 106 ASP HA H 106 4.381 4.381 4.631 -0.250 25461 363 1 . 1 1 106 106 ASP C C 106 175.595 175.595 176.523 -0.928 25461 364 1 . 1 1 106 106 ASP CA C 106 55.037 55.037 54.266 0.771 25461 365 1 . 1 1 106 106 ASP CB C 106 40.571 40.571 42.264 -1.693 25461 366 1 . 1 1 106 106 ASP H H 106 7.878 7.878 8.071 -0.193 25461 367 1 . 1 1 107 107 GLU N N 107 119.581 119.581 118.699 0.882 25461 368 1 . 1 1 107 107 GLU HA H 107 4.382 4.382 4.465 -0.083 25461 369 1 . 1 1 107 107 GLU C C 107 177.123 177.123 175.540 1.583 25461 370 1 . 1 1 107 107 GLU CA C 107 56.475 56.475 56.622 -0.147 25461 371 1 . 1 1 107 107 GLU CB C 107 30.522 30.522 30.278 0.244 25461 372 1 . 1 1 107 107 GLU H H 107 8.394 8.394 8.448 -0.054 25461 373 1 . 1 1 108 108 PHE N N 108 126.975 126.975 122.061 4.914 25461 374 1 . 1 1 108 108 PHE HA H 108 4.622 4.622 4.801 -0.179 25461 375 1 . 1 1 108 108 PHE C C 108 176.186 176.186 175.271 0.915 25461 376 1 . 1 1 108 108 PHE CA C 108 57.230 57.230 57.306 -0.076 25461 377 1 . 1 1 108 108 PHE CB C 108 40.244 40.244 40.615 -0.371 25461 378 1 . 1 1 108 108 PHE H H 108 9.373 9.373 8.717 0.656 25461 379 1 . 1 1 109 109 SER N N 109 121.198 121.198 118.997 2.201 25461 380 1 . 1 1 109 109 SER HA H 109 4.582 4.582 4.710 -0.128 25461 381 1 . 1 1 109 109 SER C C 109 175.060 175.060 173.197 1.863 25461 382 1 . 1 1 109 109 SER CA C 109 58.928 58.928 57.596 1.332 25461 383 1 . 1 1 109 109 SER CB C 109 64.213 64.213 64.897 -0.684 25461 384 1 . 1 1 109 109 SER H H 109 8.694 8.694 8.459 0.235 25461 385 1 . 1 1 110 110 PHE N N 110 121.734 121.734 119.654 2.080 25461 386 1 . 1 1 110 110 PHE HA H 110 4.187 4.187 4.510 -0.323 25461 387 1 . 1 1 110 110 PHE C C 110 172.930 172.930 173.759 -0.829 25461 388 1 . 1 1 110 110 PHE CA C 110 57.749 57.749 55.756 1.993 25461 389 1 . 1 1 110 110 PHE CB C 110 38.497 38.497 39.386 -0.889 25461 390 1 . 1 1 110 110 PHE H H 110 8.965 8.965 8.436 0.529 25461 391 1 . 1 1 111 111 PRO HA H 111 3.349 3.349 3.715 -0.366 25461 392 1 . 1 1 111 111 PRO CA C 111 61.072 61.072 61.268 -0.196 25461 393 1 . 1 1 112 112 PRO HA H 112 4.318 4.318 4.255 0.063 25461 394 1 . 1 1 112 112 PRO C C 112 177.703 177.703 177.973 -0.270 25461 395 1 . 1 1 112 112 PRO CA C 112 63.589 63.589 63.699 -0.110 25461 396 1 . 1 1 112 112 PRO CB C 112 31.758 31.758 31.496 0.262 25461 397 1 . 1 1 113 113 GLY N N 113 110.960 110.960 110.795 0.165 25461 398 1 . 1 1 113 113 GLY C C 113 174.074 174.074 174.958 -0.884 25461 399 1 . 1 1 113 113 GLY CA C 113 45.160 45.160 45.198 -0.038 25461 400 1 . 1 1 113 113 GLY H H 113 8.682 8.682 8.583 0.099 25461 401 1 . 1 1 114 114 PHE N N 114 120.992 120.992 120.938 0.054 25461 402 1 . 1 1 114 114 PHE HA H 114 4.310 4.310 4.382 -0.072 25461 403 1 . 1 1 114 114 PHE C C 114 174.567 174.567 176.321 -1.754 25461 404 1 . 1 1 114 114 PHE CA C 114 59.324 59.324 59.691 -0.367 25461 405 1 . 1 1 114 114 PHE CB C 114 40.149 40.149 39.814 0.335 25461 406 1 . 1 1 114 114 PHE H H 114 7.771 7.771 7.900 -0.129 25461 stop_ save_