data_18869 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18869 _Entry.PDB_ID 2M1L 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 18869 _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 59 59 HIS HA H 59 4.737 4.737 4.883 -0.146 18869 2 1 1 . 1 1 59 59 HIS C C 59 174.845 174.845 174.539 0.306 18869 3 1 1 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.465 -0.033 18869 4 1 1 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.905 -0.351 18869 5 1 1 . 1 1 60 60 MET N N 60 121.666 121.666 124.783 -3.117 18869 6 1 1 . 1 1 60 60 MET HA H 60 4.462 4.462 4.374 0.088 18869 7 1 1 . 1 1 60 60 MET C C 60 175.495 175.495 174.813 0.682 18869 8 1 1 . 1 1 60 60 MET CA C 60 55.475 55.475 55.724 -0.249 18869 9 1 1 . 1 1 60 60 MET H H 60 8.324 8.324 8.227 0.097 18869 10 1 1 . 1 1 61 61 ALA N N 61 125.934 125.934 123.690 2.244 18869 11 1 1 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.418 -0.071 18869 12 1 1 . 1 1 61 61 ALA C C 61 177.394 177.394 176.420 0.974 18869 13 1 1 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.867 0.705 18869 14 1 1 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.839 -0.364 18869 15 1 1 . 1 1 61 61 ALA H H 61 8.438 8.438 7.794 0.644 18869 16 1 1 . 1 1 62 62 MET N N 62 120.125 120.125 120.795 -0.670 18869 17 1 1 . 1 1 62 62 MET HA H 62 4.489 4.489 4.595 -0.106 18869 18 1 1 . 1 1 62 62 MET C C 62 175.850 175.850 176.594 -0.744 18869 19 1 1 . 1 1 62 62 MET CA C 62 55.350 55.350 54.689 0.661 18869 20 1 1 . 1 1 62 62 MET H H 62 8.369 8.369 7.972 0.397 18869 21 1 1 . 1 1 63 63 LYS N N 63 124.280 124.280 126.258 -1.978 18869 22 1 1 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.700 -0.056 18869 23 1 1 . 1 1 63 63 LYS C C 63 173.722 173.722 174.178 -0.456 18869 24 1 1 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.537 -0.295 18869 25 1 1 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.001 -0.361 18869 26 1 1 . 1 1 63 63 LYS H H 63 8.390 8.390 8.419 -0.029 18869 27 1 1 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.849 -0.106 18869 28 1 1 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.227 0.328 18869 29 1 1 . 1 1 64 64 PRO CB C 64 30.947 30.947 32.395 -1.448 18869 30 1 1 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.253 0.210 18869 31 1 1 . 1 1 65 65 PRO C C 65 177.677 177.677 177.075 0.602 18869 32 1 1 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.304 0.174 18869 33 1 1 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.275 -0.186 18869 34 1 1 . 1 1 66 66 GLY N N 66 109.177 109.177 104.618 4.559 18869 35 1 1 . 1 1 66 66 GLY C C 66 173.968 173.968 173.884 0.084 18869 36 1 1 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.785 0.464 18869 37 1 1 . 1 1 66 66 GLY H H 66 8.501 8.501 7.712 0.789 18869 38 1 1 . 1 1 67 67 ALA N N 67 123.867 123.867 126.315 -2.448 18869 39 1 1 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.198 0.190 18869 40 1 1 . 1 1 67 67 ALA C C 67 177.984 177.984 178.557 -0.573 18869 41 1 1 . 1 1 67 67 ALA CA C 67 52.558 52.558 53.166 -0.608 18869 42 1 1 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.188 0.204 18869 43 1 1 . 1 1 67 67 ALA H H 67 8.224 8.224 8.609 -0.385 18869 44 1 1 . 1 1 68 68 GLN N N 68 119.754 119.754 119.379 0.375 18869 45 1 1 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.445 -0.056 18869 46 1 1 . 1 1 68 68 GLN C C 68 176.666 176.666 175.869 0.797 18869 47 1 1 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.167 1.091 18869 48 1 1 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.405 0.106 18869 49 1 1 . 1 1 68 68 GLN H H 68 8.540 8.540 8.260 0.280 18869 50 1 1 . 1 1 69 69 GLY N N 69 110.258 110.258 111.294 -1.036 18869 51 1 1 . 1 1 69 69 GLY C C 69 174.333 174.333 174.311 0.022 18869 52 1 1 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.515 0.001 18869 53 1 1 . 1 1 69 69 GLY H H 69 8.516 8.516 8.661 -0.145 18869 54 1 1 . 1 1 70 70 SER N N 70 116.141 116.141 117.032 -0.891 18869 55 1 1 . 1 1 70 70 SER HA H 70 4.504 4.504 4.528 -0.024 18869 56 1 1 . 1 1 70 70 SER C C 70 174.792 174.792 173.933 0.859 18869 57 1 1 . 1 1 70 70 SER CA C 70 58.792 58.792 59.256 -0.464 18869 58 1 1 . 1 1 70 70 SER CB C 70 64.011 64.011 63.784 0.227 18869 59 1 1 . 1 1 70 70 SER H H 70 8.387 8.387 8.165 0.222 18869 60 1 1 . 1 1 71 71 GLN N N 71 122.245 122.245 118.766 3.479 18869 61 1 1 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.588 -0.184 18869 62 1 1 . 1 1 71 71 GLN C C 71 176.805 176.805 174.946 1.859 18869 63 1 1 . 1 1 71 71 GLN CA C 71 57.233 57.233 55.698 1.535 18869 64 1 1 . 1 1 71 71 GLN CB C 71 29.111 29.111 29.449 -0.338 18869 65 1 1 . 1 1 71 71 GLN H H 71 8.639 8.639 7.976 0.663 18869 66 1 1 . 1 1 72 72 SER N N 72 116.778 116.778 115.796 0.982 18869 67 1 1 . 1 1 72 72 SER HA H 72 4.536 4.536 4.406 0.130 18869 68 1 1 . 1 1 72 72 SER C C 72 175.305 175.305 176.296 -0.991 18869 69 1 1 . 1 1 72 72 SER CA C 72 59.356 59.356 60.298 -0.942 18869 70 1 1 . 1 1 72 72 SER CB C 72 63.977 63.977 62.942 1.035 18869 71 1 1 . 1 1 72 72 SER H H 72 8.516 8.516 8.444 0.072 18869 72 1 1 . 1 1 73 73 THR N N 73 119.063 119.063 117.226 1.837 18869 73 1 1 . 1 1 73 73 THR HA H 73 4.045 4.045 4.243 -0.198 18869 74 1 1 . 1 1 73 73 THR C C 73 176.016 176.016 176.627 -0.611 18869 75 1 1 . 1 1 73 73 THR CA C 73 65.705 65.705 65.203 0.502 18869 76 1 1 . 1 1 73 73 THR CB C 73 68.743 68.743 68.767 -0.024 18869 77 1 1 . 1 1 73 73 THR H H 73 8.305 8.305 8.364 -0.059 18869 78 1 1 . 1 1 74 74 TYR N N 74 118.707 118.707 122.150 -3.443 18869 79 1 1 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.416 -0.142 18869 80 1 1 . 1 1 74 74 TYR C C 74 177.613 177.613 177.746 -0.133 18869 81 1 1 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.016 1.088 18869 82 1 1 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.109 0.008 18869 83 1 1 . 1 1 74 74 TYR H H 74 7.905 7.905 8.262 -0.357 18869 84 1 1 . 1 1 75 75 THR N N 75 114.583 114.583 116.893 -2.310 18869 85 1 1 . 1 1 75 75 THR HA H 75 3.992 3.992 3.869 0.123 18869 86 1 1 . 1 1 75 75 THR C C 75 177.381 177.381 175.811 1.570 18869 87 1 1 . 1 1 75 75 THR CA C 75 66.363 66.363 67.442 -1.079 18869 88 1 1 . 1 1 75 75 THR CB C 75 68.324 68.324 68.296 0.028 18869 89 1 1 . 1 1 75 75 THR H H 75 8.027 8.027 7.810 0.217 18869 90 1 1 . 1 1 76 76 ASP N N 76 124.495 124.495 122.528 1.967 18869 91 1 1 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.310 0.187 18869 92 1 1 . 1 1 76 76 ASP C C 76 178.510 178.510 177.769 0.741 18869 93 1 1 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.242 0.045 18869 94 1 1 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.910 -0.680 18869 95 1 1 . 1 1 76 76 ASP H H 76 8.293 8.293 7.637 0.656 18869 96 1 1 . 1 1 77 77 LEU N N 77 121.803 121.803 120.431 1.372 18869 97 1 1 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.927 0.076 18869 98 1 1 . 1 1 77 77 LEU C C 77 177.976 177.976 177.548 0.428 18869 99 1 1 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.749 0.275 18869 100 1 1 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.620 0.302 18869 101 1 1 . 1 1 77 77 LEU H H 77 8.301 8.301 7.267 1.034 18869 102 1 1 . 1 1 78 78 LEU N N 78 119.070 119.070 119.123 -0.053 18869 103 1 1 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.807 0.230 18869 104 1 1 . 1 1 78 78 LEU C C 78 179.095 179.095 178.565 0.530 18869 105 1 1 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.794 0.852 18869 106 1 1 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.205 0.112 18869 107 1 1 . 1 1 78 78 LEU H H 78 8.380 8.380 7.280 1.100 18869 108 1 1 . 1 1 79 79 SER N N 79 114.297 114.297 115.354 -1.057 18869 109 1 1 . 1 1 79 79 SER HA H 79 4.337 4.337 4.111 0.226 18869 110 1 1 . 1 1 79 79 SER C C 79 176.729 176.729 176.859 -0.130 18869 111 1 1 . 1 1 79 79 SER CA C 79 62.031 62.031 61.725 0.306 18869 112 1 1 . 1 1 79 79 SER CB C 79 62.761 62.761 62.523 0.238 18869 113 1 1 . 1 1 79 79 SER H H 79 7.976 7.976 7.513 0.463 18869 114 1 1 . 1 1 80 80 VAL N N 80 122.776 122.776 122.071 0.705 18869 115 1 1 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.490 0.371 18869 116 1 1 . 1 1 80 80 VAL C C 80 178.463 178.463 177.945 0.518 18869 117 1 1 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.082 0.113 18869 118 1 1 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.245 0.667 18869 119 1 1 . 1 1 80 80 VAL H H 80 8.126 8.126 7.764 0.362 18869 120 1 1 . 1 1 81 81 ILE N N 81 121.312 121.312 118.556 2.756 18869 121 1 1 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.677 0.118 18869 122 1 1 . 1 1 81 81 ILE C C 81 177.475 177.475 178.319 -0.844 18869 123 1 1 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.980 1.145 18869 124 1 1 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.211 1.519 18869 125 1 1 . 1 1 81 81 ILE H H 81 8.236 8.236 8.118 0.118 18869 126 1 1 . 1 1 82 82 GLU N N 82 119.637 119.637 119.742 -0.105 18869 127 1 1 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.009 0.150 18869 128 1 1 . 1 1 82 82 GLU C C 82 180.592 180.592 178.961 1.631 18869 129 1 1 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.296 -0.118 18869 130 1 1 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.453 -0.186 18869 131 1 1 . 1 1 82 82 GLU H H 82 8.326 8.326 7.903 0.423 18869 132 1 1 . 1 1 83 83 GLU N N 83 119.955 119.955 117.980 1.975 18869 133 1 1 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.166 -0.107 18869 134 1 1 . 1 1 83 83 GLU C C 83 179.428 179.428 178.781 0.647 18869 135 1 1 . 1 1 83 83 GLU CA C 83 59.590 59.590 57.602 1.988 18869 136 1 1 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.174 0.097 18869 137 1 1 . 1 1 83 83 GLU H H 83 8.383 8.383 7.953 0.430 18869 138 1 1 . 1 1 84 84 MET N N 84 118.367 118.367 118.121 0.246 18869 139 1 1 . 1 1 84 84 MET HA H 84 4.066 4.066 4.340 -0.274 18869 140 1 1 . 1 1 84 84 MET C C 84 179.303 179.303 178.209 1.094 18869 141 1 1 . 1 1 84 84 MET CA C 84 60.047 60.047 58.662 1.385 18869 142 1 1 . 1 1 84 84 MET CB C 84 34.431 34.431 32.772 1.659 18869 143 1 1 . 1 1 84 84 MET H H 84 8.335 8.335 8.021 0.314 18869 144 1 1 . 1 1 85 85 GLY N N 85 104.067 104.067 106.552 -2.485 18869 145 1 1 . 1 1 85 85 GLY C C 85 176.612 176.612 175.225 1.387 18869 146 1 1 . 1 1 85 85 GLY CA C 85 47.543 47.543 47.136 0.407 18869 147 1 1 . 1 1 85 85 GLY H H 85 8.219 8.219 7.914 0.305 18869 148 1 1 . 1 1 86 86 LYS N N 86 119.651 119.651 118.562 1.089 18869 149 1 1 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.320 -0.047 18869 150 1 1 . 1 1 86 86 LYS C C 86 177.390 177.390 177.985 -0.595 18869 151 1 1 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.418 0.063 18869 152 1 1 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.127 0.468 18869 153 1 1 . 1 1 86 86 LYS H H 86 7.585 7.585 7.449 0.136 18869 154 1 1 . 1 1 87 87 GLU N N 87 114.250 114.250 118.888 -4.638 18869 155 1 1 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.242 0.943 18869 156 1 1 . 1 1 87 87 GLU C C 87 179.381 179.381 178.411 0.970 18869 157 1 1 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.623 -2.820 18869 158 1 1 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.363 0.268 18869 159 1 1 . 1 1 87 87 GLU H H 87 7.710 7.710 7.603 0.107 18869 160 1 1 . 1 1 88 88 ILE N N 88 122.587 122.587 120.342 2.245 18869 161 1 1 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.695 -0.219 18869 162 1 1 . 1 1 88 88 ILE C C 88 175.990 175.990 177.633 -1.643 18869 163 1 1 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.566 1.945 18869 164 1 1 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.368 0.590 18869 165 1 1 . 1 1 88 88 ILE H H 88 7.471 7.471 7.472 -0.001 18869 166 1 1 . 1 1 89 89 ARG N N 89 118.954 118.954 119.003 -0.049 18869 167 1 1 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.258 0.111 18869 168 1 1 . 1 1 89 89 ARG C C 89 176.834 176.834 175.907 0.927 18869 169 1 1 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.536 -0.147 18869 170 1 1 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.946 -1.048 18869 171 1 1 . 1 1 89 89 ARG H H 89 8.983 8.983 8.423 0.560 18869 172 1 1 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.324 0.213 18869 173 1 1 . 1 1 90 90 PRO C C 90 178.848 178.848 178.580 0.268 18869 174 1 1 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.760 0.210 18869 175 1 1 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.282 -1.020 18869 176 1 1 . 1 1 91 91 THR N N 91 118.284 118.284 116.627 1.657 18869 177 1 1 . 1 1 91 91 THR HA H 91 4.461 4.461 4.192 0.269 18869 178 1 1 . 1 1 91 91 THR C C 91 176.982 176.982 177.204 -0.222 18869 179 1 1 . 1 1 91 91 THR CA C 91 67.247 67.247 67.094 0.154 18869 180 1 1 . 1 1 91 91 THR CB C 91 69.454 69.454 68.817 0.637 18869 181 1 1 . 1 1 91 91 THR H H 91 7.734 7.734 8.058 -0.324 18869 182 1 1 . 1 1 92 92 TYR N N 92 123.739 123.739 122.895 0.844 18869 183 1 1 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.229 0.615 18869 184 1 1 . 1 1 92 92 TYR C C 92 177.320 177.320 175.773 1.547 18869 185 1 1 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.462 -1.654 18869 186 1 1 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.386 0.814 18869 187 1 1 . 1 1 92 92 TYR H H 92 8.420 8.420 8.208 0.212 18869 188 1 1 . 1 1 93 93 ALA N N 93 120.159 120.159 118.160 1.999 18869 189 1 1 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.213 -0.042 18869 190 1 1 . 1 1 93 93 ALA C C 93 177.685 177.685 177.739 -0.054 18869 191 1 1 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.998 -0.020 18869 192 1 1 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.142 -0.631 18869 193 1 1 . 1 1 93 93 ALA H H 93 7.929 7.929 7.477 0.452 18869 194 1 1 . 1 1 94 94 GLY N N 94 108.770 108.770 106.526 2.244 18869 195 1 1 . 1 1 94 94 GLY C C 94 174.896 174.896 174.873 0.023 18869 196 1 1 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.036 0.846 18869 197 1 1 . 1 1 94 94 GLY H H 94 8.311 8.311 7.708 0.603 18869 198 1 1 . 1 1 95 95 SER N N 95 115.316 115.316 118.963 -3.647 18869 199 1 1 . 1 1 95 95 SER HA H 95 4.774 4.774 4.542 0.232 18869 200 1 1 . 1 1 95 95 SER C C 95 175.089 175.089 175.041 0.048 18869 201 1 1 . 1 1 95 95 SER CA C 95 57.083 57.083 57.788 -0.704 18869 202 1 1 . 1 1 95 95 SER CB C 95 62.543 62.543 62.420 0.123 18869 203 1 1 . 1 1 95 95 SER H H 95 8.363 8.363 8.061 0.302 18869 204 1 1 . 1 1 96 96 LYS N N 96 134.180 134.180 127.467 6.713 18869 205 1 1 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.066 -0.083 18869 206 1 1 . 1 1 96 96 LYS C C 96 178.195 178.195 178.381 -0.186 18869 207 1 1 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.353 0.544 18869 208 1 1 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.983 0.964 18869 209 1 1 . 1 1 96 96 LYS H H 96 9.099 9.099 8.395 0.704 18869 210 1 1 . 1 1 97 97 SER N N 97 113.650 113.650 115.187 -1.537 18869 211 1 1 . 1 1 97 97 SER HA H 97 4.230 4.230 4.114 0.116 18869 212 1 1 . 1 1 97 97 SER C C 97 177.304 177.304 176.131 1.173 18869 213 1 1 . 1 1 97 97 SER CA C 97 61.152 61.152 60.971 0.181 18869 214 1 1 . 1 1 97 97 SER CB C 97 62.101 62.101 62.760 -0.658 18869 215 1 1 . 1 1 97 97 SER H H 97 8.383 8.383 8.457 -0.074 18869 216 1 1 . 1 1 98 98 ALA N N 98 126.790 126.790 124.132 2.658 18869 217 1 1 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.253 -0.226 18869 218 1 1 . 1 1 98 98 ALA C C 98 178.317 178.317 179.628 -1.311 18869 219 1 1 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.492 0.815 18869 220 1 1 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.516 1.242 18869 221 1 1 . 1 1 98 98 ALA H H 98 7.771 7.771 8.084 -0.313 18869 222 1 1 . 1 1 99 99 MET N N 99 119.910 119.910 119.095 0.815 18869 223 1 1 . 1 1 99 99 MET HA H 99 3.944 3.944 4.294 -0.350 18869 224 1 1 . 1 1 99 99 MET C C 99 178.584 178.584 178.132 0.452 18869 225 1 1 . 1 1 99 99 MET CA C 99 59.584 59.584 57.691 1.893 18869 226 1 1 . 1 1 99 99 MET H H 99 7.856 7.856 8.195 -0.339 18869 227 1 1 . 1 1 100 100 GLU N N 100 118.105 118.105 120.085 -1.980 18869 228 1 1 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.073 -0.090 18869 229 1 1 . 1 1 100 100 GLU C C 100 180.292 180.292 178.973 1.319 18869 230 1 1 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.334 0.100 18869 231 1 1 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.172 0.076 18869 232 1 1 . 1 1 100 100 GLU H H 100 8.255 8.255 8.088 0.167 18869 233 1 1 . 1 1 101 101 ARG N N 101 120.780 120.780 119.360 1.420 18869 234 1 1 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.116 -0.083 18869 235 1 1 . 1 1 101 101 ARG C C 101 180.619 180.619 179.205 1.414 18869 236 1 1 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.986 1.811 18869 237 1 1 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.170 0.635 18869 238 1 1 . 1 1 101 101 ARG H H 101 7.973 7.973 7.830 0.143 18869 239 1 1 . 1 1 102 102 LEU N N 102 125.866 125.866 121.918 3.948 18869 240 1 1 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.171 -0.028 18869 241 1 1 . 1 1 102 102 LEU C C 102 178.209 178.209 177.965 0.244 18869 242 1 1 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.731 1.461 18869 243 1 1 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.769 0.051 18869 244 1 1 . 1 1 102 102 LEU H H 102 8.781 8.781 8.105 0.676 18869 245 1 1 . 1 1 103 103 LYS N N 103 118.426 118.426 119.039 -0.613 18869 246 1 1 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.938 -0.090 18869 247 1 1 . 1 1 103 103 LYS C C 103 179.666 179.666 179.172 0.494 18869 248 1 1 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.386 0.214 18869 249 1 1 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.214 0.517 18869 250 1 1 . 1 1 103 103 LYS H H 103 8.573 8.573 8.113 0.461 18869 251 1 1 . 1 1 104 104 ARG N N 104 117.936 117.936 118.773 -0.837 18869 252 1 1 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.162 -0.112 18869 253 1 1 . 1 1 104 104 ARG C C 104 179.190 179.190 178.964 0.226 18869 254 1 1 . 1 1 104 104 ARG CA C 104 59.536 59.536 58.787 0.749 18869 255 1 1 . 1 1 104 104 ARG CB C 104 30.050 30.050 29.980 0.070 18869 256 1 1 . 1 1 104 104 ARG H H 104 8.154 8.154 8.387 -0.233 18869 257 1 1 . 1 1 105 105 GLY N N 105 110.339 110.339 109.159 1.180 18869 258 1 1 . 1 1 105 105 GLY C C 105 174.974 174.974 175.873 -0.899 18869 259 1 1 . 1 1 105 105 GLY CA C 105 47.706 47.706 46.959 0.748 18869 260 1 1 . 1 1 105 105 GLY H H 105 8.265 8.265 7.936 0.329 18869 261 1 1 . 1 1 106 106 ILE N N 106 122.669 122.669 123.427 -0.758 18869 262 1 1 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.937 -0.216 18869 263 1 1 . 1 1 106 106 ILE C C 106 177.749 177.749 178.267 -0.518 18869 264 1 1 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.833 -0.722 18869 265 1 1 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.053 -1.767 18869 266 1 1 . 1 1 106 106 ILE H H 106 8.028 8.028 7.754 0.274 18869 267 1 1 . 1 1 107 107 ILE N N 107 119.626 119.626 119.842 -0.216 18869 268 1 1 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.656 -0.004 18869 269 1 1 . 1 1 107 107 ILE C C 107 179.292 179.292 177.886 1.406 18869 270 1 1 . 1 1 107 107 ILE CA C 107 65.307 65.307 64.713 0.594 18869 271 1 1 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.484 0.925 18869 272 1 1 . 1 1 107 107 ILE H H 107 7.481 7.481 8.200 -0.719 18869 273 1 1 . 1 1 108 108 HIS N N 108 120.644 120.644 119.642 1.002 18869 274 1 1 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.207 0.495 18869 275 1 1 . 1 1 108 108 HIS C C 108 177.121 177.121 177.102 0.019 18869 276 1 1 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.369 -1.805 18869 277 1 1 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.444 0.000 18869 278 1 1 . 1 1 108 108 HIS H H 108 8.396 8.396 7.984 0.412 18869 279 1 1 . 1 1 109 109 ALA N N 109 121.460 121.460 121.681 -0.221 18869 280 1 1 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.909 -0.001 18869 281 1 1 . 1 1 109 109 ALA C C 109 178.810 178.810 179.163 -0.353 18869 282 1 1 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.345 0.230 18869 283 1 1 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.376 -0.777 18869 284 1 1 . 1 1 109 109 ALA H H 109 9.416 9.416 8.291 1.125 18869 285 1 1 . 1 1 110 110 ARG N N 110 116.845 116.845 119.141 -2.296 18869 286 1 1 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.070 -0.337 18869 287 1 1 . 1 1 110 110 ARG C C 110 177.800 177.800 178.221 -0.421 18869 288 1 1 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.135 1.296 18869 289 1 1 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.273 0.617 18869 290 1 1 . 1 1 110 110 ARG H H 110 8.579 8.579 8.446 0.133 18869 291 1 1 . 1 1 111 111 ALA N N 111 120.689 120.689 123.034 -2.345 18869 292 1 1 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.092 0.068 18869 293 1 1 . 1 1 111 111 ALA C C 111 181.315 181.315 179.434 1.881 18869 294 1 1 . 1 1 111 111 ALA CA C 111 55.413 55.413 55.127 0.286 18869 295 1 1 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.399 -0.333 18869 296 1 1 . 1 1 111 111 ALA H H 111 7.808 7.808 7.549 0.259 18869 297 1 1 . 1 1 112 112 LEU N N 112 119.511 119.511 118.450 1.061 18869 298 1 1 . 1 1 112 112 LEU C C 112 179.788 179.788 179.217 0.571 18869 299 1 1 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.707 0.290 18869 300 1 1 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.733 1.140 18869 301 1 1 . 1 1 112 112 LEU H H 112 8.308 8.308 7.628 0.680 18869 302 1 1 . 1 1 113 113 VAL N N 113 119.879 119.879 118.644 1.235 18869 303 1 1 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.697 -0.143 18869 304 1 1 . 1 1 113 113 VAL C C 113 178.238 178.238 177.727 0.511 18869 305 1 1 . 1 1 113 113 VAL CA C 113 67.641 67.641 67.322 0.319 18869 306 1 1 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.408 -0.032 18869 307 1 1 . 1 1 113 113 VAL H H 113 8.502 8.502 8.080 0.422 18869 308 1 1 . 1 1 114 114 ARG N N 114 118.928 118.928 119.101 -0.173 18869 309 1 1 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.109 -0.120 18869 310 1 1 . 1 1 114 114 ARG C C 114 179.368 179.368 178.645 0.723 18869 311 1 1 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.158 1.049 18869 312 1 1 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.565 -0.993 18869 313 1 1 . 1 1 114 114 ARG H H 114 8.335 8.335 7.806 0.529 18869 314 1 1 . 1 1 115 115 GLU N N 115 120.444 120.444 120.731 -0.287 18869 315 1 1 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.170 0.038 18869 316 1 1 . 1 1 115 115 GLU C C 115 178.931 178.931 178.732 0.199 18869 317 1 1 . 1 1 115 115 GLU CA C 115 59.283 59.283 59.053 0.230 18869 318 1 1 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.115 -0.014 18869 319 1 1 . 1 1 115 115 GLU H H 115 7.971 7.971 8.447 -0.476 18869 320 1 1 . 1 1 116 116 CYS N N 116 118.789 118.789 118.436 0.353 18869 321 1 1 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.194 -0.087 18869 322 1 1 . 1 1 116 116 CYS C C 116 177.264 177.264 176.795 0.469 18869 323 1 1 . 1 1 116 116 CYS CA C 116 62.959 62.959 63.050 -0.091 18869 324 1 1 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.684 -1.077 18869 325 1 1 . 1 1 116 116 CYS H H 116 7.989 7.989 7.581 0.408 18869 326 1 1 . 1 1 117 117 LEU N N 117 120.670 120.670 120.856 -0.186 18869 327 1 1 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.857 0.091 18869 328 1 1 . 1 1 117 117 LEU C C 117 178.291 178.291 178.777 -0.486 18869 329 1 1 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.816 -0.548 18869 330 1 1 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.172 1.061 18869 331 1 1 . 1 1 117 117 LEU H H 117 8.028 8.028 8.228 -0.200 18869 332 1 1 . 1 1 118 118 ALA N N 118 122.520 122.520 121.453 1.067 18869 333 1 1 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.954 0.250 18869 334 1 1 . 1 1 118 118 ALA C C 118 179.805 179.805 178.881 0.924 18869 335 1 1 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.241 -0.832 18869 336 1 1 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.262 0.108 18869 337 1 1 . 1 1 118 118 ALA H H 118 8.000 8.000 7.645 0.355 18869 338 1 1 . 1 1 119 119 GLU N N 119 118.901 118.901 114.724 4.177 18869 339 1 1 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.237 -0.053 18869 340 1 1 . 1 1 119 119 GLU C C 119 178.082 178.082 178.308 -0.226 18869 341 1 1 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.188 0.264 18869 342 1 1 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.682 -0.016 18869 343 1 1 . 1 1 119 119 GLU H H 119 8.094 8.094 7.912 0.182 18869 344 1 1 . 1 1 120 120 THR N N 120 113.828 113.828 116.127 -2.299 18869 345 1 1 . 1 1 120 120 THR HA H 120 4.251 4.251 4.084 0.167 18869 346 1 1 . 1 1 120 120 THR C C 120 176.051 176.051 175.358 0.693 18869 347 1 1 . 1 1 120 120 THR CA C 120 64.664 64.664 65.698 -1.034 18869 348 1 1 . 1 1 120 120 THR CB C 120 69.543 69.543 68.688 0.855 18869 349 1 1 . 1 1 120 120 THR H H 120 7.976 7.976 8.030 -0.055 18869 350 1 1 . 1 1 121 121 GLU N N 121 121.927 121.927 118.779 3.148 18869 351 1 1 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.143 0.101 18869 352 1 1 . 1 1 121 121 GLU C C 121 177.730 177.730 177.556 0.174 18869 353 1 1 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.106 -0.182 18869 354 1 1 . 1 1 121 121 GLU CB C 121 29.902 29.902 28.922 0.980 18869 355 1 1 . 1 1 121 121 GLU H H 121 8.073 8.073 7.808 0.265 18869 356 1 1 . 1 1 122 122 ARG N N 122 120.226 120.226 119.207 1.019 18869 357 1 1 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.135 0.119 18869 358 1 1 . 1 1 122 122 ARG C C 122 177.289 177.289 177.077 0.212 18869 359 1 1 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.052 0.659 18869 360 1 1 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.619 0.203 18869 361 1 1 . 1 1 122 122 ARG H H 122 8.081 8.081 7.986 0.095 18869 362 1 1 . 1 1 123 123 ASN N N 123 118.062 118.062 117.826 0.236 18869 363 1 1 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.644 0.098 18869 364 1 1 . 1 1 123 123 ASN C C 123 175.035 175.035 173.256 1.779 18869 365 1 1 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.320 0.400 18869 366 1 1 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.828 -0.785 18869 367 1 1 . 1 1 123 123 ASN H H 123 8.229 8.229 7.599 0.630 18869 368 1 1 . 1 1 124 124 ALA N N 124 123.469 123.469 124.960 -1.491 18869 369 1 1 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.573 -0.181 18869 370 1 1 . 1 1 124 124 ALA C C 124 177.587 177.587 176.839 0.748 18869 371 1 1 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.992 0.787 18869 372 1 1 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.593 -0.228 18869 373 1 1 . 1 1 124 124 ALA H H 124 7.989 7.989 8.426 -0.437 18869 374 1 1 . 1 1 125 125 ARG N N 125 120.186 120.186 121.835 -1.649 18869 375 1 1 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.730 -0.244 18869 376 1 1 . 1 1 125 125 ARG C C 125 175.804 175.804 176.544 -0.740 18869 377 1 1 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.921 -0.669 18869 378 1 1 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.494 0.364 18869 379 1 1 . 1 1 125 125 ARG H H 125 8.200 8.200 8.897 -0.697 18869 380 1 2 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.815 -0.078 18869 381 1 2 . 1 1 59 59 HIS C C 59 174.845 174.845 175.775 -0.930 18869 382 1 2 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.971 0.461 18869 383 1 2 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.083 0.471 18869 384 1 2 . 1 1 60 60 MET N N 60 121.666 121.666 125.935 -4.269 18869 385 1 2 . 1 1 60 60 MET HA H 60 4.462 4.462 4.303 0.160 18869 386 1 2 . 1 1 60 60 MET C C 60 175.495 175.495 175.584 -0.089 18869 387 1 2 . 1 1 60 60 MET CA C 60 55.475 55.475 55.795 -0.320 18869 388 1 2 . 1 1 60 60 MET H H 60 8.324 8.324 8.724 -0.400 18869 389 1 2 . 1 1 61 61 ALA N N 61 125.934 125.934 120.812 5.122 18869 390 1 2 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.061 0.286 18869 391 1 2 . 1 1 61 61 ALA C C 61 177.394 177.394 177.030 0.364 18869 392 1 2 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.425 0.147 18869 393 1 2 . 1 1 61 61 ALA CB C 61 19.475 19.475 17.268 2.207 18869 394 1 2 . 1 1 61 61 ALA H H 61 8.438 8.438 8.209 0.229 18869 395 1 2 . 1 1 62 62 MET N N 62 120.125 120.125 119.730 0.395 18869 396 1 2 . 1 1 62 62 MET HA H 62 4.489 4.489 4.374 0.115 18869 397 1 2 . 1 1 62 62 MET C C 62 175.850 175.850 175.172 0.678 18869 398 1 2 . 1 1 62 62 MET CA C 62 55.350 55.350 56.206 -0.856 18869 399 1 2 . 1 1 62 62 MET H H 62 8.369 8.369 7.833 0.536 18869 400 1 2 . 1 1 63 63 LYS N N 63 124.280 124.280 126.504 -2.224 18869 401 1 2 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.691 -0.046 18869 402 1 2 . 1 1 63 63 LYS C C 63 173.722 173.722 174.083 -0.361 18869 403 1 2 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.417 -0.175 18869 404 1 2 . 1 1 63 63 LYS CB C 63 32.640 32.640 31.445 1.195 18869 405 1 2 . 1 1 63 63 LYS H H 63 8.390 8.390 8.431 -0.041 18869 406 1 2 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.558 0.185 18869 407 1 2 . 1 1 64 64 PRO CA C 64 61.556 61.556 62.236 -0.680 18869 408 1 2 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.191 -0.244 18869 409 1 2 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.433 0.030 18869 410 1 2 . 1 1 65 65 PRO C C 65 177.677 177.677 176.904 0.773 18869 411 1 2 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.204 0.274 18869 412 1 2 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.565 0.524 18869 413 1 2 . 1 1 66 66 GLY N N 66 109.177 109.177 113.055 -3.878 18869 414 1 2 . 1 1 66 66 GLY C C 66 173.968 173.968 173.242 0.726 18869 415 1 2 . 1 1 66 66 GLY CA C 66 45.248 45.248 45.092 0.156 18869 416 1 2 . 1 1 66 66 GLY H H 66 8.501 8.501 8.423 0.078 18869 417 1 2 . 1 1 67 67 ALA N N 67 123.867 123.867 125.402 -1.535 18869 418 1 2 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.376 0.012 18869 419 1 2 . 1 1 67 67 ALA C C 67 177.984 177.984 176.927 1.057 18869 420 1 2 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.227 0.331 18869 421 1 2 . 1 1 67 67 ALA CB C 67 19.392 19.392 18.191 1.201 18869 422 1 2 . 1 1 67 67 ALA H H 67 8.224 8.224 8.292 -0.068 18869 423 1 2 . 1 1 68 68 GLN N N 68 119.754 119.754 123.101 -3.347 18869 424 1 2 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.541 -0.152 18869 425 1 2 . 1 1 68 68 GLN C C 68 176.666 176.666 176.044 0.622 18869 426 1 2 . 1 1 68 68 GLN CA C 68 56.258 56.258 54.693 1.565 18869 427 1 2 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.471 0.040 18869 428 1 2 . 1 1 68 68 GLN H H 68 8.540 8.540 8.325 0.215 18869 429 1 2 . 1 1 69 69 GLY N N 69 110.258 110.258 106.459 3.799 18869 430 1 2 . 1 1 69 69 GLY C C 69 174.333 174.333 175.322 -0.989 18869 431 1 2 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.535 -0.020 18869 432 1 2 . 1 1 69 69 GLY H H 69 8.516 8.516 8.696 -0.180 18869 433 1 2 . 1 1 70 70 SER N N 70 116.141 116.141 116.157 -0.016 18869 434 1 2 . 1 1 70 70 SER HA H 70 4.504 4.504 4.233 0.271 18869 435 1 2 . 1 1 70 70 SER C C 70 174.792 174.792 176.671 -1.879 18869 436 1 2 . 1 1 70 70 SER CA C 70 58.792 58.792 60.300 -1.508 18869 437 1 2 . 1 1 70 70 SER CB C 70 64.011 64.011 63.320 0.691 18869 438 1 2 . 1 1 70 70 SER H H 70 8.387 8.387 8.147 0.240 18869 439 1 2 . 1 1 71 71 GLN N N 71 122.245 122.245 121.274 0.971 18869 440 1 2 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.309 0.096 18869 441 1 2 . 1 1 71 71 GLN C C 71 176.805 176.805 178.353 -1.548 18869 442 1 2 . 1 1 71 71 GLN CA C 71 57.233 57.233 57.510 -0.277 18869 443 1 2 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.346 0.765 18869 444 1 2 . 1 1 71 71 GLN H H 71 8.639 8.639 8.299 0.340 18869 445 1 2 . 1 1 72 72 SER N N 72 116.778 116.778 115.618 1.160 18869 446 1 2 . 1 1 72 72 SER HA H 72 4.536 4.536 4.118 0.418 18869 447 1 2 . 1 1 72 72 SER C C 72 175.305 175.305 176.051 -0.746 18869 448 1 2 . 1 1 72 72 SER CA C 72 59.356 59.356 61.610 -2.254 18869 449 1 2 . 1 1 72 72 SER CB C 72 63.977 63.977 62.903 1.074 18869 450 1 2 . 1 1 72 72 SER H H 72 8.516 8.516 7.937 0.579 18869 451 1 2 . 1 1 73 73 THR N N 73 119.063 119.063 116.047 3.016 18869 452 1 2 . 1 1 73 73 THR HA H 73 4.045 4.045 4.174 -0.129 18869 453 1 2 . 1 1 73 73 THR C C 73 176.016 176.016 176.423 -0.407 18869 454 1 2 . 1 1 73 73 THR CA C 73 65.705 65.705 64.879 0.826 18869 455 1 2 . 1 1 73 73 THR CB C 73 68.743 68.743 69.120 -0.377 18869 456 1 2 . 1 1 73 73 THR H H 73 8.305 8.305 7.700 0.605 18869 457 1 2 . 1 1 74 74 TYR N N 74 118.707 118.707 120.684 -1.977 18869 458 1 2 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.595 -0.321 18869 459 1 2 . 1 1 74 74 TYR C C 74 177.613 177.613 176.906 0.707 18869 460 1 2 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.158 0.946 18869 461 1 2 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.960 -0.843 18869 462 1 2 . 1 1 74 74 TYR H H 74 7.905 7.905 7.756 0.149 18869 463 1 2 . 1 1 75 75 THR N N 75 114.583 114.583 116.650 -2.067 18869 464 1 2 . 1 1 75 75 THR HA H 75 3.992 3.992 3.876 0.116 18869 465 1 2 . 1 1 75 75 THR C C 75 177.381 177.381 175.685 1.696 18869 466 1 2 . 1 1 75 75 THR CA C 75 66.363 66.363 66.893 -0.530 18869 467 1 2 . 1 1 75 75 THR CB C 75 68.324 68.324 68.056 0.268 18869 468 1 2 . 1 1 75 75 THR H H 75 8.027 8.027 8.043 -0.016 18869 469 1 2 . 1 1 76 76 ASP N N 76 124.495 124.495 121.922 2.573 18869 470 1 2 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.332 0.165 18869 471 1 2 . 1 1 76 76 ASP C C 76 178.510 178.510 177.877 0.633 18869 472 1 2 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.222 0.065 18869 473 1 2 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.845 -0.616 18869 474 1 2 . 1 1 76 76 ASP H H 76 8.293 8.293 7.923 0.370 18869 475 1 2 . 1 1 77 77 LEU N N 77 121.803 121.803 120.278 1.525 18869 476 1 2 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.949 0.054 18869 477 1 2 . 1 1 77 77 LEU C C 77 177.976 177.976 177.586 0.390 18869 478 1 2 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.837 0.187 18869 479 1 2 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.358 0.563 18869 480 1 2 . 1 1 77 77 LEU H H 77 8.301 8.301 7.361 0.940 18869 481 1 2 . 1 1 78 78 LEU N N 78 119.070 119.070 118.826 0.244 18869 482 1 2 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.812 0.225 18869 483 1 2 . 1 1 78 78 LEU C C 78 179.095 179.095 178.690 0.405 18869 484 1 2 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.972 0.673 18869 485 1 2 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.206 0.111 18869 486 1 2 . 1 1 78 78 LEU H H 78 8.380 8.380 7.484 0.896 18869 487 1 2 . 1 1 79 79 SER N N 79 114.297 114.297 114.164 0.133 18869 488 1 2 . 1 1 79 79 SER HA H 79 4.337 4.337 4.146 0.191 18869 489 1 2 . 1 1 79 79 SER C C 79 176.729 176.729 176.604 0.125 18869 490 1 2 . 1 1 79 79 SER CA C 79 62.031 62.031 61.441 0.590 18869 491 1 2 . 1 1 79 79 SER CB C 79 62.761 62.761 62.783 -0.022 18869 492 1 2 . 1 1 79 79 SER H H 79 7.976 7.976 7.588 0.388 18869 493 1 2 . 1 1 80 80 VAL N N 80 122.776 122.776 121.841 0.935 18869 494 1 2 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.589 0.272 18869 495 1 2 . 1 1 80 80 VAL C C 80 178.463 178.463 178.149 0.314 18869 496 1 2 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.593 -0.397 18869 497 1 2 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.562 0.350 18869 498 1 2 . 1 1 80 80 VAL H H 80 8.126 8.126 7.975 0.151 18869 499 1 2 . 1 1 81 81 ILE N N 81 121.312 121.312 118.760 2.552 18869 500 1 2 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.756 0.039 18869 501 1 2 . 1 1 81 81 ILE C C 81 177.475 177.475 178.517 -1.042 18869 502 1 2 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.950 1.175 18869 503 1 2 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.496 1.234 18869 504 1 2 . 1 1 81 81 ILE H H 81 8.236 8.236 8.024 0.212 18869 505 1 2 . 1 1 82 82 GLU N N 82 119.637 119.637 119.639 -0.002 18869 506 1 2 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.058 0.101 18869 507 1 2 . 1 1 82 82 GLU C C 82 180.592 180.592 178.863 1.729 18869 508 1 2 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.385 -0.207 18869 509 1 2 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.500 -0.233 18869 510 1 2 . 1 1 82 82 GLU H H 82 8.326 8.326 7.966 0.360 18869 511 1 2 . 1 1 83 83 GLU N N 83 119.955 119.955 118.200 1.755 18869 512 1 2 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.200 -0.141 18869 513 1 2 . 1 1 83 83 GLU C C 83 179.428 179.428 179.069 0.359 18869 514 1 2 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.155 1.435 18869 515 1 2 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.522 -0.251 18869 516 1 2 . 1 1 83 83 GLU H H 83 8.383 8.383 8.253 0.130 18869 517 1 2 . 1 1 84 84 MET N N 84 118.367 118.367 116.834 1.533 18869 518 1 2 . 1 1 84 84 MET HA H 84 4.066 4.066 4.481 -0.415 18869 519 1 2 . 1 1 84 84 MET C C 84 179.303 179.303 178.205 1.098 18869 520 1 2 . 1 1 84 84 MET CA C 84 60.047 60.047 58.434 1.613 18869 521 1 2 . 1 1 84 84 MET CB C 84 34.431 34.431 32.350 2.081 18869 522 1 2 . 1 1 84 84 MET H H 84 8.335 8.335 8.164 0.171 18869 523 1 2 . 1 1 85 85 GLY N N 85 104.067 104.067 107.455 -3.388 18869 524 1 2 . 1 1 85 85 GLY C C 85 176.612 176.612 175.233 1.379 18869 525 1 2 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.796 0.747 18869 526 1 2 . 1 1 85 85 GLY H H 85 8.219 8.219 7.961 0.258 18869 527 1 2 . 1 1 86 86 LYS N N 86 119.651 119.651 118.586 1.065 18869 528 1 2 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.282 -0.009 18869 529 1 2 . 1 1 86 86 LYS C C 86 177.390 177.390 178.446 -1.056 18869 530 1 2 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.304 0.177 18869 531 1 2 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.408 0.186 18869 532 1 2 . 1 1 86 86 LYS H H 86 7.585 7.585 7.542 0.043 18869 533 1 2 . 1 1 87 87 GLU N N 87 114.250 114.250 119.915 -5.665 18869 534 1 2 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.237 0.948 18869 535 1 2 . 1 1 87 87 GLU C C 87 179.381 179.381 178.247 1.134 18869 536 1 2 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.753 -2.950 18869 537 1 2 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.289 0.343 18869 538 1 2 . 1 1 87 87 GLU H H 87 7.710 7.710 7.565 0.145 18869 539 1 2 . 1 1 88 88 ILE N N 88 122.587 122.587 120.373 2.214 18869 540 1 2 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.710 -0.234 18869 541 1 2 . 1 1 88 88 ILE C C 88 175.990 175.990 177.490 -1.500 18869 542 1 2 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.122 2.389 18869 543 1 2 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.520 0.438 18869 544 1 2 . 1 1 88 88 ILE H H 88 7.471 7.471 7.703 -0.232 18869 545 1 2 . 1 1 89 89 ARG N N 89 118.954 118.954 120.367 -1.413 18869 546 1 2 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.316 0.053 18869 547 1 2 . 1 1 89 89 ARG C C 89 176.834 176.834 175.548 1.286 18869 548 1 2 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.555 -0.166 18869 549 1 2 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.572 -1.674 18869 550 1 2 . 1 1 89 89 ARG H H 89 8.983 8.983 7.644 1.339 18869 551 1 2 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.300 0.237 18869 552 1 2 . 1 1 90 90 PRO C C 90 178.848 178.848 178.786 0.062 18869 553 1 2 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.644 0.326 18869 554 1 2 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.223 -0.961 18869 555 1 2 . 1 1 91 91 THR N N 91 118.284 118.284 116.146 2.138 18869 556 1 2 . 1 1 91 91 THR HA H 91 4.461 4.461 4.226 0.235 18869 557 1 2 . 1 1 91 91 THR C C 91 176.982 176.982 177.075 -0.093 18869 558 1 2 . 1 1 91 91 THR CA C 91 67.247 67.247 67.276 -0.029 18869 559 1 2 . 1 1 91 91 THR CB C 91 69.454 69.454 68.541 0.913 18869 560 1 2 . 1 1 91 91 THR H H 91 7.734 7.734 7.957 -0.223 18869 561 1 2 . 1 1 92 92 TYR N N 92 123.739 123.739 123.260 0.479 18869 562 1 2 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.248 0.596 18869 563 1 2 . 1 1 92 92 TYR C C 92 177.320 177.320 175.877 1.443 18869 564 1 2 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.182 -1.374 18869 565 1 2 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.209 0.992 18869 566 1 2 . 1 1 92 92 TYR H H 92 8.420 8.420 8.191 0.229 18869 567 1 2 . 1 1 93 93 ALA N N 93 120.159 120.159 118.495 1.664 18869 568 1 2 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.321 -0.150 18869 569 1 2 . 1 1 93 93 ALA C C 93 177.685 177.685 177.590 0.095 18869 570 1 2 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.309 0.670 18869 571 1 2 . 1 1 93 93 ALA CB C 93 18.511 18.511 18.547 -0.036 18869 572 1 2 . 1 1 93 93 ALA H H 93 7.929 7.929 7.236 0.693 18869 573 1 2 . 1 1 94 94 GLY N N 94 108.770 108.770 107.067 1.703 18869 574 1 2 . 1 1 94 94 GLY C C 94 174.896 174.896 174.683 0.213 18869 575 1 2 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.218 0.664 18869 576 1 2 . 1 1 94 94 GLY H H 94 8.311 8.311 7.901 0.410 18869 577 1 2 . 1 1 95 95 SER N N 95 115.316 115.316 118.582 -3.266 18869 578 1 2 . 1 1 95 95 SER HA H 95 4.774 4.774 4.551 0.223 18869 579 1 2 . 1 1 95 95 SER C C 95 175.089 175.089 174.973 0.116 18869 580 1 2 . 1 1 95 95 SER CA C 95 57.083 57.083 57.705 -0.622 18869 581 1 2 . 1 1 95 95 SER CB C 95 62.543 62.543 62.465 0.078 18869 582 1 2 . 1 1 95 95 SER H H 95 8.363 8.363 7.961 0.402 18869 583 1 2 . 1 1 96 96 LYS N N 96 134.180 134.180 127.174 7.006 18869 584 1 2 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.050 -0.066 18869 585 1 2 . 1 1 96 96 LYS C C 96 178.195 178.195 178.077 0.118 18869 586 1 2 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.382 0.515 18869 587 1 2 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.907 1.040 18869 588 1 2 . 1 1 96 96 LYS H H 96 9.099 9.099 8.304 0.795 18869 589 1 2 . 1 1 97 97 SER N N 97 113.650 113.650 116.361 -2.711 18869 590 1 2 . 1 1 97 97 SER HA H 97 4.230 4.230 4.233 -0.003 18869 591 1 2 . 1 1 97 97 SER C C 97 177.304 177.304 176.519 0.785 18869 592 1 2 . 1 1 97 97 SER CA C 97 61.152 61.152 60.987 0.165 18869 593 1 2 . 1 1 97 97 SER CB C 97 62.101 62.101 62.239 -0.138 18869 594 1 2 . 1 1 97 97 SER H H 97 8.383 8.383 8.423 -0.040 18869 595 1 2 . 1 1 98 98 ALA N N 98 126.790 126.790 125.348 1.442 18869 596 1 2 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.490 -0.463 18869 597 1 2 . 1 1 98 98 ALA C C 98 178.317 178.317 179.876 -1.559 18869 598 1 2 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.694 0.613 18869 599 1 2 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.501 1.257 18869 600 1 2 . 1 1 98 98 ALA H H 98 7.771 7.771 7.661 0.110 18869 601 1 2 . 1 1 99 99 MET N N 99 119.910 119.910 119.074 0.836 18869 602 1 2 . 1 1 99 99 MET HA H 99 3.944 3.944 4.245 -0.301 18869 603 1 2 . 1 1 99 99 MET C C 99 178.584 178.584 178.227 0.357 18869 604 1 2 . 1 1 99 99 MET CA C 99 59.584 59.584 57.644 1.940 18869 605 1 2 . 1 1 99 99 MET H H 99 7.856 7.856 7.865 -0.009 18869 606 1 2 . 1 1 100 100 GLU N N 100 118.105 118.105 120.281 -2.176 18869 607 1 2 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.045 -0.062 18869 608 1 2 . 1 1 100 100 GLU C C 100 180.292 180.292 178.916 1.376 18869 609 1 2 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.736 -0.302 18869 610 1 2 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.279 -0.031 18869 611 1 2 . 1 1 100 100 GLU H H 100 8.255 8.255 8.314 -0.059 18869 612 1 2 . 1 1 101 101 ARG N N 101 120.780 120.780 118.949 1.831 18869 613 1 2 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.129 -0.096 18869 614 1 2 . 1 1 101 101 ARG C C 101 180.619 180.619 179.177 1.442 18869 615 1 2 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.694 2.103 18869 616 1 2 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.214 0.591 18869 617 1 2 . 1 1 101 101 ARG H H 101 7.973 7.973 7.557 0.416 18869 618 1 2 . 1 1 102 102 LEU N N 102 125.866 125.866 122.224 3.642 18869 619 1 2 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.130 0.013 18869 620 1 2 . 1 1 102 102 LEU C C 102 178.209 178.209 177.897 0.312 18869 621 1 2 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.769 1.423 18869 622 1 2 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.769 0.051 18869 623 1 2 . 1 1 102 102 LEU H H 102 8.781 8.781 8.196 0.585 18869 624 1 2 . 1 1 103 103 LYS N N 103 118.426 118.426 118.604 -0.178 18869 625 1 2 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.877 -0.029 18869 626 1 2 . 1 1 103 103 LYS C C 103 179.666 179.666 179.028 0.638 18869 627 1 2 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.246 0.353 18869 628 1 2 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.173 0.558 18869 629 1 2 . 1 1 103 103 LYS H H 103 8.573 8.573 8.016 0.557 18869 630 1 2 . 1 1 104 104 ARG N N 104 117.936 117.936 119.671 -1.735 18869 631 1 2 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.068 -0.018 18869 632 1 2 . 1 1 104 104 ARG C C 104 179.190 179.190 178.436 0.754 18869 633 1 2 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.069 0.467 18869 634 1 2 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.023 0.027 18869 635 1 2 . 1 1 104 104 ARG H H 104 8.154 8.154 7.968 0.186 18869 636 1 2 . 1 1 105 105 GLY N N 105 110.339 110.339 108.485 1.854 18869 637 1 2 . 1 1 105 105 GLY C C 105 174.974 174.974 176.219 -1.245 18869 638 1 2 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.251 0.456 18869 639 1 2 . 1 1 105 105 GLY H H 105 8.265 8.265 7.838 0.427 18869 640 1 2 . 1 1 106 106 ILE N N 106 122.669 122.669 122.649 0.020 18869 641 1 2 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.820 -0.099 18869 642 1 2 . 1 1 106 106 ILE C C 106 177.749 177.749 178.279 -0.530 18869 643 1 2 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.975 -0.864 18869 644 1 2 . 1 1 106 106 ILE CB C 106 36.286 36.286 37.829 -1.543 18869 645 1 2 . 1 1 106 106 ILE H H 106 8.028 8.028 7.474 0.554 18869 646 1 2 . 1 1 107 107 ILE N N 107 119.626 119.626 120.447 -0.821 18869 647 1 2 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.496 0.156 18869 648 1 2 . 1 1 107 107 ILE C C 107 179.292 179.292 177.968 1.324 18869 649 1 2 . 1 1 107 107 ILE CA C 107 65.307 65.307 66.094 -0.786 18869 650 1 2 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.559 0.850 18869 651 1 2 . 1 1 107 107 ILE H H 107 7.481 7.481 7.725 -0.244 18869 652 1 2 . 1 1 108 108 HIS N N 108 120.644 120.644 118.949 1.695 18869 653 1 2 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.219 0.483 18869 654 1 2 . 1 1 108 108 HIS C C 108 177.121 177.121 177.213 -0.092 18869 655 1 2 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.542 -1.978 18869 656 1 2 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.704 -0.260 18869 657 1 2 . 1 1 108 108 HIS H H 108 8.396 8.396 8.068 0.328 18869 658 1 2 . 1 1 109 109 ALA N N 109 121.460 121.460 121.755 -0.295 18869 659 1 2 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.866 0.042 18869 660 1 2 . 1 1 109 109 ALA C C 109 178.810 178.810 179.074 -0.264 18869 661 1 2 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.183 0.392 18869 662 1 2 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.510 -0.911 18869 663 1 2 . 1 1 109 109 ALA H H 109 9.416 9.416 8.332 1.084 18869 664 1 2 . 1 1 110 110 ARG N N 110 116.845 116.845 118.161 -1.316 18869 665 1 2 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.066 -0.333 18869 666 1 2 . 1 1 110 110 ARG C C 110 177.800 177.800 178.105 -0.305 18869 667 1 2 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.080 1.351 18869 668 1 2 . 1 1 110 110 ARG CB C 110 30.890 30.890 29.944 0.946 18869 669 1 2 . 1 1 110 110 ARG H H 110 8.579 8.579 8.265 0.314 18869 670 1 2 . 1 1 111 111 ALA N N 111 120.689 120.689 122.991 -2.302 18869 671 1 2 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.141 0.019 18869 672 1 2 . 1 1 111 111 ALA C C 111 181.315 181.315 179.499 1.816 18869 673 1 2 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.765 0.648 18869 674 1 2 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.463 -0.397 18869 675 1 2 . 1 1 111 111 ALA H H 111 7.808 7.808 7.419 0.389 18869 676 1 2 . 1 1 112 112 LEU N N 112 119.511 119.511 118.410 1.101 18869 677 1 2 . 1 1 112 112 LEU C C 112 179.788 179.788 179.310 0.478 18869 678 1 2 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.692 0.305 18869 679 1 2 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.717 1.156 18869 680 1 2 . 1 1 112 112 LEU H H 112 8.308 8.308 7.718 0.590 18869 681 1 2 . 1 1 113 113 VAL N N 113 119.879 119.879 117.695 2.184 18869 682 1 2 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.804 -0.250 18869 683 1 2 . 1 1 113 113 VAL C C 113 178.238 178.238 177.615 0.623 18869 684 1 2 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.631 1.010 18869 685 1 2 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.570 -0.194 18869 686 1 2 . 1 1 113 113 VAL H H 113 8.502 8.502 7.558 0.944 18869 687 1 2 . 1 1 114 114 ARG N N 114 118.928 118.928 119.455 -0.527 18869 688 1 2 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.074 -0.085 18869 689 1 2 . 1 1 114 114 ARG C C 114 179.368 179.368 178.400 0.968 18869 690 1 2 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.208 0.999 18869 691 1 2 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.653 -1.081 18869 692 1 2 . 1 1 114 114 ARG H H 114 8.335 8.335 8.031 0.304 18869 693 1 2 . 1 1 115 115 GLU N N 115 120.444 120.444 118.756 1.688 18869 694 1 2 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.248 -0.040 18869 695 1 2 . 1 1 115 115 GLU C C 115 178.931 178.931 178.667 0.264 18869 696 1 2 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.226 1.057 18869 697 1 2 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.299 -0.198 18869 698 1 2 . 1 1 115 115 GLU H H 115 7.971 7.971 8.203 -0.232 18869 699 1 2 . 1 1 116 116 CYS N N 116 118.789 118.789 120.293 -1.504 18869 700 1 2 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.305 -0.198 18869 701 1 2 . 1 1 116 116 CYS C C 116 177.264 177.264 176.382 0.882 18869 702 1 2 . 1 1 116 116 CYS CA C 116 62.959 62.959 59.969 2.990 18869 703 1 2 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.203 0.404 18869 704 1 2 . 1 1 116 116 CYS H H 116 7.989 7.989 7.596 0.393 18869 705 1 2 . 1 1 117 117 LEU N N 117 120.670 120.670 120.325 0.345 18869 706 1 2 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.801 0.147 18869 707 1 2 . 1 1 117 117 LEU C C 117 178.291 178.291 178.528 -0.237 18869 708 1 2 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.660 -0.391 18869 709 1 2 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.161 1.072 18869 710 1 2 . 1 1 117 117 LEU H H 117 8.028 8.028 7.940 0.088 18869 711 1 2 . 1 1 118 118 ALA N N 118 122.520 122.520 120.551 1.969 18869 712 1 2 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.963 0.241 18869 713 1 2 . 1 1 118 118 ALA C C 118 179.805 179.805 179.312 0.493 18869 714 1 2 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.142 -0.733 18869 715 1 2 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.087 0.283 18869 716 1 2 . 1 1 118 118 ALA H H 118 8.000 8.000 7.646 0.354 18869 717 1 2 . 1 1 119 119 GLU N N 119 118.901 118.901 117.110 1.791 18869 718 1 2 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.161 0.023 18869 719 1 2 . 1 1 119 119 GLU C C 119 178.082 178.082 178.784 -0.702 18869 720 1 2 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.560 -0.108 18869 721 1 2 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.556 0.110 18869 722 1 2 . 1 1 119 119 GLU H H 119 8.094 8.094 7.863 0.231 18869 723 1 2 . 1 1 120 120 THR N N 120 113.828 113.828 116.743 -2.915 18869 724 1 2 . 1 1 120 120 THR HA H 120 4.251 4.251 3.938 0.313 18869 725 1 2 . 1 1 120 120 THR C C 120 176.051 176.051 175.569 0.482 18869 726 1 2 . 1 1 120 120 THR CA C 120 64.664 64.664 66.198 -1.534 18869 727 1 2 . 1 1 120 120 THR CB C 120 69.543 69.543 68.611 0.932 18869 728 1 2 . 1 1 120 120 THR H H 120 7.976 7.976 7.860 0.116 18869 729 1 2 . 1 1 121 121 GLU N N 121 121.927 121.927 120.182 1.745 18869 730 1 2 . 1 1 121 121 GLU HA H 121 4.244 4.244 3.967 0.277 18869 731 1 2 . 1 1 121 121 GLU C C 121 177.730 177.730 177.659 0.071 18869 732 1 2 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.813 -0.889 18869 733 1 2 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.844 0.058 18869 734 1 2 . 1 1 121 121 GLU H H 121 8.073 8.073 7.925 0.148 18869 735 1 2 . 1 1 122 122 ARG N N 122 120.226 120.226 117.304 2.922 18869 736 1 2 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.143 0.111 18869 737 1 2 . 1 1 122 122 ARG C C 122 177.289 177.289 177.208 0.081 18869 738 1 2 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.512 0.199 18869 739 1 2 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.538 0.284 18869 740 1 2 . 1 1 122 122 ARG H H 122 8.081 8.081 7.532 0.549 18869 741 1 2 . 1 1 123 123 ASN N N 123 118.062 118.062 119.075 -1.013 18869 742 1 2 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.614 0.128 18869 743 1 2 . 1 1 123 123 ASN C C 123 175.035 175.035 174.068 0.967 18869 744 1 2 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.721 0.999 18869 745 1 2 . 1 1 123 123 ASN CB C 123 39.042 39.042 37.954 1.088 18869 746 1 2 . 1 1 123 123 ASN H H 123 8.229 8.229 7.600 0.629 18869 747 1 2 . 1 1 124 124 ALA N N 124 123.469 123.469 128.267 -4.798 18869 748 1 2 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.389 0.003 18869 749 1 2 . 1 1 124 124 ALA C C 124 177.587 177.587 177.038 0.549 18869 750 1 2 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.272 0.507 18869 751 1 2 . 1 1 124 124 ALA CB C 124 19.365 19.365 18.639 0.726 18869 752 1 2 . 1 1 124 124 ALA H H 124 7.989 7.989 7.862 0.127 18869 753 1 2 . 1 1 125 125 ARG N N 125 120.186 120.186 124.271 -4.085 18869 754 1 2 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.514 -0.028 18869 755 1 2 . 1 1 125 125 ARG C C 125 175.804 175.804 177.094 -1.290 18869 756 1 2 . 1 1 125 125 ARG CA C 125 56.252 56.252 57.033 -0.781 18869 757 1 2 . 1 1 125 125 ARG CB C 125 30.858 30.858 31.465 -0.607 18869 758 1 2 . 1 1 125 125 ARG H H 125 8.200 8.200 8.438 -0.238 18869 759 1 3 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.764 -0.027 18869 760 1 3 . 1 1 59 59 HIS C C 59 174.845 174.845 174.610 0.235 18869 761 1 3 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.087 0.344 18869 762 1 3 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.575 -0.021 18869 763 1 3 . 1 1 60 60 MET N N 60 121.666 121.666 126.897 -5.231 18869 764 1 3 . 1 1 60 60 MET HA H 60 4.462 4.462 4.588 -0.126 18869 765 1 3 . 1 1 60 60 MET C C 60 175.495 175.495 175.205 0.290 18869 766 1 3 . 1 1 60 60 MET CA C 60 55.475 55.475 54.536 0.939 18869 767 1 3 . 1 1 60 60 MET H H 60 8.324 8.324 8.711 -0.387 18869 768 1 3 . 1 1 61 61 ALA N N 61 125.934 125.934 129.047 -3.113 18869 769 1 3 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.759 -0.412 18869 770 1 3 . 1 1 61 61 ALA C C 61 177.394 177.394 177.128 0.266 18869 771 1 3 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.842 0.730 18869 772 1 3 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.369 0.106 18869 773 1 3 . 1 1 61 61 ALA H H 61 8.438 8.438 8.647 -0.209 18869 774 1 3 . 1 1 62 62 MET N N 62 120.125 120.125 121.993 -1.868 18869 775 1 3 . 1 1 62 62 MET HA H 62 4.489 4.489 4.443 0.046 18869 776 1 3 . 1 1 62 62 MET C C 62 175.850 175.850 176.181 -0.331 18869 777 1 3 . 1 1 62 62 MET CA C 62 55.350 55.350 55.732 -0.382 18869 778 1 3 . 1 1 62 62 MET H H 62 8.369 8.369 8.295 0.074 18869 779 1 3 . 1 1 63 63 LYS N N 63 124.280 124.280 120.479 3.801 18869 780 1 3 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.674 -0.029 18869 781 1 3 . 1 1 63 63 LYS C C 63 173.722 173.722 173.942 -0.220 18869 782 1 3 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.917 -0.675 18869 783 1 3 . 1 1 63 63 LYS CB C 63 32.640 32.640 32.146 0.494 18869 784 1 3 . 1 1 63 63 LYS H H 63 8.390 8.390 8.477 -0.087 18869 785 1 3 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.756 -0.013 18869 786 1 3 . 1 1 64 64 PRO CA C 64 61.556 61.556 62.003 -0.447 18869 787 1 3 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.270 -0.323 18869 788 1 3 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.401 0.062 18869 789 1 3 . 1 1 65 65 PRO C C 65 177.677 177.677 177.136 0.541 18869 790 1 3 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.705 0.773 18869 791 1 3 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.403 -0.314 18869 792 1 3 . 1 1 66 66 GLY N N 66 109.177 109.177 108.661 0.516 18869 793 1 3 . 1 1 66 66 GLY C C 66 173.968 173.968 174.662 -0.694 18869 794 1 3 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.508 0.740 18869 795 1 3 . 1 1 66 66 GLY H H 66 8.501 8.501 8.271 0.230 18869 796 1 3 . 1 1 67 67 ALA N N 67 123.867 123.867 126.648 -2.781 18869 797 1 3 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.208 0.180 18869 798 1 3 . 1 1 67 67 ALA C C 67 177.984 177.984 177.214 0.770 18869 799 1 3 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.717 -0.159 18869 800 1 3 . 1 1 67 67 ALA CB C 67 19.392 19.392 17.689 1.703 18869 801 1 3 . 1 1 67 67 ALA H H 67 8.224 8.224 8.441 -0.217 18869 802 1 3 . 1 1 68 68 GLN N N 68 119.754 119.754 119.996 -0.242 18869 803 1 3 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.748 -0.359 18869 804 1 3 . 1 1 68 68 GLN C C 68 176.666 176.666 175.433 1.233 18869 805 1 3 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.330 0.928 18869 806 1 3 . 1 1 68 68 GLN CB C 68 29.511 29.511 32.310 -2.799 18869 807 1 3 . 1 1 68 68 GLN H H 68 8.540 8.540 8.541 -0.001 18869 808 1 3 . 1 1 69 69 GLY N N 69 110.258 110.258 110.532 -0.274 18869 809 1 3 . 1 1 69 69 GLY C C 69 174.333 174.333 173.571 0.762 18869 810 1 3 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.627 -0.111 18869 811 1 3 . 1 1 69 69 GLY H H 69 8.516 8.516 8.323 0.193 18869 812 1 3 . 1 1 70 70 SER N N 70 116.141 116.141 118.238 -2.097 18869 813 1 3 . 1 1 70 70 SER HA H 70 4.504 4.504 4.423 0.081 18869 814 1 3 . 1 1 70 70 SER C C 70 174.792 174.792 175.752 -0.960 18869 815 1 3 . 1 1 70 70 SER CA C 70 58.792 58.792 59.181 -0.389 18869 816 1 3 . 1 1 70 70 SER CB C 70 64.011 64.011 63.516 0.495 18869 817 1 3 . 1 1 70 70 SER H H 70 8.387 8.387 8.715 -0.328 18869 818 1 3 . 1 1 71 71 GLN N N 71 122.245 122.245 120.207 2.038 18869 819 1 3 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.449 -0.045 18869 820 1 3 . 1 1 71 71 GLN C C 71 176.805 176.805 177.399 -0.594 18869 821 1 3 . 1 1 71 71 GLN CA C 71 57.233 57.233 55.959 1.274 18869 822 1 3 . 1 1 71 71 GLN CB C 71 29.111 29.111 29.158 -0.047 18869 823 1 3 . 1 1 71 71 GLN H H 71 8.639 8.639 8.540 0.099 18869 824 1 3 . 1 1 72 72 SER N N 72 116.778 116.778 116.279 0.499 18869 825 1 3 . 1 1 72 72 SER HA H 72 4.536 4.536 4.135 0.401 18869 826 1 3 . 1 1 72 72 SER C C 72 175.305 175.305 176.456 -1.151 18869 827 1 3 . 1 1 72 72 SER CA C 72 59.356 59.356 62.045 -2.689 18869 828 1 3 . 1 1 72 72 SER CB C 72 63.977 63.977 62.432 1.545 18869 829 1 3 . 1 1 72 72 SER H H 72 8.516 8.516 8.794 -0.278 18869 830 1 3 . 1 1 73 73 THR N N 73 119.063 119.063 118.269 0.794 18869 831 1 3 . 1 1 73 73 THR HA H 73 4.045 4.045 4.094 -0.049 18869 832 1 3 . 1 1 73 73 THR C C 73 176.016 176.016 176.328 -0.312 18869 833 1 3 . 1 1 73 73 THR CA C 73 65.705 65.705 66.661 -0.956 18869 834 1 3 . 1 1 73 73 THR CB C 73 68.743 68.743 68.745 -0.002 18869 835 1 3 . 1 1 73 73 THR H H 73 8.305 8.305 8.279 0.026 18869 836 1 3 . 1 1 74 74 TYR N N 74 118.707 118.707 122.312 -3.605 18869 837 1 3 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.377 -0.103 18869 838 1 3 . 1 1 74 74 TYR C C 74 177.613 177.613 177.175 0.438 18869 839 1 3 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.559 0.545 18869 840 1 3 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.366 -0.249 18869 841 1 3 . 1 1 74 74 TYR H H 74 7.905 7.905 7.824 0.081 18869 842 1 3 . 1 1 75 75 THR N N 75 114.583 114.583 115.183 -0.600 18869 843 1 3 . 1 1 75 75 THR HA H 75 3.992 3.992 3.948 0.044 18869 844 1 3 . 1 1 75 75 THR C C 75 177.381 177.381 176.189 1.192 18869 845 1 3 . 1 1 75 75 THR CA C 75 66.363 66.363 66.150 0.213 18869 846 1 3 . 1 1 75 75 THR CB C 75 68.324 68.324 68.145 0.178 18869 847 1 3 . 1 1 75 75 THR H H 75 8.027 8.027 8.196 -0.169 18869 848 1 3 . 1 1 76 76 ASP N N 76 124.495 124.495 122.955 1.540 18869 849 1 3 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.433 0.064 18869 850 1 3 . 1 1 76 76 ASP C C 76 178.510 178.510 177.978 0.532 18869 851 1 3 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.165 0.122 18869 852 1 3 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.913 -0.684 18869 853 1 3 . 1 1 76 76 ASP H H 76 8.293 8.293 8.048 0.245 18869 854 1 3 . 1 1 77 77 LEU N N 77 121.803 121.803 121.288 0.515 18869 855 1 3 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.894 0.109 18869 856 1 3 . 1 1 77 77 LEU C C 77 177.976 177.976 177.528 0.448 18869 857 1 3 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.937 0.087 18869 858 1 3 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.653 0.269 18869 859 1 3 . 1 1 77 77 LEU H H 77 8.301 8.301 7.424 0.877 18869 860 1 3 . 1 1 78 78 LEU N N 78 119.070 119.070 118.609 0.461 18869 861 1 3 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.823 0.214 18869 862 1 3 . 1 1 78 78 LEU C C 78 179.095 179.095 178.707 0.388 18869 863 1 3 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.894 0.752 18869 864 1 3 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.091 0.226 18869 865 1 3 . 1 1 78 78 LEU H H 78 8.380 8.380 7.383 0.997 18869 866 1 3 . 1 1 79 79 SER N N 79 114.297 114.297 114.448 -0.151 18869 867 1 3 . 1 1 79 79 SER HA H 79 4.337 4.337 4.205 0.132 18869 868 1 3 . 1 1 79 79 SER C C 79 176.729 176.729 176.538 0.191 18869 869 1 3 . 1 1 79 79 SER CA C 79 62.031 62.031 61.255 0.776 18869 870 1 3 . 1 1 79 79 SER CB C 79 62.761 62.761 62.692 0.069 18869 871 1 3 . 1 1 79 79 SER H H 79 7.976 7.976 7.630 0.346 18869 872 1 3 . 1 1 80 80 VAL N N 80 122.776 122.776 121.868 0.908 18869 873 1 3 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.623 0.238 18869 874 1 3 . 1 1 80 80 VAL C C 80 178.463 178.463 177.791 0.672 18869 875 1 3 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.897 -0.702 18869 876 1 3 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.325 0.587 18869 877 1 3 . 1 1 80 80 VAL H H 80 8.126 8.126 7.831 0.295 18869 878 1 3 . 1 1 81 81 ILE N N 81 121.312 121.312 119.463 1.849 18869 879 1 3 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.650 0.145 18869 880 1 3 . 1 1 81 81 ILE C C 81 177.475 177.475 178.173 -0.698 18869 881 1 3 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.091 1.034 18869 882 1 3 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.306 1.424 18869 883 1 3 . 1 1 81 81 ILE H H 81 8.236 8.236 7.998 0.238 18869 884 1 3 . 1 1 82 82 GLU N N 82 119.637 119.637 119.876 -0.239 18869 885 1 3 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.950 0.209 18869 886 1 3 . 1 1 82 82 GLU C C 82 180.592 180.592 179.050 1.542 18869 887 1 3 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.522 -0.344 18869 888 1 3 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.555 -0.287 18869 889 1 3 . 1 1 82 82 GLU H H 82 8.326 8.326 7.642 0.684 18869 890 1 3 . 1 1 83 83 GLU N N 83 119.955 119.955 119.387 0.568 18869 891 1 3 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.030 0.029 18869 892 1 3 . 1 1 83 83 GLU C C 83 179.428 179.428 179.281 0.147 18869 893 1 3 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.993 0.597 18869 894 1 3 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.276 -0.005 18869 895 1 3 . 1 1 83 83 GLU H H 83 8.383 8.383 8.073 0.310 18869 896 1 3 . 1 1 84 84 MET N N 84 118.367 118.367 117.855 0.512 18869 897 1 3 . 1 1 84 84 MET HA H 84 4.066 4.066 4.208 -0.142 18869 898 1 3 . 1 1 84 84 MET C C 84 179.303 179.303 178.955 0.348 18869 899 1 3 . 1 1 84 84 MET CA C 84 60.047 60.047 58.931 1.116 18869 900 1 3 . 1 1 84 84 MET CB C 84 34.431 34.431 32.678 1.753 18869 901 1 3 . 1 1 84 84 MET H H 84 8.335 8.335 8.299 0.036 18869 902 1 3 . 1 1 85 85 GLY N N 85 104.067 104.067 105.349 -1.282 18869 903 1 3 . 1 1 85 85 GLY C C 85 176.612 176.612 175.018 1.594 18869 904 1 3 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.746 0.797 18869 905 1 3 . 1 1 85 85 GLY H H 85 8.219 8.219 8.027 0.192 18869 906 1 3 . 1 1 86 86 LYS N N 86 119.651 119.651 120.219 -0.568 18869 907 1 3 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.215 0.058 18869 908 1 3 . 1 1 86 86 LYS C C 86 177.390 177.390 178.938 -1.548 18869 909 1 3 . 1 1 86 86 LYS CA C 86 58.481 58.481 59.199 -0.718 18869 910 1 3 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.682 -0.088 18869 911 1 3 . 1 1 86 86 LYS H H 86 7.585 7.585 7.391 0.194 18869 912 1 3 . 1 1 87 87 GLU N N 87 114.250 114.250 119.507 -5.257 18869 913 1 3 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.190 0.995 18869 914 1 3 . 1 1 87 87 GLU C C 87 179.381 179.381 178.599 0.782 18869 915 1 3 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.885 -3.082 18869 916 1 3 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.082 0.550 18869 917 1 3 . 1 1 87 87 GLU H H 87 7.710 7.710 7.645 0.065 18869 918 1 3 . 1 1 88 88 ILE N N 88 122.587 122.587 121.023 1.564 18869 919 1 3 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.672 -0.196 18869 920 1 3 . 1 1 88 88 ILE C C 88 175.990 175.990 177.475 -1.485 18869 921 1 3 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.221 2.290 18869 922 1 3 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.478 0.480 18869 923 1 3 . 1 1 88 88 ILE H H 88 7.471 7.471 7.649 -0.178 18869 924 1 3 . 1 1 89 89 ARG N N 89 118.954 118.954 120.738 -1.784 18869 925 1 3 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.228 0.141 18869 926 1 3 . 1 1 89 89 ARG C C 89 176.834 176.834 175.533 1.301 18869 927 1 3 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.737 -0.348 18869 928 1 3 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.537 -1.639 18869 929 1 3 . 1 1 89 89 ARG H H 89 8.983 8.983 7.780 1.203 18869 930 1 3 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.336 0.201 18869 931 1 3 . 1 1 90 90 PRO C C 90 178.848 178.848 178.556 0.292 18869 932 1 3 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.633 0.337 18869 933 1 3 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.183 -0.921 18869 934 1 3 . 1 1 91 91 THR N N 91 118.284 118.284 116.321 1.963 18869 935 1 3 . 1 1 91 91 THR HA H 91 4.461 4.461 4.233 0.228 18869 936 1 3 . 1 1 91 91 THR C C 91 176.982 176.982 177.204 -0.222 18869 937 1 3 . 1 1 91 91 THR CA C 91 67.247 67.247 67.435 -0.188 18869 938 1 3 . 1 1 91 91 THR CB C 91 69.454 69.454 68.568 0.886 18869 939 1 3 . 1 1 91 91 THR H H 91 7.734 7.734 7.651 0.083 18869 940 1 3 . 1 1 92 92 TYR N N 92 123.739 123.739 123.086 0.653 18869 941 1 3 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.234 0.611 18869 942 1 3 . 1 1 92 92 TYR C C 92 177.320 177.320 175.919 1.401 18869 943 1 3 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.486 -1.678 18869 944 1 3 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.308 0.893 18869 945 1 3 . 1 1 92 92 TYR H H 92 8.420 8.420 8.295 0.125 18869 946 1 3 . 1 1 93 93 ALA N N 93 120.159 120.159 118.215 1.944 18869 947 1 3 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.306 -0.135 18869 948 1 3 . 1 1 93 93 ALA C C 93 177.685 177.685 177.794 -0.109 18869 949 1 3 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.046 -0.067 18869 950 1 3 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.145 -0.634 18869 951 1 3 . 1 1 93 93 ALA H H 93 7.929 7.929 7.538 0.391 18869 952 1 3 . 1 1 94 94 GLY N N 94 108.770 108.770 106.721 2.049 18869 953 1 3 . 1 1 94 94 GLY C C 94 174.896 174.896 174.912 -0.016 18869 954 1 3 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.056 0.826 18869 955 1 3 . 1 1 94 94 GLY H H 94 8.311 8.311 7.713 0.598 18869 956 1 3 . 1 1 95 95 SER N N 95 115.316 115.316 119.568 -4.252 18869 957 1 3 . 1 1 95 95 SER HA H 95 4.774 4.774 4.543 0.231 18869 958 1 3 . 1 1 95 95 SER C C 95 175.089 175.089 175.159 -0.070 18869 959 1 3 . 1 1 95 95 SER CA C 95 57.083 57.083 57.781 -0.698 18869 960 1 3 . 1 1 95 95 SER CB C 95 62.543 62.543 62.709 -0.166 18869 961 1 3 . 1 1 95 95 SER H H 95 8.363 8.363 7.908 0.455 18869 962 1 3 . 1 1 96 96 LYS N N 96 134.180 134.180 128.349 5.831 18869 963 1 3 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.863 0.121 18869 964 1 3 . 1 1 96 96 LYS C C 96 178.195 178.195 178.354 -0.159 18869 965 1 3 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.655 0.242 18869 966 1 3 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.509 1.438 18869 967 1 3 . 1 1 96 96 LYS H H 96 9.099 9.099 8.346 0.753 18869 968 1 3 . 1 1 97 97 SER N N 97 113.650 113.650 115.239 -1.589 18869 969 1 3 . 1 1 97 97 SER HA H 97 4.230 4.230 4.147 0.083 18869 970 1 3 . 1 1 97 97 SER C C 97 177.304 177.304 176.415 0.889 18869 971 1 3 . 1 1 97 97 SER CA C 97 61.152 61.152 61.631 -0.479 18869 972 1 3 . 1 1 97 97 SER CB C 97 62.101 62.101 62.669 -0.568 18869 973 1 3 . 1 1 97 97 SER H H 97 8.383 8.383 8.537 -0.154 18869 974 1 3 . 1 1 98 98 ALA N N 98 126.790 126.790 124.064 2.726 18869 975 1 3 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.031 -0.004 18869 976 1 3 . 1 1 98 98 ALA C C 98 178.317 178.317 179.587 -1.270 18869 977 1 3 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.790 0.517 18869 978 1 3 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.178 1.580 18869 979 1 3 . 1 1 98 98 ALA H H 98 7.771 7.771 8.113 -0.342 18869 980 1 3 . 1 1 99 99 MET N N 99 119.910 119.910 119.705 0.205 18869 981 1 3 . 1 1 99 99 MET HA H 99 3.944 3.944 4.174 -0.230 18869 982 1 3 . 1 1 99 99 MET C C 99 178.584 178.584 178.226 0.358 18869 983 1 3 . 1 1 99 99 MET CA C 99 59.584 59.584 57.998 1.586 18869 984 1 3 . 1 1 99 99 MET H H 99 7.856 7.856 8.021 -0.165 18869 985 1 3 . 1 1 100 100 GLU N N 100 118.105 118.105 119.728 -1.623 18869 986 1 3 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.967 0.016 18869 987 1 3 . 1 1 100 100 GLU C C 100 180.292 180.292 179.116 1.176 18869 988 1 3 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.670 -0.236 18869 989 1 3 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.603 -0.355 18869 990 1 3 . 1 1 100 100 GLU H H 100 8.255 8.255 8.272 -0.017 18869 991 1 3 . 1 1 101 101 ARG N N 101 120.780 120.780 118.778 2.002 18869 992 1 3 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.176 -0.143 18869 993 1 3 . 1 1 101 101 ARG C C 101 180.619 180.619 179.053 1.566 18869 994 1 3 . 1 1 101 101 ARG CA C 101 60.797 60.797 57.892 2.905 18869 995 1 3 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.800 1.005 18869 996 1 3 . 1 1 101 101 ARG H H 101 7.973 7.973 7.999 -0.026 18869 997 1 3 . 1 1 102 102 LEU N N 102 125.866 125.866 122.196 3.670 18869 998 1 3 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.149 -0.006 18869 999 1 3 . 1 1 102 102 LEU C C 102 178.209 178.209 178.131 0.078 18869 1000 1 3 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.699 1.493 18869 1001 1 3 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.783 0.037 18869 1002 1 3 . 1 1 102 102 LEU H H 102 8.781 8.781 8.078 0.703 18869 1003 1 3 . 1 1 103 103 LYS N N 103 118.426 118.426 117.780 0.646 18869 1004 1 3 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.938 -0.090 18869 1005 1 3 . 1 1 103 103 LYS C C 103 179.666 179.666 178.994 0.672 18869 1006 1 3 . 1 1 103 103 LYS CA C 103 60.600 60.600 59.670 0.930 18869 1007 1 3 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.073 0.658 18869 1008 1 3 . 1 1 103 103 LYS H H 103 8.573 8.573 7.952 0.621 18869 1009 1 3 . 1 1 104 104 ARG N N 104 117.936 117.936 120.024 -2.088 18869 1010 1 3 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.102 -0.052 18869 1011 1 3 . 1 1 104 104 ARG C C 104 179.190 179.190 178.339 0.851 18869 1012 1 3 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.000 0.536 18869 1013 1 3 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.058 -0.008 18869 1014 1 3 . 1 1 104 104 ARG H H 104 8.154 8.154 7.589 0.565 18869 1015 1 3 . 1 1 105 105 GLY N N 105 110.339 110.339 107.723 2.616 18869 1016 1 3 . 1 1 105 105 GLY C C 105 174.974 174.974 176.163 -1.189 18869 1017 1 3 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.131 0.575 18869 1018 1 3 . 1 1 105 105 GLY H H 105 8.265 8.265 7.741 0.524 18869 1019 1 3 . 1 1 106 106 ILE N N 106 122.669 122.669 121.676 0.993 18869 1020 1 3 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.873 -0.152 18869 1021 1 3 . 1 1 106 106 ILE C C 106 177.749 177.749 178.071 -0.322 18869 1022 1 3 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.517 -0.406 18869 1023 1 3 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.080 -1.794 18869 1024 1 3 . 1 1 106 106 ILE H H 106 8.028 8.028 7.421 0.607 18869 1025 1 3 . 1 1 107 107 ILE N N 107 119.626 119.626 120.082 -0.456 18869 1026 1 3 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.572 0.080 18869 1027 1 3 . 1 1 107 107 ILE C C 107 179.292 179.292 177.928 1.364 18869 1028 1 3 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.595 -0.288 18869 1029 1 3 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.489 0.920 18869 1030 1 3 . 1 1 107 107 ILE H H 107 7.481 7.481 7.156 0.325 18869 1031 1 3 . 1 1 108 108 HIS N N 108 120.644 120.644 119.336 1.308 18869 1032 1 3 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.187 0.515 18869 1033 1 3 . 1 1 108 108 HIS C C 108 177.121 177.121 177.164 -0.043 18869 1034 1 3 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.452 -1.888 18869 1035 1 3 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.626 -0.182 18869 1036 1 3 . 1 1 108 108 HIS H H 108 8.396 8.396 7.765 0.631 18869 1037 1 3 . 1 1 109 109 ALA N N 109 121.460 121.460 122.063 -0.603 18869 1038 1 3 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.759 0.149 18869 1039 1 3 . 1 1 109 109 ALA C C 109 178.810 178.810 178.996 -0.186 18869 1040 1 3 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.418 0.157 18869 1041 1 3 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.220 -0.621 18869 1042 1 3 . 1 1 109 109 ALA H H 109 9.416 9.416 8.451 0.965 18869 1043 1 3 . 1 1 110 110 ARG N N 110 116.845 116.845 118.996 -2.151 18869 1044 1 3 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.092 -0.359 18869 1045 1 3 . 1 1 110 110 ARG C C 110 177.800 177.800 178.410 -0.610 18869 1046 1 3 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.805 1.626 18869 1047 1 3 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.309 0.581 18869 1048 1 3 . 1 1 110 110 ARG H H 110 8.579 8.579 8.189 0.390 18869 1049 1 3 . 1 1 111 111 ALA N N 111 120.689 120.689 123.677 -2.988 18869 1050 1 3 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.115 0.045 18869 1051 1 3 . 1 1 111 111 ALA C C 111 181.315 181.315 179.185 2.130 18869 1052 1 3 . 1 1 111 111 ALA CA C 111 55.413 55.413 55.121 0.292 18869 1053 1 3 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.452 -0.386 18869 1054 1 3 . 1 1 111 111 ALA H H 111 7.808 7.808 7.740 0.068 18869 1055 1 3 . 1 1 112 112 LEU N N 112 119.511 119.511 119.034 0.477 18869 1056 1 3 . 1 1 112 112 LEU C C 112 179.788 179.788 179.455 0.333 18869 1057 1 3 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.737 0.260 18869 1058 1 3 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.550 1.323 18869 1059 1 3 . 1 1 112 112 LEU H H 112 8.308 8.308 7.844 0.464 18869 1060 1 3 . 1 1 113 113 VAL N N 113 119.879 119.879 118.006 1.873 18869 1061 1 3 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.649 -0.095 18869 1062 1 3 . 1 1 113 113 VAL C C 113 178.238 178.238 177.980 0.258 18869 1063 1 3 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.298 1.343 18869 1064 1 3 . 1 1 113 113 VAL CB C 113 31.376 31.376 30.926 0.450 18869 1065 1 3 . 1 1 113 113 VAL H H 113 8.502 8.502 8.129 0.373 18869 1066 1 3 . 1 1 114 114 ARG N N 114 118.928 118.928 120.228 -1.300 18869 1067 1 3 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.942 0.047 18869 1068 1 3 . 1 1 114 114 ARG C C 114 179.368 179.368 178.656 0.712 18869 1069 1 3 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.731 0.476 18869 1070 1 3 . 1 1 114 114 ARG CB C 114 28.572 28.572 30.194 -1.621 18869 1071 1 3 . 1 1 114 114 ARG H H 114 8.335 8.335 7.778 0.557 18869 1072 1 3 . 1 1 115 115 GLU N N 115 120.444 120.444 118.022 2.422 18869 1073 1 3 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.145 0.063 18869 1074 1 3 . 1 1 115 115 GLU C C 115 178.931 178.931 179.038 -0.107 18869 1075 1 3 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.788 0.495 18869 1076 1 3 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.132 -0.031 18869 1077 1 3 . 1 1 115 115 GLU H H 115 7.971 7.971 8.383 -0.412 18869 1078 1 3 . 1 1 116 116 CYS N N 116 118.789 118.789 118.293 0.496 18869 1079 1 3 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.257 -0.150 18869 1080 1 3 . 1 1 116 116 CYS C C 116 177.264 177.264 176.579 0.685 18869 1081 1 3 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.217 0.743 18869 1082 1 3 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.973 -0.366 18869 1083 1 3 . 1 1 116 116 CYS H H 116 7.989 7.989 7.832 0.157 18869 1084 1 3 . 1 1 117 117 LEU N N 117 120.670 120.670 120.714 -0.044 18869 1085 1 3 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.795 0.153 18869 1086 1 3 . 1 1 117 117 LEU C C 117 178.291 178.291 178.763 -0.472 18869 1087 1 3 . 1 1 117 117 LEU CA C 117 57.269 57.269 58.081 -0.812 18869 1088 1 3 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.365 0.868 18869 1089 1 3 . 1 1 117 117 LEU H H 117 8.028 8.028 8.074 -0.046 18869 1090 1 3 . 1 1 118 118 ALA N N 118 122.520 122.520 119.982 2.538 18869 1091 1 3 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.028 0.176 18869 1092 1 3 . 1 1 118 118 ALA C C 118 179.805 179.805 178.512 1.293 18869 1093 1 3 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.766 -0.357 18869 1094 1 3 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.333 0.037 18869 1095 1 3 . 1 1 118 118 ALA H H 118 8.000 8.000 7.732 0.268 18869 1096 1 3 . 1 1 119 119 GLU N N 119 118.901 118.901 116.986 1.915 18869 1097 1 3 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.222 -0.038 18869 1098 1 3 . 1 1 119 119 GLU C C 119 178.082 178.082 178.995 -0.913 18869 1099 1 3 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.283 0.169 18869 1100 1 3 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.762 -0.096 18869 1101 1 3 . 1 1 119 119 GLU H H 119 8.094 8.094 7.869 0.225 18869 1102 1 3 . 1 1 120 120 THR N N 120 113.828 113.828 117.580 -3.752 18869 1103 1 3 . 1 1 120 120 THR HA H 120 4.251 4.251 3.979 0.272 18869 1104 1 3 . 1 1 120 120 THR C C 120 176.051 176.051 176.181 -0.130 18869 1105 1 3 . 1 1 120 120 THR CA C 120 64.664 64.664 65.998 -1.334 18869 1106 1 3 . 1 1 120 120 THR CB C 120 69.543 69.543 68.366 1.177 18869 1107 1 3 . 1 1 120 120 THR H H 120 7.976 7.976 8.377 -0.401 18869 1108 1 3 . 1 1 121 121 GLU N N 121 121.927 121.927 122.472 -0.545 18869 1109 1 3 . 1 1 121 121 GLU HA H 121 4.244 4.244 3.991 0.253 18869 1110 1 3 . 1 1 121 121 GLU C C 121 177.730 177.730 177.955 -0.225 18869 1111 1 3 . 1 1 121 121 GLU CA C 121 57.924 57.924 59.066 -1.142 18869 1112 1 3 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.453 0.449 18869 1113 1 3 . 1 1 121 121 GLU H H 121 8.073 8.073 7.819 0.254 18869 1114 1 3 . 1 1 122 122 ARG N N 122 120.226 120.226 118.101 2.125 18869 1115 1 3 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.105 0.149 18869 1116 1 3 . 1 1 122 122 ARG C C 122 177.289 177.289 176.552 0.737 18869 1117 1 3 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.198 0.513 18869 1118 1 3 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.635 0.187 18869 1119 1 3 . 1 1 122 122 ARG H H 122 8.081 8.081 7.575 0.506 18869 1120 1 3 . 1 1 123 123 ASN N N 123 118.062 118.062 117.325 0.737 18869 1121 1 3 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.772 -0.030 18869 1122 1 3 . 1 1 123 123 ASN C C 123 175.035 175.035 173.984 1.051 18869 1123 1 3 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.374 1.346 18869 1124 1 3 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.185 -0.143 18869 1125 1 3 . 1 1 123 123 ASN H H 123 8.229 8.229 7.701 0.528 18869 1126 1 3 . 1 1 124 124 ALA N N 124 123.469 123.469 128.411 -4.942 18869 1127 1 3 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.640 -0.248 18869 1128 1 3 . 1 1 124 124 ALA C C 124 177.587 177.587 177.295 0.292 18869 1129 1 3 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.528 1.251 18869 1130 1 3 . 1 1 124 124 ALA CB C 124 19.365 19.365 18.818 0.547 18869 1131 1 3 . 1 1 124 124 ALA H H 124 7.989 7.989 8.607 -0.618 18869 1132 1 3 . 1 1 125 125 ARG N N 125 120.186 120.186 120.998 -0.812 18869 1133 1 3 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.391 0.095 18869 1134 1 3 . 1 1 125 125 ARG C C 125 175.804 175.804 176.600 -0.796 18869 1135 1 3 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.646 -0.394 18869 1136 1 3 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.546 0.312 18869 1137 1 3 . 1 1 125 125 ARG H H 125 8.200 8.200 8.892 -0.692 18869 1138 1 4 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.840 -0.103 18869 1139 1 4 . 1 1 59 59 HIS C C 59 174.845 174.845 174.933 -0.088 18869 1140 1 4 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.363 1.069 18869 1141 1 4 . 1 1 59 59 HIS CB C 59 30.554 30.554 31.201 -0.647 18869 1142 1 4 . 1 1 60 60 MET N N 60 121.666 121.666 121.876 -0.210 18869 1143 1 4 . 1 1 60 60 MET HA H 60 4.462 4.462 4.164 0.298 18869 1144 1 4 . 1 1 60 60 MET C C 60 175.495 175.495 174.880 0.615 18869 1145 1 4 . 1 1 60 60 MET CA C 60 55.475 55.475 56.122 -0.647 18869 1146 1 4 . 1 1 60 60 MET H H 60 8.324 8.324 7.889 0.435 18869 1147 1 4 . 1 1 61 61 ALA N N 61 125.934 125.934 130.505 -4.571 18869 1148 1 4 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.572 -0.225 18869 1149 1 4 . 1 1 61 61 ALA C C 61 177.394 177.394 175.860 1.534 18869 1150 1 4 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.799 0.773 18869 1151 1 4 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.487 -0.012 18869 1152 1 4 . 1 1 61 61 ALA H H 61 8.438 8.438 8.546 -0.108 18869 1153 1 4 . 1 1 62 62 MET N N 62 120.125 120.125 119.052 1.073 18869 1154 1 4 . 1 1 62 62 MET HA H 62 4.489 4.489 5.159 -0.670 18869 1155 1 4 . 1 1 62 62 MET C C 62 175.850 175.850 174.128 1.722 18869 1156 1 4 . 1 1 62 62 MET CA C 62 55.350 55.350 54.528 0.822 18869 1157 1 4 . 1 1 62 62 MET H H 62 8.369 8.369 8.230 0.139 18869 1158 1 4 . 1 1 63 63 LYS N N 63 124.280 124.280 121.217 3.063 18869 1159 1 4 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.784 -0.139 18869 1160 1 4 . 1 1 63 63 LYS C C 63 173.722 173.722 173.771 -0.049 18869 1161 1 4 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.029 -0.787 18869 1162 1 4 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.939 -1.299 18869 1163 1 4 . 1 1 63 63 LYS H H 63 8.390 8.390 8.599 -0.209 18869 1164 1 4 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.632 0.111 18869 1165 1 4 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.834 -0.278 18869 1166 1 4 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.466 -0.519 18869 1167 1 4 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.330 0.133 18869 1168 1 4 . 1 1 65 65 PRO C C 65 177.677 177.677 176.760 0.917 18869 1169 1 4 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.923 0.555 18869 1170 1 4 . 1 1 65 65 PRO CB C 65 32.089 32.089 30.865 1.224 18869 1171 1 4 . 1 1 66 66 GLY N N 66 109.177 109.177 112.269 -3.092 18869 1172 1 4 . 1 1 66 66 GLY C C 66 173.968 173.968 173.920 0.048 18869 1173 1 4 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.495 0.753 18869 1174 1 4 . 1 1 66 66 GLY H H 66 8.501 8.501 7.976 0.525 18869 1175 1 4 . 1 1 67 67 ALA N N 67 123.867 123.867 126.358 -2.491 18869 1176 1 4 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.266 0.122 18869 1177 1 4 . 1 1 67 67 ALA C C 67 177.984 177.984 178.003 -0.019 18869 1178 1 4 . 1 1 67 67 ALA CA C 67 52.558 52.558 51.858 0.700 18869 1179 1 4 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.693 -0.301 18869 1180 1 4 . 1 1 67 67 ALA H H 67 8.224 8.224 7.610 0.614 18869 1181 1 4 . 1 1 68 68 GLN N N 68 119.754 119.754 123.018 -3.264 18869 1182 1 4 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.122 0.267 18869 1183 1 4 . 1 1 68 68 GLN C C 68 176.666 176.666 176.617 0.049 18869 1184 1 4 . 1 1 68 68 GLN CA C 68 56.258 56.258 58.323 -2.065 18869 1185 1 4 . 1 1 68 68 GLN CB C 68 29.511 29.511 28.797 0.713 18869 1186 1 4 . 1 1 68 68 GLN H H 68 8.540 8.540 8.662 -0.122 18869 1187 1 4 . 1 1 69 69 GLY N N 69 110.258 110.258 105.554 4.704 18869 1188 1 4 . 1 1 69 69 GLY C C 69 174.333 174.333 175.510 -1.177 18869 1189 1 4 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.834 0.682 18869 1190 1 4 . 1 1 69 69 GLY H H 69 8.516 8.516 7.912 0.604 18869 1191 1 4 . 1 1 70 70 SER N N 70 116.141 116.141 116.297 -0.156 18869 1192 1 4 . 1 1 70 70 SER HA H 70 4.504 4.504 4.271 0.233 18869 1193 1 4 . 1 1 70 70 SER C C 70 174.792 174.792 176.549 -1.757 18869 1194 1 4 . 1 1 70 70 SER CA C 70 58.792 58.792 60.427 -1.635 18869 1195 1 4 . 1 1 70 70 SER CB C 70 64.011 64.011 63.225 0.786 18869 1196 1 4 . 1 1 70 70 SER H H 70 8.387 8.387 8.148 0.239 18869 1197 1 4 . 1 1 71 71 GLN N N 71 122.245 122.245 119.553 2.692 18869 1198 1 4 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.335 0.069 18869 1199 1 4 . 1 1 71 71 GLN C C 71 176.805 176.805 177.593 -0.788 18869 1200 1 4 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.496 0.737 18869 1201 1 4 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.274 0.837 18869 1202 1 4 . 1 1 71 71 GLN H H 71 8.639 8.639 8.683 -0.044 18869 1203 1 4 . 1 1 72 72 SER N N 72 116.778 116.778 115.597 1.181 18869 1204 1 4 . 1 1 72 72 SER HA H 72 4.536 4.536 4.239 0.297 18869 1205 1 4 . 1 1 72 72 SER C C 72 175.305 175.305 176.460 -1.155 18869 1206 1 4 . 1 1 72 72 SER CA C 72 59.356 59.356 61.737 -2.381 18869 1207 1 4 . 1 1 72 72 SER CB C 72 63.977 63.977 62.812 1.165 18869 1208 1 4 . 1 1 72 72 SER H H 72 8.516 8.516 8.406 0.110 18869 1209 1 4 . 1 1 73 73 THR N N 73 119.063 119.063 117.454 1.609 18869 1210 1 4 . 1 1 73 73 THR HA H 73 4.045 4.045 4.213 -0.168 18869 1211 1 4 . 1 1 73 73 THR C C 73 176.016 176.016 176.698 -0.682 18869 1212 1 4 . 1 1 73 73 THR CA C 73 65.705 65.705 66.536 -0.831 18869 1213 1 4 . 1 1 73 73 THR CB C 73 68.743 68.743 68.638 0.105 18869 1214 1 4 . 1 1 73 73 THR H H 73 8.305 8.305 8.141 0.164 18869 1215 1 4 . 1 1 74 74 TYR N N 74 118.707 118.707 121.771 -3.064 18869 1216 1 4 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.436 -0.162 18869 1217 1 4 . 1 1 74 74 TYR C C 74 177.613 177.613 177.244 0.369 18869 1218 1 4 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.558 1.546 18869 1219 1 4 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.169 -0.052 18869 1220 1 4 . 1 1 74 74 TYR H H 74 7.905 7.905 7.724 0.181 18869 1221 1 4 . 1 1 75 75 THR N N 75 114.583 114.583 117.214 -2.631 18869 1222 1 4 . 1 1 75 75 THR HA H 75 3.992 3.992 3.787 0.205 18869 1223 1 4 . 1 1 75 75 THR C C 75 177.381 177.381 176.143 1.238 18869 1224 1 4 . 1 1 75 75 THR CA C 75 66.363 66.363 67.106 -0.743 18869 1225 1 4 . 1 1 75 75 THR CB C 75 68.324 68.324 68.427 -0.103 18869 1226 1 4 . 1 1 75 75 THR H H 75 8.027 8.027 8.159 -0.132 18869 1227 1 4 . 1 1 76 76 ASP N N 76 124.495 124.495 121.613 2.882 18869 1228 1 4 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.273 0.224 18869 1229 1 4 . 1 1 76 76 ASP C C 76 178.510 178.510 178.010 0.500 18869 1230 1 4 . 1 1 76 76 ASP CA C 76 57.287 57.287 58.001 -0.714 18869 1231 1 4 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.655 -0.426 18869 1232 1 4 . 1 1 76 76 ASP H H 76 8.293 8.293 8.271 0.022 18869 1233 1 4 . 1 1 77 77 LEU N N 77 121.803 121.803 120.787 1.016 18869 1234 1 4 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.905 0.098 18869 1235 1 4 . 1 1 77 77 LEU C C 77 177.976 177.976 177.851 0.125 18869 1236 1 4 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.784 0.240 18869 1237 1 4 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.632 0.290 18869 1238 1 4 . 1 1 77 77 LEU H H 77 8.301 8.301 7.165 1.136 18869 1239 1 4 . 1 1 78 78 LEU N N 78 119.070 119.070 118.641 0.429 18869 1240 1 4 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.739 0.298 18869 1241 1 4 . 1 1 78 78 LEU C C 78 179.095 179.095 178.561 0.534 18869 1242 1 4 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.072 0.574 18869 1243 1 4 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.401 -0.084 18869 1244 1 4 . 1 1 78 78 LEU H H 78 8.380 8.380 7.332 1.048 18869 1245 1 4 . 1 1 79 79 SER N N 79 114.297 114.297 115.002 -0.705 18869 1246 1 4 . 1 1 79 79 SER HA H 79 4.337 4.337 4.152 0.185 18869 1247 1 4 . 1 1 79 79 SER C C 79 176.729 176.729 176.589 0.140 18869 1248 1 4 . 1 1 79 79 SER CA C 79 62.031 62.031 62.369 -0.338 18869 1249 1 4 . 1 1 79 79 SER CB C 79 62.761 62.761 63.029 -0.268 18869 1250 1 4 . 1 1 79 79 SER H H 79 7.976 7.976 7.488 0.488 18869 1251 1 4 . 1 1 80 80 VAL N N 80 122.776 122.776 123.749 -0.973 18869 1252 1 4 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.932 -0.071 18869 1253 1 4 . 1 1 80 80 VAL C C 80 178.463 178.463 177.899 0.564 18869 1254 1 4 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.349 -0.154 18869 1255 1 4 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.257 0.655 18869 1256 1 4 . 1 1 80 80 VAL H H 80 8.126 8.126 8.050 0.076 18869 1257 1 4 . 1 1 81 81 ILE N N 81 121.312 121.312 119.750 1.562 18869 1258 1 4 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.661 0.134 18869 1259 1 4 . 1 1 81 81 ILE C C 81 177.475 177.475 178.105 -0.630 18869 1260 1 4 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.046 1.079 18869 1261 1 4 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.099 1.631 18869 1262 1 4 . 1 1 81 81 ILE H H 81 8.236 8.236 7.929 0.307 18869 1263 1 4 . 1 1 82 82 GLU N N 82 119.637 119.637 120.159 -0.522 18869 1264 1 4 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.960 0.199 18869 1265 1 4 . 1 1 82 82 GLU C C 82 180.592 180.592 179.176 1.416 18869 1266 1 4 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.521 -0.343 18869 1267 1 4 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.322 -0.055 18869 1268 1 4 . 1 1 82 82 GLU H H 82 8.326 8.326 7.683 0.643 18869 1269 1 4 . 1 1 83 83 GLU N N 83 119.955 119.955 119.115 0.840 18869 1270 1 4 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.049 0.010 18869 1271 1 4 . 1 1 83 83 GLU C C 83 179.428 179.428 179.337 0.091 18869 1272 1 4 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.781 0.809 18869 1273 1 4 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.546 -0.275 18869 1274 1 4 . 1 1 83 83 GLU H H 83 8.383 8.383 8.079 0.304 18869 1275 1 4 . 1 1 84 84 MET N N 84 118.367 118.367 118.438 -0.071 18869 1276 1 4 . 1 1 84 84 MET HA H 84 4.066 4.066 4.107 -0.041 18869 1277 1 4 . 1 1 84 84 MET C C 84 179.303 179.303 178.487 0.816 18869 1278 1 4 . 1 1 84 84 MET CA C 84 60.047 60.047 59.268 0.779 18869 1279 1 4 . 1 1 84 84 MET CB C 84 34.431 34.431 32.682 1.749 18869 1280 1 4 . 1 1 84 84 MET H H 84 8.335 8.335 8.124 0.211 18869 1281 1 4 . 1 1 85 85 GLY N N 85 104.067 104.067 104.500 -0.433 18869 1282 1 4 . 1 1 85 85 GLY C C 85 176.612 176.612 174.894 1.718 18869 1283 1 4 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.444 1.099 18869 1284 1 4 . 1 1 85 85 GLY H H 85 8.219 8.219 7.925 0.294 18869 1285 1 4 . 1 1 86 86 LYS N N 86 119.651 119.651 120.002 -0.351 18869 1286 1 4 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.170 0.103 18869 1287 1 4 . 1 1 86 86 LYS C C 86 177.390 177.390 178.670 -1.280 18869 1288 1 4 . 1 1 86 86 LYS CA C 86 58.481 58.481 59.154 -0.673 18869 1289 1 4 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.629 -0.035 18869 1290 1 4 . 1 1 86 86 LYS H H 86 7.585 7.585 7.333 0.252 18869 1291 1 4 . 1 1 87 87 GLU N N 87 114.250 114.250 119.135 -4.885 18869 1292 1 4 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.217 0.968 18869 1293 1 4 . 1 1 87 87 GLU C C 87 179.381 179.381 178.742 0.639 18869 1294 1 4 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.694 -2.891 18869 1295 1 4 . 1 1 87 87 GLU CB C 87 29.632 29.632 28.722 0.910 18869 1296 1 4 . 1 1 87 87 GLU H H 87 7.710 7.710 7.614 0.096 18869 1297 1 4 . 1 1 88 88 ILE N N 88 122.587 122.587 121.168 1.419 18869 1298 1 4 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.641 -0.165 18869 1299 1 4 . 1 1 88 88 ILE C C 88 175.990 175.990 177.602 -1.612 18869 1300 1 4 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.251 2.260 18869 1301 1 4 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.590 0.367 18869 1302 1 4 . 1 1 88 88 ILE H H 88 7.471 7.471 7.591 -0.120 18869 1303 1 4 . 1 1 89 89 ARG N N 89 118.954 118.954 120.290 -1.336 18869 1304 1 4 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.244 0.125 18869 1305 1 4 . 1 1 89 89 ARG C C 89 176.834 176.834 175.635 1.199 18869 1306 1 4 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.552 -0.163 18869 1307 1 4 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.612 -1.714 18869 1308 1 4 . 1 1 89 89 ARG H H 89 8.983 8.983 7.668 1.315 18869 1309 1 4 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.365 0.172 18869 1310 1 4 . 1 1 90 90 PRO C C 90 178.848 178.848 178.207 0.641 18869 1311 1 4 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.398 0.572 18869 1312 1 4 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.346 -1.084 18869 1313 1 4 . 1 1 91 91 THR N N 91 118.284 118.284 116.630 1.654 18869 1314 1 4 . 1 1 91 91 THR HA H 91 4.461 4.461 4.207 0.254 18869 1315 1 4 . 1 1 91 91 THR C C 91 176.982 176.982 177.198 -0.216 18869 1316 1 4 . 1 1 91 91 THR CA C 91 67.247 67.247 67.075 0.173 18869 1317 1 4 . 1 1 91 91 THR CB C 91 69.454 69.454 68.809 0.645 18869 1318 1 4 . 1 1 91 91 THR H H 91 7.734 7.734 8.061 -0.327 18869 1319 1 4 . 1 1 92 92 TYR N N 92 123.739 123.739 123.123 0.616 18869 1320 1 4 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.228 0.616 18869 1321 1 4 . 1 1 92 92 TYR C C 92 177.320 177.320 176.093 1.227 18869 1322 1 4 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.522 -1.714 18869 1323 1 4 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.427 0.774 18869 1324 1 4 . 1 1 92 92 TYR H H 92 8.420 8.420 8.369 0.051 18869 1325 1 4 . 1 1 93 93 ALA N N 93 120.159 120.159 117.958 2.201 18869 1326 1 4 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.360 -0.189 18869 1327 1 4 . 1 1 93 93 ALA C C 93 177.685 177.685 177.789 -0.104 18869 1328 1 4 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.899 0.080 18869 1329 1 4 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.117 -0.606 18869 1330 1 4 . 1 1 93 93 ALA H H 93 7.929 7.929 7.534 0.395 18869 1331 1 4 . 1 1 94 94 GLY N N 94 108.770 108.770 106.971 1.799 18869 1332 1 4 . 1 1 94 94 GLY C C 94 174.896 174.896 174.998 -0.102 18869 1333 1 4 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.030 0.852 18869 1334 1 4 . 1 1 94 94 GLY H H 94 8.311 8.311 7.746 0.565 18869 1335 1 4 . 1 1 95 95 SER N N 95 115.316 115.316 118.875 -3.559 18869 1336 1 4 . 1 1 95 95 SER HA H 95 4.774 4.774 4.496 0.278 18869 1337 1 4 . 1 1 95 95 SER C C 95 175.089 175.089 174.995 0.094 18869 1338 1 4 . 1 1 95 95 SER CA C 95 57.083 57.083 57.725 -0.642 18869 1339 1 4 . 1 1 95 95 SER CB C 95 62.543 62.543 62.203 0.340 18869 1340 1 4 . 1 1 95 95 SER H H 95 8.363 8.363 8.094 0.269 18869 1341 1 4 . 1 1 96 96 LYS N N 96 134.180 134.180 127.371 6.809 18869 1342 1 4 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.014 -0.030 18869 1343 1 4 . 1 1 96 96 LYS C C 96 178.195 178.195 178.182 0.013 18869 1344 1 4 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.344 0.553 18869 1345 1 4 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.881 1.066 18869 1346 1 4 . 1 1 96 96 LYS H H 96 9.099 9.099 8.215 0.884 18869 1347 1 4 . 1 1 97 97 SER N N 97 113.650 113.650 116.487 -2.837 18869 1348 1 4 . 1 1 97 97 SER HA H 97 4.230 4.230 4.230 0.000 18869 1349 1 4 . 1 1 97 97 SER C C 97 177.304 177.304 176.343 0.961 18869 1350 1 4 . 1 1 97 97 SER CA C 97 61.152 61.152 61.081 0.071 18869 1351 1 4 . 1 1 97 97 SER CB C 97 62.101 62.101 62.073 0.028 18869 1352 1 4 . 1 1 97 97 SER H H 97 8.383 8.383 8.388 -0.005 18869 1353 1 4 . 1 1 98 98 ALA N N 98 126.790 126.790 124.442 2.348 18869 1354 1 4 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.138 -0.111 18869 1355 1 4 . 1 1 98 98 ALA C C 98 178.317 178.317 179.579 -1.262 18869 1356 1 4 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.824 0.483 18869 1357 1 4 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.122 1.637 18869 1358 1 4 . 1 1 98 98 ALA H H 98 7.771 7.771 7.462 0.309 18869 1359 1 4 . 1 1 99 99 MET N N 99 119.910 119.910 119.069 0.841 18869 1360 1 4 . 1 1 99 99 MET HA H 99 3.944 3.944 4.119 -0.175 18869 1361 1 4 . 1 1 99 99 MET C C 99 178.584 178.584 178.105 0.479 18869 1362 1 4 . 1 1 99 99 MET CA C 99 59.584 59.584 58.939 0.645 18869 1363 1 4 . 1 1 99 99 MET H H 99 7.856 7.856 8.096 -0.240 18869 1364 1 4 . 1 1 100 100 GLU N N 100 118.105 118.105 119.340 -1.235 18869 1365 1 4 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.070 -0.087 18869 1366 1 4 . 1 1 100 100 GLU C C 100 180.292 180.292 178.729 1.563 18869 1367 1 4 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.353 0.081 18869 1368 1 4 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.207 0.041 18869 1369 1 4 . 1 1 100 100 GLU H H 100 8.255 8.255 7.973 0.282 18869 1370 1 4 . 1 1 101 101 ARG N N 101 120.780 120.780 119.523 1.257 18869 1371 1 4 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.175 -0.142 18869 1372 1 4 . 1 1 101 101 ARG C C 101 180.619 180.619 178.989 1.630 18869 1373 1 4 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.706 2.091 18869 1374 1 4 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.268 0.537 18869 1375 1 4 . 1 1 101 101 ARG H H 101 7.973 7.973 7.678 0.295 18869 1376 1 4 . 1 1 102 102 LEU N N 102 125.866 125.866 121.855 4.011 18869 1377 1 4 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.127 0.016 18869 1378 1 4 . 1 1 102 102 LEU C C 102 178.209 178.209 178.008 0.201 18869 1379 1 4 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.746 1.446 18869 1380 1 4 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.893 -0.073 18869 1381 1 4 . 1 1 102 102 LEU H H 102 8.781 8.781 8.204 0.577 18869 1382 1 4 . 1 1 103 103 LYS N N 103 118.426 118.426 119.549 -1.123 18869 1383 1 4 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.869 -0.021 18869 1384 1 4 . 1 1 103 103 LYS C C 103 179.666 179.666 179.134 0.532 18869 1385 1 4 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.615 -0.015 18869 1386 1 4 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.197 0.534 18869 1387 1 4 . 1 1 103 103 LYS H H 103 8.573 8.573 8.284 0.289 18869 1388 1 4 . 1 1 104 104 ARG N N 104 117.936 117.936 118.261 -0.325 18869 1389 1 4 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.110 -0.060 18869 1390 1 4 . 1 1 104 104 ARG C C 104 179.190 179.190 179.032 0.158 18869 1391 1 4 . 1 1 104 104 ARG CA C 104 59.536 59.536 58.897 0.639 18869 1392 1 4 . 1 1 104 104 ARG CB C 104 30.050 30.050 29.945 0.104 18869 1393 1 4 . 1 1 104 104 ARG H H 104 8.154 8.154 8.362 -0.208 18869 1394 1 4 . 1 1 105 105 GLY N N 105 110.339 110.339 108.865 1.474 18869 1395 1 4 . 1 1 105 105 GLY C C 105 174.974 174.974 175.917 -0.943 18869 1396 1 4 . 1 1 105 105 GLY CA C 105 47.706 47.706 46.823 0.883 18869 1397 1 4 . 1 1 105 105 GLY H H 105 8.265 8.265 7.845 0.420 18869 1398 1 4 . 1 1 106 106 ILE N N 106 122.669 122.669 123.808 -1.139 18869 1399 1 4 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.857 -0.136 18869 1400 1 4 . 1 1 106 106 ILE C C 106 177.749 177.749 178.146 -0.397 18869 1401 1 4 . 1 1 106 106 ILE CA C 106 63.111 63.111 64.013 -0.902 18869 1402 1 4 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.072 -1.786 18869 1403 1 4 . 1 1 106 106 ILE H H 106 8.028 8.028 7.969 0.059 18869 1404 1 4 . 1 1 107 107 ILE N N 107 119.626 119.626 118.943 0.683 18869 1405 1 4 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.571 0.081 18869 1406 1 4 . 1 1 107 107 ILE C C 107 179.292 179.292 178.114 1.178 18869 1407 1 4 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.499 -0.192 18869 1408 1 4 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.521 0.888 18869 1409 1 4 . 1 1 107 107 ILE H H 107 7.481 7.481 7.932 -0.451 18869 1410 1 4 . 1 1 108 108 HIS N N 108 120.644 120.644 119.412 1.232 18869 1411 1 4 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.324 0.378 18869 1412 1 4 . 1 1 108 108 HIS C C 108 177.121 177.121 176.957 0.164 18869 1413 1 4 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.036 -1.472 18869 1414 1 4 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.649 -0.205 18869 1415 1 4 . 1 1 108 108 HIS H H 108 8.396 8.396 7.902 0.494 18869 1416 1 4 . 1 1 109 109 ALA N N 109 121.460 121.460 121.697 -0.237 18869 1417 1 4 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.974 -0.066 18869 1418 1 4 . 1 1 109 109 ALA C C 109 178.810 178.810 179.272 -0.462 18869 1419 1 4 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.029 0.546 18869 1420 1 4 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.263 -0.664 18869 1421 1 4 . 1 1 109 109 ALA H H 109 9.416 9.416 8.401 1.015 18869 1422 1 4 . 1 1 110 110 ARG N N 110 116.845 116.845 119.094 -2.249 18869 1423 1 4 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.067 -0.334 18869 1424 1 4 . 1 1 110 110 ARG C C 110 177.800 177.800 178.226 -0.426 18869 1425 1 4 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.140 1.291 18869 1426 1 4 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.256 0.634 18869 1427 1 4 . 1 1 110 110 ARG H H 110 8.579 8.579 8.465 0.114 18869 1428 1 4 . 1 1 111 111 ALA N N 111 120.689 120.689 122.584 -1.895 18869 1429 1 4 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.134 0.026 18869 1430 1 4 . 1 1 111 111 ALA C C 111 181.315 181.315 179.335 1.980 18869 1431 1 4 . 1 1 111 111 ALA CA C 111 55.413 55.413 55.067 0.346 18869 1432 1 4 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.516 -0.450 18869 1433 1 4 . 1 1 111 111 ALA H H 111 7.808 7.808 7.528 0.280 18869 1434 1 4 . 1 1 112 112 LEU N N 112 119.511 119.511 118.182 1.329 18869 1435 1 4 . 1 1 112 112 LEU C C 112 179.788 179.788 179.345 0.443 18869 1436 1 4 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.318 0.679 18869 1437 1 4 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.859 1.014 18869 1438 1 4 . 1 1 112 112 LEU H H 112 8.308 8.308 7.637 0.671 18869 1439 1 4 . 1 1 113 113 VAL N N 113 119.879 119.879 119.356 0.523 18869 1440 1 4 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.672 -0.118 18869 1441 1 4 . 1 1 113 113 VAL C C 113 178.238 178.238 177.500 0.738 18869 1442 1 4 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.759 0.882 18869 1443 1 4 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.666 -0.290 18869 1444 1 4 . 1 1 113 113 VAL H H 113 8.502 8.502 8.175 0.327 18869 1445 1 4 . 1 1 114 114 ARG N N 114 118.928 118.928 119.214 -0.286 18869 1446 1 4 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.079 -0.090 18869 1447 1 4 . 1 1 114 114 ARG C C 114 179.368 179.368 178.706 0.662 18869 1448 1 4 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.342 0.865 18869 1449 1 4 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.665 -1.093 18869 1450 1 4 . 1 1 114 114 ARG H H 114 8.335 8.335 8.076 0.259 18869 1451 1 4 . 1 1 115 115 GLU N N 115 120.444 120.444 119.576 0.868 18869 1452 1 4 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.177 0.031 18869 1453 1 4 . 1 1 115 115 GLU C C 115 178.931 178.931 178.403 0.528 18869 1454 1 4 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.732 0.551 18869 1455 1 4 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.129 -0.028 18869 1456 1 4 . 1 1 115 115 GLU H H 115 7.971 7.971 8.239 -0.268 18869 1457 1 4 . 1 1 116 116 CYS N N 116 118.789 118.789 119.565 -0.776 18869 1458 1 4 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.127 -0.020 18869 1459 1 4 . 1 1 116 116 CYS C C 116 177.264 177.264 176.665 0.599 18869 1460 1 4 . 1 1 116 116 CYS CA C 116 62.959 62.959 61.655 1.304 18869 1461 1 4 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.863 -0.256 18869 1462 1 4 . 1 1 116 116 CYS H H 116 7.989 7.989 7.615 0.374 18869 1463 1 4 . 1 1 117 117 LEU N N 117 120.670 120.670 120.496 0.174 18869 1464 1 4 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.843 0.105 18869 1465 1 4 . 1 1 117 117 LEU C C 117 178.291 178.291 178.663 -0.372 18869 1466 1 4 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.750 -0.481 18869 1467 1 4 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.460 0.773 18869 1468 1 4 . 1 1 117 117 LEU H H 117 8.028 8.028 8.381 -0.353 18869 1469 1 4 . 1 1 118 118 ALA N N 118 122.520 122.520 120.202 2.318 18869 1470 1 4 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.263 -0.059 18869 1471 1 4 . 1 1 118 118 ALA C C 118 179.805 179.805 179.277 0.528 18869 1472 1 4 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.732 -0.323 18869 1473 1 4 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.444 -0.074 18869 1474 1 4 . 1 1 118 118 ALA H H 118 8.000 8.000 7.892 0.108 18869 1475 1 4 . 1 1 119 119 GLU N N 119 118.901 118.901 115.911 2.990 18869 1476 1 4 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.168 0.016 18869 1477 1 4 . 1 1 119 119 GLU C C 119 178.082 178.082 178.427 -0.345 18869 1478 1 4 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.322 0.130 18869 1479 1 4 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.683 -0.017 18869 1480 1 4 . 1 1 119 119 GLU H H 119 8.094 8.094 7.810 0.284 18869 1481 1 4 . 1 1 120 120 THR N N 120 113.828 113.828 116.334 -2.506 18869 1482 1 4 . 1 1 120 120 THR HA H 120 4.251 4.251 3.990 0.261 18869 1483 1 4 . 1 1 120 120 THR C C 120 176.051 176.051 175.273 0.778 18869 1484 1 4 . 1 1 120 120 THR CA C 120 64.664 64.664 66.753 -2.089 18869 1485 1 4 . 1 1 120 120 THR CB C 120 69.543 69.543 68.719 0.825 18869 1486 1 4 . 1 1 120 120 THR H H 120 7.976 7.976 8.187 -0.211 18869 1487 1 4 . 1 1 121 121 GLU N N 121 121.927 121.927 119.751 2.176 18869 1488 1 4 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.033 0.211 18869 1489 1 4 . 1 1 121 121 GLU C C 121 177.730 177.730 178.894 -1.164 18869 1490 1 4 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.683 -0.759 18869 1491 1 4 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.300 0.602 18869 1492 1 4 . 1 1 121 121 GLU H H 121 8.073 8.073 8.018 0.055 18869 1493 1 4 . 1 1 122 122 ARG N N 122 120.226 120.226 118.330 1.896 18869 1494 1 4 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.266 -0.012 18869 1495 1 4 . 1 1 122 122 ARG C C 122 177.289 177.289 177.740 -0.451 18869 1496 1 4 . 1 1 122 122 ARG CA C 122 57.711 57.711 58.166 -0.455 18869 1497 1 4 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.705 0.117 18869 1498 1 4 . 1 1 122 122 ARG H H 122 8.081 8.081 7.472 0.609 18869 1499 1 4 . 1 1 123 123 ASN N N 123 118.062 118.062 116.598 1.464 18869 1500 1 4 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.917 -0.175 18869 1501 1 4 . 1 1 123 123 ASN C C 123 175.035 175.035 175.162 -0.127 18869 1502 1 4 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.678 1.042 18869 1503 1 4 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.578 0.464 18869 1504 1 4 . 1 1 123 123 ASN H H 123 8.229 8.229 8.183 0.046 18869 1505 1 4 . 1 1 124 124 ALA N N 124 123.469 123.469 123.393 0.076 18869 1506 1 4 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.153 0.239 18869 1507 1 4 . 1 1 124 124 ALA C C 124 177.587 177.587 177.893 -0.306 18869 1508 1 4 . 1 1 124 124 ALA CA C 124 52.779 52.779 54.129 -1.350 18869 1509 1 4 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.163 0.202 18869 1510 1 4 . 1 1 124 124 ALA H H 124 7.989 7.989 7.675 0.314 18869 1511 1 4 . 1 1 125 125 ARG N N 125 120.186 120.186 119.681 0.505 18869 1512 1 4 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.636 -0.150 18869 1513 1 4 . 1 1 125 125 ARG C C 125 175.804 175.804 175.830 -0.026 18869 1514 1 4 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.425 0.827 18869 1515 1 4 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.541 0.317 18869 1516 1 4 . 1 1 125 125 ARG H H 125 8.200 8.200 8.200 -0.000 18869 1517 1 5 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.730 0.007 18869 1518 1 5 . 1 1 59 59 HIS C C 59 174.845 174.845 173.909 0.936 18869 1519 1 5 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.521 -0.089 18869 1520 1 5 . 1 1 59 59 HIS CB C 59 30.554 30.554 29.067 1.487 18869 1521 1 5 . 1 1 60 60 MET N N 60 121.666 121.666 122.745 -1.079 18869 1522 1 5 . 1 1 60 60 MET HA H 60 4.462 4.462 4.489 -0.027 18869 1523 1 5 . 1 1 60 60 MET C C 60 175.495 175.495 175.339 0.156 18869 1524 1 5 . 1 1 60 60 MET CA C 60 55.475 55.475 54.081 1.395 18869 1525 1 5 . 1 1 60 60 MET H H 60 8.324 8.324 7.789 0.535 18869 1526 1 5 . 1 1 61 61 ALA N N 61 125.934 125.934 125.314 0.620 18869 1527 1 5 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.367 -0.020 18869 1528 1 5 . 1 1 61 61 ALA C C 61 177.394 177.394 177.173 0.221 18869 1529 1 5 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.959 0.613 18869 1530 1 5 . 1 1 61 61 ALA CB C 61 19.475 19.475 17.373 2.102 18869 1531 1 5 . 1 1 61 61 ALA H H 61 8.438 8.438 8.399 0.039 18869 1532 1 5 . 1 1 62 62 MET N N 62 120.125 120.125 119.691 0.434 18869 1533 1 5 . 1 1 62 62 MET HA H 62 4.489 4.489 4.360 0.129 18869 1534 1 5 . 1 1 62 62 MET C C 62 175.850 175.850 175.811 0.039 18869 1535 1 5 . 1 1 62 62 MET CA C 62 55.350 55.350 56.217 -0.867 18869 1536 1 5 . 1 1 62 62 MET H H 62 8.369 8.369 7.896 0.473 18869 1537 1 5 . 1 1 63 63 LYS N N 63 124.280 124.280 124.768 -0.488 18869 1538 1 5 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.647 -0.002 18869 1539 1 5 . 1 1 63 63 LYS C C 63 173.722 173.722 173.740 -0.018 18869 1540 1 5 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.485 -1.243 18869 1541 1 5 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.497 -0.857 18869 1542 1 5 . 1 1 63 63 LYS H H 63 8.390 8.390 8.419 -0.029 18869 1543 1 5 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.764 -0.021 18869 1544 1 5 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.660 -0.104 18869 1545 1 5 . 1 1 64 64 PRO CB C 64 30.947 30.947 32.139 -1.192 18869 1546 1 5 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.342 0.121 18869 1547 1 5 . 1 1 65 65 PRO C C 65 177.677 177.677 178.011 -0.334 18869 1548 1 5 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.776 -0.298 18869 1549 1 5 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.984 0.105 18869 1550 1 5 . 1 1 66 66 GLY N N 66 109.177 109.177 108.198 0.979 18869 1551 1 5 . 1 1 66 66 GLY C C 66 173.968 173.968 173.691 0.277 18869 1552 1 5 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.508 0.740 18869 1553 1 5 . 1 1 66 66 GLY H H 66 8.501 8.501 8.292 0.209 18869 1554 1 5 . 1 1 67 67 ALA N N 67 123.867 123.867 124.348 -0.481 18869 1555 1 5 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.560 -0.172 18869 1556 1 5 . 1 1 67 67 ALA C C 67 177.984 177.984 176.753 1.231 18869 1557 1 5 . 1 1 67 67 ALA CA C 67 52.558 52.558 51.653 0.905 18869 1558 1 5 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.312 0.080 18869 1559 1 5 . 1 1 67 67 ALA H H 67 8.224 8.224 7.691 0.533 18869 1560 1 5 . 1 1 68 68 GLN N N 68 119.754 119.754 120.918 -1.164 18869 1561 1 5 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.319 0.070 18869 1562 1 5 . 1 1 68 68 GLN C C 68 176.666 176.666 175.439 1.227 18869 1563 1 5 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.934 0.324 18869 1564 1 5 . 1 1 68 68 GLN CB C 68 29.511 29.511 27.843 1.668 18869 1565 1 5 . 1 1 68 68 GLN H H 68 8.540 8.540 8.114 0.426 18869 1566 1 5 . 1 1 69 69 GLY N N 69 110.258 110.258 113.644 -3.386 18869 1567 1 5 . 1 1 69 69 GLY C C 69 174.333 174.333 172.924 1.409 18869 1568 1 5 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.516 1.000 18869 1569 1 5 . 1 1 69 69 GLY H H 69 8.516 8.516 8.405 0.110 18869 1570 1 5 . 1 1 70 70 SER N N 70 116.141 116.141 116.969 -0.828 18869 1571 1 5 . 1 1 70 70 SER HA H 70 4.504 4.504 4.785 -0.281 18869 1572 1 5 . 1 1 70 70 SER C C 70 174.792 174.792 175.919 -1.127 18869 1573 1 5 . 1 1 70 70 SER CA C 70 58.792 58.792 56.717 2.075 18869 1574 1 5 . 1 1 70 70 SER CB C 70 64.011 64.011 64.526 -0.515 18869 1575 1 5 . 1 1 70 70 SER H H 70 8.387 8.387 7.939 0.448 18869 1576 1 5 . 1 1 71 71 GLN N N 71 122.245 122.245 121.048 1.197 18869 1577 1 5 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.271 0.133 18869 1578 1 5 . 1 1 71 71 GLN C C 71 176.805 176.805 177.631 -0.826 18869 1579 1 5 . 1 1 71 71 GLN CA C 71 57.233 57.233 58.407 -1.175 18869 1580 1 5 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.192 0.919 18869 1581 1 5 . 1 1 71 71 GLN H H 71 8.639 8.639 8.818 -0.179 18869 1582 1 5 . 1 1 72 72 SER N N 72 116.778 116.778 114.388 2.390 18869 1583 1 5 . 1 1 72 72 SER HA H 72 4.536 4.536 4.173 0.363 18869 1584 1 5 . 1 1 72 72 SER C C 72 175.305 175.305 175.905 -0.600 18869 1585 1 5 . 1 1 72 72 SER CA C 72 59.356 59.356 61.434 -2.078 18869 1586 1 5 . 1 1 72 72 SER CB C 72 63.977 63.977 62.371 1.606 18869 1587 1 5 . 1 1 72 72 SER H H 72 8.516 8.516 8.552 -0.036 18869 1588 1 5 . 1 1 73 73 THR N N 73 119.063 119.063 114.855 4.208 18869 1589 1 5 . 1 1 73 73 THR HA H 73 4.045 4.045 4.237 -0.192 18869 1590 1 5 . 1 1 73 73 THR C C 73 176.016 176.016 176.733 -0.717 18869 1591 1 5 . 1 1 73 73 THR CA C 73 65.705 65.705 64.666 1.039 18869 1592 1 5 . 1 1 73 73 THR CB C 73 68.743 68.743 69.279 -0.536 18869 1593 1 5 . 1 1 73 73 THR H H 73 8.305 8.305 7.490 0.815 18869 1594 1 5 . 1 1 74 74 TYR N N 74 118.707 118.707 122.109 -3.402 18869 1595 1 5 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.525 -0.251 18869 1596 1 5 . 1 1 74 74 TYR C C 74 177.613 177.613 177.362 0.251 18869 1597 1 5 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.356 1.748 18869 1598 1 5 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.453 -0.336 18869 1599 1 5 . 1 1 74 74 TYR H H 74 7.905 7.905 7.952 -0.047 18869 1600 1 5 . 1 1 75 75 THR N N 75 114.583 114.583 116.163 -1.580 18869 1601 1 5 . 1 1 75 75 THR HA H 75 3.992 3.992 3.813 0.179 18869 1602 1 5 . 1 1 75 75 THR C C 75 177.381 177.381 175.739 1.642 18869 1603 1 5 . 1 1 75 75 THR CA C 75 66.363 66.363 66.368 -0.005 18869 1604 1 5 . 1 1 75 75 THR CB C 75 68.324 68.324 67.836 0.488 18869 1605 1 5 . 1 1 75 75 THR H H 75 8.027 8.027 8.196 -0.169 18869 1606 1 5 . 1 1 76 76 ASP N N 76 124.495 124.495 122.431 2.064 18869 1607 1 5 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.297 0.200 18869 1608 1 5 . 1 1 76 76 ASP C C 76 178.510 178.510 177.704 0.806 18869 1609 1 5 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.342 -0.055 18869 1610 1 5 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.865 -0.636 18869 1611 1 5 . 1 1 76 76 ASP H H 76 8.293 8.293 7.629 0.664 18869 1612 1 5 . 1 1 77 77 LEU N N 77 121.803 121.803 120.499 1.304 18869 1613 1 5 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.914 0.089 18869 1614 1 5 . 1 1 77 77 LEU C C 77 177.976 177.976 177.461 0.515 18869 1615 1 5 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.630 0.394 18869 1616 1 5 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.581 0.341 18869 1617 1 5 . 1 1 77 77 LEU H H 77 8.301 8.301 7.359 0.942 18869 1618 1 5 . 1 1 78 78 LEU N N 78 119.070 119.070 118.877 0.193 18869 1619 1 5 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.795 0.242 18869 1620 1 5 . 1 1 78 78 LEU C C 78 179.095 179.095 178.099 0.996 18869 1621 1 5 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.079 0.567 18869 1622 1 5 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.460 -0.143 18869 1623 1 5 . 1 1 78 78 LEU H H 78 8.380 8.380 7.374 1.006 18869 1624 1 5 . 1 1 79 79 SER N N 79 114.297 114.297 114.983 -0.686 18869 1625 1 5 . 1 1 79 79 SER HA H 79 4.337 4.337 4.066 0.271 18869 1626 1 5 . 1 1 79 79 SER C C 79 176.729 176.729 176.374 0.355 18869 1627 1 5 . 1 1 79 79 SER CA C 79 62.031 62.031 62.282 -0.252 18869 1628 1 5 . 1 1 79 79 SER CB C 79 62.761 62.761 62.727 0.034 18869 1629 1 5 . 1 1 79 79 SER H H 79 7.976 7.976 7.486 0.490 18869 1630 1 5 . 1 1 80 80 VAL N N 80 122.776 122.776 121.633 1.143 18869 1631 1 5 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.507 0.354 18869 1632 1 5 . 1 1 80 80 VAL C C 80 178.463 178.463 177.763 0.700 18869 1633 1 5 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.125 0.070 18869 1634 1 5 . 1 1 80 80 VAL CB C 80 31.912 31.912 30.538 1.374 18869 1635 1 5 . 1 1 80 80 VAL H H 80 8.126 8.126 7.459 0.667 18869 1636 1 5 . 1 1 81 81 ILE N N 81 121.312 121.312 119.155 2.157 18869 1637 1 5 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.680 0.115 18869 1638 1 5 . 1 1 81 81 ILE C C 81 177.475 177.475 178.259 -0.784 18869 1639 1 5 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.928 1.197 18869 1640 1 5 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.217 1.513 18869 1641 1 5 . 1 1 81 81 ILE H H 81 8.236 8.236 8.115 0.121 18869 1642 1 5 . 1 1 82 82 GLU N N 82 119.637 119.637 120.043 -0.406 18869 1643 1 5 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.940 0.219 18869 1644 1 5 . 1 1 82 82 GLU C C 82 180.592 180.592 179.085 1.507 18869 1645 1 5 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.541 -0.362 18869 1646 1 5 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.519 -0.252 18869 1647 1 5 . 1 1 82 82 GLU H H 82 8.326 8.326 7.625 0.701 18869 1648 1 5 . 1 1 83 83 GLU N N 83 119.955 119.955 119.101 0.854 18869 1649 1 5 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.004 0.055 18869 1650 1 5 . 1 1 83 83 GLU C C 83 179.428 179.428 179.210 0.218 18869 1651 1 5 . 1 1 83 83 GLU CA C 83 59.590 59.590 59.088 0.502 18869 1652 1 5 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.232 0.039 18869 1653 1 5 . 1 1 83 83 GLU H H 83 8.383 8.383 8.095 0.288 18869 1654 1 5 . 1 1 84 84 MET N N 84 118.367 118.367 118.236 0.131 18869 1655 1 5 . 1 1 84 84 MET HA H 84 4.066 4.066 4.133 -0.067 18869 1656 1 5 . 1 1 84 84 MET C C 84 179.303 179.303 178.701 0.602 18869 1657 1 5 . 1 1 84 84 MET CA C 84 60.047 60.047 59.111 0.936 18869 1658 1 5 . 1 1 84 84 MET CB C 84 34.431 34.431 32.559 1.873 18869 1659 1 5 . 1 1 84 84 MET H H 84 8.335 8.335 7.902 0.433 18869 1660 1 5 . 1 1 85 85 GLY N N 85 104.067 104.067 104.691 -0.624 18869 1661 1 5 . 1 1 85 85 GLY C C 85 176.612 176.612 175.053 1.559 18869 1662 1 5 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.498 1.045 18869 1663 1 5 . 1 1 85 85 GLY H H 85 8.219 8.219 8.108 0.111 18869 1664 1 5 . 1 1 86 86 LYS N N 86 119.651 119.651 120.634 -0.983 18869 1665 1 5 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.191 0.082 18869 1666 1 5 . 1 1 86 86 LYS C C 86 177.390 177.390 178.263 -0.873 18869 1667 1 5 . 1 1 86 86 LYS CA C 86 58.481 58.481 59.401 -0.920 18869 1668 1 5 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.857 -0.263 18869 1669 1 5 . 1 1 86 86 LYS H H 86 7.585 7.585 7.460 0.125 18869 1670 1 5 . 1 1 87 87 GLU N N 87 114.250 114.250 119.307 -5.057 18869 1671 1 5 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.245 0.940 18869 1672 1 5 . 1 1 87 87 GLU C C 87 179.381 179.381 178.184 1.197 18869 1673 1 5 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.393 -2.590 18869 1674 1 5 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.101 0.531 18869 1675 1 5 . 1 1 87 87 GLU H H 87 7.710 7.710 7.587 0.123 18869 1676 1 5 . 1 1 88 88 ILE N N 88 122.587 122.587 120.561 2.026 18869 1677 1 5 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.761 -0.285 18869 1678 1 5 . 1 1 88 88 ILE C C 88 175.990 175.990 177.581 -1.591 18869 1679 1 5 . 1 1 88 88 ILE CA C 88 67.511 67.511 64.778 2.732 18869 1680 1 5 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.440 0.519 18869 1681 1 5 . 1 1 88 88 ILE H H 88 7.471 7.471 7.653 -0.182 18869 1682 1 5 . 1 1 89 89 ARG N N 89 118.954 118.954 121.352 -2.398 18869 1683 1 5 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.306 0.063 18869 1684 1 5 . 1 1 89 89 ARG C C 89 176.834 176.834 175.190 1.644 18869 1685 1 5 . 1 1 89 89 ARG CA C 89 61.389 61.389 60.342 1.048 18869 1686 1 5 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.823 -0.925 18869 1687 1 5 . 1 1 89 89 ARG H H 89 8.983 8.983 7.621 1.362 18869 1688 1 5 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.322 0.215 18869 1689 1 5 . 1 1 90 90 PRO C C 90 178.848 178.848 178.322 0.526 18869 1690 1 5 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.668 0.302 18869 1691 1 5 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.252 -0.990 18869 1692 1 5 . 1 1 91 91 THR N N 91 118.284 118.284 115.601 2.683 18869 1693 1 5 . 1 1 91 91 THR HA H 91 4.461 4.461 4.256 0.205 18869 1694 1 5 . 1 1 91 91 THR C C 91 176.982 176.982 177.030 -0.048 18869 1695 1 5 . 1 1 91 91 THR CA C 91 67.247 67.247 67.164 0.083 18869 1696 1 5 . 1 1 91 91 THR CB C 91 69.454 69.454 68.709 0.745 18869 1697 1 5 . 1 1 91 91 THR H H 91 7.734 7.734 7.623 0.111 18869 1698 1 5 . 1 1 92 92 TYR N N 92 123.739 123.739 122.726 1.013 18869 1699 1 5 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.265 0.579 18869 1700 1 5 . 1 1 92 92 TYR C C 92 177.320 177.320 175.895 1.425 18869 1701 1 5 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.366 -1.558 18869 1702 1 5 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.456 0.745 18869 1703 1 5 . 1 1 92 92 TYR H H 92 8.420 8.420 8.139 0.281 18869 1704 1 5 . 1 1 93 93 ALA N N 93 120.159 120.159 118.127 2.032 18869 1705 1 5 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.276 -0.105 18869 1706 1 5 . 1 1 93 93 ALA C C 93 177.685 177.685 177.900 -0.215 18869 1707 1 5 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.212 -0.233 18869 1708 1 5 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.134 -0.623 18869 1709 1 5 . 1 1 93 93 ALA H H 93 7.929 7.929 7.583 0.346 18869 1710 1 5 . 1 1 94 94 GLY N N 94 108.770 108.770 106.216 2.554 18869 1711 1 5 . 1 1 94 94 GLY C C 94 174.896 174.896 174.963 -0.067 18869 1712 1 5 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.079 0.803 18869 1713 1 5 . 1 1 94 94 GLY H H 94 8.311 8.311 7.702 0.609 18869 1714 1 5 . 1 1 95 95 SER N N 95 115.316 115.316 119.695 -4.379 18869 1715 1 5 . 1 1 95 95 SER HA H 95 4.774 4.774 4.510 0.264 18869 1716 1 5 . 1 1 95 95 SER C C 95 175.089 175.089 175.089 0.000 18869 1717 1 5 . 1 1 95 95 SER CA C 95 57.083 57.083 57.887 -0.804 18869 1718 1 5 . 1 1 95 95 SER CB C 95 62.543 62.543 62.554 -0.011 18869 1719 1 5 . 1 1 95 95 SER H H 95 8.363 8.363 7.957 0.406 18869 1720 1 5 . 1 1 96 96 LYS N N 96 134.180 134.180 127.760 6.420 18869 1721 1 5 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.957 0.027 18869 1722 1 5 . 1 1 96 96 LYS C C 96 178.195 178.195 178.275 -0.080 18869 1723 1 5 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.497 0.400 18869 1724 1 5 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.600 1.347 18869 1725 1 5 . 1 1 96 96 LYS H H 96 9.099 9.099 8.221 0.878 18869 1726 1 5 . 1 1 97 97 SER N N 97 113.650 113.650 115.005 -1.355 18869 1727 1 5 . 1 1 97 97 SER HA H 97 4.230 4.230 4.447 -0.217 18869 1728 1 5 . 1 1 97 97 SER C C 97 177.304 177.304 176.460 0.844 18869 1729 1 5 . 1 1 97 97 SER CA C 97 61.152 61.152 60.768 0.384 18869 1730 1 5 . 1 1 97 97 SER CB C 97 62.101 62.101 62.902 -0.801 18869 1731 1 5 . 1 1 97 97 SER H H 97 8.383 8.383 8.487 -0.104 18869 1732 1 5 . 1 1 98 98 ALA N N 98 126.790 126.790 124.005 2.785 18869 1733 1 5 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.079 -0.052 18869 1734 1 5 . 1 1 98 98 ALA C C 98 178.317 178.317 179.196 -0.879 18869 1735 1 5 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.385 0.923 18869 1736 1 5 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.470 1.288 18869 1737 1 5 . 1 1 98 98 ALA H H 98 7.771 7.771 8.099 -0.328 18869 1738 1 5 . 1 1 99 99 MET N N 99 119.910 119.910 119.892 0.018 18869 1739 1 5 . 1 1 99 99 MET HA H 99 3.944 3.944 4.127 -0.183 18869 1740 1 5 . 1 1 99 99 MET C C 99 178.584 178.584 177.888 0.696 18869 1741 1 5 . 1 1 99 99 MET CA C 99 59.584 59.584 58.856 0.728 18869 1742 1 5 . 1 1 99 99 MET H H 99 7.856 7.856 7.852 0.004 18869 1743 1 5 . 1 1 100 100 GLU N N 100 118.105 118.105 118.026 0.079 18869 1744 1 5 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.970 0.013 18869 1745 1 5 . 1 1 100 100 GLU C C 100 180.292 180.292 178.908 1.384 18869 1746 1 5 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.206 0.228 18869 1747 1 5 . 1 1 100 100 GLU CB C 100 29.248 29.248 28.957 0.291 18869 1748 1 5 . 1 1 100 100 GLU H H 100 8.255 8.255 8.381 -0.126 18869 1749 1 5 . 1 1 101 101 ARG N N 101 120.780 120.780 120.811 -0.031 18869 1750 1 5 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.135 -0.102 18869 1751 1 5 . 1 1 101 101 ARG C C 101 180.619 180.619 178.465 2.154 18869 1752 1 5 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.142 2.655 18869 1753 1 5 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.713 1.092 18869 1754 1 5 . 1 1 101 101 ARG H H 101 7.973 7.973 7.578 0.395 18869 1755 1 5 . 1 1 102 102 LEU N N 102 125.866 125.866 120.726 5.140 18869 1756 1 5 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.108 0.035 18869 1757 1 5 . 1 1 102 102 LEU C C 102 178.209 178.209 178.499 -0.290 18869 1758 1 5 . 1 1 102 102 LEU CA C 102 59.192 59.192 58.003 1.189 18869 1759 1 5 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.838 -0.018 18869 1760 1 5 . 1 1 102 102 LEU H H 102 8.781 8.781 8.047 0.734 18869 1761 1 5 . 1 1 103 103 LYS N N 103 118.426 118.426 118.035 0.391 18869 1762 1 5 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.959 -0.111 18869 1763 1 5 . 1 1 103 103 LYS C C 103 179.666 179.666 179.177 0.489 18869 1764 1 5 . 1 1 103 103 LYS CA C 103 60.600 60.600 58.968 1.632 18869 1765 1 5 . 1 1 103 103 LYS CB C 103 32.731 32.731 31.766 0.965 18869 1766 1 5 . 1 1 103 103 LYS H H 103 8.573 8.573 8.336 0.237 18869 1767 1 5 . 1 1 104 104 ARG N N 104 117.936 117.936 120.129 -2.193 18869 1768 1 5 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.071 -0.021 18869 1769 1 5 . 1 1 104 104 ARG C C 104 179.190 179.190 178.479 0.711 18869 1770 1 5 . 1 1 104 104 ARG CA C 104 59.536 59.536 58.987 0.549 18869 1771 1 5 . 1 1 104 104 ARG CB C 104 30.050 30.050 29.992 0.057 18869 1772 1 5 . 1 1 104 104 ARG H H 104 8.154 8.154 7.895 0.259 18869 1773 1 5 . 1 1 105 105 GLY N N 105 110.339 110.339 107.441 2.898 18869 1774 1 5 . 1 1 105 105 GLY C C 105 174.974 174.974 176.088 -1.114 18869 1775 1 5 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.270 0.436 18869 1776 1 5 . 1 1 105 105 GLY H H 105 8.265 8.265 8.223 0.042 18869 1777 1 5 . 1 1 106 106 ILE N N 106 122.669 122.669 122.547 0.122 18869 1778 1 5 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.905 -0.184 18869 1779 1 5 . 1 1 106 106 ILE C C 106 177.749 177.749 178.052 -0.303 18869 1780 1 5 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.500 -0.389 18869 1781 1 5 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.032 -1.746 18869 1782 1 5 . 1 1 106 106 ILE H H 106 8.028 8.028 7.511 0.517 18869 1783 1 5 . 1 1 107 107 ILE N N 107 119.626 119.626 120.494 -0.868 18869 1784 1 5 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.611 0.041 18869 1785 1 5 . 1 1 107 107 ILE C C 107 179.292 179.292 177.986 1.306 18869 1786 1 5 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.140 0.167 18869 1787 1 5 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.482 0.927 18869 1788 1 5 . 1 1 107 107 ILE H H 107 7.481 7.481 7.561 -0.080 18869 1789 1 5 . 1 1 108 108 HIS N N 108 120.644 120.644 119.276 1.368 18869 1790 1 5 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.248 0.454 18869 1791 1 5 . 1 1 108 108 HIS C C 108 177.121 177.121 177.111 0.010 18869 1792 1 5 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.277 -1.713 18869 1793 1 5 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.625 -0.181 18869 1794 1 5 . 1 1 108 108 HIS H H 108 8.396 8.396 8.098 0.298 18869 1795 1 5 . 1 1 109 109 ALA N N 109 121.460 121.460 121.365 0.095 18869 1796 1 5 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.927 -0.019 18869 1797 1 5 . 1 1 109 109 ALA C C 109 178.810 178.810 179.263 -0.453 18869 1798 1 5 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.422 0.153 18869 1799 1 5 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.393 -0.794 18869 1800 1 5 . 1 1 109 109 ALA H H 109 9.416 9.416 8.351 1.065 18869 1801 1 5 . 1 1 110 110 ARG N N 110 116.845 116.845 118.974 -2.129 18869 1802 1 5 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.108 -0.375 18869 1803 1 5 . 1 1 110 110 ARG C C 110 177.800 177.800 178.055 -0.255 18869 1804 1 5 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.111 1.320 18869 1805 1 5 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.320 0.570 18869 1806 1 5 . 1 1 110 110 ARG H H 110 8.579 8.579 8.345 0.234 18869 1807 1 5 . 1 1 111 111 ALA N N 111 120.689 120.689 122.414 -1.725 18869 1808 1 5 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.152 0.008 18869 1809 1 5 . 1 1 111 111 ALA C C 111 181.315 181.315 180.119 1.196 18869 1810 1 5 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.841 0.572 18869 1811 1 5 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.074 -0.008 18869 1812 1 5 . 1 1 111 111 ALA H H 111 7.808 7.808 7.670 0.138 18869 1813 1 5 . 1 1 112 112 LEU N N 112 119.511 119.511 119.388 0.123 18869 1814 1 5 . 1 1 112 112 LEU C C 112 179.788 179.788 179.111 0.677 18869 1815 1 5 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.865 0.132 18869 1816 1 5 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.807 1.065 18869 1817 1 5 . 1 1 112 112 LEU H H 112 8.308 8.308 7.722 0.586 18869 1818 1 5 . 1 1 113 113 VAL N N 113 119.879 119.879 118.341 1.538 18869 1819 1 5 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.722 -0.168 18869 1820 1 5 . 1 1 113 113 VAL C C 113 178.238 178.238 178.269 -0.031 18869 1821 1 5 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.293 1.348 18869 1822 1 5 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.087 0.289 18869 1823 1 5 . 1 1 113 113 VAL H H 113 8.502 8.502 7.809 0.693 18869 1824 1 5 . 1 1 114 114 ARG N N 114 118.928 118.928 119.026 -0.098 18869 1825 1 5 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.059 -0.070 18869 1826 1 5 . 1 1 114 114 ARG C C 114 179.368 179.368 178.318 1.050 18869 1827 1 5 . 1 1 114 114 ARG CA C 114 60.207 60.207 58.903 1.304 18869 1828 1 5 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.243 -0.671 18869 1829 1 5 . 1 1 114 114 ARG H H 114 8.335 8.335 8.131 0.204 18869 1830 1 5 . 1 1 115 115 GLU N N 115 120.444 120.444 118.859 1.585 18869 1831 1 5 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.225 -0.017 18869 1832 1 5 . 1 1 115 115 GLU C C 115 178.931 178.931 178.696 0.235 18869 1833 1 5 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.654 0.629 18869 1834 1 5 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.680 -0.579 18869 1835 1 5 . 1 1 115 115 GLU H H 115 7.971 7.971 7.752 0.219 18869 1836 1 5 . 1 1 116 116 CYS N N 116 118.789 118.789 118.475 0.314 18869 1837 1 5 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.581 -0.474 18869 1838 1 5 . 1 1 116 116 CYS C C 116 177.264 177.264 176.778 0.486 18869 1839 1 5 . 1 1 116 116 CYS CA C 116 62.959 62.959 61.536 1.423 18869 1840 1 5 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.883 -0.276 18869 1841 1 5 . 1 1 116 116 CYS H H 116 7.989 7.989 8.066 -0.077 18869 1842 1 5 . 1 1 117 117 LEU N N 117 120.670 120.670 120.746 -0.076 18869 1843 1 5 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.846 0.102 18869 1844 1 5 . 1 1 117 117 LEU C C 117 178.291 178.291 178.489 -0.198 18869 1845 1 5 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.937 -0.668 18869 1846 1 5 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.288 0.945 18869 1847 1 5 . 1 1 117 117 LEU H H 117 8.028 8.028 8.304 -0.276 18869 1848 1 5 . 1 1 118 118 ALA N N 118 122.520 122.520 121.589 0.931 18869 1849 1 5 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.330 -0.126 18869 1850 1 5 . 1 1 118 118 ALA C C 118 179.805 179.805 179.541 0.264 18869 1851 1 5 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.688 -0.279 18869 1852 1 5 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.518 -0.148 18869 1853 1 5 . 1 1 118 118 ALA H H 118 8.000 8.000 7.466 0.534 18869 1854 1 5 . 1 1 119 119 GLU N N 119 118.901 118.901 117.165 1.736 18869 1855 1 5 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.038 0.146 18869 1856 1 5 . 1 1 119 119 GLU C C 119 178.082 178.082 178.934 -0.852 18869 1857 1 5 . 1 1 119 119 GLU CA C 119 58.452 58.452 59.127 -0.675 18869 1858 1 5 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.103 0.563 18869 1859 1 5 . 1 1 119 119 GLU H H 119 8.094 8.094 8.185 -0.091 18869 1860 1 5 . 1 1 120 120 THR N N 120 113.828 113.828 115.260 -1.432 18869 1861 1 5 . 1 1 120 120 THR HA H 120 4.251 4.251 4.310 -0.059 18869 1862 1 5 . 1 1 120 120 THR C C 120 176.051 176.051 174.937 1.114 18869 1863 1 5 . 1 1 120 120 THR CA C 120 64.664 64.664 65.860 -1.196 18869 1864 1 5 . 1 1 120 120 THR CB C 120 69.543 69.543 69.084 0.459 18869 1865 1 5 . 1 1 120 120 THR H H 120 7.976 7.976 7.884 0.092 18869 1866 1 5 . 1 1 121 121 GLU N N 121 121.927 121.927 119.691 2.236 18869 1867 1 5 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.176 0.068 18869 1868 1 5 . 1 1 121 121 GLU C C 121 177.730 177.730 178.491 -0.761 18869 1869 1 5 . 1 1 121 121 GLU CA C 121 57.924 57.924 57.937 -0.013 18869 1870 1 5 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.759 0.144 18869 1871 1 5 . 1 1 121 121 GLU H H 121 8.073 8.073 7.871 0.202 18869 1872 1 5 . 1 1 122 122 ARG N N 122 120.226 120.226 118.168 2.058 18869 1873 1 5 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.244 0.010 18869 1874 1 5 . 1 1 122 122 ARG C C 122 177.289 177.289 177.017 0.272 18869 1875 1 5 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.701 0.010 18869 1876 1 5 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.995 -0.173 18869 1877 1 5 . 1 1 122 122 ARG H H 122 8.081 8.081 7.887 0.194 18869 1878 1 5 . 1 1 123 123 ASN N N 123 118.062 118.062 119.373 -1.311 18869 1879 1 5 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.854 -0.112 18869 1880 1 5 . 1 1 123 123 ASN C C 123 175.035 175.035 173.060 1.975 18869 1881 1 5 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.667 1.053 18869 1882 1 5 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.449 -0.407 18869 1883 1 5 . 1 1 123 123 ASN H H 123 8.229 8.229 7.842 0.387 18869 1884 1 5 . 1 1 124 124 ALA N N 124 123.469 123.469 124.321 -0.852 18869 1885 1 5 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.582 -0.190 18869 1886 1 5 . 1 1 124 124 ALA C C 124 177.587 177.587 176.971 0.616 18869 1887 1 5 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.431 1.348 18869 1888 1 5 . 1 1 124 124 ALA CB C 124 19.365 19.365 21.033 -1.668 18869 1889 1 5 . 1 1 124 124 ALA H H 124 7.989 7.989 8.383 -0.394 18869 1890 1 5 . 1 1 125 125 ARG N N 125 120.186 120.186 126.558 -6.372 18869 1891 1 5 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.436 0.050 18869 1892 1 5 . 1 1 125 125 ARG C C 125 175.804 175.804 176.246 -0.442 18869 1893 1 5 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.836 0.416 18869 1894 1 5 . 1 1 125 125 ARG CB C 125 30.858 30.858 28.807 2.051 18869 1895 1 5 . 1 1 125 125 ARG H H 125 8.200 8.200 8.607 -0.407 18869 1896 1 6 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.607 0.130 18869 1897 1 6 . 1 1 59 59 HIS C C 59 174.845 174.845 174.661 0.184 18869 1898 1 6 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.766 0.666 18869 1899 1 6 . 1 1 59 59 HIS CB C 59 30.554 30.554 29.157 1.397 18869 1900 1 6 . 1 1 60 60 MET N N 60 121.666 121.666 124.561 -2.895 18869 1901 1 6 . 1 1 60 60 MET HA H 60 4.462 4.462 4.479 -0.017 18869 1902 1 6 . 1 1 60 60 MET C C 60 175.495 175.495 175.565 -0.070 18869 1903 1 6 . 1 1 60 60 MET CA C 60 55.475 55.475 55.090 0.385 18869 1904 1 6 . 1 1 60 60 MET H H 60 8.324 8.324 8.165 0.159 18869 1905 1 6 . 1 1 61 61 ALA N N 61 125.934 125.934 130.329 -4.395 18869 1906 1 6 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.763 -0.416 18869 1907 1 6 . 1 1 61 61 ALA C C 61 177.394 177.394 176.216 1.178 18869 1908 1 6 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.730 0.842 18869 1909 1 6 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.375 0.101 18869 1910 1 6 . 1 1 61 61 ALA H H 61 8.438 8.438 8.378 0.060 18869 1911 1 6 . 1 1 62 62 MET N N 62 120.125 120.125 119.517 0.608 18869 1912 1 6 . 1 1 62 62 MET HA H 62 4.489 4.489 4.839 -0.350 18869 1913 1 6 . 1 1 62 62 MET C C 62 175.850 175.850 175.104 0.746 18869 1914 1 6 . 1 1 62 62 MET CA C 62 55.350 55.350 55.607 -0.257 18869 1915 1 6 . 1 1 62 62 MET H H 62 8.369 8.369 8.132 0.237 18869 1916 1 6 . 1 1 63 63 LYS N N 63 124.280 124.280 120.544 3.736 18869 1917 1 6 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.744 -0.099 18869 1918 1 6 . 1 1 63 63 LYS C C 63 173.722 173.722 173.879 -0.157 18869 1919 1 6 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.365 -1.123 18869 1920 1 6 . 1 1 63 63 LYS CB C 63 32.640 32.640 31.438 1.202 18869 1921 1 6 . 1 1 63 63 LYS H H 63 8.390 8.390 8.607 -0.217 18869 1922 1 6 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.752 -0.009 18869 1923 1 6 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.816 -0.260 18869 1924 1 6 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.644 -0.697 18869 1925 1 6 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.443 0.020 18869 1926 1 6 . 1 1 65 65 PRO C C 65 177.677 177.677 177.047 0.630 18869 1927 1 6 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.900 0.578 18869 1928 1 6 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.239 0.850 18869 1929 1 6 . 1 1 66 66 GLY N N 66 109.177 109.177 111.564 -2.387 18869 1930 1 6 . 1 1 66 66 GLY C C 66 173.968 173.968 174.742 -0.774 18869 1931 1 6 . 1 1 66 66 GLY CA C 66 45.248 45.248 45.527 -0.279 18869 1932 1 6 . 1 1 66 66 GLY H H 66 8.501 8.501 8.494 0.007 18869 1933 1 6 . 1 1 67 67 ALA N N 67 123.867 123.867 121.447 2.420 18869 1934 1 6 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.508 -0.120 18869 1935 1 6 . 1 1 67 67 ALA C C 67 177.984 177.984 177.647 0.337 18869 1936 1 6 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.562 -0.004 18869 1937 1 6 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.476 -0.083 18869 1938 1 6 . 1 1 67 67 ALA H H 67 8.224 8.224 7.776 0.448 18869 1939 1 6 . 1 1 68 68 GLN N N 68 119.754 119.754 121.291 -1.537 18869 1940 1 6 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.332 0.057 18869 1941 1 6 . 1 1 68 68 GLN C C 68 176.666 176.666 176.114 0.552 18869 1942 1 6 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.111 1.147 18869 1943 1 6 . 1 1 68 68 GLN CB C 68 29.511 29.511 27.525 1.986 18869 1944 1 6 . 1 1 68 68 GLN H H 68 8.540 8.540 8.305 0.235 18869 1945 1 6 . 1 1 69 69 GLY N N 69 110.258 110.258 111.967 -1.709 18869 1946 1 6 . 1 1 69 69 GLY C C 69 174.333 174.333 174.976 -0.643 18869 1947 1 6 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.567 0.949 18869 1948 1 6 . 1 1 69 69 GLY H H 69 8.516 8.516 8.275 0.241 18869 1949 1 6 . 1 1 70 70 SER N N 70 116.141 116.141 120.327 -4.186 18869 1950 1 6 . 1 1 70 70 SER HA H 70 4.504 4.504 4.190 0.314 18869 1951 1 6 . 1 1 70 70 SER C C 70 174.792 174.792 175.636 -0.844 18869 1952 1 6 . 1 1 70 70 SER CA C 70 58.792 58.792 61.284 -2.492 18869 1953 1 6 . 1 1 70 70 SER CB C 70 64.011 64.011 63.171 0.840 18869 1954 1 6 . 1 1 70 70 SER H H 70 8.387 8.387 7.946 0.441 18869 1955 1 6 . 1 1 71 71 GLN N N 71 122.245 122.245 118.992 3.253 18869 1956 1 6 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.442 -0.038 18869 1957 1 6 . 1 1 71 71 GLN C C 71 176.805 176.805 177.925 -1.120 18869 1958 1 6 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.619 0.614 18869 1959 1 6 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.445 0.666 18869 1960 1 6 . 1 1 71 71 GLN H H 71 8.639 8.639 8.397 0.242 18869 1961 1 6 . 1 1 72 72 SER N N 72 116.778 116.778 116.476 0.302 18869 1962 1 6 . 1 1 72 72 SER HA H 72 4.536 4.536 4.019 0.517 18869 1963 1 6 . 1 1 72 72 SER C C 72 175.305 175.305 176.081 -0.776 18869 1964 1 6 . 1 1 72 72 SER CA C 72 59.356 59.356 62.142 -2.786 18869 1965 1 6 . 1 1 72 72 SER CB C 72 63.977 63.977 62.960 1.017 18869 1966 1 6 . 1 1 72 72 SER H H 72 8.516 8.516 7.939 0.577 18869 1967 1 6 . 1 1 73 73 THR N N 73 119.063 119.063 116.231 2.832 18869 1968 1 6 . 1 1 73 73 THR HA H 73 4.045 4.045 4.068 -0.023 18869 1969 1 6 . 1 1 73 73 THR C C 73 176.016 176.016 176.974 -0.958 18869 1970 1 6 . 1 1 73 73 THR CA C 73 65.705 65.705 65.519 0.186 18869 1971 1 6 . 1 1 73 73 THR CB C 73 68.743 68.743 68.883 -0.140 18869 1972 1 6 . 1 1 73 73 THR H H 73 8.305 8.305 8.319 -0.014 18869 1973 1 6 . 1 1 74 74 TYR N N 74 118.707 118.707 121.455 -2.748 18869 1974 1 6 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.464 -0.190 18869 1975 1 6 . 1 1 74 74 TYR C C 74 177.613 177.613 177.122 0.491 18869 1976 1 6 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.655 1.449 18869 1977 1 6 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.491 -0.374 18869 1978 1 6 . 1 1 74 74 TYR H H 74 7.905 7.905 8.096 -0.191 18869 1979 1 6 . 1 1 75 75 THR N N 75 114.583 114.583 116.213 -1.630 18869 1980 1 6 . 1 1 75 75 THR HA H 75 3.992 3.992 3.822 0.170 18869 1981 1 6 . 1 1 75 75 THR C C 75 177.381 177.381 176.058 1.323 18869 1982 1 6 . 1 1 75 75 THR CA C 75 66.363 66.363 66.446 -0.083 18869 1983 1 6 . 1 1 75 75 THR CB C 75 68.324 68.324 68.324 -0.000 18869 1984 1 6 . 1 1 75 75 THR H H 75 8.027 8.027 8.221 -0.194 18869 1985 1 6 . 1 1 76 76 ASP N N 76 124.495 124.495 122.108 2.387 18869 1986 1 6 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.329 0.168 18869 1987 1 6 . 1 1 76 76 ASP C C 76 178.510 178.510 177.754 0.756 18869 1988 1 6 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.268 0.019 18869 1989 1 6 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.837 -0.609 18869 1990 1 6 . 1 1 76 76 ASP H H 76 8.293 8.293 7.653 0.640 18869 1991 1 6 . 1 1 77 77 LEU N N 77 121.803 121.803 120.674 1.129 18869 1992 1 6 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.840 0.163 18869 1993 1 6 . 1 1 77 77 LEU C C 77 177.976 177.976 177.548 0.428 18869 1994 1 6 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.703 0.321 18869 1995 1 6 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.341 0.581 18869 1996 1 6 . 1 1 77 77 LEU H H 77 8.301 8.301 7.247 1.054 18869 1997 1 6 . 1 1 78 78 LEU N N 78 119.070 119.070 118.634 0.436 18869 1998 1 6 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.821 0.216 18869 1999 1 6 . 1 1 78 78 LEU C C 78 179.095 179.095 178.188 0.907 18869 2000 1 6 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.922 0.724 18869 2001 1 6 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.509 -0.192 18869 2002 1 6 . 1 1 78 78 LEU H H 78 8.380 8.380 7.377 1.003 18869 2003 1 6 . 1 1 79 79 SER N N 79 114.297 114.297 115.138 -0.841 18869 2004 1 6 . 1 1 79 79 SER HA H 79 4.337 4.337 4.096 0.241 18869 2005 1 6 . 1 1 79 79 SER C C 79 176.729 176.729 176.419 0.310 18869 2006 1 6 . 1 1 79 79 SER CA C 79 62.031 62.031 62.367 -0.336 18869 2007 1 6 . 1 1 79 79 SER CB C 79 62.761 62.761 62.965 -0.204 18869 2008 1 6 . 1 1 79 79 SER H H 79 7.976 7.976 7.695 0.281 18869 2009 1 6 . 1 1 80 80 VAL N N 80 122.776 122.776 121.689 1.087 18869 2010 1 6 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.641 0.220 18869 2011 1 6 . 1 1 80 80 VAL C C 80 178.463 178.463 177.632 0.831 18869 2012 1 6 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.082 0.113 18869 2013 1 6 . 1 1 80 80 VAL CB C 80 31.912 31.912 30.574 1.338 18869 2014 1 6 . 1 1 80 80 VAL H H 80 8.126 8.126 7.975 0.151 18869 2015 1 6 . 1 1 81 81 ILE N N 81 121.312 121.312 119.060 2.252 18869 2016 1 6 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.705 0.090 18869 2017 1 6 . 1 1 81 81 ILE C C 81 177.475 177.475 178.274 -0.799 18869 2018 1 6 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.490 0.635 18869 2019 1 6 . 1 1 81 81 ILE CB C 81 37.730 37.730 35.963 1.767 18869 2020 1 6 . 1 1 81 81 ILE H H 81 8.236 8.236 7.908 0.328 18869 2021 1 6 . 1 1 82 82 GLU N N 82 119.637 119.637 119.869 -0.232 18869 2022 1 6 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.014 0.145 18869 2023 1 6 . 1 1 82 82 GLU C C 82 180.592 180.592 179.180 1.412 18869 2024 1 6 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.520 -0.342 18869 2025 1 6 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.071 0.196 18869 2026 1 6 . 1 1 82 82 GLU H H 82 8.326 8.326 7.830 0.496 18869 2027 1 6 . 1 1 83 83 GLU N N 83 119.955 119.955 119.054 0.901 18869 2028 1 6 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.071 -0.012 18869 2029 1 6 . 1 1 83 83 GLU C C 83 179.428 179.428 179.268 0.160 18869 2030 1 6 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.685 0.904 18869 2031 1 6 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.219 0.052 18869 2032 1 6 . 1 1 83 83 GLU H H 83 8.383 8.383 8.351 0.032 18869 2033 1 6 . 1 1 84 84 MET N N 84 118.367 118.367 118.883 -0.516 18869 2034 1 6 . 1 1 84 84 MET HA H 84 4.066 4.066 4.070 -0.004 18869 2035 1 6 . 1 1 84 84 MET C C 84 179.303 179.303 178.578 0.725 18869 2036 1 6 . 1 1 84 84 MET CA C 84 60.047 60.047 59.545 0.502 18869 2037 1 6 . 1 1 84 84 MET CB C 84 34.431 34.431 32.592 1.839 18869 2038 1 6 . 1 1 84 84 MET H H 84 8.335 8.335 8.272 0.063 18869 2039 1 6 . 1 1 85 85 GLY N N 85 104.067 104.067 104.554 -0.487 18869 2040 1 6 . 1 1 85 85 GLY C C 85 176.612 176.612 174.874 1.738 18869 2041 1 6 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.681 0.862 18869 2042 1 6 . 1 1 85 85 GLY H H 85 8.219 8.219 7.960 0.259 18869 2043 1 6 . 1 1 86 86 LYS N N 86 119.651 119.651 119.105 0.546 18869 2044 1 6 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.212 0.061 18869 2045 1 6 . 1 1 86 86 LYS C C 86 177.390 177.390 178.696 -1.306 18869 2046 1 6 . 1 1 86 86 LYS CA C 86 58.481 58.481 59.027 -0.546 18869 2047 1 6 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.638 -0.044 18869 2048 1 6 . 1 1 86 86 LYS H H 86 7.585 7.585 7.186 0.399 18869 2049 1 6 . 1 1 87 87 GLU N N 87 114.250 114.250 119.699 -5.449 18869 2050 1 6 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.185 1.000 18869 2051 1 6 . 1 1 87 87 GLU C C 87 179.381 179.381 178.868 0.513 18869 2052 1 6 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.969 -3.166 18869 2053 1 6 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.049 0.583 18869 2054 1 6 . 1 1 87 87 GLU H H 87 7.710 7.710 7.748 -0.038 18869 2055 1 6 . 1 1 88 88 ILE N N 88 122.587 122.587 120.065 2.522 18869 2056 1 6 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.722 -0.246 18869 2057 1 6 . 1 1 88 88 ILE C C 88 175.990 175.990 177.686 -1.696 18869 2058 1 6 . 1 1 88 88 ILE CA C 88 67.511 67.511 64.897 2.615 18869 2059 1 6 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.379 0.579 18869 2060 1 6 . 1 1 88 88 ILE H H 88 7.471 7.471 7.953 -0.482 18869 2061 1 6 . 1 1 89 89 ARG N N 89 118.954 118.954 119.612 -0.658 18869 2062 1 6 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.252 0.117 18869 2063 1 6 . 1 1 89 89 ARG C C 89 176.834 176.834 175.759 1.075 18869 2064 1 6 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.538 -0.149 18869 2065 1 6 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.916 -1.018 18869 2066 1 6 . 1 1 89 89 ARG H H 89 8.983 8.983 7.568 1.415 18869 2067 1 6 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.404 0.134 18869 2068 1 6 . 1 1 90 90 PRO C C 90 178.848 178.848 178.622 0.226 18869 2069 1 6 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.668 0.302 18869 2070 1 6 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.331 -1.069 18869 2071 1 6 . 1 1 91 91 THR N N 91 118.284 118.284 116.696 1.588 18869 2072 1 6 . 1 1 91 91 THR HA H 91 4.461 4.461 4.267 0.194 18869 2073 1 6 . 1 1 91 91 THR C C 91 176.982 176.982 177.079 -0.097 18869 2074 1 6 . 1 1 91 91 THR CA C 91 67.247 67.247 67.382 -0.135 18869 2075 1 6 . 1 1 91 91 THR CB C 91 69.454 69.454 68.599 0.855 18869 2076 1 6 . 1 1 91 91 THR H H 91 7.734 7.734 8.015 -0.281 18869 2077 1 6 . 1 1 92 92 TYR N N 92 123.739 123.739 122.924 0.815 18869 2078 1 6 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.264 0.580 18869 2079 1 6 . 1 1 92 92 TYR C C 92 177.320 177.320 176.159 1.161 18869 2080 1 6 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.335 -1.527 18869 2081 1 6 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.454 0.747 18869 2082 1 6 . 1 1 92 92 TYR H H 92 8.420 8.420 8.117 0.303 18869 2083 1 6 . 1 1 93 93 ALA N N 93 120.159 120.159 117.977 2.182 18869 2084 1 6 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.428 -0.257 18869 2085 1 6 . 1 1 93 93 ALA C C 93 177.685 177.685 177.558 0.127 18869 2086 1 6 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.744 0.235 18869 2087 1 6 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.009 -0.499 18869 2088 1 6 . 1 1 93 93 ALA H H 93 7.929 7.929 7.535 0.394 18869 2089 1 6 . 1 1 94 94 GLY N N 94 108.770 108.770 106.965 1.805 18869 2090 1 6 . 1 1 94 94 GLY C C 94 174.896 174.896 175.005 -0.109 18869 2091 1 6 . 1 1 94 94 GLY CA C 94 45.882 45.882 44.979 0.903 18869 2092 1 6 . 1 1 94 94 GLY H H 94 8.311 8.311 7.735 0.576 18869 2093 1 6 . 1 1 95 95 SER N N 95 115.316 115.316 119.315 -3.999 18869 2094 1 6 . 1 1 95 95 SER HA H 95 4.774 4.774 4.539 0.235 18869 2095 1 6 . 1 1 95 95 SER C C 95 175.089 175.089 174.919 0.170 18869 2096 1 6 . 1 1 95 95 SER CA C 95 57.083 57.083 57.848 -0.765 18869 2097 1 6 . 1 1 95 95 SER CB C 95 62.543 62.543 62.187 0.356 18869 2098 1 6 . 1 1 95 95 SER H H 95 8.363 8.363 8.217 0.146 18869 2099 1 6 . 1 1 96 96 LYS N N 96 134.180 134.180 125.455 8.725 18869 2100 1 6 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.066 -0.081 18869 2101 1 6 . 1 1 96 96 LYS C C 96 178.195 178.195 177.925 0.270 18869 2102 1 6 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.273 0.624 18869 2103 1 6 . 1 1 96 96 LYS CB C 96 32.947 32.947 32.127 0.820 18869 2104 1 6 . 1 1 96 96 LYS H H 96 9.099 9.099 7.878 1.221 18869 2105 1 6 . 1 1 97 97 SER N N 97 113.650 113.650 117.424 -3.774 18869 2106 1 6 . 1 1 97 97 SER HA H 97 4.230 4.230 4.259 -0.029 18869 2107 1 6 . 1 1 97 97 SER C C 97 177.304 177.304 175.760 1.544 18869 2108 1 6 . 1 1 97 97 SER CA C 97 61.152 61.152 61.034 0.118 18869 2109 1 6 . 1 1 97 97 SER CB C 97 62.101 62.101 62.492 -0.391 18869 2110 1 6 . 1 1 97 97 SER H H 97 8.383 8.383 8.349 0.034 18869 2111 1 6 . 1 1 98 98 ALA N N 98 126.790 126.790 123.181 3.609 18869 2112 1 6 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.417 -0.390 18869 2113 1 6 . 1 1 98 98 ALA C C 98 178.317 178.317 179.574 -1.257 18869 2114 1 6 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.375 0.932 18869 2115 1 6 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.783 0.975 18869 2116 1 6 . 1 1 98 98 ALA H H 98 7.771 7.771 7.997 -0.226 18869 2117 1 6 . 1 1 99 99 MET N N 99 119.910 119.910 119.808 0.102 18869 2118 1 6 . 1 1 99 99 MET HA H 99 3.944 3.944 4.121 -0.177 18869 2119 1 6 . 1 1 99 99 MET C C 99 178.584 178.584 177.747 0.837 18869 2120 1 6 . 1 1 99 99 MET CA C 99 59.584 59.584 58.829 0.755 18869 2121 1 6 . 1 1 99 99 MET H H 99 7.856 7.856 7.949 -0.093 18869 2122 1 6 . 1 1 100 100 GLU N N 100 118.105 118.105 119.100 -0.995 18869 2123 1 6 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.961 0.022 18869 2124 1 6 . 1 1 100 100 GLU C C 100 180.292 180.292 178.720 1.572 18869 2125 1 6 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.831 -0.397 18869 2126 1 6 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.409 -0.161 18869 2127 1 6 . 1 1 100 100 GLU H H 100 8.255 8.255 8.015 0.240 18869 2128 1 6 . 1 1 101 101 ARG N N 101 120.780 120.780 118.701 2.079 18869 2129 1 6 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.167 -0.134 18869 2130 1 6 . 1 1 101 101 ARG C C 101 180.619 180.619 179.112 1.507 18869 2131 1 6 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.143 2.654 18869 2132 1 6 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.799 1.006 18869 2133 1 6 . 1 1 101 101 ARG H H 101 7.973 7.973 7.651 0.322 18869 2134 1 6 . 1 1 102 102 LEU N N 102 125.866 125.866 122.758 3.108 18869 2135 1 6 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.092 0.051 18869 2136 1 6 . 1 1 102 102 LEU C C 102 178.209 178.209 178.023 0.186 18869 2137 1 6 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.861 1.331 18869 2138 1 6 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.712 0.108 18869 2139 1 6 . 1 1 102 102 LEU H H 102 8.781 8.781 7.688 1.093 18869 2140 1 6 . 1 1 103 103 LYS N N 103 118.426 118.426 118.637 -0.211 18869 2141 1 6 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.876 -0.028 18869 2142 1 6 . 1 1 103 103 LYS C C 103 179.666 179.666 179.049 0.617 18869 2143 1 6 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.242 0.358 18869 2144 1 6 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.135 0.596 18869 2145 1 6 . 1 1 103 103 LYS H H 103 8.573 8.573 8.245 0.328 18869 2146 1 6 . 1 1 104 104 ARG N N 104 117.936 117.936 119.795 -1.859 18869 2147 1 6 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.039 0.011 18869 2148 1 6 . 1 1 104 104 ARG C C 104 179.190 179.190 178.477 0.713 18869 2149 1 6 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.063 0.473 18869 2150 1 6 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.008 0.042 18869 2151 1 6 . 1 1 104 104 ARG H H 104 8.154 8.154 8.064 0.090 18869 2152 1 6 . 1 1 105 105 GLY N N 105 110.339 110.339 107.303 3.036 18869 2153 1 6 . 1 1 105 105 GLY C C 105 174.974 174.974 176.182 -1.208 18869 2154 1 6 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.205 0.501 18869 2155 1 6 . 1 1 105 105 GLY H H 105 8.265 8.265 8.045 0.220 18869 2156 1 6 . 1 1 106 106 ILE N N 106 122.669 122.669 122.943 -0.274 18869 2157 1 6 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.854 -0.133 18869 2158 1 6 . 1 1 106 106 ILE C C 106 177.749 177.749 178.226 -0.477 18869 2159 1 6 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.503 -0.392 18869 2160 1 6 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.006 -1.720 18869 2161 1 6 . 1 1 106 106 ILE H H 106 8.028 8.028 7.505 0.523 18869 2162 1 6 . 1 1 107 107 ILE N N 107 119.626 119.626 119.943 -0.317 18869 2163 1 6 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.624 0.028 18869 2164 1 6 . 1 1 107 107 ILE C C 107 179.292 179.292 177.929 1.363 18869 2165 1 6 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.213 0.093 18869 2166 1 6 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.514 0.895 18869 2167 1 6 . 1 1 107 107 ILE H H 107 7.481 7.481 7.564 -0.083 18869 2168 1 6 . 1 1 108 108 HIS N N 108 120.644 120.644 119.346 1.298 18869 2169 1 6 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.122 0.580 18869 2170 1 6 . 1 1 108 108 HIS C C 108 177.121 177.121 177.317 -0.196 18869 2171 1 6 . 1 1 108 108 HIS CA C 108 57.564 57.564 58.987 -1.423 18869 2172 1 6 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.826 -0.382 18869 2173 1 6 . 1 1 108 108 HIS H H 108 8.396 8.396 8.463 -0.067 18869 2174 1 6 . 1 1 109 109 ALA N N 109 121.460 121.460 122.028 -0.568 18869 2175 1 6 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.808 0.100 18869 2176 1 6 . 1 1 109 109 ALA C C 109 178.810 178.810 179.004 -0.194 18869 2177 1 6 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.294 0.282 18869 2178 1 6 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.205 -0.606 18869 2179 1 6 . 1 1 109 109 ALA H H 109 9.416 9.416 8.368 1.048 18869 2180 1 6 . 1 1 110 110 ARG N N 110 116.845 116.845 119.550 -2.705 18869 2181 1 6 . 1 1 110 110 ARG HA H 110 3.733 3.733 3.985 -0.252 18869 2182 1 6 . 1 1 110 110 ARG C C 110 177.800 177.800 178.172 -0.372 18869 2183 1 6 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.432 0.999 18869 2184 1 6 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.177 0.713 18869 2185 1 6 . 1 1 110 110 ARG H H 110 8.579 8.579 8.347 0.232 18869 2186 1 6 . 1 1 111 111 ALA N N 111 120.689 120.689 122.044 -1.355 18869 2187 1 6 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.146 0.014 18869 2188 1 6 . 1 1 111 111 ALA C C 111 181.315 181.315 179.907 1.408 18869 2189 1 6 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.974 0.439 18869 2190 1 6 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.215 -0.149 18869 2191 1 6 . 1 1 111 111 ALA H H 111 7.808 7.808 7.564 0.244 18869 2192 1 6 . 1 1 112 112 LEU N N 112 119.511 119.511 119.176 0.335 18869 2193 1 6 . 1 1 112 112 LEU C C 112 179.788 179.788 179.650 0.138 18869 2194 1 6 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.659 0.338 18869 2195 1 6 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.708 1.165 18869 2196 1 6 . 1 1 112 112 LEU H H 112 8.308 8.308 7.933 0.375 18869 2197 1 6 . 1 1 113 113 VAL N N 113 119.879 119.879 119.078 0.801 18869 2198 1 6 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.734 -0.180 18869 2199 1 6 . 1 1 113 113 VAL C C 113 178.238 178.238 177.828 0.410 18869 2200 1 6 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.731 0.910 18869 2201 1 6 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.361 0.015 18869 2202 1 6 . 1 1 113 113 VAL H H 113 8.502 8.502 8.041 0.461 18869 2203 1 6 . 1 1 114 114 ARG N N 114 118.928 118.928 119.873 -0.945 18869 2204 1 6 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.003 -0.014 18869 2205 1 6 . 1 1 114 114 ARG C C 114 179.368 179.368 178.557 0.811 18869 2206 1 6 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.300 0.908 18869 2207 1 6 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.870 -1.298 18869 2208 1 6 . 1 1 114 114 ARG H H 114 8.335 8.335 8.172 0.163 18869 2209 1 6 . 1 1 115 115 GLU N N 115 120.444 120.444 117.863 2.581 18869 2210 1 6 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.177 0.031 18869 2211 1 6 . 1 1 115 115 GLU C C 115 178.931 178.931 179.025 -0.094 18869 2212 1 6 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.992 0.291 18869 2213 1 6 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.797 -0.696 18869 2214 1 6 . 1 1 115 115 GLU H H 115 7.971 7.971 8.241 -0.270 18869 2215 1 6 . 1 1 116 116 CYS N N 116 118.789 118.789 120.119 -1.330 18869 2216 1 6 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.241 -0.134 18869 2217 1 6 . 1 1 116 116 CYS C C 116 177.264 177.264 176.490 0.774 18869 2218 1 6 . 1 1 116 116 CYS CA C 116 62.959 62.959 61.053 1.906 18869 2219 1 6 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.305 0.302 18869 2220 1 6 . 1 1 116 116 CYS H H 116 7.989 7.989 7.891 0.098 18869 2221 1 6 . 1 1 117 117 LEU N N 117 120.670 120.670 120.592 0.078 18869 2222 1 6 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.804 0.144 18869 2223 1 6 . 1 1 117 117 LEU C C 117 178.291 178.291 178.575 -0.284 18869 2224 1 6 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.656 -0.387 18869 2225 1 6 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.443 0.790 18869 2226 1 6 . 1 1 117 117 LEU H H 117 8.028 8.028 8.186 -0.158 18869 2227 1 6 . 1 1 118 118 ALA N N 118 122.520 122.520 121.071 1.449 18869 2228 1 6 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.954 0.250 18869 2229 1 6 . 1 1 118 118 ALA C C 118 179.805 179.805 179.236 0.569 18869 2230 1 6 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.257 -0.848 18869 2231 1 6 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.055 0.315 18869 2232 1 6 . 1 1 118 118 ALA H H 118 8.000 8.000 7.707 0.293 18869 2233 1 6 . 1 1 119 119 GLU N N 119 118.901 118.901 118.042 0.859 18869 2234 1 6 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.013 0.171 18869 2235 1 6 . 1 1 119 119 GLU C C 119 178.082 178.082 178.890 -0.808 18869 2236 1 6 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.816 -0.364 18869 2237 1 6 . 1 1 119 119 GLU CB C 119 29.666 29.666 28.972 0.694 18869 2238 1 6 . 1 1 119 119 GLU H H 119 8.094 8.094 8.622 -0.528 18869 2239 1 6 . 1 1 120 120 THR N N 120 113.828 113.828 115.678 -1.850 18869 2240 1 6 . 1 1 120 120 THR HA H 120 4.251 4.251 3.988 0.263 18869 2241 1 6 . 1 1 120 120 THR C C 120 176.051 176.051 175.265 0.786 18869 2242 1 6 . 1 1 120 120 THR CA C 120 64.664 64.664 66.276 -1.612 18869 2243 1 6 . 1 1 120 120 THR CB C 120 69.543 69.543 68.780 0.763 18869 2244 1 6 . 1 1 120 120 THR H H 120 7.976 7.976 8.028 -0.052 18869 2245 1 6 . 1 1 121 121 GLU N N 121 121.927 121.927 119.420 2.507 18869 2246 1 6 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.083 0.161 18869 2247 1 6 . 1 1 121 121 GLU C C 121 177.730 177.730 177.593 0.137 18869 2248 1 6 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.403 -0.479 18869 2249 1 6 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.768 0.134 18869 2250 1 6 . 1 1 121 121 GLU H H 121 8.073 8.073 7.859 0.214 18869 2251 1 6 . 1 1 122 122 ARG N N 122 120.226 120.226 118.216 2.010 18869 2252 1 6 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.248 0.006 18869 2253 1 6 . 1 1 122 122 ARG C C 122 177.289 177.289 176.616 0.673 18869 2254 1 6 . 1 1 122 122 ARG CA C 122 57.711 57.711 56.205 1.506 18869 2255 1 6 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.756 0.066 18869 2256 1 6 . 1 1 122 122 ARG H H 122 8.081 8.081 7.490 0.591 18869 2257 1 6 . 1 1 123 123 ASN N N 123 118.062 118.062 119.281 -1.219 18869 2258 1 6 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.561 0.181 18869 2259 1 6 . 1 1 123 123 ASN C C 123 175.035 175.035 174.599 0.436 18869 2260 1 6 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.719 0.001 18869 2261 1 6 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.052 -0.010 18869 2262 1 6 . 1 1 123 123 ASN H H 123 8.229 8.229 7.590 0.639 18869 2263 1 6 . 1 1 124 124 ALA N N 124 123.469 123.469 124.769 -1.300 18869 2264 1 6 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.400 -0.008 18869 2265 1 6 . 1 1 124 124 ALA C C 124 177.587 177.587 176.232 1.355 18869 2266 1 6 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.487 1.292 18869 2267 1 6 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.610 -0.246 18869 2268 1 6 . 1 1 124 124 ALA H H 124 7.989 7.989 8.437 -0.448 18869 2269 1 6 . 1 1 125 125 ARG N N 125 120.186 120.186 121.449 -1.263 18869 2270 1 6 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.637 -0.151 18869 2271 1 6 . 1 1 125 125 ARG C C 125 175.804 175.804 174.856 0.948 18869 2272 1 6 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.615 0.637 18869 2273 1 6 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.250 0.608 18869 2274 1 6 . 1 1 125 125 ARG H H 125 8.200 8.200 8.066 0.134 18869 2275 1 7 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.689 0.048 18869 2276 1 7 . 1 1 59 59 HIS C C 59 174.845 174.845 173.866 0.979 18869 2277 1 7 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.762 -0.330 18869 2278 1 7 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.594 -0.040 18869 2279 1 7 . 1 1 60 60 MET N N 60 121.666 121.666 127.216 -5.550 18869 2280 1 7 . 1 1 60 60 MET HA H 60 4.462 4.462 4.573 -0.111 18869 2281 1 7 . 1 1 60 60 MET C C 60 175.495 175.495 174.744 0.751 18869 2282 1 7 . 1 1 60 60 MET CA C 60 55.475 55.475 54.339 1.136 18869 2283 1 7 . 1 1 60 60 MET H H 60 8.324 8.324 8.267 0.057 18869 2284 1 7 . 1 1 61 61 ALA N N 61 125.934 125.934 125.761 0.173 18869 2285 1 7 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.555 -0.208 18869 2286 1 7 . 1 1 61 61 ALA C C 61 177.394 177.394 176.079 1.315 18869 2287 1 7 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.246 0.326 18869 2288 1 7 . 1 1 61 61 ALA CB C 61 19.475 19.475 20.220 -0.744 18869 2289 1 7 . 1 1 61 61 ALA H H 61 8.438 8.438 8.148 0.290 18869 2290 1 7 . 1 1 62 62 MET N N 62 120.125 120.125 121.343 -1.218 18869 2291 1 7 . 1 1 62 62 MET HA H 62 4.489 4.489 4.788 -0.299 18869 2292 1 7 . 1 1 62 62 MET C C 62 175.850 175.850 175.623 0.227 18869 2293 1 7 . 1 1 62 62 MET CA C 62 55.350 55.350 54.820 0.530 18869 2294 1 7 . 1 1 62 62 MET H H 62 8.369 8.369 8.096 0.273 18869 2295 1 7 . 1 1 63 63 LYS N N 63 124.280 124.280 120.609 3.671 18869 2296 1 7 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.297 0.348 18869 2297 1 7 . 1 1 63 63 LYS C C 63 173.722 173.722 174.160 -0.438 18869 2298 1 7 . 1 1 63 63 LYS CA C 63 54.242 54.242 56.170 -1.928 18869 2299 1 7 . 1 1 63 63 LYS CB C 63 32.640 32.640 30.553 2.087 18869 2300 1 7 . 1 1 63 63 LYS H H 63 8.390 8.390 8.272 0.118 18869 2301 1 7 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.699 0.044 18869 2302 1 7 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.861 -0.305 18869 2303 1 7 . 1 1 64 64 PRO CB C 64 30.947 30.947 32.066 -1.119 18869 2304 1 7 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.435 0.028 18869 2305 1 7 . 1 1 65 65 PRO C C 65 177.677 177.677 176.955 0.722 18869 2306 1 7 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.079 0.399 18869 2307 1 7 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.307 -0.218 18869 2308 1 7 . 1 1 66 66 GLY N N 66 109.177 109.177 107.721 1.456 18869 2309 1 7 . 1 1 66 66 GLY C C 66 173.968 173.968 172.954 1.014 18869 2310 1 7 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.038 1.210 18869 2311 1 7 . 1 1 66 66 GLY H H 66 8.501 8.501 7.579 0.922 18869 2312 1 7 . 1 1 67 67 ALA N N 67 123.867 123.867 123.328 0.539 18869 2313 1 7 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.660 -0.272 18869 2314 1 7 . 1 1 67 67 ALA C C 67 177.984 177.984 177.241 0.743 18869 2315 1 7 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.372 0.186 18869 2316 1 7 . 1 1 67 67 ALA CB C 67 19.392 19.392 20.129 -0.737 18869 2317 1 7 . 1 1 67 67 ALA H H 67 8.224 8.224 8.300 -0.076 18869 2318 1 7 . 1 1 68 68 GLN N N 68 119.754 119.754 120.208 -0.454 18869 2319 1 7 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.602 -0.213 18869 2320 1 7 . 1 1 68 68 GLN C C 68 176.666 176.666 176.879 -0.213 18869 2321 1 7 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.273 0.985 18869 2322 1 7 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.461 0.050 18869 2323 1 7 . 1 1 68 68 GLN H H 68 8.540 8.540 8.410 0.130 18869 2324 1 7 . 1 1 69 69 GLY N N 69 110.258 110.258 107.735 2.523 18869 2325 1 7 . 1 1 69 69 GLY C C 69 174.333 174.333 176.273 -1.940 18869 2326 1 7 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.610 -0.094 18869 2327 1 7 . 1 1 69 69 GLY H H 69 8.516 8.516 8.210 0.306 18869 2328 1 7 . 1 1 70 70 SER N N 70 116.141 116.141 115.580 0.561 18869 2329 1 7 . 1 1 70 70 SER HA H 70 4.504 4.504 4.404 0.100 18869 2330 1 7 . 1 1 70 70 SER C C 70 174.792 174.792 176.843 -2.051 18869 2331 1 7 . 1 1 70 70 SER CA C 70 58.792 58.792 60.045 -1.253 18869 2332 1 7 . 1 1 70 70 SER CB C 70 64.011 64.011 62.904 1.107 18869 2333 1 7 . 1 1 70 70 SER H H 70 8.387 8.387 8.293 0.094 18869 2334 1 7 . 1 1 71 71 GLN N N 71 122.245 122.245 120.922 1.323 18869 2335 1 7 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.062 0.342 18869 2336 1 7 . 1 1 71 71 GLN C C 71 176.805 176.805 177.520 -0.715 18869 2337 1 7 . 1 1 71 71 GLN CA C 71 57.233 57.233 58.188 -0.955 18869 2338 1 7 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.434 0.677 18869 2339 1 7 . 1 1 71 71 GLN H H 71 8.639 8.639 8.697 -0.058 18869 2340 1 7 . 1 1 72 72 SER N N 72 116.778 116.778 113.272 3.506 18869 2341 1 7 . 1 1 72 72 SER HA H 72 4.536 4.536 4.179 0.357 18869 2342 1 7 . 1 1 72 72 SER C C 72 175.305 175.305 175.761 -0.456 18869 2343 1 7 . 1 1 72 72 SER CA C 72 59.356 59.356 61.156 -1.800 18869 2344 1 7 . 1 1 72 72 SER CB C 72 63.977 63.977 62.998 0.979 18869 2345 1 7 . 1 1 72 72 SER H H 72 8.516 8.516 7.718 0.798 18869 2346 1 7 . 1 1 73 73 THR N N 73 119.063 119.063 115.072 3.991 18869 2347 1 7 . 1 1 73 73 THR HA H 73 4.045 4.045 4.249 -0.204 18869 2348 1 7 . 1 1 73 73 THR C C 73 176.016 176.016 176.725 -0.709 18869 2349 1 7 . 1 1 73 73 THR CA C 73 65.705 65.705 64.689 1.016 18869 2350 1 7 . 1 1 73 73 THR CB C 73 68.743 68.743 69.428 -0.685 18869 2351 1 7 . 1 1 73 73 THR H H 73 8.305 8.305 7.557 0.748 18869 2352 1 7 . 1 1 74 74 TYR N N 74 118.707 118.707 122.817 -4.110 18869 2353 1 7 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.447 -0.173 18869 2354 1 7 . 1 1 74 74 TYR C C 74 177.613 177.613 177.146 0.467 18869 2355 1 7 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.643 0.461 18869 2356 1 7 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.409 -0.292 18869 2357 1 7 . 1 1 74 74 TYR H H 74 7.905 7.905 7.981 -0.076 18869 2358 1 7 . 1 1 75 75 THR N N 75 114.583 114.583 116.220 -1.637 18869 2359 1 7 . 1 1 75 75 THR HA H 75 3.992 3.992 3.868 0.124 18869 2360 1 7 . 1 1 75 75 THR C C 75 177.381 177.381 175.836 1.545 18869 2361 1 7 . 1 1 75 75 THR CA C 75 66.363 66.363 67.201 -0.839 18869 2362 1 7 . 1 1 75 75 THR CB C 75 68.324 68.324 68.184 0.140 18869 2363 1 7 . 1 1 75 75 THR H H 75 8.027 8.027 8.325 -0.298 18869 2364 1 7 . 1 1 76 76 ASP N N 76 124.495 124.495 121.784 2.711 18869 2365 1 7 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.292 0.205 18869 2366 1 7 . 1 1 76 76 ASP C C 76 178.510 178.510 177.803 0.707 18869 2367 1 7 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.551 -0.264 18869 2368 1 7 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.895 -0.666 18869 2369 1 7 . 1 1 76 76 ASP H H 76 8.293 8.293 7.674 0.619 18869 2370 1 7 . 1 1 77 77 LEU N N 77 121.803 121.803 120.524 1.279 18869 2371 1 7 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.781 0.222 18869 2372 1 7 . 1 1 77 77 LEU C C 77 177.976 177.976 177.680 0.296 18869 2373 1 7 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.727 0.297 18869 2374 1 7 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.240 0.682 18869 2375 1 7 . 1 1 77 77 LEU H H 77 8.301 8.301 7.358 0.943 18869 2376 1 7 . 1 1 78 78 LEU N N 78 119.070 119.070 118.821 0.249 18869 2377 1 7 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.817 0.220 18869 2378 1 7 . 1 1 78 78 LEU C C 78 179.095 179.095 178.580 0.515 18869 2379 1 7 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.167 0.479 18869 2380 1 7 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.552 -0.235 18869 2381 1 7 . 1 1 78 78 LEU H H 78 8.380 8.380 7.398 0.982 18869 2382 1 7 . 1 1 79 79 SER N N 79 114.297 114.297 114.866 -0.569 18869 2383 1 7 . 1 1 79 79 SER HA H 79 4.337 4.337 4.142 0.195 18869 2384 1 7 . 1 1 79 79 SER C C 79 176.729 176.729 176.748 -0.019 18869 2385 1 7 . 1 1 79 79 SER CA C 79 62.031 62.031 62.258 -0.227 18869 2386 1 7 . 1 1 79 79 SER CB C 79 62.761 62.761 63.084 -0.323 18869 2387 1 7 . 1 1 79 79 SER H H 79 7.976 7.976 7.612 0.364 18869 2388 1 7 . 1 1 80 80 VAL N N 80 122.776 122.776 123.344 -0.568 18869 2389 1 7 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.866 -0.005 18869 2390 1 7 . 1 1 80 80 VAL C C 80 178.463 178.463 177.928 0.535 18869 2391 1 7 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.119 0.076 18869 2392 1 7 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.413 0.499 18869 2393 1 7 . 1 1 80 80 VAL H H 80 8.126 8.126 7.943 0.183 18869 2394 1 7 . 1 1 81 81 ILE N N 81 121.312 121.312 119.361 1.951 18869 2395 1 7 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.706 0.089 18869 2396 1 7 . 1 1 81 81 ILE C C 81 177.475 177.475 178.446 -0.971 18869 2397 1 7 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.620 1.505 18869 2398 1 7 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.284 1.446 18869 2399 1 7 . 1 1 81 81 ILE H H 81 8.236 8.236 7.819 0.417 18869 2400 1 7 . 1 1 82 82 GLU N N 82 119.637 119.637 119.188 0.449 18869 2401 1 7 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.025 0.134 18869 2402 1 7 . 1 1 82 82 GLU C C 82 180.592 180.592 179.322 1.270 18869 2403 1 7 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.087 0.091 18869 2404 1 7 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.218 0.049 18869 2405 1 7 . 1 1 82 82 GLU H H 82 8.326 8.326 7.680 0.646 18869 2406 1 7 . 1 1 83 83 GLU N N 83 119.955 119.955 120.248 -0.293 18869 2407 1 7 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.048 0.011 18869 2408 1 7 . 1 1 83 83 GLU C C 83 179.428 179.428 179.396 0.032 18869 2409 1 7 . 1 1 83 83 GLU CA C 83 59.590 59.590 59.094 0.496 18869 2410 1 7 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.635 -0.364 18869 2411 1 7 . 1 1 83 83 GLU H H 83 8.383 8.383 8.104 0.279 18869 2412 1 7 . 1 1 84 84 MET N N 84 118.367 118.367 118.763 -0.396 18869 2413 1 7 . 1 1 84 84 MET HA H 84 4.066 4.066 4.185 -0.119 18869 2414 1 7 . 1 1 84 84 MET C C 84 179.303 179.303 178.402 0.901 18869 2415 1 7 . 1 1 84 84 MET CA C 84 60.047 60.047 59.277 0.770 18869 2416 1 7 . 1 1 84 84 MET CB C 84 34.431 34.431 32.643 1.788 18869 2417 1 7 . 1 1 84 84 MET H H 84 8.335 8.335 8.265 0.070 18869 2418 1 7 . 1 1 85 85 GLY N N 85 104.067 104.067 104.678 -0.611 18869 2419 1 7 . 1 1 85 85 GLY C C 85 176.612 176.612 175.030 1.582 18869 2420 1 7 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.520 1.023 18869 2421 1 7 . 1 1 85 85 GLY H H 85 8.219 8.219 8.123 0.096 18869 2422 1 7 . 1 1 86 86 LYS N N 86 119.651 119.651 119.176 0.475 18869 2423 1 7 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.384 -0.111 18869 2424 1 7 . 1 1 86 86 LYS C C 86 177.390 177.390 178.453 -1.063 18869 2425 1 7 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.274 0.207 18869 2426 1 7 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.886 -0.292 18869 2427 1 7 . 1 1 86 86 LYS H H 86 7.585 7.585 7.554 0.031 18869 2428 1 7 . 1 1 87 87 GLU N N 87 114.250 114.250 120.346 -6.096 18869 2429 1 7 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.152 1.033 18869 2430 1 7 . 1 1 87 87 GLU C C 87 179.381 179.381 178.469 0.912 18869 2431 1 7 . 1 1 87 87 GLU CA C 87 54.803 54.803 58.315 -3.512 18869 2432 1 7 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.299 0.333 18869 2433 1 7 . 1 1 87 87 GLU H H 87 7.710 7.710 7.513 0.197 18869 2434 1 7 . 1 1 88 88 ILE N N 88 122.587 122.587 120.273 2.314 18869 2435 1 7 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.686 -0.210 18869 2436 1 7 . 1 1 88 88 ILE C C 88 175.990 175.990 177.488 -1.498 18869 2437 1 7 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.231 2.280 18869 2438 1 7 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.464 0.494 18869 2439 1 7 . 1 1 88 88 ILE H H 88 7.471 7.471 7.727 -0.256 18869 2440 1 7 . 1 1 89 89 ARG N N 89 118.954 118.954 120.493 -1.539 18869 2441 1 7 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.279 0.090 18869 2442 1 7 . 1 1 89 89 ARG C C 89 176.834 176.834 175.564 1.270 18869 2443 1 7 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.524 -0.135 18869 2444 1 7 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.431 -1.533 18869 2445 1 7 . 1 1 89 89 ARG H H 89 8.983 8.983 7.698 1.285 18869 2446 1 7 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.274 0.263 18869 2447 1 7 . 1 1 90 90 PRO C C 90 178.848 178.848 178.760 0.088 18869 2448 1 7 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.823 0.146 18869 2449 1 7 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.295 -1.033 18869 2450 1 7 . 1 1 91 91 THR N N 91 118.284 118.284 116.059 2.225 18869 2451 1 7 . 1 1 91 91 THR HA H 91 4.461 4.461 4.156 0.305 18869 2452 1 7 . 1 1 91 91 THR C C 91 176.982 176.982 177.229 -0.247 18869 2453 1 7 . 1 1 91 91 THR CA C 91 67.247 67.247 66.980 0.267 18869 2454 1 7 . 1 1 91 91 THR CB C 91 69.454 69.454 68.799 0.655 18869 2455 1 7 . 1 1 91 91 THR H H 91 7.734 7.734 7.909 -0.175 18869 2456 1 7 . 1 1 92 92 TYR N N 92 123.739 123.739 122.878 0.861 18869 2457 1 7 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.225 0.619 18869 2458 1 7 . 1 1 92 92 TYR C C 92 177.320 177.320 175.802 1.518 18869 2459 1 7 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.402 -1.594 18869 2460 1 7 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.323 0.878 18869 2461 1 7 . 1 1 92 92 TYR H H 92 8.420 8.420 8.202 0.218 18869 2462 1 7 . 1 1 93 93 ALA N N 93 120.159 120.159 117.927 2.232 18869 2463 1 7 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.251 -0.080 18869 2464 1 7 . 1 1 93 93 ALA C C 93 177.685 177.685 177.866 -0.181 18869 2465 1 7 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.020 -0.042 18869 2466 1 7 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.128 -0.617 18869 2467 1 7 . 1 1 93 93 ALA H H 93 7.929 7.929 7.518 0.411 18869 2468 1 7 . 1 1 94 94 GLY N N 94 108.770 108.770 106.674 2.096 18869 2469 1 7 . 1 1 94 94 GLY C C 94 174.896 174.896 174.928 -0.032 18869 2470 1 7 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.129 0.753 18869 2471 1 7 . 1 1 94 94 GLY H H 94 8.311 8.311 7.716 0.595 18869 2472 1 7 . 1 1 95 95 SER N N 95 115.316 115.316 119.033 -3.717 18869 2473 1 7 . 1 1 95 95 SER HA H 95 4.774 4.774 4.486 0.288 18869 2474 1 7 . 1 1 95 95 SER C C 95 175.089 175.089 175.044 0.045 18869 2475 1 7 . 1 1 95 95 SER CA C 95 57.083 57.083 57.874 -0.791 18869 2476 1 7 . 1 1 95 95 SER CB C 95 62.543 62.543 62.129 0.414 18869 2477 1 7 . 1 1 95 95 SER H H 95 8.363 8.363 8.011 0.352 18869 2478 1 7 . 1 1 96 96 LYS N N 96 134.180 134.180 126.890 7.290 18869 2479 1 7 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.933 0.051 18869 2480 1 7 . 1 1 96 96 LYS C C 96 178.195 178.195 178.085 0.110 18869 2481 1 7 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.867 0.030 18869 2482 1 7 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.985 0.962 18869 2483 1 7 . 1 1 96 96 LYS H H 96 9.099 9.099 7.944 1.155 18869 2484 1 7 . 1 1 97 97 SER N N 97 113.650 113.650 116.989 -3.339 18869 2485 1 7 . 1 1 97 97 SER HA H 97 4.230 4.230 4.153 0.077 18869 2486 1 7 . 1 1 97 97 SER C C 97 177.304 177.304 176.448 0.856 18869 2487 1 7 . 1 1 97 97 SER CA C 97 61.152 61.152 61.098 0.054 18869 2488 1 7 . 1 1 97 97 SER CB C 97 62.101 62.101 62.608 -0.506 18869 2489 1 7 . 1 1 97 97 SER H H 97 8.383 8.383 8.503 -0.120 18869 2490 1 7 . 1 1 98 98 ALA N N 98 126.790 126.790 124.354 2.436 18869 2491 1 7 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.153 -0.126 18869 2492 1 7 . 1 1 98 98 ALA C C 98 178.317 178.317 179.724 -1.407 18869 2493 1 7 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.782 0.525 18869 2494 1 7 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.408 1.350 18869 2495 1 7 . 1 1 98 98 ALA H H 98 7.771 7.771 8.284 -0.513 18869 2496 1 7 . 1 1 99 99 MET N N 99 119.910 119.910 119.875 0.035 18869 2497 1 7 . 1 1 99 99 MET HA H 99 3.944 3.944 4.311 -0.367 18869 2498 1 7 . 1 1 99 99 MET C C 99 178.584 178.584 178.212 0.372 18869 2499 1 7 . 1 1 99 99 MET CA C 99 59.584 59.584 57.825 1.759 18869 2500 1 7 . 1 1 99 99 MET H H 99 7.856 7.856 7.897 -0.041 18869 2501 1 7 . 1 1 100 100 GLU N N 100 118.105 118.105 120.399 -2.294 18869 2502 1 7 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.015 -0.032 18869 2503 1 7 . 1 1 100 100 GLU C C 100 180.292 180.292 178.914 1.378 18869 2504 1 7 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.789 -0.355 18869 2505 1 7 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.319 -0.071 18869 2506 1 7 . 1 1 100 100 GLU H H 100 8.255 8.255 8.262 -0.007 18869 2507 1 7 . 1 1 101 101 ARG N N 101 120.780 120.780 119.319 1.461 18869 2508 1 7 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.158 -0.125 18869 2509 1 7 . 1 1 101 101 ARG C C 101 180.619 180.619 178.812 1.807 18869 2510 1 7 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.145 2.652 18869 2511 1 7 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.922 0.883 18869 2512 1 7 . 1 1 101 101 ARG H H 101 7.973 7.973 7.803 0.170 18869 2513 1 7 . 1 1 102 102 LEU N N 102 125.866 125.866 120.828 5.038 18869 2514 1 7 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.092 0.051 18869 2515 1 7 . 1 1 102 102 LEU C C 102 178.209 178.209 178.303 -0.094 18869 2516 1 7 . 1 1 102 102 LEU CA C 102 59.192 59.192 58.032 1.160 18869 2517 1 7 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.646 0.174 18869 2518 1 7 . 1 1 102 102 LEU H H 102 8.781 8.781 8.007 0.774 18869 2519 1 7 . 1 1 103 103 LYS N N 103 118.426 118.426 118.530 -0.104 18869 2520 1 7 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.865 -0.017 18869 2521 1 7 . 1 1 103 103 LYS C C 103 179.666 179.666 179.010 0.656 18869 2522 1 7 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.353 0.247 18869 2523 1 7 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.121 0.610 18869 2524 1 7 . 1 1 103 103 LYS H H 103 8.573 8.573 8.038 0.535 18869 2525 1 7 . 1 1 104 104 ARG N N 104 117.936 117.936 119.789 -1.853 18869 2526 1 7 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.111 -0.061 18869 2527 1 7 . 1 1 104 104 ARG C C 104 179.190 179.190 178.665 0.525 18869 2528 1 7 . 1 1 104 104 ARG CA C 104 59.536 59.536 58.754 0.782 18869 2529 1 7 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.130 -0.080 18869 2530 1 7 . 1 1 104 104 ARG H H 104 8.154 8.154 7.883 0.271 18869 2531 1 7 . 1 1 105 105 GLY N N 105 110.339 110.339 108.395 1.944 18869 2532 1 7 . 1 1 105 105 GLY C C 105 174.974 174.974 176.154 -1.180 18869 2533 1 7 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.204 0.502 18869 2534 1 7 . 1 1 105 105 GLY H H 105 8.265 8.265 8.366 -0.101 18869 2535 1 7 . 1 1 106 106 ILE N N 106 122.669 122.669 123.178 -0.509 18869 2536 1 7 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.871 -0.150 18869 2537 1 7 . 1 1 106 106 ILE C C 106 177.749 177.749 178.202 -0.453 18869 2538 1 7 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.801 -0.690 18869 2539 1 7 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.010 -1.724 18869 2540 1 7 . 1 1 106 106 ILE H H 106 8.028 8.028 7.546 0.482 18869 2541 1 7 . 1 1 107 107 ILE N N 107 119.626 119.626 119.462 0.164 18869 2542 1 7 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.634 0.018 18869 2543 1 7 . 1 1 107 107 ILE C C 107 179.292 179.292 178.050 1.242 18869 2544 1 7 . 1 1 107 107 ILE CA C 107 65.307 65.307 64.754 0.553 18869 2545 1 7 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.476 0.933 18869 2546 1 7 . 1 1 107 107 ILE H H 107 7.481 7.481 7.661 -0.180 18869 2547 1 7 . 1 1 108 108 HIS N N 108 120.644 120.644 119.664 0.980 18869 2548 1 7 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.241 0.461 18869 2549 1 7 . 1 1 108 108 HIS C C 108 177.121 177.121 177.129 -0.008 18869 2550 1 7 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.376 -1.812 18869 2551 1 7 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.703 -0.259 18869 2552 1 7 . 1 1 108 108 HIS H H 108 8.396 8.396 8.309 0.087 18869 2553 1 7 . 1 1 109 109 ALA N N 109 121.460 121.460 121.739 -0.279 18869 2554 1 7 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.728 0.180 18869 2555 1 7 . 1 1 109 109 ALA C C 109 178.810 178.810 179.339 -0.529 18869 2556 1 7 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.233 0.342 18869 2557 1 7 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.128 -0.529 18869 2558 1 7 . 1 1 109 109 ALA H H 109 9.416 9.416 8.314 1.102 18869 2559 1 7 . 1 1 110 110 ARG N N 110 116.845 116.845 118.949 -2.104 18869 2560 1 7 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.086 -0.353 18869 2561 1 7 . 1 1 110 110 ARG C C 110 177.800 177.800 178.372 -0.572 18869 2562 1 7 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.696 1.735 18869 2563 1 7 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.064 0.826 18869 2564 1 7 . 1 1 110 110 ARG H H 110 8.579 8.579 8.426 0.153 18869 2565 1 7 . 1 1 111 111 ALA N N 111 120.689 120.689 122.219 -1.530 18869 2566 1 7 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.189 -0.029 18869 2567 1 7 . 1 1 111 111 ALA C C 111 181.315 181.315 179.850 1.465 18869 2568 1 7 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.824 0.589 18869 2569 1 7 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.228 -0.162 18869 2570 1 7 . 1 1 111 111 ALA H H 111 7.808 7.808 7.488 0.320 18869 2571 1 7 . 1 1 112 112 LEU N N 112 119.511 119.511 118.789 0.722 18869 2572 1 7 . 1 1 112 112 LEU C C 112 179.788 179.788 178.845 0.943 18869 2573 1 7 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.498 0.499 18869 2574 1 7 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.654 1.219 18869 2575 1 7 . 1 1 112 112 LEU H H 112 8.308 8.308 7.875 0.433 18869 2576 1 7 . 1 1 113 113 VAL N N 113 119.879 119.879 117.579 2.300 18869 2577 1 7 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.724 -0.170 18869 2578 1 7 . 1 1 113 113 VAL C C 113 178.238 178.238 178.057 0.181 18869 2579 1 7 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.014 1.627 18869 2580 1 7 . 1 1 113 113 VAL CB C 113 31.376 31.376 30.932 0.444 18869 2581 1 7 . 1 1 113 113 VAL H H 113 8.502 8.502 7.944 0.558 18869 2582 1 7 . 1 1 114 114 ARG N N 114 118.928 118.928 120.464 -1.536 18869 2583 1 7 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.045 -0.056 18869 2584 1 7 . 1 1 114 114 ARG C C 114 179.368 179.368 178.134 1.234 18869 2585 1 7 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.458 0.749 18869 2586 1 7 . 1 1 114 114 ARG CB C 114 28.572 28.572 30.040 -1.468 18869 2587 1 7 . 1 1 114 114 ARG H H 114 8.335 8.335 7.926 0.409 18869 2588 1 7 . 1 1 115 115 GLU N N 115 120.444 120.444 117.379 3.065 18869 2589 1 7 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.197 0.011 18869 2590 1 7 . 1 1 115 115 GLU C C 115 178.931 178.931 179.159 -0.228 18869 2591 1 7 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.907 0.376 18869 2592 1 7 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.371 -0.270 18869 2593 1 7 . 1 1 115 115 GLU H H 115 7.971 7.971 8.146 -0.175 18869 2594 1 7 . 1 1 116 116 CYS N N 116 118.789 118.789 119.269 -0.480 18869 2595 1 7 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.318 -0.211 18869 2596 1 7 . 1 1 116 116 CYS C C 116 177.264 177.264 176.614 0.650 18869 2597 1 7 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.790 0.169 18869 2598 1 7 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.525 -0.918 18869 2599 1 7 . 1 1 116 116 CYS H H 116 7.989 7.989 7.632 0.357 18869 2600 1 7 . 1 1 117 117 LEU N N 117 120.670 120.670 120.883 -0.213 18869 2601 1 7 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.943 0.005 18869 2602 1 7 . 1 1 117 117 LEU C C 117 178.291 178.291 178.730 -0.439 18869 2603 1 7 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.808 -0.539 18869 2604 1 7 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.611 0.622 18869 2605 1 7 . 1 1 117 117 LEU H H 117 8.028 8.028 8.079 -0.051 18869 2606 1 7 . 1 1 118 118 ALA N N 118 122.520 122.520 119.921 2.599 18869 2607 1 7 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.014 0.190 18869 2608 1 7 . 1 1 118 118 ALA C C 118 179.805 179.805 179.407 0.398 18869 2609 1 7 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.896 -0.487 18869 2610 1 7 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.282 0.088 18869 2611 1 7 . 1 1 118 118 ALA H H 118 8.000 8.000 7.506 0.494 18869 2612 1 7 . 1 1 119 119 GLU N N 119 118.901 118.901 116.944 1.957 18869 2613 1 7 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.025 0.159 18869 2614 1 7 . 1 1 119 119 GLU C C 119 178.082 178.082 178.363 -0.281 18869 2615 1 7 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.529 -0.077 18869 2616 1 7 . 1 1 119 119 GLU CB C 119 29.666 29.666 28.652 1.014 18869 2617 1 7 . 1 1 119 119 GLU H H 119 8.094 8.094 8.576 -0.482 18869 2618 1 7 . 1 1 120 120 THR N N 120 113.828 113.828 115.975 -2.147 18869 2619 1 7 . 1 1 120 120 THR HA H 120 4.251 4.251 3.930 0.321 18869 2620 1 7 . 1 1 120 120 THR C C 120 176.051 176.051 175.548 0.503 18869 2621 1 7 . 1 1 120 120 THR CA C 120 64.664 64.664 66.524 -1.860 18869 2622 1 7 . 1 1 120 120 THR CB C 120 69.543 69.543 68.249 1.294 18869 2623 1 7 . 1 1 120 120 THR H H 120 7.976 7.976 7.912 0.064 18869 2624 1 7 . 1 1 121 121 GLU N N 121 121.927 121.927 120.680 1.247 18869 2625 1 7 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.031 0.213 18869 2626 1 7 . 1 1 121 121 GLU C C 121 177.730 177.730 178.263 -0.533 18869 2627 1 7 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.753 -0.829 18869 2628 1 7 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.905 -0.003 18869 2629 1 7 . 1 1 121 121 GLU H H 121 8.073 8.073 7.594 0.479 18869 2630 1 7 . 1 1 122 122 ARG N N 122 120.226 120.226 117.751 2.475 18869 2631 1 7 . 1 1 122 122 ARG HA H 122 4.254 4.254 3.979 0.275 18869 2632 1 7 . 1 1 122 122 ARG C C 122 177.289 177.289 177.528 -0.239 18869 2633 1 7 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.647 0.064 18869 2634 1 7 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.131 0.691 18869 2635 1 7 . 1 1 122 122 ARG H H 122 8.081 8.081 7.627 0.454 18869 2636 1 7 . 1 1 123 123 ASN N N 123 118.062 118.062 118.394 -0.332 18869 2637 1 7 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.588 0.154 18869 2638 1 7 . 1 1 123 123 ASN C C 123 175.035 175.035 174.756 0.279 18869 2639 1 7 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.145 0.575 18869 2640 1 7 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.835 0.207 18869 2641 1 7 . 1 1 123 123 ASN H H 123 8.229 8.229 7.969 0.260 18869 2642 1 7 . 1 1 124 124 ALA N N 124 123.469 123.469 129.324 -5.855 18869 2643 1 7 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.402 -0.010 18869 2644 1 7 . 1 1 124 124 ALA C C 124 177.587 177.587 177.122 0.465 18869 2645 1 7 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.034 0.745 18869 2646 1 7 . 1 1 124 124 ALA CB C 124 19.365 19.365 17.767 1.598 18869 2647 1 7 . 1 1 124 124 ALA H H 124 7.989 7.989 8.784 -0.795 18869 2648 1 7 . 1 1 125 125 ARG N N 125 120.186 120.186 120.492 -0.306 18869 2649 1 7 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.512 -0.026 18869 2650 1 7 . 1 1 125 125 ARG C C 125 175.804 175.804 177.112 -1.308 18869 2651 1 7 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.680 0.572 18869 2652 1 7 . 1 1 125 125 ARG CB C 125 30.858 30.858 31.203 -0.344 18869 2653 1 7 . 1 1 125 125 ARG H H 125 8.200 8.200 8.352 -0.152 18869 2654 1 8 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.835 -0.098 18869 2655 1 8 . 1 1 59 59 HIS C C 59 174.845 174.845 174.964 -0.119 18869 2656 1 8 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.712 0.721 18869 2657 1 8 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.779 -0.225 18869 2658 1 8 . 1 1 60 60 MET N N 60 121.666 121.666 125.196 -3.530 18869 2659 1 8 . 1 1 60 60 MET HA H 60 4.462 4.462 4.383 0.079 18869 2660 1 8 . 1 1 60 60 MET C C 60 175.495 175.495 175.757 -0.262 18869 2661 1 8 . 1 1 60 60 MET CA C 60 55.475 55.475 55.212 0.263 18869 2662 1 8 . 1 1 60 60 MET H H 60 8.324 8.324 8.686 -0.362 18869 2663 1 8 . 1 1 61 61 ALA N N 61 125.934 125.934 130.705 -4.771 18869 2664 1 8 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.723 -0.376 18869 2665 1 8 . 1 1 61 61 ALA C C 61 177.394 177.394 176.495 0.899 18869 2666 1 8 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.046 0.526 18869 2667 1 8 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.458 0.017 18869 2668 1 8 . 1 1 61 61 ALA H H 61 8.438 8.438 8.527 -0.089 18869 2669 1 8 . 1 1 62 62 MET N N 62 120.125 120.125 121.215 -1.090 18869 2670 1 8 . 1 1 62 62 MET HA H 62 4.489 4.489 4.603 -0.114 18869 2671 1 8 . 1 1 62 62 MET C C 62 175.850 175.850 175.389 0.461 18869 2672 1 8 . 1 1 62 62 MET CA C 62 55.350 55.350 55.810 -0.460 18869 2673 1 8 . 1 1 62 62 MET H H 62 8.369 8.369 8.330 0.039 18869 2674 1 8 . 1 1 63 63 LYS N N 63 124.280 124.280 126.662 -2.382 18869 2675 1 8 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.677 -0.032 18869 2676 1 8 . 1 1 63 63 LYS C C 63 173.722 173.722 174.367 -0.645 18869 2677 1 8 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.493 -0.251 18869 2678 1 8 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.584 -0.944 18869 2679 1 8 . 1 1 63 63 LYS H H 63 8.390 8.390 8.417 -0.027 18869 2680 1 8 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.550 0.193 18869 2681 1 8 . 1 1 64 64 PRO CA C 64 61.556 61.556 62.112 -0.556 18869 2682 1 8 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.252 -0.305 18869 2683 1 8 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.339 0.124 18869 2684 1 8 . 1 1 65 65 PRO C C 65 177.677 177.677 177.870 -0.193 18869 2685 1 8 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.193 0.285 18869 2686 1 8 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.405 0.684 18869 2687 1 8 . 1 1 66 66 GLY N N 66 109.177 109.177 112.443 -3.266 18869 2688 1 8 . 1 1 66 66 GLY C C 66 173.968 173.968 174.823 -0.855 18869 2689 1 8 . 1 1 66 66 GLY CA C 66 45.248 45.248 46.054 -0.806 18869 2690 1 8 . 1 1 66 66 GLY H H 66 8.501 8.501 8.537 -0.036 18869 2691 1 8 . 1 1 67 67 ALA N N 67 123.867 123.867 122.189 1.678 18869 2692 1 8 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.152 0.236 18869 2693 1 8 . 1 1 67 67 ALA C C 67 177.984 177.984 178.080 -0.096 18869 2694 1 8 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.790 -0.232 18869 2695 1 8 . 1 1 67 67 ALA CB C 67 19.392 19.392 18.529 0.863 18869 2696 1 8 . 1 1 67 67 ALA H H 67 8.224 8.224 7.681 0.543 18869 2697 1 8 . 1 1 68 68 GLN N N 68 119.754 119.754 120.422 -0.668 18869 2698 1 8 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.135 0.254 18869 2699 1 8 . 1 1 68 68 GLN C C 68 176.666 176.666 176.258 0.408 18869 2700 1 8 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.916 0.342 18869 2701 1 8 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.159 0.352 18869 2702 1 8 . 1 1 68 68 GLN H H 68 8.540 8.540 7.577 0.963 18869 2703 1 8 . 1 1 69 69 GLY N N 69 110.258 110.258 114.924 -4.666 18869 2704 1 8 . 1 1 69 69 GLY C C 69 174.333 174.333 174.569 -0.236 18869 2705 1 8 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.704 0.812 18869 2706 1 8 . 1 1 69 69 GLY H H 69 8.516 8.516 8.732 -0.216 18869 2707 1 8 . 1 1 70 70 SER N N 70 116.141 116.141 115.967 0.174 18869 2708 1 8 . 1 1 70 70 SER HA H 70 4.504 4.504 4.307 0.197 18869 2709 1 8 . 1 1 70 70 SER C C 70 174.792 174.792 175.890 -1.098 18869 2710 1 8 . 1 1 70 70 SER CA C 70 58.792 58.792 60.401 -1.609 18869 2711 1 8 . 1 1 70 70 SER CB C 70 64.011 64.011 63.598 0.413 18869 2712 1 8 . 1 1 70 70 SER H H 70 8.387 8.387 8.583 -0.196 18869 2713 1 8 . 1 1 71 71 GLN N N 71 122.245 122.245 119.512 2.733 18869 2714 1 8 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.453 -0.049 18869 2715 1 8 . 1 1 71 71 GLN C C 71 176.805 176.805 176.997 -0.192 18869 2716 1 8 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.103 1.130 18869 2717 1 8 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.015 1.096 18869 2718 1 8 . 1 1 71 71 GLN H H 71 8.639 8.639 8.729 -0.090 18869 2719 1 8 . 1 1 72 72 SER N N 72 116.778 116.778 115.738 1.040 18869 2720 1 8 . 1 1 72 72 SER HA H 72 4.536 4.536 4.264 0.272 18869 2721 1 8 . 1 1 72 72 SER C C 72 175.305 175.305 176.244 -0.939 18869 2722 1 8 . 1 1 72 72 SER CA C 72 59.356 59.356 61.796 -2.440 18869 2723 1 8 . 1 1 72 72 SER CB C 72 63.977 63.977 62.771 1.206 18869 2724 1 8 . 1 1 72 72 SER H H 72 8.516 8.516 7.713 0.803 18869 2725 1 8 . 1 1 73 73 THR N N 73 119.063 119.063 117.393 1.670 18869 2726 1 8 . 1 1 73 73 THR HA H 73 4.045 4.045 4.110 -0.065 18869 2727 1 8 . 1 1 73 73 THR C C 73 176.016 176.016 176.252 -0.236 18869 2728 1 8 . 1 1 73 73 THR CA C 73 65.705 65.705 65.520 0.185 18869 2729 1 8 . 1 1 73 73 THR CB C 73 68.743 68.743 68.675 0.068 18869 2730 1 8 . 1 1 73 73 THR H H 73 8.305 8.305 8.323 -0.018 18869 2731 1 8 . 1 1 74 74 TYR N N 74 118.707 118.707 120.642 -1.935 18869 2732 1 8 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.459 -0.185 18869 2733 1 8 . 1 1 74 74 TYR C C 74 177.613 177.613 177.105 0.508 18869 2734 1 8 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.866 1.238 18869 2735 1 8 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.042 0.075 18869 2736 1 8 . 1 1 74 74 TYR H H 74 7.905 7.905 8.422 -0.517 18869 2737 1 8 . 1 1 75 75 THR N N 75 114.583 114.583 116.564 -1.981 18869 2738 1 8 . 1 1 75 75 THR HA H 75 3.992 3.992 3.889 0.103 18869 2739 1 8 . 1 1 75 75 THR C C 75 177.381 177.381 175.815 1.566 18869 2740 1 8 . 1 1 75 75 THR CA C 75 66.363 66.363 67.125 -0.762 18869 2741 1 8 . 1 1 75 75 THR CB C 75 68.324 68.324 68.381 -0.057 18869 2742 1 8 . 1 1 75 75 THR H H 75 8.027 8.027 7.889 0.138 18869 2743 1 8 . 1 1 76 76 ASP N N 76 124.495 124.495 122.305 2.190 18869 2744 1 8 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.351 0.146 18869 2745 1 8 . 1 1 76 76 ASP C C 76 178.510 178.510 178.063 0.447 18869 2746 1 8 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.359 -0.072 18869 2747 1 8 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.978 -0.749 18869 2748 1 8 . 1 1 76 76 ASP H H 76 8.293 8.293 7.970 0.323 18869 2749 1 8 . 1 1 77 77 LEU N N 77 121.803 121.803 120.588 1.215 18869 2750 1 8 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.887 0.116 18869 2751 1 8 . 1 1 77 77 LEU C C 77 177.976 177.976 177.947 0.029 18869 2752 1 8 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.881 0.143 18869 2753 1 8 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.678 0.244 18869 2754 1 8 . 1 1 77 77 LEU H H 77 8.301 8.301 7.654 0.647 18869 2755 1 8 . 1 1 78 78 LEU N N 78 119.070 119.070 118.561 0.509 18869 2756 1 8 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.835 0.202 18869 2757 1 8 . 1 1 78 78 LEU C C 78 179.095 179.095 178.636 0.459 18869 2758 1 8 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.845 0.801 18869 2759 1 8 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.371 -0.054 18869 2760 1 8 . 1 1 78 78 LEU H H 78 8.380 8.380 7.519 0.861 18869 2761 1 8 . 1 1 79 79 SER N N 79 114.297 114.297 114.634 -0.337 18869 2762 1 8 . 1 1 79 79 SER HA H 79 4.337 4.337 4.228 0.109 18869 2763 1 8 . 1 1 79 79 SER C C 79 176.729 176.729 176.630 0.099 18869 2764 1 8 . 1 1 79 79 SER CA C 79 62.031 62.031 61.839 0.192 18869 2765 1 8 . 1 1 79 79 SER CB C 79 62.761 62.761 62.797 -0.036 18869 2766 1 8 . 1 1 79 79 SER H H 79 7.976 7.976 7.637 0.339 18869 2767 1 8 . 1 1 80 80 VAL N N 80 122.776 122.776 123.333 -0.557 18869 2768 1 8 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.899 -0.038 18869 2769 1 8 . 1 1 80 80 VAL C C 80 178.463 178.463 177.416 1.047 18869 2770 1 8 . 1 1 80 80 VAL CA C 80 66.195 66.195 65.923 0.272 18869 2771 1 8 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.145 0.767 18869 2772 1 8 . 1 1 80 80 VAL H H 80 8.126 8.126 7.810 0.316 18869 2773 1 8 . 1 1 81 81 ILE N N 81 121.312 121.312 119.229 2.083 18869 2774 1 8 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.700 0.095 18869 2775 1 8 . 1 1 81 81 ILE C C 81 177.475 177.475 178.206 -0.731 18869 2776 1 8 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.238 1.887 18869 2777 1 8 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.126 1.604 18869 2778 1 8 . 1 1 81 81 ILE H H 81 8.236 8.236 7.668 0.568 18869 2779 1 8 . 1 1 82 82 GLU N N 82 119.637 119.637 120.510 -0.873 18869 2780 1 8 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.033 0.126 18869 2781 1 8 . 1 1 82 82 GLU C C 82 180.592 180.592 178.650 1.942 18869 2782 1 8 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.362 -0.184 18869 2783 1 8 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.490 -0.223 18869 2784 1 8 . 1 1 82 82 GLU H H 82 8.326 8.326 7.724 0.602 18869 2785 1 8 . 1 1 83 83 GLU N N 83 119.955 119.955 119.243 0.712 18869 2786 1 8 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.021 0.038 18869 2787 1 8 . 1 1 83 83 GLU C C 83 179.428 179.428 179.314 0.114 18869 2788 1 8 . 1 1 83 83 GLU CA C 83 59.590 59.590 59.284 0.306 18869 2789 1 8 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.713 -0.442 18869 2790 1 8 . 1 1 83 83 GLU H H 83 8.383 8.383 7.877 0.506 18869 2791 1 8 . 1 1 84 84 MET N N 84 118.367 118.367 115.652 2.715 18869 2792 1 8 . 1 1 84 84 MET HA H 84 4.066 4.066 4.415 -0.349 18869 2793 1 8 . 1 1 84 84 MET C C 84 179.303 179.303 178.362 0.941 18869 2794 1 8 . 1 1 84 84 MET CA C 84 60.047 60.047 58.521 1.526 18869 2795 1 8 . 1 1 84 84 MET CB C 84 34.431 34.431 32.484 1.947 18869 2796 1 8 . 1 1 84 84 MET H H 84 8.335 8.335 8.196 0.139 18869 2797 1 8 . 1 1 85 85 GLY N N 85 104.067 104.067 107.563 -3.496 18869 2798 1 8 . 1 1 85 85 GLY C C 85 176.612 176.612 175.527 1.085 18869 2799 1 8 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.847 0.696 18869 2800 1 8 . 1 1 85 85 GLY H H 85 8.219 8.219 7.919 0.300 18869 2801 1 8 . 1 1 86 86 LYS N N 86 119.651 119.651 118.818 0.833 18869 2802 1 8 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.261 0.012 18869 2803 1 8 . 1 1 86 86 LYS C C 86 177.390 177.390 178.734 -1.344 18869 2804 1 8 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.591 -0.110 18869 2805 1 8 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.502 0.092 18869 2806 1 8 . 1 1 86 86 LYS H H 86 7.585 7.585 7.817 -0.232 18869 2807 1 8 . 1 1 87 87 GLU N N 87 114.250 114.250 119.585 -5.335 18869 2808 1 8 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.224 0.961 18869 2809 1 8 . 1 1 87 87 GLU C C 87 179.381 179.381 178.398 0.983 18869 2810 1 8 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.103 -2.300 18869 2811 1 8 . 1 1 87 87 GLU CB C 87 29.632 29.632 28.543 1.089 18869 2812 1 8 . 1 1 87 87 GLU H H 87 7.710 7.710 7.644 0.066 18869 2813 1 8 . 1 1 88 88 ILE N N 88 122.587 122.587 121.038 1.549 18869 2814 1 8 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.663 -0.187 18869 2815 1 8 . 1 1 88 88 ILE C C 88 175.990 175.990 177.632 -1.642 18869 2816 1 8 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.242 2.269 18869 2817 1 8 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.503 0.455 18869 2818 1 8 . 1 1 88 88 ILE H H 88 7.471 7.471 7.626 -0.155 18869 2819 1 8 . 1 1 89 89 ARG N N 89 118.954 118.954 120.266 -1.312 18869 2820 1 8 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.228 0.141 18869 2821 1 8 . 1 1 89 89 ARG C C 89 176.834 176.834 175.630 1.204 18869 2822 1 8 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.522 -0.133 18869 2823 1 8 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.518 -1.620 18869 2824 1 8 . 1 1 89 89 ARG H H 89 8.983 8.983 7.726 1.257 18869 2825 1 8 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.367 0.170 18869 2826 1 8 . 1 1 90 90 PRO C C 90 178.848 178.848 178.446 0.402 18869 2827 1 8 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.608 0.362 18869 2828 1 8 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.278 -1.016 18869 2829 1 8 . 1 1 91 91 THR N N 91 118.284 118.284 116.603 1.681 18869 2830 1 8 . 1 1 91 91 THR HA H 91 4.461 4.461 4.259 0.202 18869 2831 1 8 . 1 1 91 91 THR C C 91 176.982 176.982 177.037 -0.055 18869 2832 1 8 . 1 1 91 91 THR CA C 91 67.247 67.247 67.339 -0.092 18869 2833 1 8 . 1 1 91 91 THR CB C 91 69.454 69.454 68.606 0.848 18869 2834 1 8 . 1 1 91 91 THR H H 91 7.734 7.734 7.847 -0.113 18869 2835 1 8 . 1 1 92 92 TYR N N 92 123.739 123.739 122.813 0.926 18869 2836 1 8 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.261 0.583 18869 2837 1 8 . 1 1 92 92 TYR C C 92 177.320 177.320 176.293 1.027 18869 2838 1 8 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.314 -1.506 18869 2839 1 8 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.397 0.804 18869 2840 1 8 . 1 1 92 92 TYR H H 92 8.420 8.420 8.235 0.185 18869 2841 1 8 . 1 1 93 93 ALA N N 93 120.159 120.159 118.098 2.061 18869 2842 1 8 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.369 -0.198 18869 2843 1 8 . 1 1 93 93 ALA C C 93 177.685 177.685 177.619 0.066 18869 2844 1 8 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.817 0.162 18869 2845 1 8 . 1 1 93 93 ALA CB C 93 18.511 18.511 18.840 -0.329 18869 2846 1 8 . 1 1 93 93 ALA H H 93 7.929 7.929 7.541 0.388 18869 2847 1 8 . 1 1 94 94 GLY N N 94 108.770 108.770 107.127 1.643 18869 2848 1 8 . 1 1 94 94 GLY C C 94 174.896 174.896 174.987 -0.091 18869 2849 1 8 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.026 0.856 18869 2850 1 8 . 1 1 94 94 GLY H H 94 8.311 8.311 7.682 0.629 18869 2851 1 8 . 1 1 95 95 SER N N 95 115.316 115.316 119.714 -4.398 18869 2852 1 8 . 1 1 95 95 SER HA H 95 4.774 4.774 4.562 0.212 18869 2853 1 8 . 1 1 95 95 SER C C 95 175.089 175.089 175.168 -0.079 18869 2854 1 8 . 1 1 95 95 SER CA C 95 57.083 57.083 57.969 -0.886 18869 2855 1 8 . 1 1 95 95 SER CB C 95 62.543 62.543 62.918 -0.375 18869 2856 1 8 . 1 1 95 95 SER H H 95 8.363 8.363 7.869 0.494 18869 2857 1 8 . 1 1 96 96 LYS N N 96 134.180 134.180 127.871 6.309 18869 2858 1 8 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.050 -0.066 18869 2859 1 8 . 1 1 96 96 LYS C C 96 178.195 178.195 178.491 -0.296 18869 2860 1 8 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.307 0.590 18869 2861 1 8 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.857 1.090 18869 2862 1 8 . 1 1 96 96 LYS H H 96 9.099 9.099 8.297 0.802 18869 2863 1 8 . 1 1 97 97 SER N N 97 113.650 113.650 115.572 -1.922 18869 2864 1 8 . 1 1 97 97 SER HA H 97 4.230 4.230 4.230 0.000 18869 2865 1 8 . 1 1 97 97 SER C C 97 177.304 177.304 175.899 1.405 18869 2866 1 8 . 1 1 97 97 SER CA C 97 61.152 61.152 60.798 0.354 18869 2867 1 8 . 1 1 97 97 SER CB C 97 62.101 62.101 62.362 -0.261 18869 2868 1 8 . 1 1 97 97 SER H H 97 8.383 8.383 8.443 -0.060 18869 2869 1 8 . 1 1 98 98 ALA N N 98 126.790 126.790 123.578 3.212 18869 2870 1 8 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.220 -0.193 18869 2871 1 8 . 1 1 98 98 ALA C C 98 178.317 178.317 179.616 -1.299 18869 2872 1 8 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.626 0.681 18869 2873 1 8 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.396 1.361 18869 2874 1 8 . 1 1 98 98 ALA H H 98 7.771 7.771 8.114 -0.343 18869 2875 1 8 . 1 1 99 99 MET N N 99 119.910 119.910 119.910 0.000 18869 2876 1 8 . 1 1 99 99 MET HA H 99 3.944 3.944 4.215 -0.271 18869 2877 1 8 . 1 1 99 99 MET C C 99 178.584 178.584 178.131 0.453 18869 2878 1 8 . 1 1 99 99 MET CA C 99 59.584 59.584 58.102 1.482 18869 2879 1 8 . 1 1 99 99 MET H H 99 7.856 7.856 7.955 -0.099 18869 2880 1 8 . 1 1 100 100 GLU N N 100 118.105 118.105 119.268 -1.163 18869 2881 1 8 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.995 -0.012 18869 2882 1 8 . 1 1 100 100 GLU C C 100 180.292 180.292 178.915 1.377 18869 2883 1 8 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.565 -0.131 18869 2884 1 8 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.529 -0.281 18869 2885 1 8 . 1 1 100 100 GLU H H 100 8.255 8.255 8.209 0.046 18869 2886 1 8 . 1 1 101 101 ARG N N 101 120.780 120.780 119.362 1.418 18869 2887 1 8 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.207 -0.174 18869 2888 1 8 . 1 1 101 101 ARG C C 101 180.619 180.619 178.824 1.795 18869 2889 1 8 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.672 2.125 18869 2890 1 8 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.245 0.560 18869 2891 1 8 . 1 1 101 101 ARG H H 101 7.973 7.973 7.477 0.496 18869 2892 1 8 . 1 1 102 102 LEU N N 102 125.866 125.866 121.647 4.219 18869 2893 1 8 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.224 -0.081 18869 2894 1 8 . 1 1 102 102 LEU C C 102 178.209 178.209 178.018 0.191 18869 2895 1 8 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.756 1.436 18869 2896 1 8 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.980 -0.160 18869 2897 1 8 . 1 1 102 102 LEU H H 102 8.781 8.781 8.187 0.594 18869 2898 1 8 . 1 1 103 103 LYS N N 103 118.426 118.426 118.876 -0.450 18869 2899 1 8 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.927 -0.079 18869 2900 1 8 . 1 1 103 103 LYS C C 103 179.666 179.666 178.889 0.777 18869 2901 1 8 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.003 0.597 18869 2902 1 8 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.042 0.689 18869 2903 1 8 . 1 1 103 103 LYS H H 103 8.573 8.573 8.121 0.452 18869 2904 1 8 . 1 1 104 104 ARG N N 104 117.936 117.936 119.966 -2.030 18869 2905 1 8 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.067 -0.017 18869 2906 1 8 . 1 1 104 104 ARG C C 104 179.190 179.190 178.468 0.722 18869 2907 1 8 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.227 0.309 18869 2908 1 8 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.037 0.013 18869 2909 1 8 . 1 1 104 104 ARG H H 104 8.154 8.154 8.015 0.139 18869 2910 1 8 . 1 1 105 105 GLY N N 105 110.339 110.339 107.986 2.353 18869 2911 1 8 . 1 1 105 105 GLY C C 105 174.974 174.974 176.312 -1.338 18869 2912 1 8 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.292 0.414 18869 2913 1 8 . 1 1 105 105 GLY H H 105 8.265 8.265 8.040 0.225 18869 2914 1 8 . 1 1 106 106 ILE N N 106 122.669 122.669 122.914 -0.245 18869 2915 1 8 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.883 -0.162 18869 2916 1 8 . 1 1 106 106 ILE C C 106 177.749 177.749 178.155 -0.406 18869 2917 1 8 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.449 -0.338 18869 2918 1 8 . 1 1 106 106 ILE CB C 106 36.286 36.286 37.989 -1.703 18869 2919 1 8 . 1 1 106 106 ILE H H 106 8.028 8.028 7.478 0.550 18869 2920 1 8 . 1 1 107 107 ILE N N 107 119.626 119.626 120.295 -0.669 18869 2921 1 8 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.525 0.127 18869 2922 1 8 . 1 1 107 107 ILE C C 107 179.292 179.292 177.867 1.425 18869 2923 1 8 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.983 -0.676 18869 2924 1 8 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.583 0.826 18869 2925 1 8 . 1 1 107 107 ILE H H 107 7.481 7.481 7.999 -0.518 18869 2926 1 8 . 1 1 108 108 HIS N N 108 120.644 120.644 119.563 1.081 18869 2927 1 8 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.160 0.542 18869 2928 1 8 . 1 1 108 108 HIS C C 108 177.121 177.121 177.190 -0.069 18869 2929 1 8 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.479 -1.915 18869 2930 1 8 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.501 -0.057 18869 2931 1 8 . 1 1 108 108 HIS H H 108 8.396 8.396 8.396 -0.000 18869 2932 1 8 . 1 1 109 109 ALA N N 109 121.460 121.460 121.082 0.378 18869 2933 1 8 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.884 0.024 18869 2934 1 8 . 1 1 109 109 ALA C C 109 178.810 178.810 179.173 -0.363 18869 2935 1 8 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.344 0.231 18869 2936 1 8 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.320 -0.721 18869 2937 1 8 . 1 1 109 109 ALA H H 109 9.416 9.416 8.125 1.291 18869 2938 1 8 . 1 1 110 110 ARG N N 110 116.845 116.845 119.385 -2.540 18869 2939 1 8 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.065 -0.332 18869 2940 1 8 . 1 1 110 110 ARG C C 110 177.800 177.800 178.366 -0.566 18869 2941 1 8 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.204 1.227 18869 2942 1 8 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.321 0.569 18869 2943 1 8 . 1 1 110 110 ARG H H 110 8.579 8.579 8.366 0.213 18869 2944 1 8 . 1 1 111 111 ALA N N 111 120.689 120.689 122.322 -1.633 18869 2945 1 8 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.134 0.026 18869 2946 1 8 . 1 1 111 111 ALA C C 111 181.315 181.315 179.802 1.513 18869 2947 1 8 . 1 1 111 111 ALA CA C 111 55.413 55.413 55.015 0.398 18869 2948 1 8 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.116 -0.050 18869 2949 1 8 . 1 1 111 111 ALA H H 111 7.808 7.808 7.801 0.007 18869 2950 1 8 . 1 1 112 112 LEU N N 112 119.511 119.511 119.750 -0.239 18869 2951 1 8 . 1 1 112 112 LEU C C 112 179.788 179.788 179.528 0.260 18869 2952 1 8 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.521 0.476 18869 2953 1 8 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.988 0.885 18869 2954 1 8 . 1 1 112 112 LEU H H 112 8.308 8.308 7.583 0.725 18869 2955 1 8 . 1 1 113 113 VAL N N 113 119.879 119.879 117.570 2.309 18869 2956 1 8 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.664 -0.110 18869 2957 1 8 . 1 1 113 113 VAL C C 113 178.238 178.238 178.247 -0.009 18869 2958 1 8 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.010 1.631 18869 2959 1 8 . 1 1 113 113 VAL CB C 113 31.376 31.376 30.988 0.388 18869 2960 1 8 . 1 1 113 113 VAL H H 113 8.502 8.502 8.257 0.245 18869 2961 1 8 . 1 1 114 114 ARG N N 114 118.928 118.928 120.186 -1.258 18869 2962 1 8 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.990 -0.001 18869 2963 1 8 . 1 1 114 114 ARG C C 114 179.368 179.368 178.308 1.060 18869 2964 1 8 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.041 1.166 18869 2965 1 8 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.839 -1.267 18869 2966 1 8 . 1 1 114 114 ARG H H 114 8.335 8.335 8.202 0.133 18869 2967 1 8 . 1 1 115 115 GLU N N 115 120.444 120.444 118.458 1.986 18869 2968 1 8 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.130 0.078 18869 2969 1 8 . 1 1 115 115 GLU C C 115 178.931 178.931 179.384 -0.453 18869 2970 1 8 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.878 0.405 18869 2971 1 8 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.232 -0.131 18869 2972 1 8 . 1 1 115 115 GLU H H 115 7.971 7.971 8.074 -0.103 18869 2973 1 8 . 1 1 116 116 CYS N N 116 118.789 118.789 118.780 0.009 18869 2974 1 8 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.339 -0.232 18869 2975 1 8 . 1 1 116 116 CYS C C 116 177.264 177.264 176.324 0.940 18869 2976 1 8 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.230 0.729 18869 2977 1 8 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.227 -0.620 18869 2978 1 8 . 1 1 116 116 CYS H H 116 7.989 7.989 7.875 0.114 18869 2979 1 8 . 1 1 117 117 LEU N N 117 120.670 120.670 121.226 -0.556 18869 2980 1 8 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.816 0.132 18869 2981 1 8 . 1 1 117 117 LEU C C 117 178.291 178.291 178.463 -0.172 18869 2982 1 8 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.945 -0.676 18869 2983 1 8 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.278 0.955 18869 2984 1 8 . 1 1 117 117 LEU H H 117 8.028 8.028 8.097 -0.069 18869 2985 1 8 . 1 1 118 118 ALA N N 118 122.520 122.520 121.492 1.028 18869 2986 1 8 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.969 0.235 18869 2987 1 8 . 1 1 118 118 ALA C C 118 179.805 179.805 178.601 1.204 18869 2988 1 8 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.078 -0.669 18869 2989 1 8 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.157 0.213 18869 2990 1 8 . 1 1 118 118 ALA H H 118 8.000 8.000 7.570 0.430 18869 2991 1 8 . 1 1 119 119 GLU N N 119 118.901 118.901 115.950 2.951 18869 2992 1 8 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.207 -0.023 18869 2993 1 8 . 1 1 119 119 GLU C C 119 178.082 178.082 178.979 -0.897 18869 2994 1 8 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.339 0.113 18869 2995 1 8 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.491 0.175 18869 2996 1 8 . 1 1 119 119 GLU H H 119 8.094 8.094 7.899 0.195 18869 2997 1 8 . 1 1 120 120 THR N N 120 113.828 113.828 117.527 -3.699 18869 2998 1 8 . 1 1 120 120 THR HA H 120 4.251 4.251 4.071 0.180 18869 2999 1 8 . 1 1 120 120 THR C C 120 176.051 176.051 175.658 0.393 18869 3000 1 8 . 1 1 120 120 THR CA C 120 64.664 64.664 65.511 -0.847 18869 3001 1 8 . 1 1 120 120 THR CB C 120 69.543 69.543 68.447 1.096 18869 3002 1 8 . 1 1 120 120 THR H H 120 7.976 7.976 8.114 -0.138 18869 3003 1 8 . 1 1 121 121 GLU N N 121 121.927 121.927 119.991 1.936 18869 3004 1 8 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.096 0.148 18869 3005 1 8 . 1 1 121 121 GLU C C 121 177.730 177.730 177.900 -0.170 18869 3006 1 8 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.388 -0.464 18869 3007 1 8 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.396 0.506 18869 3008 1 8 . 1 1 121 121 GLU H H 121 8.073 8.073 7.688 0.385 18869 3009 1 8 . 1 1 122 122 ARG N N 122 120.226 120.226 117.128 3.098 18869 3010 1 8 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.173 0.081 18869 3011 1 8 . 1 1 122 122 ARG C C 122 177.289 177.289 176.577 0.712 18869 3012 1 8 . 1 1 122 122 ARG CA C 122 57.711 57.711 56.517 1.194 18869 3013 1 8 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.626 0.196 18869 3014 1 8 . 1 1 122 122 ARG H H 122 8.081 8.081 7.423 0.658 18869 3015 1 8 . 1 1 123 123 ASN N N 123 118.062 118.062 118.823 -0.761 18869 3016 1 8 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.588 0.154 18869 3017 1 8 . 1 1 123 123 ASN C C 123 175.035 175.035 174.194 0.841 18869 3018 1 8 . 1 1 123 123 ASN CA C 123 53.720 53.720 54.056 -0.336 18869 3019 1 8 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.254 -0.212 18869 3020 1 8 . 1 1 123 123 ASN H H 123 8.229 8.229 7.636 0.593 18869 3021 1 8 . 1 1 124 124 ALA N N 124 123.469 123.469 124.601 -1.132 18869 3022 1 8 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.445 -0.053 18869 3023 1 8 . 1 1 124 124 ALA C C 124 177.587 177.587 176.298 1.289 18869 3024 1 8 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.227 1.552 18869 3025 1 8 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.170 0.195 18869 3026 1 8 . 1 1 124 124 ALA H H 124 7.989 7.989 8.247 -0.258 18869 3027 1 8 . 1 1 125 125 ARG N N 125 120.186 120.186 121.958 -1.772 18869 3028 1 8 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.431 0.055 18869 3029 1 8 . 1 1 125 125 ARG C C 125 175.804 175.804 176.517 -0.713 18869 3030 1 8 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.235 0.017 18869 3031 1 8 . 1 1 125 125 ARG CB C 125 30.858 30.858 31.202 -0.344 18869 3032 1 8 . 1 1 125 125 ARG H H 125 8.200 8.200 8.174 0.026 18869 3033 1 9 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.804 -0.067 18869 3034 1 9 . 1 1 59 59 HIS C C 59 174.845 174.845 173.888 0.957 18869 3035 1 9 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.488 0.944 18869 3036 1 9 . 1 1 59 59 HIS CB C 59 30.554 30.554 31.742 -1.188 18869 3037 1 9 . 1 1 60 60 MET N N 60 121.666 121.666 122.341 -0.675 18869 3038 1 9 . 1 1 60 60 MET HA H 60 4.462 4.462 4.489 -0.027 18869 3039 1 9 . 1 1 60 60 MET C C 60 175.495 175.495 176.071 -0.576 18869 3040 1 9 . 1 1 60 60 MET CA C 60 55.475 55.475 55.120 0.355 18869 3041 1 9 . 1 1 60 60 MET H H 60 8.324 8.324 8.684 -0.360 18869 3042 1 9 . 1 1 61 61 ALA N N 61 125.934 125.934 124.391 1.543 18869 3043 1 9 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.438 -0.091 18869 3044 1 9 . 1 1 61 61 ALA C C 61 177.394 177.394 177.931 -0.537 18869 3045 1 9 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.221 0.351 18869 3046 1 9 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.486 -0.011 18869 3047 1 9 . 1 1 61 61 ALA H H 61 8.438 8.438 8.065 0.373 18869 3048 1 9 . 1 1 62 62 MET N N 62 120.125 120.125 119.675 0.450 18869 3049 1 9 . 1 1 62 62 MET HA H 62 4.489 4.489 4.367 0.122 18869 3050 1 9 . 1 1 62 62 MET C C 62 175.850 175.850 175.433 0.417 18869 3051 1 9 . 1 1 62 62 MET CA C 62 55.350 55.350 55.715 -0.365 18869 3052 1 9 . 1 1 62 62 MET H H 62 8.369 8.369 7.866 0.503 18869 3053 1 9 . 1 1 63 63 LYS N N 63 124.280 124.280 122.286 1.994 18869 3054 1 9 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.212 0.433 18869 3055 1 9 . 1 1 63 63 LYS C C 63 173.722 173.722 174.316 -0.594 18869 3056 1 9 . 1 1 63 63 LYS CA C 63 54.242 54.242 56.149 -1.907 18869 3057 1 9 . 1 1 63 63 LYS CB C 63 32.640 32.640 30.727 1.913 18869 3058 1 9 . 1 1 63 63 LYS H H 63 8.390 8.390 8.516 -0.126 18869 3059 1 9 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.716 0.027 18869 3060 1 9 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.186 0.370 18869 3061 1 9 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.924 -0.977 18869 3062 1 9 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.333 0.130 18869 3063 1 9 . 1 1 65 65 PRO C C 65 177.677 177.677 177.437 0.240 18869 3064 1 9 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.338 0.140 18869 3065 1 9 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.731 0.358 18869 3066 1 9 . 1 1 66 66 GLY N N 66 109.177 109.177 112.609 -3.432 18869 3067 1 9 . 1 1 66 66 GLY C C 66 173.968 173.968 173.378 0.590 18869 3068 1 9 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.861 0.387 18869 3069 1 9 . 1 1 66 66 GLY H H 66 8.501 8.501 8.453 0.048 18869 3070 1 9 . 1 1 67 67 ALA N N 67 123.867 123.867 127.915 -4.048 18869 3071 1 9 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.613 -0.225 18869 3072 1 9 . 1 1 67 67 ALA C C 67 177.984 177.984 177.864 0.120 18869 3073 1 9 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.272 0.286 18869 3074 1 9 . 1 1 67 67 ALA CB C 67 19.392 19.392 20.203 -0.811 18869 3075 1 9 . 1 1 67 67 ALA H H 67 8.224 8.224 7.928 0.296 18869 3076 1 9 . 1 1 68 68 GLN N N 68 119.754 119.754 126.159 -6.405 18869 3077 1 9 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.112 0.277 18869 3078 1 9 . 1 1 68 68 GLN C C 68 176.666 176.666 177.115 -0.449 18869 3079 1 9 . 1 1 68 68 GLN CA C 68 56.258 56.258 56.254 0.004 18869 3080 1 9 . 1 1 68 68 GLN CB C 68 29.511 29.511 28.864 0.647 18869 3081 1 9 . 1 1 68 68 GLN H H 68 8.540 8.540 8.658 -0.118 18869 3082 1 9 . 1 1 69 69 GLY N N 69 110.258 110.258 109.851 0.407 18869 3083 1 9 . 1 1 69 69 GLY C C 69 174.333 174.333 174.812 -0.479 18869 3084 1 9 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.008 0.508 18869 3085 1 9 . 1 1 69 69 GLY H H 69 8.516 8.516 8.234 0.282 18869 3086 1 9 . 1 1 70 70 SER N N 70 116.141 116.141 114.576 1.565 18869 3087 1 9 . 1 1 70 70 SER HA H 70 4.504 4.504 4.275 0.229 18869 3088 1 9 . 1 1 70 70 SER C C 70 174.792 174.792 176.074 -1.282 18869 3089 1 9 . 1 1 70 70 SER CA C 70 58.792 58.792 60.085 -1.293 18869 3090 1 9 . 1 1 70 70 SER CB C 70 64.011 64.011 63.642 0.370 18869 3091 1 9 . 1 1 70 70 SER H H 70 8.387 8.387 8.355 0.032 18869 3092 1 9 . 1 1 71 71 GLN N N 71 122.245 122.245 119.980 2.265 18869 3093 1 9 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.543 -0.139 18869 3094 1 9 . 1 1 71 71 GLN C C 71 176.805 176.805 177.643 -0.838 18869 3095 1 9 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.275 0.958 18869 3096 1 9 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.746 0.365 18869 3097 1 9 . 1 1 71 71 GLN H H 71 8.639 8.639 8.573 0.066 18869 3098 1 9 . 1 1 72 72 SER N N 72 116.778 116.778 116.706 0.072 18869 3099 1 9 . 1 1 72 72 SER HA H 72 4.536 4.536 4.142 0.394 18869 3100 1 9 . 1 1 72 72 SER C C 72 175.305 175.305 176.336 -1.031 18869 3101 1 9 . 1 1 72 72 SER CA C 72 59.356 59.356 61.614 -2.257 18869 3102 1 9 . 1 1 72 72 SER CB C 72 63.977 63.977 62.678 1.299 18869 3103 1 9 . 1 1 72 72 SER H H 72 8.516 8.516 8.202 0.314 18869 3104 1 9 . 1 1 73 73 THR N N 73 119.063 119.063 116.809 2.254 18869 3105 1 9 . 1 1 73 73 THR HA H 73 4.045 4.045 4.037 0.008 18869 3106 1 9 . 1 1 73 73 THR C C 73 176.016 176.016 176.756 -0.740 18869 3107 1 9 . 1 1 73 73 THR CA C 73 65.705 65.705 66.142 -0.437 18869 3108 1 9 . 1 1 73 73 THR CB C 73 68.743 68.743 68.790 -0.048 18869 3109 1 9 . 1 1 73 73 THR H H 73 8.305 8.305 8.454 -0.149 18869 3110 1 9 . 1 1 74 74 TYR N N 74 118.707 118.707 120.540 -1.833 18869 3111 1 9 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.499 -0.225 18869 3112 1 9 . 1 1 74 74 TYR C C 74 177.613 177.613 177.452 0.161 18869 3113 1 9 . 1 1 74 74 TYR CA C 74 61.104 61.104 58.913 2.191 18869 3114 1 9 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.302 -0.185 18869 3115 1 9 . 1 1 74 74 TYR H H 74 7.905 7.905 7.858 0.047 18869 3116 1 9 . 1 1 75 75 THR N N 75 114.583 114.583 116.614 -2.031 18869 3117 1 9 . 1 1 75 75 THR HA H 75 3.992 3.992 3.957 0.035 18869 3118 1 9 . 1 1 75 75 THR C C 75 177.381 177.381 176.595 0.786 18869 3119 1 9 . 1 1 75 75 THR CA C 75 66.363 66.363 66.931 -0.568 18869 3120 1 9 . 1 1 75 75 THR CB C 75 68.324 68.324 68.406 -0.082 18869 3121 1 9 . 1 1 75 75 THR H H 75 8.027 8.027 8.159 -0.132 18869 3122 1 9 . 1 1 76 76 ASP N N 76 124.495 124.495 122.545 1.950 18869 3123 1 9 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.418 0.079 18869 3124 1 9 . 1 1 76 76 ASP C C 76 178.510 178.510 178.114 0.396 18869 3125 1 9 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.989 -0.702 18869 3126 1 9 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.836 -0.607 18869 3127 1 9 . 1 1 76 76 ASP H H 76 8.293 8.293 8.514 -0.221 18869 3128 1 9 . 1 1 77 77 LEU N N 77 121.803 121.803 121.318 0.485 18869 3129 1 9 . 1 1 77 77 LEU HA H 77 4.003 4.003 4.010 -0.007 18869 3130 1 9 . 1 1 77 77 LEU C C 77 177.976 177.976 177.853 0.123 18869 3131 1 9 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.679 0.345 18869 3132 1 9 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.715 0.207 18869 3133 1 9 . 1 1 77 77 LEU H H 77 8.301 8.301 7.349 0.951 18869 3134 1 9 . 1 1 78 78 LEU N N 78 119.070 119.070 118.933 0.137 18869 3135 1 9 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.832 0.205 18869 3136 1 9 . 1 1 78 78 LEU C C 78 179.095 179.095 178.865 0.230 18869 3137 1 9 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.998 0.648 18869 3138 1 9 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.166 0.151 18869 3139 1 9 . 1 1 78 78 LEU H H 78 8.380 8.380 7.743 0.637 18869 3140 1 9 . 1 1 79 79 SER N N 79 114.297 114.297 113.507 0.790 18869 3141 1 9 . 1 1 79 79 SER HA H 79 4.337 4.337 4.226 0.111 18869 3142 1 9 . 1 1 79 79 SER C C 79 176.729 176.729 176.607 0.122 18869 3143 1 9 . 1 1 79 79 SER CA C 79 62.031 62.031 61.160 0.870 18869 3144 1 9 . 1 1 79 79 SER CB C 79 62.761 62.761 62.911 -0.150 18869 3145 1 9 . 1 1 79 79 SER H H 79 7.976 7.976 7.628 0.348 18869 3146 1 9 . 1 1 80 80 VAL N N 80 122.776 122.776 122.610 0.166 18869 3147 1 9 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.644 0.217 18869 3148 1 9 . 1 1 80 80 VAL C C 80 178.463 178.463 177.762 0.701 18869 3149 1 9 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.765 -0.570 18869 3150 1 9 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.610 0.302 18869 3151 1 9 . 1 1 80 80 VAL H H 80 8.126 8.126 8.046 0.080 18869 3152 1 9 . 1 1 81 81 ILE N N 81 121.312 121.312 119.216 2.096 18869 3153 1 9 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.709 0.086 18869 3154 1 9 . 1 1 81 81 ILE C C 81 177.475 177.475 178.417 -0.942 18869 3155 1 9 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.695 1.430 18869 3156 1 9 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.112 1.618 18869 3157 1 9 . 1 1 81 81 ILE H H 81 8.236 8.236 8.056 0.180 18869 3158 1 9 . 1 1 82 82 GLU N N 82 119.637 119.637 120.008 -0.371 18869 3159 1 9 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.985 0.174 18869 3160 1 9 . 1 1 82 82 GLU C C 82 180.592 180.592 179.093 1.499 18869 3161 1 9 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.347 -0.169 18869 3162 1 9 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.321 -0.054 18869 3163 1 9 . 1 1 82 82 GLU H H 82 8.326 8.326 7.692 0.634 18869 3164 1 9 . 1 1 83 83 GLU N N 83 119.955 119.955 118.324 1.631 18869 3165 1 9 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.077 -0.018 18869 3166 1 9 . 1 1 83 83 GLU C C 83 179.428 179.428 179.239 0.189 18869 3167 1 9 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.441 1.149 18869 3168 1 9 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.309 -0.038 18869 3169 1 9 . 1 1 83 83 GLU H H 83 8.383 8.383 7.955 0.428 18869 3170 1 9 . 1 1 84 84 MET N N 84 118.367 118.367 118.717 -0.350 18869 3171 1 9 . 1 1 84 84 MET HA H 84 4.066 4.066 4.044 0.022 18869 3172 1 9 . 1 1 84 84 MET C C 84 179.303 179.303 178.617 0.686 18869 3173 1 9 . 1 1 84 84 MET CA C 84 60.047 60.047 59.484 0.563 18869 3174 1 9 . 1 1 84 84 MET CB C 84 34.431 34.431 32.507 1.924 18869 3175 1 9 . 1 1 84 84 MET H H 84 8.335 8.335 8.447 -0.112 18869 3176 1 9 . 1 1 85 85 GLY N N 85 104.067 104.067 104.360 -0.293 18869 3177 1 9 . 1 1 85 85 GLY C C 85 176.612 176.612 174.874 1.738 18869 3178 1 9 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.655 0.888 18869 3179 1 9 . 1 1 85 85 GLY H H 85 8.219 8.219 7.986 0.233 18869 3180 1 9 . 1 1 86 86 LYS N N 86 119.651 119.651 119.293 0.358 18869 3181 1 9 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.359 -0.086 18869 3182 1 9 . 1 1 86 86 LYS C C 86 177.390 177.390 178.911 -1.521 18869 3183 1 9 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.663 -0.182 18869 3184 1 9 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.761 -0.167 18869 3185 1 9 . 1 1 86 86 LYS H H 86 7.585 7.585 7.307 0.278 18869 3186 1 9 . 1 1 87 87 GLU N N 87 114.250 114.250 119.729 -5.479 18869 3187 1 9 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.192 0.993 18869 3188 1 9 . 1 1 87 87 GLU C C 87 179.381 179.381 178.560 0.821 18869 3189 1 9 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.733 -2.929 18869 3190 1 9 . 1 1 87 87 GLU CB C 87 29.632 29.632 28.784 0.848 18869 3191 1 9 . 1 1 87 87 GLU H H 87 7.710 7.710 7.791 -0.081 18869 3192 1 9 . 1 1 88 88 ILE N N 88 122.587 122.587 120.410 2.177 18869 3193 1 9 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.745 -0.269 18869 3194 1 9 . 1 1 88 88 ILE C C 88 175.990 175.990 177.745 -1.755 18869 3195 1 9 . 1 1 88 88 ILE CA C 88 67.511 67.511 64.796 2.715 18869 3196 1 9 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.566 0.392 18869 3197 1 9 . 1 1 88 88 ILE H H 88 7.471 7.471 7.527 -0.056 18869 3198 1 9 . 1 1 89 89 ARG N N 89 118.954 118.954 120.898 -1.944 18869 3199 1 9 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.304 0.065 18869 3200 1 9 . 1 1 89 89 ARG C C 89 176.834 176.834 175.442 1.392 18869 3201 1 9 . 1 1 89 89 ARG CA C 89 61.389 61.389 60.313 1.075 18869 3202 1 9 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.892 -0.994 18869 3203 1 9 . 1 1 89 89 ARG H H 89 8.983 8.983 7.677 1.306 18869 3204 1 9 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.366 0.171 18869 3205 1 9 . 1 1 90 90 PRO C C 90 178.848 178.848 178.246 0.602 18869 3206 1 9 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.533 0.437 18869 3207 1 9 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.264 -1.002 18869 3208 1 9 . 1 1 91 91 THR N N 91 118.284 118.284 116.371 1.913 18869 3209 1 9 . 1 1 91 91 THR HA H 91 4.461 4.461 4.235 0.226 18869 3210 1 9 . 1 1 91 91 THR C C 91 176.982 176.982 177.119 -0.137 18869 3211 1 9 . 1 1 91 91 THR CA C 91 67.247 67.247 67.406 -0.159 18869 3212 1 9 . 1 1 91 91 THR CB C 91 69.454 69.454 68.628 0.826 18869 3213 1 9 . 1 1 91 91 THR H H 91 7.734 7.734 7.742 -0.008 18869 3214 1 9 . 1 1 92 92 TYR N N 92 123.739 123.739 122.821 0.918 18869 3215 1 9 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.279 0.565 18869 3216 1 9 . 1 1 92 92 TYR C C 92 177.320 177.320 176.450 0.870 18869 3217 1 9 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.237 -1.429 18869 3218 1 9 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.359 0.842 18869 3219 1 9 . 1 1 92 92 TYR H H 92 8.420 8.420 8.298 0.122 18869 3220 1 9 . 1 1 93 93 ALA N N 93 120.159 120.159 118.105 2.054 18869 3221 1 9 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.276 -0.105 18869 3222 1 9 . 1 1 93 93 ALA C C 93 177.685 177.685 177.961 -0.276 18869 3223 1 9 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.088 -0.109 18869 3224 1 9 . 1 1 93 93 ALA CB C 93 18.511 18.511 18.825 -0.314 18869 3225 1 9 . 1 1 93 93 ALA H H 93 7.929 7.929 7.616 0.313 18869 3226 1 9 . 1 1 94 94 GLY N N 94 108.770 108.770 106.501 2.269 18869 3227 1 9 . 1 1 94 94 GLY C C 94 174.896 174.896 175.037 -0.141 18869 3228 1 9 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.114 0.768 18869 3229 1 9 . 1 1 94 94 GLY H H 94 8.311 8.311 7.686 0.625 18869 3230 1 9 . 1 1 95 95 SER N N 95 115.316 115.316 119.002 -3.686 18869 3231 1 9 . 1 1 95 95 SER HA H 95 4.774 4.774 4.456 0.318 18869 3232 1 9 . 1 1 95 95 SER C C 95 175.089 175.089 175.068 0.021 18869 3233 1 9 . 1 1 95 95 SER CA C 95 57.083 57.083 57.773 -0.690 18869 3234 1 9 . 1 1 95 95 SER CB C 95 62.543 62.543 62.343 0.200 18869 3235 1 9 . 1 1 95 95 SER H H 95 8.363 8.363 7.853 0.510 18869 3236 1 9 . 1 1 96 96 LYS N N 96 134.180 134.180 128.700 5.480 18869 3237 1 9 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.898 0.086 18869 3238 1 9 . 1 1 96 96 LYS C C 96 178.195 178.195 178.445 -0.250 18869 3239 1 9 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.216 0.681 18869 3240 1 9 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.392 1.555 18869 3241 1 9 . 1 1 96 96 LYS H H 96 9.099 9.099 8.182 0.917 18869 3242 1 9 . 1 1 97 97 SER N N 97 113.650 113.650 116.184 -2.534 18869 3243 1 9 . 1 1 97 97 SER HA H 97 4.230 4.230 4.405 -0.175 18869 3244 1 9 . 1 1 97 97 SER C C 97 177.304 177.304 176.649 0.655 18869 3245 1 9 . 1 1 97 97 SER CA C 97 61.152 61.152 62.241 -1.089 18869 3246 1 9 . 1 1 97 97 SER CB C 97 62.101 62.101 62.764 -0.663 18869 3247 1 9 . 1 1 97 97 SER H H 97 8.383 8.383 8.436 -0.053 18869 3248 1 9 . 1 1 98 98 ALA N N 98 126.790 126.790 124.925 1.865 18869 3249 1 9 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.128 -0.101 18869 3250 1 9 . 1 1 98 98 ALA C C 98 178.317 178.317 179.321 -1.004 18869 3251 1 9 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.600 0.707 18869 3252 1 9 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.512 1.246 18869 3253 1 9 . 1 1 98 98 ALA H H 98 7.771 7.771 7.550 0.221 18869 3254 1 9 . 1 1 99 99 MET N N 99 119.910 119.910 119.742 0.168 18869 3255 1 9 . 1 1 99 99 MET HA H 99 3.944 3.944 4.171 -0.227 18869 3256 1 9 . 1 1 99 99 MET C C 99 178.584 178.584 178.244 0.340 18869 3257 1 9 . 1 1 99 99 MET CA C 99 59.584 59.584 58.071 1.513 18869 3258 1 9 . 1 1 99 99 MET H H 99 7.856 7.856 7.636 0.220 18869 3259 1 9 . 1 1 100 100 GLU N N 100 118.105 118.105 118.974 -0.869 18869 3260 1 9 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.952 0.031 18869 3261 1 9 . 1 1 100 100 GLU C C 100 180.292 180.292 179.092 1.200 18869 3262 1 9 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.523 -0.090 18869 3263 1 9 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.268 -0.020 18869 3264 1 9 . 1 1 100 100 GLU H H 100 8.255 8.255 8.319 -0.064 18869 3265 1 9 . 1 1 101 101 ARG N N 101 120.780 120.780 119.716 1.064 18869 3266 1 9 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.205 -0.172 18869 3267 1 9 . 1 1 101 101 ARG C C 101 180.619 180.619 178.743 1.876 18869 3268 1 9 . 1 1 101 101 ARG CA C 101 60.797 60.797 57.965 2.832 18869 3269 1 9 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.823 0.982 18869 3270 1 9 . 1 1 101 101 ARG H H 101 7.973 7.973 7.640 0.333 18869 3271 1 9 . 1 1 102 102 LEU N N 102 125.866 125.866 121.705 4.161 18869 3272 1 9 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.122 0.021 18869 3273 1 9 . 1 1 102 102 LEU C C 102 178.209 178.209 178.172 0.037 18869 3274 1 9 . 1 1 102 102 LEU CA C 102 59.192 59.192 58.130 1.062 18869 3275 1 9 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.917 -0.097 18869 3276 1 9 . 1 1 102 102 LEU H H 102 8.781 8.781 8.202 0.579 18869 3277 1 9 . 1 1 103 103 LYS N N 103 118.426 118.426 118.413 0.013 18869 3278 1 9 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.934 -0.086 18869 3279 1 9 . 1 1 103 103 LYS C C 103 179.666 179.666 178.932 0.734 18869 3280 1 9 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.083 0.517 18869 3281 1 9 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.116 0.615 18869 3282 1 9 . 1 1 103 103 LYS H H 103 8.573 8.573 8.059 0.514 18869 3283 1 9 . 1 1 104 104 ARG N N 104 117.936 117.936 120.278 -2.342 18869 3284 1 9 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.060 -0.010 18869 3285 1 9 . 1 1 104 104 ARG C C 104 179.190 179.190 178.487 0.703 18869 3286 1 9 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.356 0.180 18869 3287 1 9 . 1 1 104 104 ARG CB C 104 30.050 30.050 29.996 0.054 18869 3288 1 9 . 1 1 104 104 ARG H H 104 8.154 8.154 8.025 0.129 18869 3289 1 9 . 1 1 105 105 GLY N N 105 110.339 110.339 107.862 2.477 18869 3290 1 9 . 1 1 105 105 GLY C C 105 174.974 174.974 176.330 -1.356 18869 3291 1 9 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.152 0.554 18869 3292 1 9 . 1 1 105 105 GLY H H 105 8.265 8.265 8.038 0.227 18869 3293 1 9 . 1 1 106 106 ILE N N 106 122.669 122.669 123.404 -0.735 18869 3294 1 9 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.866 -0.145 18869 3295 1 9 . 1 1 106 106 ILE C C 106 177.749 177.749 178.267 -0.518 18869 3296 1 9 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.670 -0.559 18869 3297 1 9 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.008 -1.722 18869 3298 1 9 . 1 1 106 106 ILE H H 106 8.028 8.028 7.660 0.368 18869 3299 1 9 . 1 1 107 107 ILE N N 107 119.626 119.626 119.723 -0.097 18869 3300 1 9 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.524 0.128 18869 3301 1 9 . 1 1 107 107 ILE C C 107 179.292 179.292 178.045 1.247 18869 3302 1 9 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.892 -0.585 18869 3303 1 9 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.593 0.816 18869 3304 1 9 . 1 1 107 107 ILE H H 107 7.481 7.481 8.049 -0.568 18869 3305 1 9 . 1 1 108 108 HIS N N 108 120.644 120.644 119.384 1.260 18869 3306 1 9 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.159 0.543 18869 3307 1 9 . 1 1 108 108 HIS C C 108 177.121 177.121 177.086 0.035 18869 3308 1 9 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.459 -1.895 18869 3309 1 9 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.775 -0.331 18869 3310 1 9 . 1 1 108 108 HIS H H 108 8.396 8.396 8.303 0.093 18869 3311 1 9 . 1 1 109 109 ALA N N 109 121.460 121.460 121.950 -0.490 18869 3312 1 9 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.735 0.173 18869 3313 1 9 . 1 1 109 109 ALA C C 109 178.810 178.810 179.090 -0.280 18869 3314 1 9 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.203 0.373 18869 3315 1 9 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.149 -0.550 18869 3316 1 9 . 1 1 109 109 ALA H H 109 9.416 9.416 8.503 0.913 18869 3317 1 9 . 1 1 110 110 ARG N N 110 116.845 116.845 119.454 -2.609 18869 3318 1 9 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.056 -0.323 18869 3319 1 9 . 1 1 110 110 ARG C C 110 177.800 177.800 178.183 -0.383 18869 3320 1 9 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.851 1.580 18869 3321 1 9 . 1 1 110 110 ARG CB C 110 30.890 30.890 29.907 0.983 18869 3322 1 9 . 1 1 110 110 ARG H H 110 8.579 8.579 8.269 0.310 18869 3323 1 9 . 1 1 111 111 ALA N N 111 120.689 120.689 122.326 -1.637 18869 3324 1 9 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.111 0.049 18869 3325 1 9 . 1 1 111 111 ALA C C 111 181.315 181.315 179.917 1.398 18869 3326 1 9 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.990 0.423 18869 3327 1 9 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.078 -0.011 18869 3328 1 9 . 1 1 111 111 ALA H H 111 7.808 7.808 7.530 0.278 18869 3329 1 9 . 1 1 112 112 LEU N N 112 119.511 119.511 118.466 1.045 18869 3330 1 9 . 1 1 112 112 LEU C C 112 179.788 179.788 179.297 0.491 18869 3331 1 9 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.612 0.385 18869 3332 1 9 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.707 1.166 18869 3333 1 9 . 1 1 112 112 LEU H H 112 8.308 8.308 7.793 0.515 18869 3334 1 9 . 1 1 113 113 VAL N N 113 119.879 119.879 117.970 1.909 18869 3335 1 9 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.511 0.043 18869 3336 1 9 . 1 1 113 113 VAL C C 113 178.238 178.238 177.871 0.367 18869 3337 1 9 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.329 1.312 18869 3338 1 9 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.423 -0.047 18869 3339 1 9 . 1 1 113 113 VAL H H 113 8.502 8.502 7.764 0.738 18869 3340 1 9 . 1 1 114 114 ARG N N 114 118.928 118.928 120.165 -1.237 18869 3341 1 9 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.896 0.093 18869 3342 1 9 . 1 1 114 114 ARG C C 114 179.368 179.368 178.207 1.161 18869 3343 1 9 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.534 0.673 18869 3344 1 9 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.935 -1.363 18869 3345 1 9 . 1 1 114 114 ARG H H 114 8.335 8.335 7.973 0.362 18869 3346 1 9 . 1 1 115 115 GLU N N 115 120.444 120.444 117.364 3.080 18869 3347 1 9 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.099 0.109 18869 3348 1 9 . 1 1 115 115 GLU C C 115 178.931 178.931 179.018 -0.087 18869 3349 1 9 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.961 0.322 18869 3350 1 9 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.024 0.077 18869 3351 1 9 . 1 1 115 115 GLU H H 115 7.971 7.971 8.197 -0.226 18869 3352 1 9 . 1 1 116 116 CYS N N 116 118.789 118.789 118.616 0.173 18869 3353 1 9 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.145 -0.038 18869 3354 1 9 . 1 1 116 116 CYS C C 116 177.264 177.264 176.940 0.324 18869 3355 1 9 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.960 -0.001 18869 3356 1 9 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.711 -1.104 18869 3357 1 9 . 1 1 116 116 CYS H H 116 7.989 7.989 7.438 0.551 18869 3358 1 9 . 1 1 117 117 LEU N N 117 120.670 120.670 121.093 -0.423 18869 3359 1 9 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.735 0.213 18869 3360 1 9 . 1 1 117 117 LEU C C 117 178.291 178.291 178.934 -0.643 18869 3361 1 9 . 1 1 117 117 LEU CA C 117 57.269 57.269 58.152 -0.883 18869 3362 1 9 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.497 0.736 18869 3363 1 9 . 1 1 117 117 LEU H H 117 8.028 8.028 8.226 -0.198 18869 3364 1 9 . 1 1 118 118 ALA N N 118 122.520 122.520 120.191 2.329 18869 3365 1 9 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.966 0.238 18869 3366 1 9 . 1 1 118 118 ALA C C 118 179.805 179.805 178.359 1.446 18869 3367 1 9 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.980 -0.571 18869 3368 1 9 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.258 0.112 18869 3369 1 9 . 1 1 118 118 ALA H H 118 8.000 8.000 7.554 0.446 18869 3370 1 9 . 1 1 119 119 GLU N N 119 118.901 118.901 116.587 2.314 18869 3371 1 9 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.261 -0.077 18869 3372 1 9 . 1 1 119 119 GLU C C 119 178.082 178.082 178.917 -0.835 18869 3373 1 9 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.068 0.384 18869 3374 1 9 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.816 -0.150 18869 3375 1 9 . 1 1 119 119 GLU H H 119 8.094 8.094 7.822 0.272 18869 3376 1 9 . 1 1 120 120 THR N N 120 113.828 113.828 117.597 -3.769 18869 3377 1 9 . 1 1 120 120 THR HA H 120 4.251 4.251 4.145 0.106 18869 3378 1 9 . 1 1 120 120 THR C C 120 176.051 176.051 176.365 -0.314 18869 3379 1 9 . 1 1 120 120 THR CA C 120 64.664 64.664 65.348 -0.684 18869 3380 1 9 . 1 1 120 120 THR CB C 120 69.543 69.543 68.561 0.982 18869 3381 1 9 . 1 1 120 120 THR H H 120 7.976 7.976 8.345 -0.369 18869 3382 1 9 . 1 1 121 121 GLU N N 121 121.927 121.927 123.072 -1.145 18869 3383 1 9 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.011 0.233 18869 3384 1 9 . 1 1 121 121 GLU C C 121 177.730 177.730 177.543 0.187 18869 3385 1 9 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.683 -0.759 18869 3386 1 9 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.232 0.670 18869 3387 1 9 . 1 1 121 121 GLU H H 121 8.073 8.073 7.914 0.159 18869 3388 1 9 . 1 1 122 122 ARG N N 122 120.226 120.226 116.680 3.546 18869 3389 1 9 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.225 0.029 18869 3390 1 9 . 1 1 122 122 ARG C C 122 177.289 177.289 176.945 0.344 18869 3391 1 9 . 1 1 122 122 ARG CA C 122 57.711 57.711 55.646 2.065 18869 3392 1 9 . 1 1 122 122 ARG CB C 122 30.822 30.822 29.794 1.028 18869 3393 1 9 . 1 1 122 122 ARG H H 122 8.081 8.081 7.454 0.627 18869 3394 1 9 . 1 1 123 123 ASN N N 123 118.062 118.062 119.018 -0.956 18869 3395 1 9 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.611 0.131 18869 3396 1 9 . 1 1 123 123 ASN C C 123 175.035 175.035 175.480 -0.445 18869 3397 1 9 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.537 0.183 18869 3398 1 9 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.631 -0.589 18869 3399 1 9 . 1 1 123 123 ASN H H 123 8.229 8.229 7.527 0.702 18869 3400 1 9 . 1 1 124 124 ALA N N 124 123.469 123.469 128.693 -5.224 18869 3401 1 9 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.350 0.042 18869 3402 1 9 . 1 1 124 124 ALA C C 124 177.587 177.587 177.398 0.189 18869 3403 1 9 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.636 0.143 18869 3404 1 9 . 1 1 124 124 ALA CB C 124 19.365 19.365 17.804 1.561 18869 3405 1 9 . 1 1 124 124 ALA H H 124 7.989 7.989 8.793 -0.804 18869 3406 1 9 . 1 1 125 125 ARG N N 125 120.186 120.186 122.476 -2.290 18869 3407 1 9 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.327 0.159 18869 3408 1 9 . 1 1 125 125 ARG C C 125 175.804 175.804 176.447 -0.643 18869 3409 1 9 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.668 -0.416 18869 3410 1 9 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.900 -0.042 18869 3411 1 9 . 1 1 125 125 ARG H H 125 8.200 8.200 8.391 -0.191 18869 3412 1 10 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.715 0.022 18869 3413 1 10 . 1 1 59 59 HIS C C 59 174.845 174.845 173.949 0.896 18869 3414 1 10 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.800 0.632 18869 3415 1 10 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.709 -0.155 18869 3416 1 10 . 1 1 60 60 MET N N 60 121.666 121.666 122.250 -0.584 18869 3417 1 10 . 1 1 60 60 MET HA H 60 4.462 4.462 4.516 -0.054 18869 3418 1 10 . 1 1 60 60 MET C C 60 175.495 175.495 175.994 -0.499 18869 3419 1 10 . 1 1 60 60 MET CA C 60 55.475 55.475 54.081 1.394 18869 3420 1 10 . 1 1 60 60 MET H H 60 8.324 8.324 8.161 0.163 18869 3421 1 10 . 1 1 61 61 ALA N N 61 125.934 125.934 130.006 -4.072 18869 3422 1 10 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.429 -0.082 18869 3423 1 10 . 1 1 61 61 ALA C C 61 177.394 177.394 176.936 0.458 18869 3424 1 10 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.710 0.862 18869 3425 1 10 . 1 1 61 61 ALA CB C 61 19.475 19.475 18.382 1.093 18869 3426 1 10 . 1 1 61 61 ALA H H 61 8.438 8.438 8.708 -0.270 18869 3427 1 10 . 1 1 62 62 MET N N 62 120.125 120.125 122.329 -2.204 18869 3428 1 10 . 1 1 62 62 MET HA H 62 4.489 4.489 4.354 0.135 18869 3429 1 10 . 1 1 62 62 MET C C 62 175.850 175.850 175.873 -0.023 18869 3430 1 10 . 1 1 62 62 MET CA C 62 55.350 55.350 56.231 -0.881 18869 3431 1 10 . 1 1 62 62 MET H H 62 8.369 8.369 8.044 0.325 18869 3432 1 10 . 1 1 63 63 LYS N N 63 124.280 124.280 125.631 -1.351 18869 3433 1 10 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.697 -0.052 18869 3434 1 10 . 1 1 63 63 LYS C C 63 173.722 173.722 174.123 -0.401 18869 3435 1 10 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.085 0.157 18869 3436 1 10 . 1 1 63 63 LYS CB C 63 32.640 32.640 32.331 0.309 18869 3437 1 10 . 1 1 63 63 LYS H H 63 8.390 8.390 8.588 -0.198 18869 3438 1 10 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.688 0.055 18869 3439 1 10 . 1 1 64 64 PRO CA C 64 61.556 61.556 62.049 -0.493 18869 3440 1 10 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.592 -0.645 18869 3441 1 10 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.491 -0.028 18869 3442 1 10 . 1 1 65 65 PRO C C 65 177.677 177.677 176.720 0.957 18869 3443 1 10 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.899 0.579 18869 3444 1 10 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.481 -0.392 18869 3445 1 10 . 1 1 66 66 GLY N N 66 109.177 109.177 109.686 -0.509 18869 3446 1 10 . 1 1 66 66 GLY C C 66 173.968 173.968 173.784 0.184 18869 3447 1 10 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.336 0.912 18869 3448 1 10 . 1 1 66 66 GLY H H 66 8.501 8.501 8.554 -0.053 18869 3449 1 10 . 1 1 67 67 ALA N N 67 123.867 123.867 121.233 2.634 18869 3450 1 10 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.477 -0.089 18869 3451 1 10 . 1 1 67 67 ALA C C 67 177.984 177.984 177.561 0.423 18869 3452 1 10 . 1 1 67 67 ALA CA C 67 52.558 52.558 51.503 1.055 18869 3453 1 10 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.809 -0.417 18869 3454 1 10 . 1 1 67 67 ALA H H 67 8.224 8.224 8.319 -0.095 18869 3455 1 10 . 1 1 68 68 GLN N N 68 119.754 119.754 121.670 -1.916 18869 3456 1 10 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.232 0.157 18869 3457 1 10 . 1 1 68 68 GLN C C 68 176.666 176.666 176.661 0.005 18869 3458 1 10 . 1 1 68 68 GLN CA C 68 56.258 56.258 56.354 -0.096 18869 3459 1 10 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.082 0.429 18869 3460 1 10 . 1 1 68 68 GLN H H 68 8.540 8.540 8.617 -0.077 18869 3461 1 10 . 1 1 69 69 GLY N N 69 110.258 110.258 114.522 -4.264 18869 3462 1 10 . 1 1 69 69 GLY C C 69 174.333 174.333 174.371 -0.038 18869 3463 1 10 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.690 0.826 18869 3464 1 10 . 1 1 69 69 GLY H H 69 8.516 8.516 8.925 -0.409 18869 3465 1 10 . 1 1 70 70 SER N N 70 116.141 116.141 117.078 -0.937 18869 3466 1 10 . 1 1 70 70 SER HA H 70 4.504 4.504 4.688 -0.184 18869 3467 1 10 . 1 1 70 70 SER C C 70 174.792 174.792 175.123 -0.331 18869 3468 1 10 . 1 1 70 70 SER CA C 70 58.792 58.792 57.541 1.251 18869 3469 1 10 . 1 1 70 70 SER CB C 70 64.011 64.011 64.349 -0.338 18869 3470 1 10 . 1 1 70 70 SER H H 70 8.387 8.387 7.956 0.431 18869 3471 1 10 . 1 1 71 71 GLN N N 71 122.245 122.245 121.004 1.241 18869 3472 1 10 . 1 1 71 71 GLN HA H 71 4.404 4.404 3.891 0.513 18869 3473 1 10 . 1 1 71 71 GLN C C 71 176.805 176.805 174.945 1.860 18869 3474 1 10 . 1 1 71 71 GLN CA C 71 57.233 57.233 57.002 0.231 18869 3475 1 10 . 1 1 71 71 GLN CB C 71 29.111 29.111 27.029 2.082 18869 3476 1 10 . 1 1 71 71 GLN H H 71 8.639 8.639 9.003 -0.364 18869 3477 1 10 . 1 1 72 72 SER N N 72 116.778 116.778 113.374 3.404 18869 3478 1 10 . 1 1 72 72 SER HA H 72 4.536 4.536 4.285 0.251 18869 3479 1 10 . 1 1 72 72 SER C C 72 175.305 175.305 176.552 -1.247 18869 3480 1 10 . 1 1 72 72 SER CA C 72 59.356 59.356 61.472 -2.116 18869 3481 1 10 . 1 1 72 72 SER CB C 72 63.977 63.977 62.958 1.020 18869 3482 1 10 . 1 1 72 72 SER H H 72 8.516 8.516 8.507 0.009 18869 3483 1 10 . 1 1 73 73 THR N N 73 119.063 119.063 117.553 1.510 18869 3484 1 10 . 1 1 73 73 THR HA H 73 4.045 4.045 4.460 -0.415 18869 3485 1 10 . 1 1 73 73 THR C C 73 176.016 176.016 176.376 -0.360 18869 3486 1 10 . 1 1 73 73 THR CA C 73 65.705 65.705 64.023 1.682 18869 3487 1 10 . 1 1 73 73 THR CB C 73 68.743 68.743 68.868 -0.125 18869 3488 1 10 . 1 1 73 73 THR H H 73 8.305 8.305 8.333 -0.028 18869 3489 1 10 . 1 1 74 74 TYR N N 74 118.707 118.707 121.882 -3.175 18869 3490 1 10 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.378 -0.104 18869 3491 1 10 . 1 1 74 74 TYR C C 74 177.613 177.613 177.644 -0.031 18869 3492 1 10 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.999 0.105 18869 3493 1 10 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.730 -0.613 18869 3494 1 10 . 1 1 74 74 TYR H H 74 7.905 7.905 8.204 -0.299 18869 3495 1 10 . 1 1 75 75 THR N N 75 114.583 114.583 115.585 -1.002 18869 3496 1 10 . 1 1 75 75 THR HA H 75 3.992 3.992 4.022 -0.030 18869 3497 1 10 . 1 1 75 75 THR C C 75 177.381 177.381 176.289 1.092 18869 3498 1 10 . 1 1 75 75 THR CA C 75 66.363 66.363 66.546 -0.183 18869 3499 1 10 . 1 1 75 75 THR CB C 75 68.324 68.324 68.061 0.263 18869 3500 1 10 . 1 1 75 75 THR H H 75 8.027 8.027 7.865 0.162 18869 3501 1 10 . 1 1 76 76 ASP N N 76 124.495 124.495 122.148 2.347 18869 3502 1 10 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.368 0.129 18869 3503 1 10 . 1 1 76 76 ASP C C 76 178.510 178.510 178.134 0.376 18869 3504 1 10 . 1 1 76 76 ASP CA C 76 57.287 57.287 58.089 -0.802 18869 3505 1 10 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.325 -0.096 18869 3506 1 10 . 1 1 76 76 ASP H H 76 8.293 8.293 7.657 0.636 18869 3507 1 10 . 1 1 77 77 LEU N N 77 121.803 121.803 120.482 1.321 18869 3508 1 10 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.887 0.116 18869 3509 1 10 . 1 1 77 77 LEU C C 77 177.976 177.976 177.792 0.184 18869 3510 1 10 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.788 0.236 18869 3511 1 10 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.569 0.353 18869 3512 1 10 . 1 1 77 77 LEU H H 77 8.301 8.301 7.119 1.182 18869 3513 1 10 . 1 1 78 78 LEU N N 78 119.070 119.070 118.702 0.368 18869 3514 1 10 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.859 0.178 18869 3515 1 10 . 1 1 78 78 LEU C C 78 179.095 179.095 178.818 0.277 18869 3516 1 10 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.854 0.792 18869 3517 1 10 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.278 0.039 18869 3518 1 10 . 1 1 78 78 LEU H H 78 8.380 8.380 7.410 0.970 18869 3519 1 10 . 1 1 79 79 SER N N 79 114.297 114.297 114.457 -0.160 18869 3520 1 10 . 1 1 79 79 SER HA H 79 4.337 4.337 4.242 0.095 18869 3521 1 10 . 1 1 79 79 SER C C 79 176.729 176.729 176.798 -0.069 18869 3522 1 10 . 1 1 79 79 SER CA C 79 62.031 62.031 61.527 0.504 18869 3523 1 10 . 1 1 79 79 SER CB C 79 62.761 62.761 62.900 -0.139 18869 3524 1 10 . 1 1 79 79 SER H H 79 7.976 7.976 7.823 0.153 18869 3525 1 10 . 1 1 80 80 VAL N N 80 122.776 122.776 122.927 -0.151 18869 3526 1 10 . 1 1 80 80 VAL HA H 80 3.861 3.861 4.010 -0.148 18869 3527 1 10 . 1 1 80 80 VAL C C 80 178.463 178.463 178.120 0.343 18869 3528 1 10 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.080 0.115 18869 3529 1 10 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.039 0.873 18869 3530 1 10 . 1 1 80 80 VAL H H 80 8.126 8.126 8.085 0.041 18869 3531 1 10 . 1 1 81 81 ILE N N 81 121.312 121.312 119.310 2.002 18869 3532 1 10 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.726 0.069 18869 3533 1 10 . 1 1 81 81 ILE C C 81 177.475 177.475 178.413 -0.938 18869 3534 1 10 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.702 1.423 18869 3535 1 10 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.090 1.640 18869 3536 1 10 . 1 1 81 81 ILE H H 81 8.236 8.236 7.659 0.577 18869 3537 1 10 . 1 1 82 82 GLU N N 82 119.637 119.637 119.937 -0.300 18869 3538 1 10 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.022 0.137 18869 3539 1 10 . 1 1 82 82 GLU C C 82 180.592 180.592 179.014 1.578 18869 3540 1 10 . 1 1 82 82 GLU CA C 82 59.178 59.178 58.934 0.244 18869 3541 1 10 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.223 0.044 18869 3542 1 10 . 1 1 82 82 GLU H H 82 8.326 8.326 7.680 0.646 18869 3543 1 10 . 1 1 83 83 GLU N N 83 119.955 119.955 119.415 0.540 18869 3544 1 10 . 1 1 83 83 GLU HA H 83 4.059 4.059 3.987 0.072 18869 3545 1 10 . 1 1 83 83 GLU C C 83 179.428 179.428 179.171 0.257 18869 3546 1 10 . 1 1 83 83 GLU CA C 83 59.590 59.590 59.178 0.412 18869 3547 1 10 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.658 -0.387 18869 3548 1 10 . 1 1 83 83 GLU H H 83 8.383 8.383 7.997 0.386 18869 3549 1 10 . 1 1 84 84 MET N N 84 118.367 118.367 117.986 0.381 18869 3550 1 10 . 1 1 84 84 MET HA H 84 4.066 4.066 4.123 -0.057 18869 3551 1 10 . 1 1 84 84 MET C C 84 179.303 179.303 178.495 0.808 18869 3552 1 10 . 1 1 84 84 MET CA C 84 60.047 60.047 59.107 0.940 18869 3553 1 10 . 1 1 84 84 MET CB C 84 34.431 34.431 32.718 1.714 18869 3554 1 10 . 1 1 84 84 MET H H 84 8.335 8.335 8.049 0.286 18869 3555 1 10 . 1 1 85 85 GLY N N 85 104.067 104.067 105.016 -0.949 18869 3556 1 10 . 1 1 85 85 GLY C C 85 176.612 176.612 175.059 1.553 18869 3557 1 10 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.703 0.840 18869 3558 1 10 . 1 1 85 85 GLY H H 85 8.219 8.219 8.018 0.201 18869 3559 1 10 . 1 1 86 86 LYS N N 86 119.651 119.651 118.708 0.943 18869 3560 1 10 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.395 -0.122 18869 3561 1 10 . 1 1 86 86 LYS C C 86 177.390 177.390 177.395 -0.005 18869 3562 1 10 . 1 1 86 86 LYS CA C 86 58.481 58.481 57.879 0.602 18869 3563 1 10 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.593 0.001 18869 3564 1 10 . 1 1 86 86 LYS H H 86 7.585 7.585 7.352 0.233 18869 3565 1 10 . 1 1 87 87 GLU N N 87 114.250 114.250 117.278 -3.028 18869 3566 1 10 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.315 0.870 18869 3567 1 10 . 1 1 87 87 GLU C C 87 179.381 179.381 178.383 0.998 18869 3568 1 10 . 1 1 87 87 GLU CA C 87 54.803 54.803 56.948 -2.145 18869 3569 1 10 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.886 -0.254 18869 3570 1 10 . 1 1 87 87 GLU H H 87 7.710 7.710 7.612 0.098 18869 3571 1 10 . 1 1 88 88 ILE N N 88 122.587 122.587 120.572 2.015 18869 3572 1 10 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.694 -0.218 18869 3573 1 10 . 1 1 88 88 ILE C C 88 175.990 175.990 177.695 -1.705 18869 3574 1 10 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.590 1.921 18869 3575 1 10 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.469 0.489 18869 3576 1 10 . 1 1 88 88 ILE H H 88 7.471 7.471 7.478 -0.007 18869 3577 1 10 . 1 1 89 89 ARG N N 89 118.954 118.954 120.196 -1.242 18869 3578 1 10 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.243 0.126 18869 3579 1 10 . 1 1 89 89 ARG C C 89 176.834 176.834 175.388 1.446 18869 3580 1 10 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.475 -0.086 18869 3581 1 10 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.297 -1.399 18869 3582 1 10 . 1 1 89 89 ARG H H 89 8.983 8.983 8.552 0.431 18869 3583 1 10 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.287 0.250 18869 3584 1 10 . 1 1 90 90 PRO C C 90 178.848 178.848 178.808 0.040 18869 3585 1 10 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.796 0.174 18869 3586 1 10 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.236 -0.975 18869 3587 1 10 . 1 1 91 91 THR N N 91 118.284 118.284 116.347 1.937 18869 3588 1 10 . 1 1 91 91 THR HA H 91 4.461 4.461 4.232 0.229 18869 3589 1 10 . 1 1 91 91 THR C C 91 176.982 176.982 177.328 -0.346 18869 3590 1 10 . 1 1 91 91 THR CA C 91 67.247 67.247 66.982 0.265 18869 3591 1 10 . 1 1 91 91 THR CB C 91 69.454 69.454 68.810 0.644 18869 3592 1 10 . 1 1 91 91 THR H H 91 7.734 7.734 8.017 -0.283 18869 3593 1 10 . 1 1 92 92 TYR N N 92 123.739 123.739 123.161 0.578 18869 3594 1 10 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.225 0.619 18869 3595 1 10 . 1 1 92 92 TYR C C 92 177.320 177.320 175.999 1.321 18869 3596 1 10 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.605 -1.797 18869 3597 1 10 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.436 0.765 18869 3598 1 10 . 1 1 92 92 TYR H H 92 8.420 8.420 8.125 0.295 18869 3599 1 10 . 1 1 93 93 ALA N N 93 120.159 120.159 117.604 2.555 18869 3600 1 10 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.248 -0.077 18869 3601 1 10 . 1 1 93 93 ALA C C 93 177.685 177.685 177.919 -0.234 18869 3602 1 10 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.260 -0.281 18869 3603 1 10 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.218 -0.707 18869 3604 1 10 . 1 1 93 93 ALA H H 93 7.929 7.929 7.711 0.218 18869 3605 1 10 . 1 1 94 94 GLY N N 94 108.770 108.770 106.149 2.621 18869 3606 1 10 . 1 1 94 94 GLY C C 94 174.896 174.896 174.898 -0.002 18869 3607 1 10 . 1 1 94 94 GLY CA C 94 45.882 45.882 44.777 1.105 18869 3608 1 10 . 1 1 94 94 GLY H H 94 8.311 8.311 7.644 0.667 18869 3609 1 10 . 1 1 95 95 SER N N 95 115.316 115.316 119.631 -4.315 18869 3610 1 10 . 1 1 95 95 SER HA H 95 4.774 4.774 4.504 0.270 18869 3611 1 10 . 1 1 95 95 SER C C 95 175.089 175.089 175.039 0.050 18869 3612 1 10 . 1 1 95 95 SER CA C 95 57.083 57.083 57.995 -0.912 18869 3613 1 10 . 1 1 95 95 SER CB C 95 62.543 62.543 62.228 0.315 18869 3614 1 10 . 1 1 95 95 SER H H 95 8.363 8.363 8.201 0.162 18869 3615 1 10 . 1 1 96 96 LYS N N 96 134.180 134.180 126.225 7.955 18869 3616 1 10 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.968 0.016 18869 3617 1 10 . 1 1 96 96 LYS C C 96 178.195 178.195 177.932 0.263 18869 3618 1 10 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.722 0.175 18869 3619 1 10 . 1 1 96 96 LYS CB C 96 32.947 32.947 32.043 0.904 18869 3620 1 10 . 1 1 96 96 LYS H H 96 9.099 9.099 7.868 1.231 18869 3621 1 10 . 1 1 97 97 SER N N 97 113.650 113.650 117.735 -4.085 18869 3622 1 10 . 1 1 97 97 SER HA H 97 4.230 4.230 4.213 0.017 18869 3623 1 10 . 1 1 97 97 SER C C 97 177.304 177.304 176.377 0.927 18869 3624 1 10 . 1 1 97 97 SER CA C 97 61.152 61.152 61.235 -0.083 18869 3625 1 10 . 1 1 97 97 SER CB C 97 62.101 62.101 62.234 -0.133 18869 3626 1 10 . 1 1 97 97 SER H H 97 8.383 8.383 8.336 0.047 18869 3627 1 10 . 1 1 98 98 ALA N N 98 126.790 126.790 124.995 1.795 18869 3628 1 10 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.448 -0.421 18869 3629 1 10 . 1 1 98 98 ALA C C 98 178.317 178.317 179.994 -1.677 18869 3630 1 10 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.784 0.523 18869 3631 1 10 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.476 1.282 18869 3632 1 10 . 1 1 98 98 ALA H H 98 7.771 7.771 8.222 -0.451 18869 3633 1 10 . 1 1 99 99 MET N N 99 119.910 119.910 119.953 -0.043 18869 3634 1 10 . 1 1 99 99 MET HA H 99 3.944 3.944 4.183 -0.239 18869 3635 1 10 . 1 1 99 99 MET C C 99 178.584 178.584 178.124 0.460 18869 3636 1 10 . 1 1 99 99 MET CA C 99 59.584 59.584 58.078 1.506 18869 3637 1 10 . 1 1 99 99 MET H H 99 7.856 7.856 7.925 -0.069 18869 3638 1 10 . 1 1 100 100 GLU N N 100 118.105 118.105 119.424 -1.319 18869 3639 1 10 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.980 0.003 18869 3640 1 10 . 1 1 100 100 GLU C C 100 180.292 180.292 178.974 1.318 18869 3641 1 10 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.652 -0.218 18869 3642 1 10 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.457 -0.209 18869 3643 1 10 . 1 1 100 100 GLU H H 100 8.255 8.255 8.238 0.017 18869 3644 1 10 . 1 1 101 101 ARG N N 101 120.780 120.780 119.125 1.655 18869 3645 1 10 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.107 -0.074 18869 3646 1 10 . 1 1 101 101 ARG C C 101 180.619 180.619 179.200 1.419 18869 3647 1 10 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.943 1.854 18869 3648 1 10 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.198 0.607 18869 3649 1 10 . 1 1 101 101 ARG H H 101 7.973 7.973 7.648 0.325 18869 3650 1 10 . 1 1 102 102 LEU N N 102 125.866 125.866 122.013 3.853 18869 3651 1 10 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.132 0.011 18869 3652 1 10 . 1 1 102 102 LEU C C 102 178.209 178.209 177.967 0.242 18869 3653 1 10 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.738 1.454 18869 3654 1 10 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.814 0.006 18869 3655 1 10 . 1 1 102 102 LEU H H 102 8.781 8.781 8.221 0.560 18869 3656 1 10 . 1 1 103 103 LYS N N 103 118.426 118.426 118.729 -0.303 18869 3657 1 10 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.932 -0.084 18869 3658 1 10 . 1 1 103 103 LYS C C 103 179.666 179.666 178.978 0.688 18869 3659 1 10 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.224 0.376 18869 3660 1 10 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.154 0.577 18869 3661 1 10 . 1 1 103 103 LYS H H 103 8.573 8.573 8.214 0.359 18869 3662 1 10 . 1 1 104 104 ARG N N 104 117.936 117.936 119.930 -1.994 18869 3663 1 10 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.109 -0.059 18869 3664 1 10 . 1 1 104 104 ARG C C 104 179.190 179.190 178.590 0.600 18869 3665 1 10 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.043 0.493 18869 3666 1 10 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.037 0.013 18869 3667 1 10 . 1 1 104 104 ARG H H 104 8.154 8.154 8.225 -0.071 18869 3668 1 10 . 1 1 105 105 GLY N N 105 110.339 110.339 108.403 1.936 18869 3669 1 10 . 1 1 105 105 GLY C C 105 174.974 174.974 176.121 -1.147 18869 3670 1 10 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.112 0.594 18869 3671 1 10 . 1 1 105 105 GLY H H 105 8.265 8.265 7.870 0.395 18869 3672 1 10 . 1 1 106 106 ILE N N 106 122.669 122.669 123.577 -0.908 18869 3673 1 10 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.832 -0.111 18869 3674 1 10 . 1 1 106 106 ILE C C 106 177.749 177.749 178.233 -0.484 18869 3675 1 10 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.818 -0.707 18869 3676 1 10 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.006 -1.720 18869 3677 1 10 . 1 1 106 106 ILE H H 106 8.028 8.028 7.509 0.519 18869 3678 1 10 . 1 1 107 107 ILE N N 107 119.626 119.626 119.386 0.240 18869 3679 1 10 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.493 0.159 18869 3680 1 10 . 1 1 107 107 ILE C C 107 179.292 179.292 178.038 1.254 18869 3681 1 10 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.869 -0.562 18869 3682 1 10 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.502 0.907 18869 3683 1 10 . 1 1 107 107 ILE H H 107 7.481 7.481 8.049 -0.568 18869 3684 1 10 . 1 1 108 108 HIS N N 108 120.644 120.644 119.288 1.356 18869 3685 1 10 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.206 0.496 18869 3686 1 10 . 1 1 108 108 HIS C C 108 177.121 177.121 177.133 -0.012 18869 3687 1 10 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.412 -1.848 18869 3688 1 10 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.672 -0.228 18869 3689 1 10 . 1 1 108 108 HIS H H 108 8.396 8.396 8.132 0.264 18869 3690 1 10 . 1 1 109 109 ALA N N 109 121.460 121.460 121.639 -0.179 18869 3691 1 10 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.728 0.180 18869 3692 1 10 . 1 1 109 109 ALA C C 109 178.810 178.810 179.131 -0.321 18869 3693 1 10 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.328 0.247 18869 3694 1 10 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.256 -0.657 18869 3695 1 10 . 1 1 109 109 ALA H H 109 9.416 9.416 8.407 1.009 18869 3696 1 10 . 1 1 110 110 ARG N N 110 116.845 116.845 119.439 -2.594 18869 3697 1 10 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.035 -0.302 18869 3698 1 10 . 1 1 110 110 ARG C C 110 177.800 177.800 178.401 -0.601 18869 3699 1 10 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.358 2.073 18869 3700 1 10 . 1 1 110 110 ARG CB C 110 30.890 30.890 29.803 1.087 18869 3701 1 10 . 1 1 110 110 ARG H H 110 8.579 8.579 8.355 0.224 18869 3702 1 10 . 1 1 111 111 ALA N N 111 120.689 120.689 122.012 -1.323 18869 3703 1 10 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.188 -0.028 18869 3704 1 10 . 1 1 111 111 ALA C C 111 181.315 181.315 179.773 1.542 18869 3705 1 10 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.766 0.647 18869 3706 1 10 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.204 -0.138 18869 3707 1 10 . 1 1 111 111 ALA H H 111 7.808 7.808 7.514 0.294 18869 3708 1 10 . 1 1 112 112 LEU N N 112 119.511 119.511 119.578 -0.067 18869 3709 1 10 . 1 1 112 112 LEU C C 112 179.788 179.788 179.427 0.361 18869 3710 1 10 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.583 0.415 18869 3711 1 10 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.752 1.121 18869 3712 1 10 . 1 1 112 112 LEU H H 112 8.308 8.308 7.706 0.602 18869 3713 1 10 . 1 1 113 113 VAL N N 113 119.879 119.879 116.887 2.992 18869 3714 1 10 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.548 0.006 18869 3715 1 10 . 1 1 113 113 VAL C C 113 178.238 178.238 177.804 0.434 18869 3716 1 10 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.968 0.673 18869 3717 1 10 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.293 0.083 18869 3718 1 10 . 1 1 113 113 VAL H H 113 8.502 8.502 8.249 0.253 18869 3719 1 10 . 1 1 114 114 ARG N N 114 118.928 118.928 120.108 -1.180 18869 3720 1 10 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.952 0.037 18869 3721 1 10 . 1 1 114 114 ARG C C 114 179.368 179.368 178.639 0.729 18869 3722 1 10 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.702 0.505 18869 3723 1 10 . 1 1 114 114 ARG CB C 114 28.572 28.572 30.075 -1.503 18869 3724 1 10 . 1 1 114 114 ARG H H 114 8.335 8.335 7.627 0.708 18869 3725 1 10 . 1 1 115 115 GLU N N 115 120.444 120.444 118.237 2.207 18869 3726 1 10 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.164 0.044 18869 3727 1 10 . 1 1 115 115 GLU C C 115 178.931 178.931 178.836 0.095 18869 3728 1 10 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.844 0.439 18869 3729 1 10 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.557 -0.456 18869 3730 1 10 . 1 1 115 115 GLU H H 115 7.971 7.971 8.049 -0.078 18869 3731 1 10 . 1 1 116 116 CYS N N 116 118.789 118.789 118.185 0.604 18869 3732 1 10 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.388 -0.281 18869 3733 1 10 . 1 1 116 116 CYS C C 116 177.264 177.264 176.335 0.929 18869 3734 1 10 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.191 0.767 18869 3735 1 10 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.281 -0.674 18869 3736 1 10 . 1 1 116 116 CYS H H 116 7.989 7.989 8.063 -0.074 18869 3737 1 10 . 1 1 117 117 LEU N N 117 120.670 120.670 120.987 -0.317 18869 3738 1 10 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.894 0.054 18869 3739 1 10 . 1 1 117 117 LEU C C 117 178.291 178.291 178.706 -0.415 18869 3740 1 10 . 1 1 117 117 LEU CA C 117 57.269 57.269 58.078 -0.809 18869 3741 1 10 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.254 0.979 18869 3742 1 10 . 1 1 117 117 LEU H H 117 8.028 8.028 8.308 -0.280 18869 3743 1 10 . 1 1 118 118 ALA N N 118 122.520 122.520 121.848 0.672 18869 3744 1 10 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.951 0.253 18869 3745 1 10 . 1 1 118 118 ALA C C 118 179.805 179.805 179.107 0.698 18869 3746 1 10 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.592 -1.183 18869 3747 1 10 . 1 1 118 118 ALA CB C 118 18.370 18.370 17.949 0.421 18869 3748 1 10 . 1 1 118 118 ALA H H 118 8.000 8.000 7.763 0.237 18869 3749 1 10 . 1 1 119 119 GLU N N 119 118.901 118.901 116.312 2.589 18869 3750 1 10 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.071 0.113 18869 3751 1 10 . 1 1 119 119 GLU C C 119 178.082 178.082 178.527 -0.445 18869 3752 1 10 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.730 -0.278 18869 3753 1 10 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.015 0.651 18869 3754 1 10 . 1 1 119 119 GLU H H 119 8.094 8.094 8.195 -0.101 18869 3755 1 10 . 1 1 120 120 THR N N 120 113.828 113.828 115.746 -1.918 18869 3756 1 10 . 1 1 120 120 THR HA H 120 4.251 4.251 4.026 0.225 18869 3757 1 10 . 1 1 120 120 THR C C 120 176.051 176.051 175.654 0.397 18869 3758 1 10 . 1 1 120 120 THR CA C 120 64.664 64.664 66.357 -1.693 18869 3759 1 10 . 1 1 120 120 THR CB C 120 69.543 69.543 68.538 1.005 18869 3760 1 10 . 1 1 120 120 THR H H 120 7.976 7.976 8.145 -0.169 18869 3761 1 10 . 1 1 121 121 GLU N N 121 121.927 121.927 119.929 1.998 18869 3762 1 10 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.081 0.163 18869 3763 1 10 . 1 1 121 121 GLU C C 121 177.730 177.730 177.805 -0.075 18869 3764 1 10 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.184 -0.260 18869 3765 1 10 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.692 0.210 18869 3766 1 10 . 1 1 121 121 GLU H H 121 8.073 8.073 7.823 0.250 18869 3767 1 10 . 1 1 122 122 ARG N N 122 120.226 120.226 116.401 3.825 18869 3768 1 10 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.197 0.057 18869 3769 1 10 . 1 1 122 122 ARG C C 122 177.289 177.289 176.719 0.570 18869 3770 1 10 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.383 0.328 18869 3771 1 10 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.473 0.349 18869 3772 1 10 . 1 1 122 122 ARG H H 122 8.081 8.081 7.383 0.698 18869 3773 1 10 . 1 1 123 123 ASN N N 123 118.062 118.062 118.308 -0.246 18869 3774 1 10 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.736 0.006 18869 3775 1 10 . 1 1 123 123 ASN C C 123 175.035 175.035 175.042 -0.007 18869 3776 1 10 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.953 0.767 18869 3777 1 10 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.426 0.616 18869 3778 1 10 . 1 1 123 123 ASN H H 123 8.229 8.229 7.494 0.735 18869 3779 1 10 . 1 1 124 124 ALA N N 124 123.469 123.469 126.286 -2.817 18869 3780 1 10 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.420 -0.028 18869 3781 1 10 . 1 1 124 124 ALA C C 124 177.587 177.587 178.124 -0.537 18869 3782 1 10 . 1 1 124 124 ALA CA C 124 52.779 52.779 53.228 -0.450 18869 3783 1 10 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.038 0.327 18869 3784 1 10 . 1 1 124 124 ALA H H 124 7.989 7.989 8.755 -0.766 18869 3785 1 10 . 1 1 125 125 ARG N N 125 120.186 120.186 118.358 1.828 18869 3786 1 10 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.243 0.243 18869 3787 1 10 . 1 1 125 125 ARG C C 125 175.804 175.804 177.021 -1.217 18869 3788 1 10 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.808 -0.556 18869 3789 1 10 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.237 0.621 18869 3790 1 10 . 1 1 125 125 ARG H H 125 8.200 8.200 8.270 -0.070 18869 3791 1 11 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.579 0.158 18869 3792 1 11 . 1 1 59 59 HIS C C 59 174.845 174.845 174.850 -0.005 18869 3793 1 11 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.985 0.447 18869 3794 1 11 . 1 1 59 59 HIS CB C 59 30.554 30.554 29.766 0.788 18869 3795 1 11 . 1 1 60 60 MET N N 60 121.666 121.666 128.034 -6.368 18869 3796 1 11 . 1 1 60 60 MET HA H 60 4.462 4.462 4.843 -0.381 18869 3797 1 11 . 1 1 60 60 MET C C 60 175.495 175.495 174.759 0.736 18869 3798 1 11 . 1 1 60 60 MET CA C 60 55.475 55.475 54.730 0.745 18869 3799 1 11 . 1 1 60 60 MET H H 60 8.324 8.324 8.283 0.041 18869 3800 1 11 . 1 1 61 61 ALA N N 61 125.934 125.934 129.606 -3.672 18869 3801 1 11 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.606 -0.259 18869 3802 1 11 . 1 1 61 61 ALA C C 61 177.394 177.394 177.416 -0.022 18869 3803 1 11 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.974 0.598 18869 3804 1 11 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.545 -0.070 18869 3805 1 11 . 1 1 61 61 ALA H H 61 8.438 8.438 8.302 0.136 18869 3806 1 11 . 1 1 62 62 MET N N 62 120.125 120.125 118.973 1.152 18869 3807 1 11 . 1 1 62 62 MET HA H 62 4.489 4.489 4.202 0.287 18869 3808 1 11 . 1 1 62 62 MET C C 62 175.850 175.850 175.516 0.334 18869 3809 1 11 . 1 1 62 62 MET CA C 62 55.350 55.350 56.141 -0.791 18869 3810 1 11 . 1 1 62 62 MET H H 62 8.369 8.369 8.483 -0.114 18869 3811 1 11 . 1 1 63 63 LYS N N 63 124.280 124.280 120.056 4.224 18869 3812 1 11 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.759 -0.114 18869 3813 1 11 . 1 1 63 63 LYS C C 63 173.722 173.722 174.167 -0.445 18869 3814 1 11 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.826 -0.584 18869 3815 1 11 . 1 1 63 63 LYS CB C 63 32.640 32.640 34.329 -1.689 18869 3816 1 11 . 1 1 63 63 LYS H H 63 8.390 8.390 7.955 0.435 18869 3817 1 11 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.817 -0.074 18869 3818 1 11 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.342 0.214 18869 3819 1 11 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.838 -0.891 18869 3820 1 11 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.390 0.073 18869 3821 1 11 . 1 1 65 65 PRO C C 65 177.677 177.677 177.101 0.576 18869 3822 1 11 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.997 0.481 18869 3823 1 11 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.864 0.225 18869 3824 1 11 . 1 1 66 66 GLY N N 66 109.177 109.177 111.215 -2.038 18869 3825 1 11 . 1 1 66 66 GLY C C 66 173.968 173.968 174.447 -0.479 18869 3826 1 11 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.516 0.732 18869 3827 1 11 . 1 1 66 66 GLY H H 66 8.501 8.501 8.590 -0.089 18869 3828 1 11 . 1 1 67 67 ALA N N 67 123.867 123.867 119.958 3.909 18869 3829 1 11 . 1 1 67 67 ALA HA H 67 4.388 4.388 3.929 0.459 18869 3830 1 11 . 1 1 67 67 ALA C C 67 177.984 177.984 177.075 0.909 18869 3831 1 11 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.976 -0.418 18869 3832 1 11 . 1 1 67 67 ALA CB C 67 19.392 19.392 17.683 1.709 18869 3833 1 11 . 1 1 67 67 ALA H H 67 8.224 8.224 8.375 -0.151 18869 3834 1 11 . 1 1 68 68 GLN N N 68 119.754 119.754 118.693 1.061 18869 3835 1 11 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.374 0.015 18869 3836 1 11 . 1 1 68 68 GLN C C 68 176.666 176.666 176.621 0.045 18869 3837 1 11 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.382 0.876 18869 3838 1 11 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.037 0.474 18869 3839 1 11 . 1 1 68 68 GLN H H 68 8.540 8.540 7.824 0.716 18869 3840 1 11 . 1 1 69 69 GLY N N 69 110.258 110.258 115.749 -5.491 18869 3841 1 11 . 1 1 69 69 GLY C C 69 174.333 174.333 174.188 0.145 18869 3842 1 11 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.804 0.712 18869 3843 1 11 . 1 1 69 69 GLY H H 69 8.516 8.516 8.535 -0.019 18869 3844 1 11 . 1 1 70 70 SER N N 70 116.141 116.141 116.657 -0.516 18869 3845 1 11 . 1 1 70 70 SER HA H 70 4.504 4.504 4.412 0.092 18869 3846 1 11 . 1 1 70 70 SER C C 70 174.792 174.792 175.954 -1.162 18869 3847 1 11 . 1 1 70 70 SER CA C 70 58.792 58.792 58.132 0.660 18869 3848 1 11 . 1 1 70 70 SER CB C 70 64.011 64.011 63.791 0.220 18869 3849 1 11 . 1 1 70 70 SER H H 70 8.387 8.387 8.198 0.189 18869 3850 1 11 . 1 1 71 71 GLN N N 71 122.245 122.245 122.990 -0.745 18869 3851 1 11 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.410 -0.006 18869 3852 1 11 . 1 1 71 71 GLN C C 71 176.805 176.805 177.175 -0.370 18869 3853 1 11 . 1 1 71 71 GLN CA C 71 57.233 57.233 57.225 0.008 18869 3854 1 11 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.499 0.612 18869 3855 1 11 . 1 1 71 71 GLN H H 71 8.639 8.639 8.804 -0.165 18869 3856 1 11 . 1 1 72 72 SER N N 72 116.778 116.778 117.506 -0.728 18869 3857 1 11 . 1 1 72 72 SER HA H 72 4.536 4.536 4.198 0.338 18869 3858 1 11 . 1 1 72 72 SER C C 72 175.305 175.305 176.408 -1.103 18869 3859 1 11 . 1 1 72 72 SER CA C 72 59.356 59.356 61.898 -2.542 18869 3860 1 11 . 1 1 72 72 SER CB C 72 63.977 63.977 62.338 1.639 18869 3861 1 11 . 1 1 72 72 SER H H 72 8.516 8.516 8.487 0.029 18869 3862 1 11 . 1 1 73 73 THR N N 73 119.063 119.063 116.589 2.474 18869 3863 1 11 . 1 1 73 73 THR HA H 73 4.045 4.045 4.044 0.001 18869 3864 1 11 . 1 1 73 73 THR C C 73 176.016 176.016 176.283 -0.267 18869 3865 1 11 . 1 1 73 73 THR CA C 73 65.705 65.705 65.482 0.223 18869 3866 1 11 . 1 1 73 73 THR CB C 73 68.743 68.743 68.924 -0.181 18869 3867 1 11 . 1 1 73 73 THR H H 73 8.305 8.305 8.209 0.096 18869 3868 1 11 . 1 1 74 74 TYR N N 74 118.707 118.707 120.124 -1.417 18869 3869 1 11 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.527 -0.253 18869 3870 1 11 . 1 1 74 74 TYR C C 74 177.613 177.613 177.823 -0.210 18869 3871 1 11 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.353 1.751 18869 3872 1 11 . 1 1 74 74 TYR CB C 74 38.117 38.117 39.175 -1.058 18869 3873 1 11 . 1 1 74 74 TYR H H 74 7.905 7.905 7.701 0.204 18869 3874 1 11 . 1 1 75 75 THR N N 75 114.583 114.583 116.773 -2.190 18869 3875 1 11 . 1 1 75 75 THR HA H 75 3.992 3.992 3.749 0.243 18869 3876 1 11 . 1 1 75 75 THR C C 75 177.381 177.381 175.855 1.526 18869 3877 1 11 . 1 1 75 75 THR CA C 75 66.363 66.363 66.521 -0.158 18869 3878 1 11 . 1 1 75 75 THR CB C 75 68.324 68.324 67.750 0.574 18869 3879 1 11 . 1 1 75 75 THR H H 75 8.027 8.027 8.159 -0.132 18869 3880 1 11 . 1 1 76 76 ASP N N 76 124.495 124.495 122.735 1.760 18869 3881 1 11 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.300 0.197 18869 3882 1 11 . 1 1 76 76 ASP C C 76 178.510 178.510 177.956 0.554 18869 3883 1 11 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.629 -0.342 18869 3884 1 11 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.898 -0.669 18869 3885 1 11 . 1 1 76 76 ASP H H 76 8.293 8.293 7.709 0.584 18869 3886 1 11 . 1 1 77 77 LEU N N 77 121.803 121.803 120.568 1.235 18869 3887 1 11 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.949 0.054 18869 3888 1 11 . 1 1 77 77 LEU C C 77 177.976 177.976 177.712 0.264 18869 3889 1 11 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.983 0.041 18869 3890 1 11 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.607 0.315 18869 3891 1 11 . 1 1 77 77 LEU H H 77 8.301 8.301 7.629 0.672 18869 3892 1 11 . 1 1 78 78 LEU N N 78 119.070 119.070 118.725 0.345 18869 3893 1 11 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.821 0.216 18869 3894 1 11 . 1 1 78 78 LEU C C 78 179.095 179.095 178.255 0.840 18869 3895 1 11 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.068 0.578 18869 3896 1 11 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.339 -0.021 18869 3897 1 11 . 1 1 78 78 LEU H H 78 8.380 8.380 7.431 0.949 18869 3898 1 11 . 1 1 79 79 SER N N 79 114.297 114.297 115.214 -0.917 18869 3899 1 11 . 1 1 79 79 SER HA H 79 4.337 4.337 4.221 0.116 18869 3900 1 11 . 1 1 79 79 SER C C 79 176.729 176.729 176.983 -0.254 18869 3901 1 11 . 1 1 79 79 SER CA C 79 62.031 62.031 61.382 0.649 18869 3902 1 11 . 1 1 79 79 SER CB C 79 62.761 62.761 62.724 0.037 18869 3903 1 11 . 1 1 79 79 SER H H 79 7.976 7.976 7.630 0.346 18869 3904 1 11 . 1 1 80 80 VAL N N 80 122.776 122.776 122.545 0.231 18869 3905 1 11 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.610 0.251 18869 3906 1 11 . 1 1 80 80 VAL C C 80 178.463 178.463 177.891 0.572 18869 3907 1 11 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.476 -0.281 18869 3908 1 11 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.519 0.393 18869 3909 1 11 . 1 1 80 80 VAL H H 80 8.126 8.126 7.971 0.155 18869 3910 1 11 . 1 1 81 81 ILE N N 81 121.312 121.312 119.531 1.781 18869 3911 1 11 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.714 0.081 18869 3912 1 11 . 1 1 81 81 ILE C C 81 177.475 177.475 178.508 -1.033 18869 3913 1 11 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.644 0.481 18869 3914 1 11 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.413 1.317 18869 3915 1 11 . 1 1 81 81 ILE H H 81 8.236 8.236 8.025 0.211 18869 3916 1 11 . 1 1 82 82 GLU N N 82 119.637 119.637 118.585 1.052 18869 3917 1 11 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.031 0.128 18869 3918 1 11 . 1 1 82 82 GLU C C 82 180.592 180.592 179.155 1.437 18869 3919 1 11 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.316 -0.138 18869 3920 1 11 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.118 0.149 18869 3921 1 11 . 1 1 82 82 GLU H H 82 8.326 8.326 8.136 0.190 18869 3922 1 11 . 1 1 83 83 GLU N N 83 119.955 119.955 119.127 0.828 18869 3923 1 11 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.127 -0.068 18869 3924 1 11 . 1 1 83 83 GLU C C 83 179.428 179.428 179.040 0.388 18869 3925 1 11 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.652 0.938 18869 3926 1 11 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.332 -0.061 18869 3927 1 11 . 1 1 83 83 GLU H H 83 8.383 8.383 8.142 0.241 18869 3928 1 11 . 1 1 84 84 MET N N 84 118.367 118.367 118.401 -0.034 18869 3929 1 11 . 1 1 84 84 MET HA H 84 4.066 4.066 4.491 -0.425 18869 3930 1 11 . 1 1 84 84 MET C C 84 179.303 179.303 178.728 0.575 18869 3931 1 11 . 1 1 84 84 MET CA C 84 60.047 60.047 58.853 1.194 18869 3932 1 11 . 1 1 84 84 MET CB C 84 34.431 34.431 32.974 1.457 18869 3933 1 11 . 1 1 84 84 MET H H 84 8.335 8.335 8.198 0.137 18869 3934 1 11 . 1 1 85 85 GLY N N 85 104.067 104.067 105.579 -1.512 18869 3935 1 11 . 1 1 85 85 GLY C C 85 176.612 176.612 175.097 1.515 18869 3936 1 11 . 1 1 85 85 GLY CA C 85 47.543 47.543 47.010 0.533 18869 3937 1 11 . 1 1 85 85 GLY H H 85 8.219 8.219 8.097 0.122 18869 3938 1 11 . 1 1 86 86 LYS N N 86 119.651 119.651 118.172 1.479 18869 3939 1 11 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.357 -0.084 18869 3940 1 11 . 1 1 86 86 LYS C C 86 177.390 177.390 178.375 -0.985 18869 3941 1 11 . 1 1 86 86 LYS CA C 86 58.481 58.481 57.958 0.523 18869 3942 1 11 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.678 -0.084 18869 3943 1 11 . 1 1 86 86 LYS H H 86 7.585 7.585 7.526 0.059 18869 3944 1 11 . 1 1 87 87 GLU N N 87 114.250 114.250 120.380 -6.130 18869 3945 1 11 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.222 0.963 18869 3946 1 11 . 1 1 87 87 GLU C C 87 179.381 179.381 178.360 1.021 18869 3947 1 11 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.890 -3.087 18869 3948 1 11 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.322 0.310 18869 3949 1 11 . 1 1 87 87 GLU H H 87 7.710 7.710 7.761 -0.051 18869 3950 1 11 . 1 1 88 88 ILE N N 88 122.587 122.587 120.276 2.311 18869 3951 1 11 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.720 -0.244 18869 3952 1 11 . 1 1 88 88 ILE C C 88 175.990 175.990 177.388 -1.398 18869 3953 1 11 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.110 2.401 18869 3954 1 11 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.551 0.407 18869 3955 1 11 . 1 1 88 88 ILE H H 88 7.471 7.471 7.742 -0.271 18869 3956 1 11 . 1 1 89 89 ARG N N 89 118.954 118.954 120.805 -1.851 18869 3957 1 11 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.269 0.100 18869 3958 1 11 . 1 1 89 89 ARG C C 89 176.834 176.834 175.534 1.300 18869 3959 1 11 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.557 -0.168 18869 3960 1 11 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.470 -1.572 18869 3961 1 11 . 1 1 89 89 ARG H H 89 8.983 8.983 7.652 1.331 18869 3962 1 11 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.326 0.211 18869 3963 1 11 . 1 1 90 90 PRO C C 90 178.848 178.848 178.471 0.377 18869 3964 1 11 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.529 0.441 18869 3965 1 11 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.125 -0.864 18869 3966 1 11 . 1 1 91 91 THR N N 91 118.284 118.284 116.250 2.034 18869 3967 1 11 . 1 1 91 91 THR HA H 91 4.461 4.461 4.256 0.205 18869 3968 1 11 . 1 1 91 91 THR C C 91 176.982 176.982 177.225 -0.243 18869 3969 1 11 . 1 1 91 91 THR CA C 91 67.247 67.247 67.309 -0.062 18869 3970 1 11 . 1 1 91 91 THR CB C 91 69.454 69.454 68.574 0.880 18869 3971 1 11 . 1 1 91 91 THR H H 91 7.734 7.734 7.826 -0.092 18869 3972 1 11 . 1 1 92 92 TYR N N 92 123.739 123.739 123.319 0.420 18869 3973 1 11 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.286 0.558 18869 3974 1 11 . 1 1 92 92 TYR C C 92 177.320 177.320 176.189 1.131 18869 3975 1 11 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.083 -1.275 18869 3976 1 11 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.230 0.971 18869 3977 1 11 . 1 1 92 92 TYR H H 92 8.420 8.420 8.341 0.079 18869 3978 1 11 . 1 1 93 93 ALA N N 93 120.159 120.159 118.202 1.957 18869 3979 1 11 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.361 -0.190 18869 3980 1 11 . 1 1 93 93 ALA C C 93 177.685 177.685 177.633 0.052 18869 3981 1 11 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.778 0.201 18869 3982 1 11 . 1 1 93 93 ALA CB C 93 18.511 18.511 18.962 -0.451 18869 3983 1 11 . 1 1 93 93 ALA H H 93 7.929 7.929 7.522 0.407 18869 3984 1 11 . 1 1 94 94 GLY N N 94 108.770 108.770 107.103 1.667 18869 3985 1 11 . 1 1 94 94 GLY C C 94 174.896 174.896 174.972 -0.076 18869 3986 1 11 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.000 0.882 18869 3987 1 11 . 1 1 94 94 GLY H H 94 8.311 8.311 7.686 0.625 18869 3988 1 11 . 1 1 95 95 SER N N 95 115.316 115.316 119.395 -4.079 18869 3989 1 11 . 1 1 95 95 SER HA H 95 4.774 4.774 4.535 0.239 18869 3990 1 11 . 1 1 95 95 SER C C 95 175.089 175.089 175.220 -0.131 18869 3991 1 11 . 1 1 95 95 SER CA C 95 57.083 57.083 58.061 -0.978 18869 3992 1 11 . 1 1 95 95 SER CB C 95 62.543 62.543 62.969 -0.426 18869 3993 1 11 . 1 1 95 95 SER H H 95 8.363 8.363 7.971 0.393 18869 3994 1 11 . 1 1 96 96 LYS N N 96 134.180 134.180 127.620 6.560 18869 3995 1 11 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.978 0.006 18869 3996 1 11 . 1 1 96 96 LYS C C 96 178.195 178.195 178.217 -0.022 18869 3997 1 11 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.440 0.457 18869 3998 1 11 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.900 1.047 18869 3999 1 11 . 1 1 96 96 LYS H H 96 9.099 9.099 8.430 0.669 18869 4000 1 11 . 1 1 97 97 SER N N 97 113.650 113.650 114.371 -0.721 18869 4001 1 11 . 1 1 97 97 SER HA H 97 4.230 4.230 4.178 0.052 18869 4002 1 11 . 1 1 97 97 SER C C 97 177.304 177.304 176.166 1.138 18869 4003 1 11 . 1 1 97 97 SER CA C 97 61.152 61.152 60.643 0.509 18869 4004 1 11 . 1 1 97 97 SER CB C 97 62.101 62.101 62.531 -0.430 18869 4005 1 11 . 1 1 97 97 SER H H 97 8.383 8.383 8.343 0.040 18869 4006 1 11 . 1 1 98 98 ALA N N 98 126.790 126.790 124.257 2.533 18869 4007 1 11 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.110 -0.083 18869 4008 1 11 . 1 1 98 98 ALA C C 98 178.317 178.317 179.282 -0.965 18869 4009 1 11 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.303 1.004 18869 4010 1 11 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.373 1.385 18869 4011 1 11 . 1 1 98 98 ALA H H 98 7.771 7.771 8.035 -0.264 18869 4012 1 11 . 1 1 99 99 MET N N 99 119.910 119.910 119.978 -0.068 18869 4013 1 11 . 1 1 99 99 MET HA H 99 3.944 3.944 4.221 -0.277 18869 4014 1 11 . 1 1 99 99 MET C C 99 178.584 178.584 178.084 0.500 18869 4015 1 11 . 1 1 99 99 MET CA C 99 59.584 59.584 58.010 1.574 18869 4016 1 11 . 1 1 99 99 MET H H 99 7.856 7.856 8.043 -0.187 18869 4017 1 11 . 1 1 100 100 GLU N N 100 118.105 118.105 119.717 -1.612 18869 4018 1 11 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.963 0.020 18869 4019 1 11 . 1 1 100 100 GLU C C 100 180.292 180.292 178.931 1.361 18869 4020 1 11 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.793 -0.359 18869 4021 1 11 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.520 -0.272 18869 4022 1 11 . 1 1 100 100 GLU H H 100 8.255 8.255 8.159 0.096 18869 4023 1 11 . 1 1 101 101 ARG N N 101 120.780 120.780 119.583 1.197 18869 4024 1 11 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.159 -0.126 18869 4025 1 11 . 1 1 101 101 ARG C C 101 180.619 180.619 178.984 1.635 18869 4026 1 11 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.044 2.753 18869 4027 1 11 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.833 0.972 18869 4028 1 11 . 1 1 101 101 ARG H H 101 7.973 7.973 7.634 0.339 18869 4029 1 11 . 1 1 102 102 LEU N N 102 125.866 125.866 121.816 4.050 18869 4030 1 11 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.153 -0.010 18869 4031 1 11 . 1 1 102 102 LEU C C 102 178.209 178.209 178.739 -0.530 18869 4032 1 11 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.732 1.460 18869 4033 1 11 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.813 0.007 18869 4034 1 11 . 1 1 102 102 LEU H H 102 8.781 8.781 8.254 0.527 18869 4035 1 11 . 1 1 103 103 LYS N N 103 118.426 118.426 118.387 0.039 18869 4036 1 11 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.920 -0.072 18869 4037 1 11 . 1 1 103 103 LYS C C 103 179.666 179.666 178.999 0.667 18869 4038 1 11 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.073 0.527 18869 4039 1 11 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.169 0.562 18869 4040 1 11 . 1 1 103 103 LYS H H 103 8.573 8.573 8.102 0.471 18869 4041 1 11 . 1 1 104 104 ARG N N 104 117.936 117.936 120.057 -2.121 18869 4042 1 11 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.059 -0.009 18869 4043 1 11 . 1 1 104 104 ARG C C 104 179.190 179.190 178.606 0.584 18869 4044 1 11 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.268 0.268 18869 4045 1 11 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.030 0.020 18869 4046 1 11 . 1 1 104 104 ARG H H 104 8.154 8.154 8.305 -0.151 18869 4047 1 11 . 1 1 105 105 GLY N N 105 110.339 110.339 107.839 2.500 18869 4048 1 11 . 1 1 105 105 GLY C C 105 174.974 174.974 176.293 -1.319 18869 4049 1 11 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.042 0.664 18869 4050 1 11 . 1 1 105 105 GLY H H 105 8.265 8.265 8.190 0.075 18869 4051 1 11 . 1 1 106 106 ILE N N 106 122.669 122.669 123.409 -0.740 18869 4052 1 11 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.886 -0.165 18869 4053 1 11 . 1 1 106 106 ILE C C 106 177.749 177.749 178.184 -0.435 18869 4054 1 11 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.699 -0.588 18869 4055 1 11 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.081 -1.795 18869 4056 1 11 . 1 1 106 106 ILE H H 106 8.028 8.028 7.660 0.368 18869 4057 1 11 . 1 1 107 107 ILE N N 107 119.626 119.626 119.753 -0.127 18869 4058 1 11 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.557 0.095 18869 4059 1 11 . 1 1 107 107 ILE C C 107 179.292 179.292 178.016 1.276 18869 4060 1 11 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.704 -0.397 18869 4061 1 11 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.517 0.891 18869 4062 1 11 . 1 1 107 107 ILE H H 107 7.481 7.481 7.905 -0.424 18869 4063 1 11 . 1 1 108 108 HIS N N 108 120.644 120.644 119.449 1.195 18869 4064 1 11 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.130 0.572 18869 4065 1 11 . 1 1 108 108 HIS C C 108 177.121 177.121 177.182 -0.061 18869 4066 1 11 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.529 -1.965 18869 4067 1 11 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.729 -0.284 18869 4068 1 11 . 1 1 108 108 HIS H H 108 8.396 8.396 8.117 0.279 18869 4069 1 11 . 1 1 109 109 ALA N N 109 121.460 121.460 121.910 -0.450 18869 4070 1 11 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.834 0.074 18869 4071 1 11 . 1 1 109 109 ALA C C 109 178.810 178.810 179.177 -0.367 18869 4072 1 11 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.292 0.283 18869 4073 1 11 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.229 -0.630 18869 4074 1 11 . 1 1 109 109 ALA H H 109 9.416 9.416 8.355 1.061 18869 4075 1 11 . 1 1 110 110 ARG N N 110 116.845 116.845 119.272 -2.427 18869 4076 1 11 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.118 -0.385 18869 4077 1 11 . 1 1 110 110 ARG C C 110 177.800 177.800 178.364 -0.564 18869 4078 1 11 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.600 1.831 18869 4079 1 11 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.070 0.820 18869 4080 1 11 . 1 1 110 110 ARG H H 110 8.579 8.579 8.308 0.271 18869 4081 1 11 . 1 1 111 111 ALA N N 111 120.689 120.689 122.471 -1.782 18869 4082 1 11 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.135 0.025 18869 4083 1 11 . 1 1 111 111 ALA C C 111 181.315 181.315 179.883 1.432 18869 4084 1 11 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.880 0.533 18869 4085 1 11 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.128 -0.062 18869 4086 1 11 . 1 1 111 111 ALA H H 111 7.808 7.808 7.489 0.319 18869 4087 1 11 . 1 1 112 112 LEU N N 112 119.511 119.511 119.876 -0.365 18869 4088 1 11 . 1 1 112 112 LEU C C 112 179.788 179.788 179.418 0.370 18869 4089 1 11 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.746 0.251 18869 4090 1 11 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.934 0.939 18869 4091 1 11 . 1 1 112 112 LEU H H 112 8.308 8.308 7.715 0.593 18869 4092 1 11 . 1 1 113 113 VAL N N 113 119.879 119.879 117.809 2.070 18869 4093 1 11 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.578 -0.024 18869 4094 1 11 . 1 1 113 113 VAL C C 113 178.238 178.238 178.057 0.181 18869 4095 1 11 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.450 1.191 18869 4096 1 11 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.505 -0.129 18869 4097 1 11 . 1 1 113 113 VAL H H 113 8.502 8.502 8.333 0.169 18869 4098 1 11 . 1 1 114 114 ARG N N 114 118.928 118.928 120.037 -1.109 18869 4099 1 11 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.987 0.002 18869 4100 1 11 . 1 1 114 114 ARG C C 114 179.368 179.368 178.198 1.170 18869 4101 1 11 . 1 1 114 114 ARG CA C 114 60.207 60.207 58.971 1.236 18869 4102 1 11 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.554 -0.982 18869 4103 1 11 . 1 1 114 114 ARG H H 114 8.335 8.335 7.954 0.381 18869 4104 1 11 . 1 1 115 115 GLU N N 115 120.444 120.444 118.757 1.687 18869 4105 1 11 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.135 0.073 18869 4106 1 11 . 1 1 115 115 GLU C C 115 178.931 178.931 179.195 -0.264 18869 4107 1 11 . 1 1 115 115 GLU CA C 115 59.283 59.283 59.010 0.273 18869 4108 1 11 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.438 -0.337 18869 4109 1 11 . 1 1 115 115 GLU H H 115 7.971 7.971 7.947 0.024 18869 4110 1 11 . 1 1 116 116 CYS N N 116 118.789 118.789 117.694 1.095 18869 4111 1 11 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.214 -0.107 18869 4112 1 11 . 1 1 116 116 CYS C C 116 177.264 177.264 176.479 0.785 18869 4113 1 11 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.688 0.271 18869 4114 1 11 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.400 -0.793 18869 4115 1 11 . 1 1 116 116 CYS H H 116 7.989 7.989 8.240 -0.251 18869 4116 1 11 . 1 1 117 117 LEU N N 117 120.670 120.670 121.873 -1.203 18869 4117 1 11 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.868 0.080 18869 4118 1 11 . 1 1 117 117 LEU C C 117 178.291 178.291 178.563 -0.272 18869 4119 1 11 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.946 -0.677 18869 4120 1 11 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.605 0.628 18869 4121 1 11 . 1 1 117 117 LEU H H 117 8.028 8.028 8.229 -0.201 18869 4122 1 11 . 1 1 118 118 ALA N N 118 122.520 122.520 121.133 1.387 18869 4123 1 11 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.908 0.296 18869 4124 1 11 . 1 1 118 118 ALA C C 118 179.805 179.805 179.083 0.722 18869 4125 1 11 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.632 -1.223 18869 4126 1 11 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.041 0.329 18869 4127 1 11 . 1 1 118 118 ALA H H 118 8.000 8.000 7.691 0.309 18869 4128 1 11 . 1 1 119 119 GLU N N 119 118.901 118.901 116.211 2.690 18869 4129 1 11 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.116 0.068 18869 4130 1 11 . 1 1 119 119 GLU C C 119 178.082 178.082 178.808 -0.726 18869 4131 1 11 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.785 -0.333 18869 4132 1 11 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.184 0.482 18869 4133 1 11 . 1 1 119 119 GLU H H 119 8.094 8.094 7.707 0.387 18869 4134 1 11 . 1 1 120 120 THR N N 120 113.828 113.828 116.515 -2.687 18869 4135 1 11 . 1 1 120 120 THR HA H 120 4.251 4.251 3.905 0.346 18869 4136 1 11 . 1 1 120 120 THR C C 120 176.051 176.051 175.844 0.207 18869 4137 1 11 . 1 1 120 120 THR CA C 120 64.664 64.664 66.515 -1.851 18869 4138 1 11 . 1 1 120 120 THR CB C 120 69.543 69.543 68.326 1.217 18869 4139 1 11 . 1 1 120 120 THR H H 120 7.976 7.976 8.188 -0.212 18869 4140 1 11 . 1 1 121 121 GLU N N 121 121.927 121.927 119.961 1.966 18869 4141 1 11 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.028 0.216 18869 4142 1 11 . 1 1 121 121 GLU C C 121 177.730 177.730 178.449 -0.719 18869 4143 1 11 . 1 1 121 121 GLU CA C 121 57.924 57.924 59.087 -1.163 18869 4144 1 11 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.871 0.031 18869 4145 1 11 . 1 1 121 121 GLU H H 121 8.073 8.073 7.865 0.208 18869 4146 1 11 . 1 1 122 122 ARG N N 122 120.226 120.226 117.624 2.602 18869 4147 1 11 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.114 0.140 18869 4148 1 11 . 1 1 122 122 ARG C C 122 177.289 177.289 176.891 0.398 18869 4149 1 11 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.582 0.129 18869 4150 1 11 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.288 0.534 18869 4151 1 11 . 1 1 122 122 ARG H H 122 8.081 8.081 7.363 0.718 18869 4152 1 11 . 1 1 123 123 ASN N N 123 118.062 118.062 118.548 -0.486 18869 4153 1 11 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.657 0.085 18869 4154 1 11 . 1 1 123 123 ASN C C 123 175.035 175.035 174.385 0.650 18869 4155 1 11 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.359 0.361 18869 4156 1 11 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.893 0.149 18869 4157 1 11 . 1 1 123 123 ASN H H 123 8.229 8.229 7.699 0.530 18869 4158 1 11 . 1 1 124 124 ALA N N 124 123.469 123.469 124.008 -0.539 18869 4159 1 11 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.164 0.228 18869 4160 1 11 . 1 1 124 124 ALA C C 124 177.587 177.587 177.235 0.352 18869 4161 1 11 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.984 -0.206 18869 4162 1 11 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.074 0.291 18869 4163 1 11 . 1 1 124 124 ALA H H 124 7.989 7.989 8.347 -0.358 18869 4164 1 11 . 1 1 125 125 ARG N N 125 120.186 120.186 122.048 -1.862 18869 4165 1 11 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.749 -0.263 18869 4166 1 11 . 1 1 125 125 ARG C C 125 175.804 175.804 175.557 0.247 18869 4167 1 11 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.389 0.863 18869 4168 1 11 . 1 1 125 125 ARG CB C 125 30.858 30.858 31.139 -0.281 18869 4169 1 11 . 1 1 125 125 ARG H H 125 8.200 8.200 8.243 -0.043 18869 4170 1 12 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.754 -0.017 18869 4171 1 12 . 1 1 59 59 HIS C C 59 174.845 174.845 173.530 1.315 18869 4172 1 12 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.295 1.137 18869 4173 1 12 . 1 1 59 59 HIS CB C 59 30.554 30.554 31.421 -0.867 18869 4174 1 12 . 1 1 60 60 MET N N 60 121.666 121.666 127.490 -5.824 18869 4175 1 12 . 1 1 60 60 MET HA H 60 4.462 4.462 4.698 -0.236 18869 4176 1 12 . 1 1 60 60 MET C C 60 175.495 175.495 175.308 0.187 18869 4177 1 12 . 1 1 60 60 MET CA C 60 55.475 55.475 55.130 0.345 18869 4178 1 12 . 1 1 60 60 MET H H 60 8.324 8.324 8.815 -0.491 18869 4179 1 12 . 1 1 61 61 ALA N N 61 125.934 125.934 128.487 -2.553 18869 4180 1 12 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.395 -0.048 18869 4181 1 12 . 1 1 61 61 ALA C C 61 177.394 177.394 177.187 0.207 18869 4182 1 12 . 1 1 61 61 ALA CA C 61 52.572 52.572 53.297 -0.725 18869 4183 1 12 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.634 -0.160 18869 4184 1 12 . 1 1 61 61 ALA H H 61 8.438 8.438 8.330 0.108 18869 4185 1 12 . 1 1 62 62 MET N N 62 120.125 120.125 115.755 4.370 18869 4186 1 12 . 1 1 62 62 MET HA H 62 4.489 4.489 4.691 -0.202 18869 4187 1 12 . 1 1 62 62 MET C C 62 175.850 175.850 174.316 1.534 18869 4188 1 12 . 1 1 62 62 MET CA C 62 55.350 55.350 54.309 1.041 18869 4189 1 12 . 1 1 62 62 MET H H 62 8.369 8.369 7.632 0.737 18869 4190 1 12 . 1 1 63 63 LYS N N 63 124.280 124.280 121.309 2.971 18869 4191 1 12 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.646 -0.001 18869 4192 1 12 . 1 1 63 63 LYS C C 63 173.722 173.722 174.410 -0.688 18869 4193 1 12 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.274 -0.032 18869 4194 1 12 . 1 1 63 63 LYS CB C 63 32.640 32.640 31.994 0.646 18869 4195 1 12 . 1 1 63 63 LYS H H 63 8.390 8.390 8.343 0.047 18869 4196 1 12 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.541 0.202 18869 4197 1 12 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.736 -0.180 18869 4198 1 12 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.487 -0.540 18869 4199 1 12 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.432 0.031 18869 4200 1 12 . 1 1 65 65 PRO C C 65 177.677 177.677 177.408 0.269 18869 4201 1 12 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.858 0.620 18869 4202 1 12 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.637 0.452 18869 4203 1 12 . 1 1 66 66 GLY N N 66 109.177 109.177 111.747 -2.570 18869 4204 1 12 . 1 1 66 66 GLY C C 66 173.968 173.968 174.403 -0.435 18869 4205 1 12 . 1 1 66 66 GLY CA C 66 45.248 45.248 45.703 -0.455 18869 4206 1 12 . 1 1 66 66 GLY H H 66 8.501 8.501 8.318 0.183 18869 4207 1 12 . 1 1 67 67 ALA N N 67 123.867 123.867 121.817 2.050 18869 4208 1 12 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.405 -0.017 18869 4209 1 12 . 1 1 67 67 ALA C C 67 177.984 177.984 176.356 1.628 18869 4210 1 12 . 1 1 67 67 ALA CA C 67 52.558 52.558 51.744 0.814 18869 4211 1 12 . 1 1 67 67 ALA CB C 67 19.392 19.392 17.228 2.164 18869 4212 1 12 . 1 1 67 67 ALA H H 67 8.224 8.224 8.257 -0.033 18869 4213 1 12 . 1 1 68 68 GLN N N 68 119.754 119.754 122.928 -3.174 18869 4214 1 12 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.328 0.061 18869 4215 1 12 . 1 1 68 68 GLN C C 68 176.666 176.666 176.402 0.264 18869 4216 1 12 . 1 1 68 68 GLN CA C 68 56.258 56.258 56.206 0.052 18869 4217 1 12 . 1 1 68 68 GLN CB C 68 29.511 29.511 30.314 -0.803 18869 4218 1 12 . 1 1 68 68 GLN H H 68 8.540 8.540 8.105 0.435 18869 4219 1 12 . 1 1 69 69 GLY N N 69 110.258 110.258 109.974 0.284 18869 4220 1 12 . 1 1 69 69 GLY C C 69 174.333 174.333 174.923 -0.590 18869 4221 1 12 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.101 0.415 18869 4222 1 12 . 1 1 69 69 GLY H H 69 8.516 8.516 8.534 -0.018 18869 4223 1 12 . 1 1 70 70 SER N N 70 116.141 116.141 119.572 -3.431 18869 4224 1 12 . 1 1 70 70 SER HA H 70 4.504 4.504 4.081 0.423 18869 4225 1 12 . 1 1 70 70 SER C C 70 174.792 174.792 175.786 -0.994 18869 4226 1 12 . 1 1 70 70 SER CA C 70 58.792 58.792 61.026 -2.234 18869 4227 1 12 . 1 1 70 70 SER CB C 70 64.011 64.011 63.370 0.641 18869 4228 1 12 . 1 1 70 70 SER H H 70 8.387 8.387 8.047 0.340 18869 4229 1 12 . 1 1 71 71 GLN N N 71 122.245 122.245 120.782 1.463 18869 4230 1 12 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.547 -0.143 18869 4231 1 12 . 1 1 71 71 GLN C C 71 176.805 176.805 175.293 1.512 18869 4232 1 12 . 1 1 71 71 GLN CA C 71 57.233 57.233 55.342 1.891 18869 4233 1 12 . 1 1 71 71 GLN CB C 71 29.111 29.111 27.270 1.841 18869 4234 1 12 . 1 1 71 71 GLN H H 71 8.639 8.639 8.262 0.377 18869 4235 1 12 . 1 1 72 72 SER N N 72 116.778 116.778 118.944 -2.166 18869 4236 1 12 . 1 1 72 72 SER HA H 72 4.536 4.536 4.352 0.184 18869 4237 1 12 . 1 1 72 72 SER C C 72 175.305 175.305 175.644 -0.339 18869 4238 1 12 . 1 1 72 72 SER CA C 72 59.356 59.356 61.435 -2.079 18869 4239 1 12 . 1 1 72 72 SER CB C 72 63.977 63.977 63.086 0.891 18869 4240 1 12 . 1 1 72 72 SER H H 72 8.516 8.516 8.136 0.380 18869 4241 1 12 . 1 1 73 73 THR N N 73 119.063 119.063 115.590 3.473 18869 4242 1 12 . 1 1 73 73 THR HA H 73 4.045 4.045 4.313 -0.268 18869 4243 1 12 . 1 1 73 73 THR C C 73 176.016 176.016 175.477 0.539 18869 4244 1 12 . 1 1 73 73 THR CA C 73 65.705 65.705 63.503 2.202 18869 4245 1 12 . 1 1 73 73 THR CB C 73 68.743 68.743 69.014 -0.271 18869 4246 1 12 . 1 1 73 73 THR H H 73 8.305 8.305 8.603 -0.298 18869 4247 1 12 . 1 1 74 74 TYR N N 74 118.707 118.707 120.830 -2.123 18869 4248 1 12 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.491 -0.217 18869 4249 1 12 . 1 1 74 74 TYR C C 74 177.613 177.613 176.885 0.728 18869 4250 1 12 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.523 0.581 18869 4251 1 12 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.801 -0.684 18869 4252 1 12 . 1 1 74 74 TYR H H 74 7.905 7.905 8.418 -0.513 18869 4253 1 12 . 1 1 75 75 THR N N 75 114.583 114.583 116.072 -1.489 18869 4254 1 12 . 1 1 75 75 THR HA H 75 3.992 3.992 3.935 0.057 18869 4255 1 12 . 1 1 75 75 THR C C 75 177.381 177.381 176.121 1.260 18869 4256 1 12 . 1 1 75 75 THR CA C 75 66.363 66.363 66.570 -0.207 18869 4257 1 12 . 1 1 75 75 THR CB C 75 68.324 68.324 68.388 -0.064 18869 4258 1 12 . 1 1 75 75 THR H H 75 8.027 8.027 7.686 0.341 18869 4259 1 12 . 1 1 76 76 ASP N N 76 124.495 124.495 121.931 2.564 18869 4260 1 12 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.335 0.162 18869 4261 1 12 . 1 1 76 76 ASP C C 76 178.510 178.510 177.851 0.659 18869 4262 1 12 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.548 -0.261 18869 4263 1 12 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.834 -0.605 18869 4264 1 12 . 1 1 76 76 ASP H H 76 8.293 8.293 8.354 -0.061 18869 4265 1 12 . 1 1 77 77 LEU N N 77 121.803 121.803 120.620 1.183 18869 4266 1 12 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.791 0.212 18869 4267 1 12 . 1 1 77 77 LEU C C 77 177.976 177.976 177.579 0.397 18869 4268 1 12 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.695 0.329 18869 4269 1 12 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.330 0.592 18869 4270 1 12 . 1 1 77 77 LEU H H 77 8.301 8.301 7.262 1.039 18869 4271 1 12 . 1 1 78 78 LEU N N 78 119.070 119.070 118.858 0.212 18869 4272 1 12 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.804 0.233 18869 4273 1 12 . 1 1 78 78 LEU C C 78 179.095 179.095 178.569 0.526 18869 4274 1 12 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.090 0.556 18869 4275 1 12 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.454 -0.137 18869 4276 1 12 . 1 1 78 78 LEU H H 78 8.380 8.380 7.496 0.884 18869 4277 1 12 . 1 1 79 79 SER N N 79 114.297 114.297 114.934 -0.637 18869 4278 1 12 . 1 1 79 79 SER HA H 79 4.337 4.337 4.086 0.251 18869 4279 1 12 . 1 1 79 79 SER C C 79 176.729 176.729 176.471 0.258 18869 4280 1 12 . 1 1 79 79 SER CA C 79 62.031 62.031 62.397 -0.366 18869 4281 1 12 . 1 1 79 79 SER CB C 79 62.761 62.761 62.877 -0.116 18869 4282 1 12 . 1 1 79 79 SER H H 79 7.976 7.976 7.813 0.163 18869 4283 1 12 . 1 1 80 80 VAL N N 80 122.776 122.776 123.375 -0.599 18869 4284 1 12 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.781 0.080 18869 4285 1 12 . 1 1 80 80 VAL C C 80 178.463 178.463 178.180 0.283 18869 4286 1 12 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.080 0.115 18869 4287 1 12 . 1 1 80 80 VAL CB C 80 31.912 31.912 30.876 1.036 18869 4288 1 12 . 1 1 80 80 VAL H H 80 8.126 8.126 7.865 0.261 18869 4289 1 12 . 1 1 81 81 ILE N N 81 121.312 121.312 118.951 2.361 18869 4290 1 12 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.667 0.128 18869 4291 1 12 . 1 1 81 81 ILE C C 81 177.475 177.475 178.371 -0.896 18869 4292 1 12 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.153 0.972 18869 4293 1 12 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.136 1.594 18869 4294 1 12 . 1 1 81 81 ILE H H 81 8.236 8.236 7.919 0.317 18869 4295 1 12 . 1 1 82 82 GLU N N 82 119.637 119.637 120.143 -0.506 18869 4296 1 12 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.983 0.176 18869 4297 1 12 . 1 1 82 82 GLU C C 82 180.592 180.592 179.254 1.338 18869 4298 1 12 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.450 -0.272 18869 4299 1 12 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.392 -0.124 18869 4300 1 12 . 1 1 82 82 GLU H H 82 8.326 8.326 7.660 0.666 18869 4301 1 12 . 1 1 83 83 GLU N N 83 119.955 119.955 118.995 0.960 18869 4302 1 12 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.051 0.008 18869 4303 1 12 . 1 1 83 83 GLU C C 83 179.428 179.428 179.283 0.145 18869 4304 1 12 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.709 0.881 18869 4305 1 12 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.602 -0.332 18869 4306 1 12 . 1 1 83 83 GLU H H 83 8.383 8.383 8.202 0.181 18869 4307 1 12 . 1 1 84 84 MET N N 84 118.367 118.367 118.610 -0.243 18869 4308 1 12 . 1 1 84 84 MET HA H 84 4.066 4.066 4.104 -0.038 18869 4309 1 12 . 1 1 84 84 MET C C 84 179.303 179.303 178.353 0.950 18869 4310 1 12 . 1 1 84 84 MET CA C 84 60.047 60.047 59.230 0.817 18869 4311 1 12 . 1 1 84 84 MET CB C 84 34.431 34.431 32.676 1.755 18869 4312 1 12 . 1 1 84 84 MET H H 84 8.335 8.335 8.211 0.124 18869 4313 1 12 . 1 1 85 85 GLY N N 85 104.067 104.067 105.126 -1.059 18869 4314 1 12 . 1 1 85 85 GLY C C 85 176.612 176.612 174.915 1.697 18869 4315 1 12 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.762 0.781 18869 4316 1 12 . 1 1 85 85 GLY H H 85 8.219 8.219 7.931 0.288 18869 4317 1 12 . 1 1 86 86 LYS N N 86 119.651 119.651 118.971 0.680 18869 4318 1 12 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.165 0.108 18869 4319 1 12 . 1 1 86 86 LYS C C 86 177.390 177.390 178.619 -1.229 18869 4320 1 12 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.897 -0.416 18869 4321 1 12 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.442 0.152 18869 4322 1 12 . 1 1 86 86 LYS H H 86 7.585 7.585 7.269 0.316 18869 4323 1 12 . 1 1 87 87 GLU N N 87 114.250 114.250 119.283 -5.033 18869 4324 1 12 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.172 1.013 18869 4325 1 12 . 1 1 87 87 GLU C C 87 179.381 179.381 178.772 0.609 18869 4326 1 12 . 1 1 87 87 GLU CA C 87 54.803 54.803 58.018 -3.215 18869 4327 1 12 . 1 1 87 87 GLU CB C 87 29.632 29.632 28.874 0.758 18869 4328 1 12 . 1 1 87 87 GLU H H 87 7.710 7.710 7.683 0.027 18869 4329 1 12 . 1 1 88 88 ILE N N 88 122.587 122.587 120.696 1.891 18869 4330 1 12 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.748 -0.272 18869 4331 1 12 . 1 1 88 88 ILE C C 88 175.990 175.990 177.790 -1.800 18869 4332 1 12 . 1 1 88 88 ILE CA C 88 67.511 67.511 64.902 2.609 18869 4333 1 12 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.447 0.512 18869 4334 1 12 . 1 1 88 88 ILE H H 88 7.471 7.471 7.533 -0.062 18869 4335 1 12 . 1 1 89 89 ARG N N 89 118.954 118.954 120.814 -1.860 18869 4336 1 12 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.286 0.083 18869 4337 1 12 . 1 1 89 89 ARG C C 89 176.834 176.834 175.495 1.339 18869 4338 1 12 . 1 1 89 89 ARG CA C 89 61.389 61.389 60.456 0.933 18869 4339 1 12 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.938 -1.040 18869 4340 1 12 . 1 1 89 89 ARG H H 89 8.983 8.983 7.587 1.396 18869 4341 1 12 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.379 0.158 18869 4342 1 12 . 1 1 90 90 PRO C C 90 178.848 178.848 178.607 0.241 18869 4343 1 12 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.767 0.203 18869 4344 1 12 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.270 -1.008 18869 4345 1 12 . 1 1 91 91 THR N N 91 118.284 118.284 116.400 1.884 18869 4346 1 12 . 1 1 91 91 THR HA H 91 4.461 4.461 4.243 0.218 18869 4347 1 12 . 1 1 91 91 THR C C 91 176.982 176.982 177.181 -0.199 18869 4348 1 12 . 1 1 91 91 THR CA C 91 67.247 67.247 67.401 -0.154 18869 4349 1 12 . 1 1 91 91 THR CB C 91 69.454 69.454 68.628 0.826 18869 4350 1 12 . 1 1 91 91 THR H H 91 7.734 7.734 8.031 -0.297 18869 4351 1 12 . 1 1 92 92 TYR N N 92 123.739 123.739 122.781 0.958 18869 4352 1 12 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.233 0.611 18869 4353 1 12 . 1 1 92 92 TYR C C 92 177.320 177.320 175.982 1.338 18869 4354 1 12 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.677 -1.869 18869 4355 1 12 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.505 0.695 18869 4356 1 12 . 1 1 92 92 TYR H H 92 8.420 8.420 8.129 0.291 18869 4357 1 12 . 1 1 93 93 ALA N N 93 120.159 120.159 118.640 1.519 18869 4358 1 12 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.307 -0.136 18869 4359 1 12 . 1 1 93 93 ALA C C 93 177.685 177.685 177.479 0.206 18869 4360 1 12 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.354 -0.375 18869 4361 1 12 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.481 -0.970 18869 4362 1 12 . 1 1 93 93 ALA H H 93 7.929 7.929 7.713 0.216 18869 4363 1 12 . 1 1 94 94 GLY N N 94 108.770 108.770 106.291 2.479 18869 4364 1 12 . 1 1 94 94 GLY C C 94 174.896 174.896 174.855 0.041 18869 4365 1 12 . 1 1 94 94 GLY CA C 94 45.882 45.882 44.704 1.178 18869 4366 1 12 . 1 1 94 94 GLY H H 94 8.311 8.311 7.689 0.622 18869 4367 1 12 . 1 1 95 95 SER N N 95 115.316 115.316 119.416 -4.100 18869 4368 1 12 . 1 1 95 95 SER HA H 95 4.774 4.774 4.445 0.329 18869 4369 1 12 . 1 1 95 95 SER C C 95 175.089 175.089 175.183 -0.094 18869 4370 1 12 . 1 1 95 95 SER CA C 95 57.083 57.083 58.459 -1.376 18869 4371 1 12 . 1 1 95 95 SER CB C 95 62.543 62.543 62.357 0.186 18869 4372 1 12 . 1 1 95 95 SER H H 95 8.363 8.363 8.117 0.246 18869 4373 1 12 . 1 1 96 96 LYS N N 96 134.180 134.180 127.309 6.871 18869 4374 1 12 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.927 0.057 18869 4375 1 12 . 1 1 96 96 LYS C C 96 178.195 178.195 177.801 0.394 18869 4376 1 12 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.937 -0.040 18869 4377 1 12 . 1 1 96 96 LYS CB C 96 32.947 32.947 32.052 0.895 18869 4378 1 12 . 1 1 96 96 LYS H H 96 9.099 9.099 7.895 1.204 18869 4379 1 12 . 1 1 97 97 SER N N 97 113.650 113.650 116.066 -2.416 18869 4380 1 12 . 1 1 97 97 SER HA H 97 4.230 4.230 4.190 0.040 18869 4381 1 12 . 1 1 97 97 SER C C 97 177.304 177.304 176.260 1.044 18869 4382 1 12 . 1 1 97 97 SER CA C 97 61.152 61.152 61.647 -0.495 18869 4383 1 12 . 1 1 97 97 SER CB C 97 62.101 62.101 62.489 -0.388 18869 4384 1 12 . 1 1 97 97 SER H H 97 8.383 8.383 8.615 -0.232 18869 4385 1 12 . 1 1 98 98 ALA N N 98 126.790 126.790 124.514 2.276 18869 4386 1 12 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.073 -0.046 18869 4387 1 12 . 1 1 98 98 ALA C C 98 178.317 178.317 179.297 -0.980 18869 4388 1 12 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.427 0.880 18869 4389 1 12 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.573 1.185 18869 4390 1 12 . 1 1 98 98 ALA H H 98 7.771 7.771 8.062 -0.291 18869 4391 1 12 . 1 1 99 99 MET N N 99 119.910 119.910 119.520 0.390 18869 4392 1 12 . 1 1 99 99 MET HA H 99 3.944 3.944 4.165 -0.221 18869 4393 1 12 . 1 1 99 99 MET C C 99 178.584 178.584 178.175 0.409 18869 4394 1 12 . 1 1 99 99 MET CA C 99 59.584 59.584 58.859 0.725 18869 4395 1 12 . 1 1 99 99 MET H H 99 7.856 7.856 8.064 -0.208 18869 4396 1 12 . 1 1 100 100 GLU N N 100 118.105 118.105 119.480 -1.375 18869 4397 1 12 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.076 -0.093 18869 4398 1 12 . 1 1 100 100 GLU C C 100 180.292 180.292 179.037 1.255 18869 4399 1 12 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.436 -0.002 18869 4400 1 12 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.160 0.088 18869 4401 1 12 . 1 1 100 100 GLU H H 100 8.255 8.255 8.021 0.234 18869 4402 1 12 . 1 1 101 101 ARG N N 101 120.780 120.780 119.393 1.387 18869 4403 1 12 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.124 -0.091 18869 4404 1 12 . 1 1 101 101 ARG C C 101 180.619 180.619 178.990 1.629 18869 4405 1 12 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.937 1.860 18869 4406 1 12 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.210 0.595 18869 4407 1 12 . 1 1 101 101 ARG H H 101 7.973 7.973 7.682 0.291 18869 4408 1 12 . 1 1 102 102 LEU N N 102 125.866 125.866 121.823 4.043 18869 4409 1 12 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.061 0.082 18869 4410 1 12 . 1 1 102 102 LEU C C 102 178.209 178.209 178.203 0.006 18869 4411 1 12 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.636 1.556 18869 4412 1 12 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.668 0.152 18869 4413 1 12 . 1 1 102 102 LEU H H 102 8.781 8.781 8.407 0.374 18869 4414 1 12 . 1 1 103 103 LYS N N 103 118.426 118.426 118.342 0.084 18869 4415 1 12 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.927 -0.079 18869 4416 1 12 . 1 1 103 103 LYS C C 103 179.666 179.666 179.165 0.501 18869 4417 1 12 . 1 1 103 103 LYS CA C 103 60.600 60.600 59.169 1.431 18869 4418 1 12 . 1 1 103 103 LYS CB C 103 32.731 32.731 31.812 0.919 18869 4419 1 12 . 1 1 103 103 LYS H H 103 8.573 8.573 8.166 0.407 18869 4420 1 12 . 1 1 104 104 ARG N N 104 117.936 117.936 119.715 -1.779 18869 4421 1 12 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.049 0.001 18869 4422 1 12 . 1 1 104 104 ARG C C 104 179.190 179.190 178.546 0.644 18869 4423 1 12 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.071 0.466 18869 4424 1 12 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.025 0.025 18869 4425 1 12 . 1 1 104 104 ARG H H 104 8.154 8.154 8.046 0.108 18869 4426 1 12 . 1 1 105 105 GLY N N 105 110.339 110.339 107.200 3.139 18869 4427 1 12 . 1 1 105 105 GLY C C 105 174.974 174.974 176.121 -1.147 18869 4428 1 12 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.206 0.500 18869 4429 1 12 . 1 1 105 105 GLY H H 105 8.265 8.265 8.168 0.098 18869 4430 1 12 . 1 1 106 106 ILE N N 106 122.669 122.669 122.738 -0.069 18869 4431 1 12 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.886 -0.165 18869 4432 1 12 . 1 1 106 106 ILE C C 106 177.749 177.749 178.208 -0.459 18869 4433 1 12 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.365 -0.254 18869 4434 1 12 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.066 -1.780 18869 4435 1 12 . 1 1 106 106 ILE H H 106 8.028 8.028 7.530 0.498 18869 4436 1 12 . 1 1 107 107 ILE N N 107 119.626 119.626 120.002 -0.376 18869 4437 1 12 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.669 -0.017 18869 4438 1 12 . 1 1 107 107 ILE C C 107 179.292 179.292 177.806 1.486 18869 4439 1 12 . 1 1 107 107 ILE CA C 107 65.307 65.307 64.734 0.573 18869 4440 1 12 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.465 0.944 18869 4441 1 12 . 1 1 107 107 ILE H H 107 7.481 7.481 7.640 -0.159 18869 4442 1 12 . 1 1 108 108 HIS N N 108 120.644 120.644 120.038 0.606 18869 4443 1 12 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.197 0.505 18869 4444 1 12 . 1 1 108 108 HIS C C 108 177.121 177.121 177.138 -0.017 18869 4445 1 12 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.500 -1.936 18869 4446 1 12 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.499 -0.055 18869 4447 1 12 . 1 1 108 108 HIS H H 108 8.396 8.396 8.433 -0.037 18869 4448 1 12 . 1 1 109 109 ALA N N 109 121.460 121.460 121.101 0.359 18869 4449 1 12 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.910 -0.002 18869 4450 1 12 . 1 1 109 109 ALA C C 109 178.810 178.810 179.136 -0.326 18869 4451 1 12 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.114 0.461 18869 4452 1 12 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.360 -0.761 18869 4453 1 12 . 1 1 109 109 ALA H H 109 9.416 9.416 8.389 1.027 18869 4454 1 12 . 1 1 110 110 ARG N N 110 116.845 116.845 120.203 -3.358 18869 4455 1 12 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.020 -0.287 18869 4456 1 12 . 1 1 110 110 ARG C C 110 177.800 177.800 178.275 -0.475 18869 4457 1 12 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.463 1.968 18869 4458 1 12 . 1 1 110 110 ARG CB C 110 30.890 30.890 29.610 1.280 18869 4459 1 12 . 1 1 110 110 ARG H H 110 8.579 8.579 8.197 0.382 18869 4460 1 12 . 1 1 111 111 ALA N N 111 120.689 120.689 121.175 -0.486 18869 4461 1 12 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.110 0.050 18869 4462 1 12 . 1 1 111 111 ALA C C 111 181.315 181.315 179.649 1.666 18869 4463 1 12 . 1 1 111 111 ALA CA C 111 55.413 55.413 55.008 0.405 18869 4464 1 12 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.489 -0.423 18869 4465 1 12 . 1 1 111 111 ALA H H 111 7.808 7.808 7.758 0.050 18869 4466 1 12 . 1 1 112 112 LEU N N 112 119.511 119.511 119.183 0.328 18869 4467 1 12 . 1 1 112 112 LEU C C 112 179.788 179.788 179.243 0.545 18869 4468 1 12 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.841 0.156 18869 4469 1 12 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.974 0.899 18869 4470 1 12 . 1 1 112 112 LEU H H 112 8.308 8.308 7.803 0.505 18869 4471 1 12 . 1 1 113 113 VAL N N 113 119.879 119.879 118.162 1.717 18869 4472 1 12 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.571 -0.017 18869 4473 1 12 . 1 1 113 113 VAL C C 113 178.238 178.238 177.855 0.383 18869 4474 1 12 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.629 1.012 18869 4475 1 12 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.424 -0.048 18869 4476 1 12 . 1 1 113 113 VAL H H 113 8.502 8.502 8.063 0.439 18869 4477 1 12 . 1 1 114 114 ARG N N 114 118.928 118.928 119.884 -0.956 18869 4478 1 12 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.992 -0.003 18869 4479 1 12 . 1 1 114 114 ARG C C 114 179.368 179.368 178.630 0.738 18869 4480 1 12 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.304 0.903 18869 4481 1 12 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.630 -1.058 18869 4482 1 12 . 1 1 114 114 ARG H H 114 8.335 8.335 7.736 0.599 18869 4483 1 12 . 1 1 115 115 GLU N N 115 120.444 120.444 118.323 2.121 18869 4484 1 12 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.152 0.056 18869 4485 1 12 . 1 1 115 115 GLU C C 115 178.931 178.931 179.036 -0.105 18869 4486 1 12 . 1 1 115 115 GLU CA C 115 59.283 59.283 59.060 0.223 18869 4487 1 12 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.240 -0.139 18869 4488 1 12 . 1 1 115 115 GLU H H 115 7.971 7.971 7.921 0.050 18869 4489 1 12 . 1 1 116 116 CYS N N 116 118.789 118.789 118.203 0.586 18869 4490 1 12 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.297 -0.190 18869 4491 1 12 . 1 1 116 116 CYS C C 116 177.264 177.264 176.957 0.307 18869 4492 1 12 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.992 -0.033 18869 4493 1 12 . 1 1 116 116 CYS CB C 116 26.607 26.607 28.140 -1.533 18869 4494 1 12 . 1 1 116 116 CYS H H 116 7.989 7.989 7.997 -0.008 18869 4495 1 12 . 1 1 117 117 LEU N N 117 120.670 120.670 120.484 0.186 18869 4496 1 12 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.959 -0.011 18869 4497 1 12 . 1 1 117 117 LEU C C 117 178.291 178.291 179.077 -0.786 18869 4498 1 12 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.697 -0.428 18869 4499 1 12 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.545 0.688 18869 4500 1 12 . 1 1 117 117 LEU H H 117 8.028 8.028 8.078 -0.050 18869 4501 1 12 . 1 1 118 118 ALA N N 118 122.520 122.520 120.271 2.249 18869 4502 1 12 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.059 0.145 18869 4503 1 12 . 1 1 118 118 ALA C C 118 179.805 179.805 179.907 -0.102 18869 4504 1 12 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.883 -0.474 18869 4505 1 12 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.567 -0.197 18869 4506 1 12 . 1 1 118 118 ALA H H 118 8.000 8.000 7.711 0.289 18869 4507 1 12 . 1 1 119 119 GLU N N 119 118.901 118.901 117.870 1.031 18869 4508 1 12 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.145 0.039 18869 4509 1 12 . 1 1 119 119 GLU C C 119 178.082 178.082 178.801 -0.719 18869 4510 1 12 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.761 -0.309 18869 4511 1 12 . 1 1 119 119 GLU CB C 119 29.666 29.666 28.988 0.678 18869 4512 1 12 . 1 1 119 119 GLU H H 119 8.094 8.094 8.053 0.041 18869 4513 1 12 . 1 1 120 120 THR N N 120 113.828 113.828 117.460 -3.632 18869 4514 1 12 . 1 1 120 120 THR HA H 120 4.251 4.251 3.889 0.362 18869 4515 1 12 . 1 1 120 120 THR C C 120 176.051 176.051 176.191 -0.140 18869 4516 1 12 . 1 1 120 120 THR CA C 120 64.664 64.664 66.972 -2.308 18869 4517 1 12 . 1 1 120 120 THR CB C 120 69.543 69.543 68.355 1.188 18869 4518 1 12 . 1 1 120 120 THR H H 120 7.976 7.976 8.252 -0.276 18869 4519 1 12 . 1 1 121 121 GLU N N 121 121.927 121.927 120.652 1.275 18869 4520 1 12 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.049 0.195 18869 4521 1 12 . 1 1 121 121 GLU C C 121 177.730 177.730 177.570 0.160 18869 4522 1 12 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.551 -0.627 18869 4523 1 12 . 1 1 121 121 GLU CB C 121 29.902 29.902 28.883 1.019 18869 4524 1 12 . 1 1 121 121 GLU H H 121 8.073 8.073 7.760 0.313 18869 4525 1 12 . 1 1 122 122 ARG N N 122 120.226 120.226 117.895 2.331 18869 4526 1 12 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.221 0.033 18869 4527 1 12 . 1 1 122 122 ARG C C 122 177.289 177.289 177.345 -0.056 18869 4528 1 12 . 1 1 122 122 ARG CA C 122 57.711 57.711 56.828 0.883 18869 4529 1 12 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.349 0.473 18869 4530 1 12 . 1 1 122 122 ARG H H 122 8.081 8.081 7.628 0.453 18869 4531 1 12 . 1 1 123 123 ASN N N 123 118.062 118.062 119.175 -1.113 18869 4532 1 12 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.697 0.045 18869 4533 1 12 . 1 1 123 123 ASN C C 123 175.035 175.035 175.158 -0.123 18869 4534 1 12 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.360 0.360 18869 4535 1 12 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.612 -0.570 18869 4536 1 12 . 1 1 123 123 ASN H H 123 8.229 8.229 7.612 0.617 18869 4537 1 12 . 1 1 124 124 ALA N N 124 123.469 123.469 125.152 -1.683 18869 4538 1 12 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.391 0.001 18869 4539 1 12 . 1 1 124 124 ALA C C 124 177.587 177.587 177.392 0.195 18869 4540 1 12 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.285 1.494 18869 4541 1 12 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.000 0.365 18869 4542 1 12 . 1 1 124 124 ALA H H 124 7.989 7.989 8.495 -0.506 18869 4543 1 12 . 1 1 125 125 ARG N N 125 120.186 120.186 120.917 -0.731 18869 4544 1 12 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.203 0.283 18869 4545 1 12 . 1 1 125 125 ARG C C 125 175.804 175.804 175.314 0.490 18869 4546 1 12 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.980 -0.728 18869 4547 1 12 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.639 0.220 18869 4548 1 12 . 1 1 125 125 ARG H H 125 8.200 8.200 7.854 0.346 18869 4549 1 13 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.605 0.132 18869 4550 1 13 . 1 1 59 59 HIS C C 59 174.845 174.845 174.459 0.386 18869 4551 1 13 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.022 0.410 18869 4552 1 13 . 1 1 59 59 HIS CB C 59 30.554 30.554 28.808 1.746 18869 4553 1 13 . 1 1 60 60 MET N N 60 121.666 121.666 124.136 -2.470 18869 4554 1 13 . 1 1 60 60 MET HA H 60 4.462 4.462 4.546 -0.084 18869 4555 1 13 . 1 1 60 60 MET C C 60 175.495 175.495 175.619 -0.124 18869 4556 1 13 . 1 1 60 60 MET CA C 60 55.475 55.475 54.810 0.665 18869 4557 1 13 . 1 1 60 60 MET H H 60 8.324 8.324 7.946 0.378 18869 4558 1 13 . 1 1 61 61 ALA N N 61 125.934 125.934 130.001 -4.067 18869 4559 1 13 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.598 -0.251 18869 4560 1 13 . 1 1 61 61 ALA C C 61 177.394 177.394 176.775 0.619 18869 4561 1 13 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.130 1.442 18869 4562 1 13 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.246 0.229 18869 4563 1 13 . 1 1 61 61 ALA H H 61 8.438 8.438 8.696 -0.258 18869 4564 1 13 . 1 1 62 62 MET N N 62 120.125 120.125 122.950 -2.825 18869 4565 1 13 . 1 1 62 62 MET HA H 62 4.489 4.489 4.337 0.152 18869 4566 1 13 . 1 1 62 62 MET C C 62 175.850 175.850 176.009 -0.159 18869 4567 1 13 . 1 1 62 62 MET CA C 62 55.350 55.350 55.361 -0.011 18869 4568 1 13 . 1 1 62 62 MET H H 62 8.369 8.369 8.598 -0.229 18869 4569 1 13 . 1 1 63 63 LYS N N 63 124.280 124.280 125.461 -1.181 18869 4570 1 13 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.734 -0.089 18869 4571 1 13 . 1 1 63 63 LYS C C 63 173.722 173.722 174.321 -0.599 18869 4572 1 13 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.612 -0.370 18869 4573 1 13 . 1 1 63 63 LYS CB C 63 32.640 32.640 32.356 0.284 18869 4574 1 13 . 1 1 63 63 LYS H H 63 8.390 8.390 8.576 -0.186 18869 4575 1 13 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.659 0.084 18869 4576 1 13 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.680 -0.124 18869 4577 1 13 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.438 -0.491 18869 4578 1 13 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.372 0.091 18869 4579 1 13 . 1 1 65 65 PRO C C 65 177.677 177.677 176.641 1.036 18869 4580 1 13 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.060 0.417 18869 4581 1 13 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.129 0.960 18869 4582 1 13 . 1 1 66 66 GLY N N 66 109.177 109.177 111.568 -2.391 18869 4583 1 13 . 1 1 66 66 GLY C C 66 173.968 173.968 173.519 0.449 18869 4584 1 13 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.879 0.369 18869 4585 1 13 . 1 1 66 66 GLY H H 66 8.501 8.501 8.021 0.480 18869 4586 1 13 . 1 1 67 67 ALA N N 67 123.867 123.867 127.258 -3.391 18869 4587 1 13 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.666 -0.278 18869 4588 1 13 . 1 1 67 67 ALA C C 67 177.984 177.984 176.969 1.015 18869 4589 1 13 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.320 0.238 18869 4590 1 13 . 1 1 67 67 ALA CB C 67 19.392 19.392 20.369 -0.977 18869 4591 1 13 . 1 1 67 67 ALA H H 67 8.224 8.224 8.496 -0.272 18869 4592 1 13 . 1 1 68 68 GLN N N 68 119.754 119.754 122.075 -2.321 18869 4593 1 13 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.329 0.060 18869 4594 1 13 . 1 1 68 68 GLN C C 68 176.666 176.666 176.485 0.181 18869 4595 1 13 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.683 0.575 18869 4596 1 13 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.255 0.256 18869 4597 1 13 . 1 1 68 68 GLN H H 68 8.540 8.540 8.816 -0.276 18869 4598 1 13 . 1 1 69 69 GLY N N 69 110.258 110.258 108.094 2.164 18869 4599 1 13 . 1 1 69 69 GLY C C 69 174.333 174.333 173.795 0.538 18869 4600 1 13 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.545 0.971 18869 4601 1 13 . 1 1 69 69 GLY H H 69 8.516 8.516 8.267 0.249 18869 4602 1 13 . 1 1 70 70 SER N N 70 116.141 116.141 117.722 -1.581 18869 4603 1 13 . 1 1 70 70 SER HA H 70 4.504 4.504 4.593 -0.089 18869 4604 1 13 . 1 1 70 70 SER C C 70 174.792 174.792 174.575 0.217 18869 4605 1 13 . 1 1 70 70 SER CA C 70 58.792 58.792 58.229 0.563 18869 4606 1 13 . 1 1 70 70 SER CB C 70 64.011 64.011 63.301 0.710 18869 4607 1 13 . 1 1 70 70 SER H H 70 8.387 8.387 8.495 -0.108 18869 4608 1 13 . 1 1 71 71 GLN N N 71 122.245 122.245 121.637 0.608 18869 4609 1 13 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.542 -0.138 18869 4610 1 13 . 1 1 71 71 GLN C C 71 176.805 176.805 176.147 0.658 18869 4611 1 13 . 1 1 71 71 GLN CA C 71 57.233 57.233 55.088 2.145 18869 4612 1 13 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.832 0.279 18869 4613 1 13 . 1 1 71 71 GLN H H 71 8.639 8.639 8.407 0.232 18869 4614 1 13 . 1 1 72 72 SER N N 72 116.778 116.778 115.741 1.037 18869 4615 1 13 . 1 1 72 72 SER HA H 72 4.536 4.536 4.303 0.233 18869 4616 1 13 . 1 1 72 72 SER C C 72 175.305 175.305 176.375 -1.070 18869 4617 1 13 . 1 1 72 72 SER CA C 72 59.356 59.356 61.815 -2.459 18869 4618 1 13 . 1 1 72 72 SER CB C 72 63.977 63.977 62.734 1.243 18869 4619 1 13 . 1 1 72 72 SER H H 72 8.516 8.516 8.378 0.138 18869 4620 1 13 . 1 1 73 73 THR N N 73 119.063 119.063 116.868 2.195 18869 4621 1 13 . 1 1 73 73 THR HA H 73 4.045 4.045 4.225 -0.180 18869 4622 1 13 . 1 1 73 73 THR C C 73 176.016 176.016 176.510 -0.494 18869 4623 1 13 . 1 1 73 73 THR CA C 73 65.705 65.705 64.935 0.770 18869 4624 1 13 . 1 1 73 73 THR CB C 73 68.743 68.743 68.944 -0.201 18869 4625 1 13 . 1 1 73 73 THR H H 73 8.305 8.305 8.304 0.001 18869 4626 1 13 . 1 1 74 74 TYR N N 74 118.707 118.707 120.393 -1.686 18869 4627 1 13 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.353 -0.079 18869 4628 1 13 . 1 1 74 74 TYR C C 74 177.613 177.613 176.991 0.622 18869 4629 1 13 . 1 1 74 74 TYR CA C 74 61.104 61.104 60.090 1.014 18869 4630 1 13 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.521 -0.404 18869 4631 1 13 . 1 1 74 74 TYR H H 74 7.905 7.905 8.086 -0.181 18869 4632 1 13 . 1 1 75 75 THR N N 75 114.583 114.583 116.366 -1.783 18869 4633 1 13 . 1 1 75 75 THR HA H 75 3.992 3.992 3.978 0.014 18869 4634 1 13 . 1 1 75 75 THR C C 75 177.381 177.381 175.534 1.847 18869 4635 1 13 . 1 1 75 75 THR CA C 75 66.363 66.363 66.774 -0.411 18869 4636 1 13 . 1 1 75 75 THR CB C 75 68.324 68.324 68.427 -0.103 18869 4637 1 13 . 1 1 75 75 THR H H 75 8.027 8.027 8.235 -0.208 18869 4638 1 13 . 1 1 76 76 ASP N N 76 124.495 124.495 122.788 1.707 18869 4639 1 13 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.332 0.166 18869 4640 1 13 . 1 1 76 76 ASP C C 76 178.510 178.510 178.087 0.423 18869 4641 1 13 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.516 -0.229 18869 4642 1 13 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.835 -0.606 18869 4643 1 13 . 1 1 76 76 ASP H H 76 8.293 8.293 8.044 0.249 18869 4644 1 13 . 1 1 77 77 LEU N N 77 121.803 121.803 120.439 1.364 18869 4645 1 13 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.866 0.137 18869 4646 1 13 . 1 1 77 77 LEU C C 77 177.976 177.976 177.823 0.153 18869 4647 1 13 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.910 0.114 18869 4648 1 13 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.621 0.301 18869 4649 1 13 . 1 1 77 77 LEU H H 77 8.301 8.301 7.478 0.823 18869 4650 1 13 . 1 1 78 78 LEU N N 78 119.070 119.070 118.591 0.479 18869 4651 1 13 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.827 0.210 18869 4652 1 13 . 1 1 78 78 LEU C C 78 179.095 179.095 178.584 0.511 18869 4653 1 13 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.825 0.821 18869 4654 1 13 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.281 0.036 18869 4655 1 13 . 1 1 78 78 LEU H H 78 8.380 8.380 7.382 0.998 18869 4656 1 13 . 1 1 79 79 SER N N 79 114.297 114.297 115.205 -0.908 18869 4657 1 13 . 1 1 79 79 SER HA H 79 4.337 4.337 4.179 0.158 18869 4658 1 13 . 1 1 79 79 SER C C 79 176.729 176.729 176.889 -0.160 18869 4659 1 13 . 1 1 79 79 SER CA C 79 62.031 62.031 62.080 -0.049 18869 4660 1 13 . 1 1 79 79 SER CB C 79 62.761 62.761 62.709 0.052 18869 4661 1 13 . 1 1 79 79 SER H H 79 7.976 7.976 7.710 0.266 18869 4662 1 13 . 1 1 80 80 VAL N N 80 122.776 122.776 123.376 -0.600 18869 4663 1 13 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.889 -0.028 18869 4664 1 13 . 1 1 80 80 VAL C C 80 178.463 178.463 177.896 0.567 18869 4665 1 13 . 1 1 80 80 VAL CA C 80 66.195 66.195 65.907 0.288 18869 4666 1 13 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.532 0.380 18869 4667 1 13 . 1 1 80 80 VAL H H 80 8.126 8.126 7.905 0.221 18869 4668 1 13 . 1 1 81 81 ILE N N 81 121.312 121.312 118.725 2.587 18869 4669 1 13 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.714 0.081 18869 4670 1 13 . 1 1 81 81 ILE C C 81 177.475 177.475 178.444 -0.969 18869 4671 1 13 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.179 1.946 18869 4672 1 13 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.003 1.727 18869 4673 1 13 . 1 1 81 81 ILE H H 81 8.236 8.236 7.778 0.458 18869 4674 1 13 . 1 1 82 82 GLU N N 82 119.637 119.637 120.478 -0.841 18869 4675 1 13 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.009 0.150 18869 4676 1 13 . 1 1 82 82 GLU C C 82 180.592 180.592 178.812 1.780 18869 4677 1 13 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.215 -0.037 18869 4678 1 13 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.207 0.060 18869 4679 1 13 . 1 1 82 82 GLU H H 82 8.326 8.326 7.672 0.654 18869 4680 1 13 . 1 1 83 83 GLU N N 83 119.955 119.955 117.874 2.081 18869 4681 1 13 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.110 -0.051 18869 4682 1 13 . 1 1 83 83 GLU C C 83 179.428 179.428 178.399 1.029 18869 4683 1 13 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.401 1.189 18869 4684 1 13 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.721 -0.450 18869 4685 1 13 . 1 1 83 83 GLU H H 83 8.383 8.383 7.849 0.534 18869 4686 1 13 . 1 1 84 84 MET N N 84 118.367 118.367 116.733 1.634 18869 4687 1 13 . 1 1 84 84 MET HA H 84 4.066 4.066 4.316 -0.250 18869 4688 1 13 . 1 1 84 84 MET C C 84 179.303 179.303 177.786 1.517 18869 4689 1 13 . 1 1 84 84 MET CA C 84 60.047 60.047 58.293 1.754 18869 4690 1 13 . 1 1 84 84 MET CB C 84 34.431 34.431 33.196 1.235 18869 4691 1 13 . 1 1 84 84 MET H H 84 8.335 8.335 8.024 0.311 18869 4692 1 13 . 1 1 85 85 GLY N N 85 104.067 104.067 106.755 -2.688 18869 4693 1 13 . 1 1 85 85 GLY C C 85 176.612 176.612 175.259 1.353 18869 4694 1 13 . 1 1 85 85 GLY CA C 85 47.543 47.543 47.016 0.527 18869 4695 1 13 . 1 1 85 85 GLY H H 85 8.219 8.219 7.999 0.220 18869 4696 1 13 . 1 1 86 86 LYS N N 86 119.651 119.651 117.874 1.777 18869 4697 1 13 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.417 -0.144 18869 4698 1 13 . 1 1 86 86 LYS C C 86 177.390 177.390 177.184 0.206 18869 4699 1 13 . 1 1 86 86 LYS CA C 86 58.481 58.481 57.695 0.786 18869 4700 1 13 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.386 0.208 18869 4701 1 13 . 1 1 86 86 LYS H H 86 7.585 7.585 7.543 0.042 18869 4702 1 13 . 1 1 87 87 GLU N N 87 114.250 114.250 119.977 -5.727 18869 4703 1 13 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.308 0.877 18869 4704 1 13 . 1 1 87 87 GLU C C 87 179.381 179.381 177.731 1.650 18869 4705 1 13 . 1 1 87 87 GLU CA C 87 54.803 54.803 56.603 -1.800 18869 4706 1 13 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.642 -0.010 18869 4707 1 13 . 1 1 87 87 GLU H H 87 7.710 7.710 7.567 0.143 18869 4708 1 13 . 1 1 88 88 ILE N N 88 122.587 122.587 120.988 1.599 18869 4709 1 13 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.611 -0.135 18869 4710 1 13 . 1 1 88 88 ILE C C 88 175.990 175.990 177.659 -1.669 18869 4711 1 13 . 1 1 88 88 ILE CA C 88 67.511 67.511 66.070 1.441 18869 4712 1 13 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.550 0.408 18869 4713 1 13 . 1 1 88 88 ILE H H 88 7.471 7.471 7.594 -0.123 18869 4714 1 13 . 1 1 89 89 ARG N N 89 118.954 118.954 119.510 -0.556 18869 4715 1 13 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.256 0.113 18869 4716 1 13 . 1 1 89 89 ARG C C 89 176.834 176.834 175.534 1.300 18869 4717 1 13 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.377 0.013 18869 4718 1 13 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.459 -1.561 18869 4719 1 13 . 1 1 89 89 ARG H H 89 8.983 8.983 8.640 0.343 18869 4720 1 13 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.316 0.221 18869 4721 1 13 . 1 1 90 90 PRO C C 90 178.848 178.848 178.554 0.294 18869 4722 1 13 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.857 0.113 18869 4723 1 13 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.265 -1.003 18869 4724 1 13 . 1 1 91 91 THR N N 91 118.284 118.284 116.046 2.238 18869 4725 1 13 . 1 1 91 91 THR HA H 91 4.461 4.461 4.272 0.189 18869 4726 1 13 . 1 1 91 91 THR C C 91 176.982 176.982 177.095 -0.113 18869 4727 1 13 . 1 1 91 91 THR CA C 91 67.247 67.247 67.222 0.025 18869 4728 1 13 . 1 1 91 91 THR CB C 91 69.454 69.454 68.656 0.798 18869 4729 1 13 . 1 1 91 91 THR H H 91 7.734 7.734 7.917 -0.183 18869 4730 1 13 . 1 1 92 92 TYR N N 92 123.739 123.739 123.153 0.586 18869 4731 1 13 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.208 0.636 18869 4732 1 13 . 1 1 92 92 TYR C C 92 177.320 177.320 175.877 1.443 18869 4733 1 13 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.663 -1.855 18869 4734 1 13 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.388 0.813 18869 4735 1 13 . 1 1 92 92 TYR H H 92 8.420 8.420 8.220 0.200 18869 4736 1 13 . 1 1 93 93 ALA N N 93 120.159 120.159 118.026 2.133 18869 4737 1 13 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.302 -0.131 18869 4738 1 13 . 1 1 93 93 ALA C C 93 177.685 177.685 177.757 -0.072 18869 4739 1 13 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.996 -0.017 18869 4740 1 13 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.126 -0.615 18869 4741 1 13 . 1 1 93 93 ALA H H 93 7.929 7.929 7.649 0.280 18869 4742 1 13 . 1 1 94 94 GLY N N 94 108.770 108.770 106.700 2.070 18869 4743 1 13 . 1 1 94 94 GLY C C 94 174.896 174.896 174.867 0.029 18869 4744 1 13 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.163 0.719 18869 4745 1 13 . 1 1 94 94 GLY H H 94 8.311 8.311 7.767 0.544 18869 4746 1 13 . 1 1 95 95 SER N N 95 115.316 115.316 118.677 -3.361 18869 4747 1 13 . 1 1 95 95 SER HA H 95 4.774 4.774 4.503 0.271 18869 4748 1 13 . 1 1 95 95 SER C C 95 175.089 175.089 175.052 0.037 18869 4749 1 13 . 1 1 95 95 SER CA C 95 57.083 57.083 57.782 -0.699 18869 4750 1 13 . 1 1 95 95 SER CB C 95 62.543 62.543 62.347 0.196 18869 4751 1 13 . 1 1 95 95 SER H H 95 8.363 8.363 7.969 0.394 18869 4752 1 13 . 1 1 96 96 LYS N N 96 134.180 134.180 126.086 8.094 18869 4753 1 13 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.999 -0.015 18869 4754 1 13 . 1 1 96 96 LYS C C 96 178.195 178.195 178.002 0.193 18869 4755 1 13 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.636 0.261 18869 4756 1 13 . 1 1 96 96 LYS CB C 96 32.947 32.947 32.035 0.911 18869 4757 1 13 . 1 1 96 96 LYS H H 96 9.099 9.099 8.010 1.089 18869 4758 1 13 . 1 1 97 97 SER N N 97 113.650 113.650 116.550 -2.900 18869 4759 1 13 . 1 1 97 97 SER HA H 97 4.230 4.230 4.203 0.027 18869 4760 1 13 . 1 1 97 97 SER C C 97 177.304 177.304 176.171 1.133 18869 4761 1 13 . 1 1 97 97 SER CA C 97 61.152 61.152 61.532 -0.380 18869 4762 1 13 . 1 1 97 97 SER CB C 97 62.101 62.101 62.596 -0.495 18869 4763 1 13 . 1 1 97 97 SER H H 97 8.383 8.383 8.510 -0.127 18869 4764 1 13 . 1 1 98 98 ALA N N 98 126.790 126.790 124.690 2.100 18869 4765 1 13 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.152 -0.125 18869 4766 1 13 . 1 1 98 98 ALA C C 98 178.317 178.317 179.344 -1.027 18869 4767 1 13 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.567 0.740 18869 4768 1 13 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.348 1.410 18869 4769 1 13 . 1 1 98 98 ALA H H 98 7.771 7.771 8.051 -0.280 18869 4770 1 13 . 1 1 99 99 MET N N 99 119.910 119.910 119.528 0.382 18869 4771 1 13 . 1 1 99 99 MET HA H 99 3.944 3.944 4.086 -0.142 18869 4772 1 13 . 1 1 99 99 MET C C 99 178.584 178.584 178.043 0.541 18869 4773 1 13 . 1 1 99 99 MET CA C 99 59.584 59.584 59.072 0.512 18869 4774 1 13 . 1 1 99 99 MET H H 99 7.856 7.856 8.249 -0.393 18869 4775 1 13 . 1 1 100 100 GLU N N 100 118.105 118.105 119.876 -1.771 18869 4776 1 13 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.902 0.081 18869 4777 1 13 . 1 1 100 100 GLU C C 100 180.292 180.292 178.698 1.594 18869 4778 1 13 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.951 -0.517 18869 4779 1 13 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.400 -0.152 18869 4780 1 13 . 1 1 100 100 GLU H H 100 8.255 8.255 8.046 0.209 18869 4781 1 13 . 1 1 101 101 ARG N N 101 120.780 120.780 119.548 1.232 18869 4782 1 13 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.122 -0.089 18869 4783 1 13 . 1 1 101 101 ARG C C 101 180.619 180.619 178.947 1.672 18869 4784 1 13 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.459 2.338 18869 4785 1 13 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.948 0.857 18869 4786 1 13 . 1 1 101 101 ARG H H 101 7.973 7.973 7.719 0.254 18869 4787 1 13 . 1 1 102 102 LEU N N 102 125.866 125.866 120.686 5.180 18869 4788 1 13 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.158 -0.015 18869 4789 1 13 . 1 1 102 102 LEU C C 102 178.209 178.209 178.341 -0.132 18869 4790 1 13 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.896 1.296 18869 4791 1 13 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.789 0.031 18869 4792 1 13 . 1 1 102 102 LEU H H 102 8.781 8.781 8.373 0.408 18869 4793 1 13 . 1 1 103 103 LYS N N 103 118.426 118.426 118.951 -0.525 18869 4794 1 13 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.903 -0.055 18869 4795 1 13 . 1 1 103 103 LYS C C 103 179.666 179.666 178.942 0.724 18869 4796 1 13 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.368 0.231 18869 4797 1 13 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.165 0.566 18869 4798 1 13 . 1 1 103 103 LYS H H 103 8.573 8.573 8.286 0.287 18869 4799 1 13 . 1 1 104 104 ARG N N 104 117.936 117.936 119.921 -1.985 18869 4800 1 13 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.060 -0.010 18869 4801 1 13 . 1 1 104 104 ARG C C 104 179.190 179.190 178.655 0.535 18869 4802 1 13 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.295 0.241 18869 4803 1 13 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.080 -0.030 18869 4804 1 13 . 1 1 104 104 ARG H H 104 8.154 8.154 8.178 -0.024 18869 4805 1 13 . 1 1 105 105 GLY N N 105 110.339 110.339 107.650 2.689 18869 4806 1 13 . 1 1 105 105 GLY C C 105 174.974 174.974 176.267 -1.293 18869 4807 1 13 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.063 0.643 18869 4808 1 13 . 1 1 105 105 GLY H H 105 8.265 8.265 8.193 0.072 18869 4809 1 13 . 1 1 106 106 ILE N N 106 122.669 122.669 123.357 -0.688 18869 4810 1 13 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.823 -0.102 18869 4811 1 13 . 1 1 106 106 ILE C C 106 177.749 177.749 178.220 -0.471 18869 4812 1 13 . 1 1 106 106 ILE CA C 106 63.111 63.111 64.803 -1.692 18869 4813 1 13 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.328 -2.042 18869 4814 1 13 . 1 1 106 106 ILE H H 106 8.028 8.028 7.791 0.237 18869 4815 1 13 . 1 1 107 107 ILE N N 107 119.626 119.626 120.335 -0.709 18869 4816 1 13 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.518 0.134 18869 4817 1 13 . 1 1 107 107 ILE C C 107 179.292 179.292 177.781 1.511 18869 4818 1 13 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.785 -0.478 18869 4819 1 13 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.534 0.875 18869 4820 1 13 . 1 1 107 107 ILE H H 107 7.481 7.481 8.157 -0.676 18869 4821 1 13 . 1 1 108 108 HIS N N 108 120.644 120.644 119.892 0.752 18869 4822 1 13 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.043 0.659 18869 4823 1 13 . 1 1 108 108 HIS C C 108 177.121 177.121 177.224 -0.103 18869 4824 1 13 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.255 -1.690 18869 4825 1 13 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.478 -0.034 18869 4826 1 13 . 1 1 108 108 HIS H H 108 8.396 8.396 8.272 0.124 18869 4827 1 13 . 1 1 109 109 ALA N N 109 121.460 121.460 120.835 0.625 18869 4828 1 13 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.803 0.105 18869 4829 1 13 . 1 1 109 109 ALA C C 109 178.810 178.810 179.421 -0.611 18869 4830 1 13 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.050 0.525 18869 4831 1 13 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.215 -0.616 18869 4832 1 13 . 1 1 109 109 ALA H H 109 9.416 9.416 8.300 1.116 18869 4833 1 13 . 1 1 110 110 ARG N N 110 116.845 116.845 119.180 -2.335 18869 4834 1 13 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.092 -0.359 18869 4835 1 13 . 1 1 110 110 ARG C C 110 177.800 177.800 178.271 -0.471 18869 4836 1 13 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.660 1.771 18869 4837 1 13 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.020 0.870 18869 4838 1 13 . 1 1 110 110 ARG H H 110 8.579 8.579 8.286 0.293 18869 4839 1 13 . 1 1 111 111 ALA N N 111 120.689 120.689 121.914 -1.225 18869 4840 1 13 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.147 0.013 18869 4841 1 13 . 1 1 111 111 ALA C C 111 181.315 181.315 180.055 1.260 18869 4842 1 13 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.945 0.468 18869 4843 1 13 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.089 -0.023 18869 4844 1 13 . 1 1 111 111 ALA H H 111 7.808 7.808 7.582 0.226 18869 4845 1 13 . 1 1 112 112 LEU N N 112 119.511 119.511 118.655 0.856 18869 4846 1 13 . 1 1 112 112 LEU C C 112 179.788 179.788 179.510 0.278 18869 4847 1 13 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.729 0.268 18869 4848 1 13 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.727 1.146 18869 4849 1 13 . 1 1 112 112 LEU H H 112 8.308 8.308 7.536 0.772 18869 4850 1 13 . 1 1 113 113 VAL N N 113 119.879 119.879 117.531 2.348 18869 4851 1 13 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.765 -0.211 18869 4852 1 13 . 1 1 113 113 VAL C C 113 178.238 178.238 177.817 0.421 18869 4853 1 13 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.638 1.004 18869 4854 1 13 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.523 -0.146 18869 4855 1 13 . 1 1 113 113 VAL H H 113 8.502 8.502 7.641 0.861 18869 4856 1 13 . 1 1 114 114 ARG N N 114 118.928 118.928 119.318 -0.390 18869 4857 1 13 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.102 -0.113 18869 4858 1 13 . 1 1 114 114 ARG C C 114 179.368 179.368 178.348 1.020 18869 4859 1 13 . 1 1 114 114 ARG CA C 114 60.207 60.207 58.594 1.613 18869 4860 1 13 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.228 -0.656 18869 4861 1 13 . 1 1 114 114 ARG H H 114 8.335 8.335 7.741 0.594 18869 4862 1 13 . 1 1 115 115 GLU N N 115 120.444 120.444 119.140 1.304 18869 4863 1 13 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.207 0.001 18869 4864 1 13 . 1 1 115 115 GLU C C 115 178.931 178.931 178.936 -0.005 18869 4865 1 13 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.506 0.777 18869 4866 1 13 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.776 -0.675 18869 4867 1 13 . 1 1 115 115 GLU H H 115 7.971 7.971 8.004 -0.033 18869 4868 1 13 . 1 1 116 116 CYS N N 116 118.789 118.789 120.376 -1.587 18869 4869 1 13 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.263 -0.156 18869 4870 1 13 . 1 1 116 116 CYS C C 116 177.264 177.264 176.303 0.961 18869 4871 1 13 . 1 1 116 116 CYS CA C 116 62.959 62.959 61.053 1.906 18869 4872 1 13 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.394 0.213 18869 4873 1 13 . 1 1 116 116 CYS H H 116 7.989 7.989 7.709 0.280 18869 4874 1 13 . 1 1 117 117 LEU N N 117 120.670 120.670 119.793 0.877 18869 4875 1 13 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.832 0.116 18869 4876 1 13 . 1 1 117 117 LEU C C 117 178.291 178.291 178.565 -0.274 18869 4877 1 13 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.441 -0.171 18869 4878 1 13 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.416 0.817 18869 4879 1 13 . 1 1 117 117 LEU H H 117 8.028 8.028 7.740 0.288 18869 4880 1 13 . 1 1 118 118 ALA N N 118 122.520 122.520 121.093 1.427 18869 4881 1 13 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.002 0.202 18869 4882 1 13 . 1 1 118 118 ALA C C 118 179.805 179.805 178.923 0.882 18869 4883 1 13 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.101 -0.692 18869 4884 1 13 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.069 0.301 18869 4885 1 13 . 1 1 118 118 ALA H H 118 8.000 8.000 7.562 0.438 18869 4886 1 13 . 1 1 119 119 GLU N N 119 118.901 118.901 117.510 1.391 18869 4887 1 13 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.150 0.034 18869 4888 1 13 . 1 1 119 119 GLU C C 119 178.082 178.082 179.012 -0.930 18869 4889 1 13 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.628 -0.176 18869 4890 1 13 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.472 0.194 18869 4891 1 13 . 1 1 119 119 GLU H H 119 8.094 8.094 8.005 0.089 18869 4892 1 13 . 1 1 120 120 THR N N 120 113.828 113.828 116.768 -2.940 18869 4893 1 13 . 1 1 120 120 THR HA H 120 4.251 4.251 4.051 0.200 18869 4894 1 13 . 1 1 120 120 THR C C 120 176.051 176.051 176.424 -0.373 18869 4895 1 13 . 1 1 120 120 THR CA C 120 64.664 64.664 66.140 -1.476 18869 4896 1 13 . 1 1 120 120 THR CB C 120 69.543 69.543 68.671 0.872 18869 4897 1 13 . 1 1 120 120 THR H H 120 7.976 7.976 8.260 -0.284 18869 4898 1 13 . 1 1 121 121 GLU N N 121 121.927 121.927 121.899 0.028 18869 4899 1 13 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.066 0.178 18869 4900 1 13 . 1 1 121 121 GLU C C 121 177.730 177.730 177.281 0.449 18869 4901 1 13 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.169 -0.245 18869 4902 1 13 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.111 0.791 18869 4903 1 13 . 1 1 121 121 GLU H H 121 8.073 8.073 7.851 0.222 18869 4904 1 13 . 1 1 122 122 ARG N N 122 120.226 120.226 116.151 4.075 18869 4905 1 13 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.115 0.139 18869 4906 1 13 . 1 1 122 122 ARG C C 122 177.289 177.289 176.797 0.492 18869 4907 1 13 . 1 1 122 122 ARG CA C 122 57.711 57.711 56.886 0.825 18869 4908 1 13 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.202 0.620 18869 4909 1 13 . 1 1 122 122 ARG H H 122 8.081 8.081 7.406 0.675 18869 4910 1 13 . 1 1 123 123 ASN N N 123 118.062 118.062 118.820 -0.758 18869 4911 1 13 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.611 0.131 18869 4912 1 13 . 1 1 123 123 ASN C C 123 175.035 175.035 175.019 0.016 18869 4913 1 13 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.842 0.878 18869 4914 1 13 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.699 0.343 18869 4915 1 13 . 1 1 123 123 ASN H H 123 8.229 8.229 7.587 0.642 18869 4916 1 13 . 1 1 124 124 ALA N N 124 123.469 123.469 128.214 -4.745 18869 4917 1 13 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.170 0.222 18869 4918 1 13 . 1 1 124 124 ALA C C 124 177.587 177.587 177.648 -0.061 18869 4919 1 13 . 1 1 124 124 ALA CA C 124 52.779 52.779 53.775 -0.996 18869 4920 1 13 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.369 -0.004 18869 4921 1 13 . 1 1 124 124 ALA H H 124 7.989 7.989 8.010 -0.021 18869 4922 1 13 . 1 1 125 125 ARG N N 125 120.186 120.186 121.049 -0.863 18869 4923 1 13 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.448 0.038 18869 4924 1 13 . 1 1 125 125 ARG C C 125 175.804 175.804 175.295 0.509 18869 4925 1 13 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.022 1.230 18869 4926 1 13 . 1 1 125 125 ARG CB C 125 30.858 30.858 27.628 3.230 18869 4927 1 13 . 1 1 125 125 ARG H H 125 8.200 8.200 8.143 0.057 18869 4928 1 14 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.962 -0.225 18869 4929 1 14 . 1 1 59 59 HIS C C 59 174.845 174.845 174.541 0.304 18869 4930 1 14 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.225 1.207 18869 4931 1 14 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.666 -0.112 18869 4932 1 14 . 1 1 60 60 MET N N 60 121.666 121.666 119.779 1.887 18869 4933 1 14 . 1 1 60 60 MET HA H 60 4.462 4.462 4.558 -0.096 18869 4934 1 14 . 1 1 60 60 MET C C 60 175.495 175.495 175.554 -0.059 18869 4935 1 14 . 1 1 60 60 MET CA C 60 55.475 55.475 54.941 0.534 18869 4936 1 14 . 1 1 60 60 MET H H 60 8.324 8.324 8.051 0.273 18869 4937 1 14 . 1 1 61 61 ALA N N 61 125.934 125.934 125.926 0.008 18869 4938 1 14 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.567 -0.220 18869 4939 1 14 . 1 1 61 61 ALA C C 61 177.394 177.394 176.141 1.253 18869 4940 1 14 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.001 0.571 18869 4941 1 14 . 1 1 61 61 ALA CB C 61 19.475 19.475 20.924 -1.449 18869 4942 1 14 . 1 1 61 61 ALA H H 61 8.438 8.438 8.310 0.128 18869 4943 1 14 . 1 1 62 62 MET N N 62 120.125 120.125 121.133 -1.008 18869 4944 1 14 . 1 1 62 62 MET HA H 62 4.489 4.489 4.370 0.119 18869 4945 1 14 . 1 1 62 62 MET C C 62 175.850 175.850 176.029 -0.179 18869 4946 1 14 . 1 1 62 62 MET CA C 62 55.350 55.350 55.952 -0.602 18869 4947 1 14 . 1 1 62 62 MET H H 62 8.369 8.369 8.627 -0.258 18869 4948 1 14 . 1 1 63 63 LYS N N 63 124.280 124.280 117.119 7.161 18869 4949 1 14 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.073 0.572 18869 4950 1 14 . 1 1 63 63 LYS C C 63 173.722 173.722 174.238 -0.516 18869 4951 1 14 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.740 -1.498 18869 4952 1 14 . 1 1 63 63 LYS CB C 63 32.640 32.640 30.919 1.720 18869 4953 1 14 . 1 1 63 63 LYS H H 63 8.390 8.390 8.209 0.181 18869 4954 1 14 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.606 0.137 18869 4955 1 14 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.947 -0.391 18869 4956 1 14 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.598 -0.651 18869 4957 1 14 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.475 -0.012 18869 4958 1 14 . 1 1 65 65 PRO C C 65 177.677 177.677 177.330 0.347 18869 4959 1 14 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.459 0.019 18869 4960 1 14 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.036 0.053 18869 4961 1 14 . 1 1 66 66 GLY N N 66 109.177 109.177 109.956 -0.779 18869 4962 1 14 . 1 1 66 66 GLY C C 66 173.968 173.968 174.428 -0.460 18869 4963 1 14 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.298 0.950 18869 4964 1 14 . 1 1 66 66 GLY H H 66 8.501 8.501 8.215 0.286 18869 4965 1 14 . 1 1 67 67 ALA N N 67 123.867 123.867 126.036 -2.169 18869 4966 1 14 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.260 0.128 18869 4967 1 14 . 1 1 67 67 ALA C C 67 177.984 177.984 177.184 0.800 18869 4968 1 14 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.420 0.138 18869 4969 1 14 . 1 1 67 67 ALA CB C 67 19.392 19.392 17.409 1.983 18869 4970 1 14 . 1 1 67 67 ALA H H 67 8.224 8.224 8.590 -0.366 18869 4971 1 14 . 1 1 68 68 GLN N N 68 119.754 119.754 122.479 -2.725 18869 4972 1 14 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.419 -0.030 18869 4973 1 14 . 1 1 68 68 GLN C C 68 176.666 176.666 176.095 0.571 18869 4974 1 14 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.653 0.605 18869 4975 1 14 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.984 -0.473 18869 4976 1 14 . 1 1 68 68 GLN H H 68 8.540 8.540 8.170 0.370 18869 4977 1 14 . 1 1 69 69 GLY N N 69 110.258 110.258 110.645 -0.387 18869 4978 1 14 . 1 1 69 69 GLY C C 69 174.333 174.333 174.169 0.164 18869 4979 1 14 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.036 0.480 18869 4980 1 14 . 1 1 69 69 GLY H H 69 8.516 8.516 8.072 0.444 18869 4981 1 14 . 1 1 70 70 SER N N 70 116.141 116.141 117.554 -1.413 18869 4982 1 14 . 1 1 70 70 SER HA H 70 4.504 4.504 4.560 -0.056 18869 4983 1 14 . 1 1 70 70 SER C C 70 174.792 174.792 174.494 0.298 18869 4984 1 14 . 1 1 70 70 SER CA C 70 58.792 58.792 58.145 0.647 18869 4985 1 14 . 1 1 70 70 SER CB C 70 64.011 64.011 64.207 -0.196 18869 4986 1 14 . 1 1 70 70 SER H H 70 8.387 8.387 8.109 0.278 18869 4987 1 14 . 1 1 71 71 GLN N N 71 122.245 122.245 120.411 1.834 18869 4988 1 14 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.521 -0.117 18869 4989 1 14 . 1 1 71 71 GLN C C 71 176.805 176.805 176.464 0.341 18869 4990 1 14 . 1 1 71 71 GLN CA C 71 57.233 57.233 55.038 2.195 18869 4991 1 14 . 1 1 71 71 GLN CB C 71 29.111 29.111 27.065 2.046 18869 4992 1 14 . 1 1 71 71 GLN H H 71 8.639 8.639 8.500 0.139 18869 4993 1 14 . 1 1 72 72 SER N N 72 116.778 116.778 115.417 1.361 18869 4994 1 14 . 1 1 72 72 SER HA H 72 4.536 4.536 4.394 0.142 18869 4995 1 14 . 1 1 72 72 SER C C 72 175.305 175.305 175.681 -0.376 18869 4996 1 14 . 1 1 72 72 SER CA C 72 59.356 59.356 60.259 -0.903 18869 4997 1 14 . 1 1 72 72 SER CB C 72 63.977 63.977 63.166 0.811 18869 4998 1 14 . 1 1 72 72 SER H H 72 8.516 8.516 7.684 0.832 18869 4999 1 14 . 1 1 73 73 THR N N 73 119.063 119.063 117.328 1.735 18869 5000 1 14 . 1 1 73 73 THR HA H 73 4.045 4.045 4.164 -0.119 18869 5001 1 14 . 1 1 73 73 THR C C 73 176.016 176.016 175.817 0.199 18869 5002 1 14 . 1 1 73 73 THR CA C 73 65.705 65.705 65.334 0.371 18869 5003 1 14 . 1 1 73 73 THR CB C 73 68.743 68.743 69.006 -0.263 18869 5004 1 14 . 1 1 73 73 THR H H 73 8.305 8.305 8.289 0.016 18869 5005 1 14 . 1 1 74 74 TYR N N 74 118.707 118.707 121.075 -2.368 18869 5006 1 14 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.379 -0.105 18869 5007 1 14 . 1 1 74 74 TYR C C 74 177.613 177.613 177.257 0.356 18869 5008 1 14 . 1 1 74 74 TYR CA C 74 61.104 61.104 61.433 -0.329 18869 5009 1 14 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.109 0.007 18869 5010 1 14 . 1 1 74 74 TYR H H 74 7.905 7.905 8.300 -0.395 18869 5011 1 14 . 1 1 75 75 THR N N 75 114.583 114.583 114.841 -0.258 18869 5012 1 14 . 1 1 75 75 THR HA H 75 3.992 3.992 3.925 0.067 18869 5013 1 14 . 1 1 75 75 THR C C 75 177.381 177.381 176.399 0.982 18869 5014 1 14 . 1 1 75 75 THR CA C 75 66.363 66.363 66.796 -0.433 18869 5015 1 14 . 1 1 75 75 THR CB C 75 68.324 68.324 68.099 0.225 18869 5016 1 14 . 1 1 75 75 THR H H 75 8.027 8.027 7.630 0.397 18869 5017 1 14 . 1 1 76 76 ASP N N 76 124.495 124.495 122.273 2.222 18869 5018 1 14 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.287 0.210 18869 5019 1 14 . 1 1 76 76 ASP C C 76 178.510 178.510 177.755 0.755 18869 5020 1 14 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.635 -0.348 18869 5021 1 14 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.870 -0.641 18869 5022 1 14 . 1 1 76 76 ASP H H 76 8.293 8.293 7.598 0.695 18869 5023 1 14 . 1 1 77 77 LEU N N 77 121.803 121.803 120.832 0.971 18869 5024 1 14 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.819 0.184 18869 5025 1 14 . 1 1 77 77 LEU C C 77 177.976 177.976 177.864 0.112 18869 5026 1 14 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.728 0.296 18869 5027 1 14 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.411 0.511 18869 5028 1 14 . 1 1 77 77 LEU H H 77 8.301 8.301 7.243 1.058 18869 5029 1 14 . 1 1 78 78 LEU N N 78 119.070 119.070 118.408 0.662 18869 5030 1 14 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.783 0.254 18869 5031 1 14 . 1 1 78 78 LEU C C 78 179.095 179.095 178.504 0.591 18869 5032 1 14 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.931 0.715 18869 5033 1 14 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.412 -0.095 18869 5034 1 14 . 1 1 78 78 LEU H H 78 8.380 8.380 7.354 1.026 18869 5035 1 14 . 1 1 79 79 SER N N 79 114.297 114.297 115.128 -0.831 18869 5036 1 14 . 1 1 79 79 SER HA H 79 4.337 4.337 4.112 0.225 18869 5037 1 14 . 1 1 79 79 SER C C 79 176.729 176.729 176.562 0.167 18869 5038 1 14 . 1 1 79 79 SER CA C 79 62.031 62.031 62.431 -0.400 18869 5039 1 14 . 1 1 79 79 SER CB C 79 62.761 62.761 63.011 -0.250 18869 5040 1 14 . 1 1 79 79 SER H H 79 7.976 7.976 7.654 0.322 18869 5041 1 14 . 1 1 80 80 VAL N N 80 122.776 122.776 121.924 0.852 18869 5042 1 14 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.584 0.277 18869 5043 1 14 . 1 1 80 80 VAL C C 80 178.463 178.463 177.571 0.892 18869 5044 1 14 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.592 -0.397 18869 5045 1 14 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.071 0.841 18869 5046 1 14 . 1 1 80 80 VAL H H 80 8.126 8.126 8.038 0.088 18869 5047 1 14 . 1 1 81 81 ILE N N 81 121.312 121.312 119.705 1.607 18869 5048 1 14 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.649 0.146 18869 5049 1 14 . 1 1 81 81 ILE C C 81 177.475 177.475 178.374 -0.899 18869 5050 1 14 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.707 0.419 18869 5051 1 14 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.234 1.496 18869 5052 1 14 . 1 1 81 81 ILE H H 81 8.236 8.236 7.695 0.541 18869 5053 1 14 . 1 1 82 82 GLU N N 82 119.637 119.637 118.931 0.706 18869 5054 1 14 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.999 0.160 18869 5055 1 14 . 1 1 82 82 GLU C C 82 180.592 180.592 179.303 1.289 18869 5056 1 14 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.285 -0.107 18869 5057 1 14 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.108 0.159 18869 5058 1 14 . 1 1 82 82 GLU H H 82 8.326 8.326 8.337 -0.011 18869 5059 1 14 . 1 1 83 83 GLU N N 83 119.955 119.955 119.680 0.275 18869 5060 1 14 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.029 0.030 18869 5061 1 14 . 1 1 83 83 GLU C C 83 179.428 179.428 178.996 0.432 18869 5062 1 14 . 1 1 83 83 GLU CA C 83 59.590 59.590 59.147 0.443 18869 5063 1 14 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.684 -0.413 18869 5064 1 14 . 1 1 83 83 GLU H H 83 8.383 8.383 7.911 0.472 18869 5065 1 14 . 1 1 84 84 MET N N 84 118.367 118.367 118.534 -0.167 18869 5066 1 14 . 1 1 84 84 MET HA H 84 4.066 4.066 4.067 -0.001 18869 5067 1 14 . 1 1 84 84 MET C C 84 179.303 179.303 178.600 0.703 18869 5068 1 14 . 1 1 84 84 MET CA C 84 60.047 60.047 59.301 0.746 18869 5069 1 14 . 1 1 84 84 MET CB C 84 34.431 34.431 32.566 1.865 18869 5070 1 14 . 1 1 84 84 MET H H 84 8.335 8.335 8.347 -0.012 18869 5071 1 14 . 1 1 85 85 GLY N N 85 104.067 104.067 105.636 -1.569 18869 5072 1 14 . 1 1 85 85 GLY C C 85 176.612 176.612 175.103 1.509 18869 5073 1 14 . 1 1 85 85 GLY CA C 85 47.543 47.543 47.166 0.377 18869 5074 1 14 . 1 1 85 85 GLY H H 85 8.219 8.219 8.130 0.089 18869 5075 1 14 . 1 1 86 86 LYS N N 86 119.651 119.651 120.453 -0.802 18869 5076 1 14 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.186 0.087 18869 5077 1 14 . 1 1 86 86 LYS C C 86 177.390 177.390 179.452 -2.062 18869 5078 1 14 . 1 1 86 86 LYS CA C 86 58.481 58.481 59.320 -0.839 18869 5079 1 14 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.379 0.215 18869 5080 1 14 . 1 1 86 86 LYS H H 86 7.585 7.585 7.259 0.326 18869 5081 1 14 . 1 1 87 87 GLU N N 87 114.250 114.250 119.029 -4.779 18869 5082 1 14 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.211 0.974 18869 5083 1 14 . 1 1 87 87 GLU C C 87 179.381 179.381 178.602 0.779 18869 5084 1 14 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.196 -2.393 18869 5085 1 14 . 1 1 87 87 GLU CB C 87 29.632 29.632 28.613 1.019 18869 5086 1 14 . 1 1 87 87 GLU H H 87 7.710 7.710 7.691 0.019 18869 5087 1 14 . 1 1 88 88 ILE N N 88 122.587 122.587 120.516 2.071 18869 5088 1 14 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.687 -0.211 18869 5089 1 14 . 1 1 88 88 ILE C C 88 175.990 175.990 177.782 -1.792 18869 5090 1 14 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.066 2.445 18869 5091 1 14 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.390 0.568 18869 5092 1 14 . 1 1 88 88 ILE H H 88 7.471 7.471 7.624 -0.153 18869 5093 1 14 . 1 1 89 89 ARG N N 89 118.954 118.954 119.031 -0.077 18869 5094 1 14 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.362 0.007 18869 5095 1 14 . 1 1 89 89 ARG C C 89 176.834 176.834 176.176 0.658 18869 5096 1 14 . 1 1 89 89 ARG CA C 89 61.389 61.389 59.548 1.841 18869 5097 1 14 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.241 -0.344 18869 5098 1 14 . 1 1 89 89 ARG H H 89 8.983 8.983 7.540 1.443 18869 5099 1 14 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.406 0.131 18869 5100 1 14 . 1 1 90 90 PRO C C 90 178.848 178.848 178.431 0.417 18869 5101 1 14 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.602 0.368 18869 5102 1 14 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.264 -1.002 18869 5103 1 14 . 1 1 91 91 THR N N 91 118.284 118.284 116.172 2.112 18869 5104 1 14 . 1 1 91 91 THR HA H 91 4.461 4.461 4.167 0.294 18869 5105 1 14 . 1 1 91 91 THR C C 91 176.982 176.982 177.068 -0.086 18869 5106 1 14 . 1 1 91 91 THR CA C 91 67.247 67.247 67.067 0.180 18869 5107 1 14 . 1 1 91 91 THR CB C 91 69.454 69.454 68.867 0.587 18869 5108 1 14 . 1 1 91 91 THR H H 91 7.734 7.734 7.744 -0.010 18869 5109 1 14 . 1 1 92 92 TYR N N 92 123.739 123.739 122.737 1.002 18869 5110 1 14 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.197 0.647 18869 5111 1 14 . 1 1 92 92 TYR C C 92 177.320 177.320 175.871 1.449 18869 5112 1 14 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.689 -1.881 18869 5113 1 14 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.388 0.813 18869 5114 1 14 . 1 1 92 92 TYR H H 92 8.420 8.420 8.166 0.254 18869 5115 1 14 . 1 1 93 93 ALA N N 93 120.159 120.159 117.745 2.414 18869 5116 1 14 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.270 -0.099 18869 5117 1 14 . 1 1 93 93 ALA C C 93 177.685 177.685 177.959 -0.274 18869 5118 1 14 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.138 -0.159 18869 5119 1 14 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.126 -0.615 18869 5120 1 14 . 1 1 93 93 ALA H H 93 7.929 7.929 7.473 0.456 18869 5121 1 14 . 1 1 94 94 GLY N N 94 108.770 108.770 106.645 2.125 18869 5122 1 14 . 1 1 94 94 GLY C C 94 174.896 174.896 174.817 0.079 18869 5123 1 14 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.190 0.692 18869 5124 1 14 . 1 1 94 94 GLY H H 94 8.311 8.311 7.786 0.525 18869 5125 1 14 . 1 1 95 95 SER N N 95 115.316 115.316 119.060 -3.744 18869 5126 1 14 . 1 1 95 95 SER HA H 95 4.774 4.774 4.600 0.174 18869 5127 1 14 . 1 1 95 95 SER C C 95 175.089 175.089 174.930 0.159 18869 5128 1 14 . 1 1 95 95 SER CA C 95 57.083 57.083 57.437 -0.354 18869 5129 1 14 . 1 1 95 95 SER CB C 95 62.543 62.543 62.986 -0.444 18869 5130 1 14 . 1 1 95 95 SER H H 95 8.363 8.363 7.898 0.465 18869 5131 1 14 . 1 1 96 96 LYS N N 96 134.180 134.180 126.888 7.292 18869 5132 1 14 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.862 0.122 18869 5133 1 14 . 1 1 96 96 LYS C C 96 178.195 178.195 177.916 0.279 18869 5134 1 14 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.935 -0.038 18869 5135 1 14 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.976 0.971 18869 5136 1 14 . 1 1 96 96 LYS H H 96 9.099 9.099 8.095 1.004 18869 5137 1 14 . 1 1 97 97 SER N N 97 113.650 113.650 115.641 -1.991 18869 5138 1 14 . 1 1 97 97 SER HA H 97 4.230 4.230 4.343 -0.113 18869 5139 1 14 . 1 1 97 97 SER C C 97 177.304 177.304 176.179 1.125 18869 5140 1 14 . 1 1 97 97 SER CA C 97 61.152 61.152 60.828 0.324 18869 5141 1 14 . 1 1 97 97 SER CB C 97 62.101 62.101 62.515 -0.414 18869 5142 1 14 . 1 1 97 97 SER H H 97 8.383 8.383 8.164 0.219 18869 5143 1 14 . 1 1 98 98 ALA N N 98 126.790 126.790 123.559 3.231 18869 5144 1 14 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.168 -0.141 18869 5145 1 14 . 1 1 98 98 ALA C C 98 178.317 178.317 179.257 -0.940 18869 5146 1 14 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.561 0.746 18869 5147 1 14 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.538 1.220 18869 5148 1 14 . 1 1 98 98 ALA H H 98 7.771 7.771 7.487 0.284 18869 5149 1 14 . 1 1 99 99 MET N N 99 119.910 119.910 119.925 -0.015 18869 5150 1 14 . 1 1 99 99 MET HA H 99 3.944 3.944 4.196 -0.252 18869 5151 1 14 . 1 1 99 99 MET C C 99 178.584 178.584 178.055 0.529 18869 5152 1 14 . 1 1 99 99 MET CA C 99 59.584 59.584 57.973 1.611 18869 5153 1 14 . 1 1 99 99 MET H H 99 7.856 7.856 7.578 0.278 18869 5154 1 14 . 1 1 100 100 GLU N N 100 118.105 118.105 117.483 0.622 18869 5155 1 14 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.038 -0.055 18869 5156 1 14 . 1 1 100 100 GLU C C 100 180.292 180.292 179.052 1.240 18869 5157 1 14 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.307 0.127 18869 5158 1 14 . 1 1 100 100 GLU CB C 100 29.248 29.248 28.779 0.469 18869 5159 1 14 . 1 1 100 100 GLU H H 100 8.255 8.255 8.635 -0.380 18869 5160 1 14 . 1 1 101 101 ARG N N 101 120.780 120.780 118.978 1.802 18869 5161 1 14 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.255 -0.222 18869 5162 1 14 . 1 1 101 101 ARG C C 101 180.619 180.619 178.868 1.751 18869 5163 1 14 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.079 2.718 18869 5164 1 14 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.239 0.566 18869 5165 1 14 . 1 1 101 101 ARG H H 101 7.973 7.973 7.570 0.403 18869 5166 1 14 . 1 1 102 102 LEU N N 102 125.866 125.866 122.872 2.994 18869 5167 1 14 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.178 -0.035 18869 5168 1 14 . 1 1 102 102 LEU C C 102 178.209 178.209 177.828 0.381 18869 5169 1 14 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.565 1.627 18869 5170 1 14 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.835 -0.015 18869 5171 1 14 . 1 1 102 102 LEU H H 102 8.781 8.781 8.295 0.486 18869 5172 1 14 . 1 1 103 103 LYS N N 103 118.426 118.426 119.137 -0.711 18869 5173 1 14 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.880 -0.032 18869 5174 1 14 . 1 1 103 103 LYS C C 103 179.666 179.666 178.809 0.857 18869 5175 1 14 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.499 0.101 18869 5176 1 14 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.096 0.635 18869 5177 1 14 . 1 1 103 103 LYS H H 103 8.573 8.573 8.208 0.365 18869 5178 1 14 . 1 1 104 104 ARG N N 104 117.936 117.936 119.759 -1.823 18869 5179 1 14 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.058 -0.008 18869 5180 1 14 . 1 1 104 104 ARG C C 104 179.190 179.190 178.567 0.623 18869 5181 1 14 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.176 0.360 18869 5182 1 14 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.040 0.010 18869 5183 1 14 . 1 1 104 104 ARG H H 104 8.154 8.154 7.814 0.340 18869 5184 1 14 . 1 1 105 105 GLY N N 105 110.339 110.339 108.110 2.229 18869 5185 1 14 . 1 1 105 105 GLY C C 105 174.974 174.974 176.304 -1.330 18869 5186 1 14 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.097 0.609 18869 5187 1 14 . 1 1 105 105 GLY H H 105 8.265 8.265 7.831 0.434 18869 5188 1 14 . 1 1 106 106 ILE N N 106 122.669 122.669 123.454 -0.785 18869 5189 1 14 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.849 -0.128 18869 5190 1 14 . 1 1 106 106 ILE C C 106 177.749 177.749 178.312 -0.563 18869 5191 1 14 . 1 1 106 106 ILE CA C 106 63.111 63.111 64.039 -0.928 18869 5192 1 14 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.056 -1.770 18869 5193 1 14 . 1 1 106 106 ILE H H 106 8.028 8.028 7.890 0.138 18869 5194 1 14 . 1 1 107 107 ILE N N 107 119.626 119.626 119.602 0.024 18869 5195 1 14 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.527 0.125 18869 5196 1 14 . 1 1 107 107 ILE C C 107 179.292 179.292 177.938 1.354 18869 5197 1 14 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.791 -0.484 18869 5198 1 14 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.555 0.854 18869 5199 1 14 . 1 1 107 107 ILE H H 107 7.481 7.481 7.947 -0.466 18869 5200 1 14 . 1 1 108 108 HIS N N 108 120.644 120.644 119.536 1.108 18869 5201 1 14 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.213 0.489 18869 5202 1 14 . 1 1 108 108 HIS C C 108 177.121 177.121 177.104 0.017 18869 5203 1 14 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.282 -1.718 18869 5204 1 14 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.578 -0.134 18869 5205 1 14 . 1 1 108 108 HIS H H 108 8.396 8.396 8.187 0.209 18869 5206 1 14 . 1 1 109 109 ALA N N 109 121.460 121.460 121.814 -0.354 18869 5207 1 14 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.776 0.132 18869 5208 1 14 . 1 1 109 109 ALA C C 109 178.810 178.810 179.134 -0.324 18869 5209 1 14 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.180 0.395 18869 5210 1 14 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.265 -0.666 18869 5211 1 14 . 1 1 109 109 ALA H H 109 9.416 9.416 8.395 1.021 18869 5212 1 14 . 1 1 110 110 ARG N N 110 116.845 116.845 119.266 -2.421 18869 5213 1 14 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.050 -0.317 18869 5214 1 14 . 1 1 110 110 ARG C C 110 177.800 177.800 178.098 -0.298 18869 5215 1 14 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.074 1.357 18869 5216 1 14 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.278 0.612 18869 5217 1 14 . 1 1 110 110 ARG H H 110 8.579 8.579 8.281 0.298 18869 5218 1 14 . 1 1 111 111 ALA N N 111 120.689 120.689 121.249 -0.560 18869 5219 1 14 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.164 -0.004 18869 5220 1 14 . 1 1 111 111 ALA C C 111 181.315 181.315 179.732 1.583 18869 5221 1 14 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.838 0.575 18869 5222 1 14 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.169 -0.103 18869 5223 1 14 . 1 1 111 111 ALA H H 111 7.808 7.808 7.827 -0.019 18869 5224 1 14 . 1 1 112 112 LEU N N 112 119.511 119.511 118.652 0.859 18869 5225 1 14 . 1 1 112 112 LEU C C 112 179.788 179.788 178.856 0.932 18869 5226 1 14 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.270 0.728 18869 5227 1 14 . 1 1 112 112 LEU CB C 112 42.873 42.873 42.053 0.820 18869 5228 1 14 . 1 1 112 112 LEU H H 112 8.308 8.308 7.217 1.091 18869 5229 1 14 . 1 1 113 113 VAL N N 113 119.879 119.879 118.946 0.933 18869 5230 1 14 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.505 0.049 18869 5231 1 14 . 1 1 113 113 VAL C C 113 178.238 178.238 177.955 0.283 18869 5232 1 14 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.835 0.806 18869 5233 1 14 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.526 -0.150 18869 5234 1 14 . 1 1 113 113 VAL H H 113 8.502 8.502 7.973 0.529 18869 5235 1 14 . 1 1 114 114 ARG N N 114 118.928 118.928 118.757 0.171 18869 5236 1 14 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.003 -0.014 18869 5237 1 14 . 1 1 114 114 ARG C C 114 179.368 179.368 178.447 0.921 18869 5238 1 14 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.597 0.610 18869 5239 1 14 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.606 -1.034 18869 5240 1 14 . 1 1 114 114 ARG H H 114 8.335 8.335 8.168 0.167 18869 5241 1 14 . 1 1 115 115 GLU N N 115 120.444 120.444 119.035 1.409 18869 5242 1 14 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.257 -0.049 18869 5243 1 14 . 1 1 115 115 GLU C C 115 178.931 178.931 178.415 0.516 18869 5244 1 14 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.519 0.764 18869 5245 1 14 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.393 -0.292 18869 5246 1 14 . 1 1 115 115 GLU H H 115 7.971 7.971 7.970 0.001 18869 5247 1 14 . 1 1 116 116 CYS N N 116 118.789 118.789 118.411 0.378 18869 5248 1 14 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.571 -0.464 18869 5249 1 14 . 1 1 116 116 CYS C C 116 177.264 177.264 176.644 0.620 18869 5250 1 14 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.533 0.426 18869 5251 1 14 . 1 1 116 116 CYS CB C 116 26.607 26.607 28.045 -1.438 18869 5252 1 14 . 1 1 116 116 CYS H H 116 7.989 7.989 8.078 -0.089 18869 5253 1 14 . 1 1 117 117 LEU N N 117 120.670 120.670 121.189 -0.519 18869 5254 1 14 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.923 0.025 18869 5255 1 14 . 1 1 117 117 LEU C C 117 178.291 178.291 178.641 -0.350 18869 5256 1 14 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.913 -0.644 18869 5257 1 14 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.448 0.785 18869 5258 1 14 . 1 1 117 117 LEU H H 117 8.028 8.028 8.413 -0.385 18869 5259 1 14 . 1 1 118 118 ALA N N 118 122.520 122.520 121.203 1.317 18869 5260 1 14 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.986 0.218 18869 5261 1 14 . 1 1 118 118 ALA C C 118 179.805 179.805 179.438 0.367 18869 5262 1 14 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.203 -0.794 18869 5263 1 14 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.002 0.369 18869 5264 1 14 . 1 1 118 118 ALA H H 118 8.000 8.000 7.712 0.288 18869 5265 1 14 . 1 1 119 119 GLU N N 119 118.901 118.901 117.908 0.993 18869 5266 1 14 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.065 0.119 18869 5267 1 14 . 1 1 119 119 GLU C C 119 178.082 178.082 178.506 -0.424 18869 5268 1 14 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.853 -0.401 18869 5269 1 14 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.230 0.436 18869 5270 1 14 . 1 1 119 119 GLU H H 119 8.094 8.094 8.250 -0.156 18869 5271 1 14 . 1 1 120 120 THR N N 120 113.828 113.828 114.903 -1.075 18869 5272 1 14 . 1 1 120 120 THR HA H 120 4.251 4.251 4.149 0.102 18869 5273 1 14 . 1 1 120 120 THR C C 120 176.051 176.051 176.776 -0.725 18869 5274 1 14 . 1 1 120 120 THR CA C 120 64.664 64.664 65.724 -1.060 18869 5275 1 14 . 1 1 120 120 THR CB C 120 69.543 69.543 68.737 0.806 18869 5276 1 14 . 1 1 120 120 THR H H 120 7.976 7.976 8.050 -0.074 18869 5277 1 14 . 1 1 121 121 GLU N N 121 121.927 121.927 122.337 -0.410 18869 5278 1 14 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.101 0.143 18869 5279 1 14 . 1 1 121 121 GLU C C 121 177.730 177.730 178.221 -0.491 18869 5280 1 14 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.992 -1.068 18869 5281 1 14 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.390 0.512 18869 5282 1 14 . 1 1 121 121 GLU H H 121 8.073 8.073 7.775 0.298 18869 5283 1 14 . 1 1 122 122 ARG N N 122 120.226 120.226 117.410 2.816 18869 5284 1 14 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.176 0.078 18869 5285 1 14 . 1 1 122 122 ARG C C 122 177.289 177.289 176.947 0.342 18869 5286 1 14 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.150 0.561 18869 5287 1 14 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.006 0.816 18869 5288 1 14 . 1 1 122 122 ARG H H 122 8.081 8.081 7.636 0.445 18869 5289 1 14 . 1 1 123 123 ASN N N 123 118.062 118.062 118.220 -0.158 18869 5290 1 14 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.803 -0.061 18869 5291 1 14 . 1 1 123 123 ASN C C 123 175.035 175.035 174.761 0.274 18869 5292 1 14 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.100 1.620 18869 5293 1 14 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.135 0.907 18869 5294 1 14 . 1 1 123 123 ASN H H 123 8.229 8.229 7.581 0.648 18869 5295 1 14 . 1 1 124 124 ALA N N 124 123.469 123.469 122.387 1.082 18869 5296 1 14 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.442 -0.050 18869 5297 1 14 . 1 1 124 124 ALA C C 124 177.587 177.587 178.443 -0.856 18869 5298 1 14 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.822 0.957 18869 5299 1 14 . 1 1 124 124 ALA CB C 124 19.365 19.365 18.608 0.757 18869 5300 1 14 . 1 1 124 124 ALA H H 124 7.989 7.989 7.952 0.037 18869 5301 1 14 . 1 1 125 125 ARG N N 125 120.186 120.186 120.731 -0.545 18869 5302 1 14 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.078 0.408 18869 5303 1 14 . 1 1 125 125 ARG C C 125 175.804 175.804 175.721 0.083 18869 5304 1 14 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.967 -0.715 18869 5305 1 14 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.386 0.472 18869 5306 1 14 . 1 1 125 125 ARG H H 125 8.200 8.200 8.552 -0.352 18869 5307 1 15 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.877 -0.140 18869 5308 1 15 . 1 1 59 59 HIS C C 59 174.845 174.845 175.288 -0.443 18869 5309 1 15 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.570 0.862 18869 5310 1 15 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.759 -0.205 18869 5311 1 15 . 1 1 60 60 MET N N 60 121.666 121.666 120.665 1.001 18869 5312 1 15 . 1 1 60 60 MET HA H 60 4.462 4.462 4.536 -0.074 18869 5313 1 15 . 1 1 60 60 MET C C 60 175.495 175.495 176.389 -0.894 18869 5314 1 15 . 1 1 60 60 MET CA C 60 55.475 55.475 54.153 1.322 18869 5315 1 15 . 1 1 60 60 MET H H 60 8.324 8.324 8.444 -0.120 18869 5316 1 15 . 1 1 61 61 ALA N N 61 125.934 125.934 124.081 1.853 18869 5317 1 15 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.277 0.070 18869 5318 1 15 . 1 1 61 61 ALA C C 61 177.394 177.394 177.200 0.194 18869 5319 1 15 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.886 -0.314 18869 5320 1 15 . 1 1 61 61 ALA CB C 61 19.475 19.475 18.266 1.209 18869 5321 1 15 . 1 1 61 61 ALA H H 61 8.438 8.438 8.442 -0.004 18869 5322 1 15 . 1 1 62 62 MET N N 62 120.125 120.125 120.753 -0.628 18869 5323 1 15 . 1 1 62 62 MET HA H 62 4.489 4.489 4.515 -0.026 18869 5324 1 15 . 1 1 62 62 MET C C 62 175.850 175.850 176.049 -0.199 18869 5325 1 15 . 1 1 62 62 MET CA C 62 55.350 55.350 55.798 -0.448 18869 5326 1 15 . 1 1 62 62 MET H H 62 8.369 8.369 8.466 -0.097 18869 5327 1 15 . 1 1 63 63 LYS N N 63 124.280 124.280 121.480 2.800 18869 5328 1 15 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.651 -0.006 18869 5329 1 15 . 1 1 63 63 LYS C C 63 173.722 173.722 174.397 -0.675 18869 5330 1 15 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.494 -0.252 18869 5331 1 15 . 1 1 63 63 LYS CB C 63 32.640 32.640 32.596 0.044 18869 5332 1 15 . 1 1 63 63 LYS H H 63 8.390 8.390 7.568 0.822 18869 5333 1 15 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.684 0.059 18869 5334 1 15 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.937 -0.381 18869 5335 1 15 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.377 -0.430 18869 5336 1 15 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.459 0.004 18869 5337 1 15 . 1 1 65 65 PRO C C 65 177.677 177.677 177.048 0.629 18869 5338 1 15 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.949 0.529 18869 5339 1 15 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.351 -0.262 18869 5340 1 15 . 1 1 66 66 GLY N N 66 109.177 109.177 110.936 -1.759 18869 5341 1 15 . 1 1 66 66 GLY C C 66 173.968 173.968 173.456 0.512 18869 5342 1 15 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.779 0.469 18869 5343 1 15 . 1 1 66 66 GLY H H 66 8.501 8.501 8.334 0.167 18869 5344 1 15 . 1 1 67 67 ALA N N 67 123.867 123.867 122.111 1.756 18869 5345 1 15 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.459 -0.071 18869 5346 1 15 . 1 1 67 67 ALA C C 67 177.984 177.984 176.344 1.640 18869 5347 1 15 . 1 1 67 67 ALA CA C 67 52.558 52.558 51.682 0.876 18869 5348 1 15 . 1 1 67 67 ALA CB C 67 19.392 19.392 20.911 -1.519 18869 5349 1 15 . 1 1 67 67 ALA H H 67 8.224 8.224 8.060 0.164 18869 5350 1 15 . 1 1 68 68 GLN N N 68 119.754 119.754 123.552 -3.798 18869 5351 1 15 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.231 0.158 18869 5352 1 15 . 1 1 68 68 GLN C C 68 176.666 176.666 176.303 0.363 18869 5353 1 15 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.810 0.448 18869 5354 1 15 . 1 1 68 68 GLN CB C 68 29.511 29.511 28.633 0.878 18869 5355 1 15 . 1 1 68 68 GLN H H 68 8.540 8.540 8.628 -0.088 18869 5356 1 15 . 1 1 69 69 GLY N N 69 110.258 110.258 112.723 -2.465 18869 5357 1 15 . 1 1 69 69 GLY C C 69 174.333 174.333 174.921 -0.588 18869 5358 1 15 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.488 1.028 18869 5359 1 15 . 1 1 69 69 GLY H H 69 8.516 8.516 8.158 0.358 18869 5360 1 15 . 1 1 70 70 SER N N 70 116.141 116.141 116.112 0.029 18869 5361 1 15 . 1 1 70 70 SER HA H 70 4.504 4.504 4.238 0.266 18869 5362 1 15 . 1 1 70 70 SER C C 70 174.792 174.792 175.769 -0.977 18869 5363 1 15 . 1 1 70 70 SER CA C 70 58.792 58.792 59.712 -0.920 18869 5364 1 15 . 1 1 70 70 SER CB C 70 64.011 64.011 63.465 0.546 18869 5365 1 15 . 1 1 70 70 SER H H 70 8.387 8.387 8.580 -0.193 18869 5366 1 15 . 1 1 71 71 GLN N N 71 122.245 122.245 118.572 3.673 18869 5367 1 15 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.473 -0.069 18869 5368 1 15 . 1 1 71 71 GLN C C 71 176.805 176.805 176.634 0.171 18869 5369 1 15 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.090 1.143 18869 5370 1 15 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.157 0.954 18869 5371 1 15 . 1 1 71 71 GLN H H 71 8.639 8.639 8.480 0.159 18869 5372 1 15 . 1 1 72 72 SER N N 72 116.778 116.778 116.530 0.248 18869 5373 1 15 . 1 1 72 72 SER HA H 72 4.536 4.536 4.311 0.225 18869 5374 1 15 . 1 1 72 72 SER C C 72 175.305 175.305 175.762 -0.457 18869 5375 1 15 . 1 1 72 72 SER CA C 72 59.356 59.356 61.013 -1.657 18869 5376 1 15 . 1 1 72 72 SER CB C 72 63.977 63.977 62.947 1.030 18869 5377 1 15 . 1 1 72 72 SER H H 72 8.516 8.516 7.986 0.530 18869 5378 1 15 . 1 1 73 73 THR N N 73 119.063 119.063 117.129 1.934 18869 5379 1 15 . 1 1 73 73 THR HA H 73 4.045 4.045 4.290 -0.245 18869 5380 1 15 . 1 1 73 73 THR C C 73 176.016 176.016 175.849 0.167 18869 5381 1 15 . 1 1 73 73 THR CA C 73 65.705 65.705 65.036 0.669 18869 5382 1 15 . 1 1 73 73 THR CB C 73 68.743 68.743 69.158 -0.415 18869 5383 1 15 . 1 1 73 73 THR H H 73 8.305 8.305 8.368 -0.063 18869 5384 1 15 . 1 1 74 74 TYR N N 74 118.707 118.707 122.018 -3.311 18869 5385 1 15 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.474 -0.200 18869 5386 1 15 . 1 1 74 74 TYR C C 74 177.613 177.613 176.991 0.622 18869 5387 1 15 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.582 1.522 18869 5388 1 15 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.202 -0.085 18869 5389 1 15 . 1 1 74 74 TYR H H 74 7.905 7.905 8.241 -0.336 18869 5390 1 15 . 1 1 75 75 THR N N 75 114.583 114.583 116.573 -1.990 18869 5391 1 15 . 1 1 75 75 THR HA H 75 3.992 3.992 3.812 0.180 18869 5392 1 15 . 1 1 75 75 THR C C 75 177.381 177.381 175.651 1.730 18869 5393 1 15 . 1 1 75 75 THR CA C 75 66.363 66.363 66.805 -0.442 18869 5394 1 15 . 1 1 75 75 THR CB C 75 68.324 68.324 68.332 -0.008 18869 5395 1 15 . 1 1 75 75 THR H H 75 8.027 8.027 7.964 0.063 18869 5396 1 15 . 1 1 76 76 ASP N N 76 124.495 124.495 121.727 2.768 18869 5397 1 15 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.370 0.127 18869 5398 1 15 . 1 1 76 76 ASP C C 76 178.510 178.510 177.959 0.551 18869 5399 1 15 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.236 0.051 18869 5400 1 15 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.835 -0.606 18869 5401 1 15 . 1 1 76 76 ASP H H 76 8.293 8.293 7.536 0.757 18869 5402 1 15 . 1 1 77 77 LEU N N 77 121.803 121.803 120.406 1.397 18869 5403 1 15 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.881 0.122 18869 5404 1 15 . 1 1 77 77 LEU C C 77 177.976 177.976 177.591 0.385 18869 5405 1 15 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.661 0.363 18869 5406 1 15 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.544 0.378 18869 5407 1 15 . 1 1 77 77 LEU H H 77 8.301 8.301 7.121 1.180 18869 5408 1 15 . 1 1 78 78 LEU N N 78 119.070 119.070 119.074 -0.004 18869 5409 1 15 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.811 0.226 18869 5410 1 15 . 1 1 78 78 LEU C C 78 179.095 179.095 178.766 0.329 18869 5411 1 15 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.817 0.829 18869 5412 1 15 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.118 0.199 18869 5413 1 15 . 1 1 78 78 LEU H H 78 8.380 8.380 7.219 1.161 18869 5414 1 15 . 1 1 79 79 SER N N 79 114.297 114.297 114.502 -0.205 18869 5415 1 15 . 1 1 79 79 SER HA H 79 4.337 4.337 4.165 0.172 18869 5416 1 15 . 1 1 79 79 SER C C 79 176.729 176.729 176.610 0.119 18869 5417 1 15 . 1 1 79 79 SER CA C 79 62.031 62.031 61.395 0.636 18869 5418 1 15 . 1 1 79 79 SER CB C 79 62.761 62.761 62.636 0.125 18869 5419 1 15 . 1 1 79 79 SER H H 79 7.976 7.976 7.651 0.325 18869 5420 1 15 . 1 1 80 80 VAL N N 80 122.776 122.776 122.864 -0.088 18869 5421 1 15 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.658 0.203 18869 5422 1 15 . 1 1 80 80 VAL C C 80 178.463 178.463 178.235 0.228 18869 5423 1 15 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.482 -0.287 18869 5424 1 15 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.270 0.642 18869 5425 1 15 . 1 1 80 80 VAL H H 80 8.126 8.126 7.800 0.326 18869 5426 1 15 . 1 1 81 81 ILE N N 81 121.312 121.312 118.776 2.536 18869 5427 1 15 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.675 0.120 18869 5428 1 15 . 1 1 81 81 ILE C C 81 177.475 177.475 178.219 -0.744 18869 5429 1 15 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.961 1.164 18869 5430 1 15 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.015 1.715 18869 5431 1 15 . 1 1 81 81 ILE H H 81 8.236 8.236 7.842 0.394 18869 5432 1 15 . 1 1 82 82 GLU N N 82 119.637 119.637 120.254 -0.617 18869 5433 1 15 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.991 0.168 18869 5434 1 15 . 1 1 82 82 GLU C C 82 180.592 180.592 179.178 1.414 18869 5435 1 15 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.437 -0.259 18869 5436 1 15 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.373 -0.106 18869 5437 1 15 . 1 1 82 82 GLU H H 82 8.326 8.326 7.663 0.663 18869 5438 1 15 . 1 1 83 83 GLU N N 83 119.955 119.955 119.639 0.316 18869 5439 1 15 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.005 0.054 18869 5440 1 15 . 1 1 83 83 GLU C C 83 179.428 179.428 179.382 0.046 18869 5441 1 15 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.960 0.630 18869 5442 1 15 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.677 -0.406 18869 5443 1 15 . 1 1 83 83 GLU H H 83 8.383 8.383 8.134 0.249 18869 5444 1 15 . 1 1 84 84 MET N N 84 118.367 118.367 118.525 -0.158 18869 5445 1 15 . 1 1 84 84 MET HA H 84 4.066 4.066 4.052 0.014 18869 5446 1 15 . 1 1 84 84 MET C C 84 179.303 179.303 178.493 0.810 18869 5447 1 15 . 1 1 84 84 MET CA C 84 60.047 60.047 59.447 0.600 18869 5448 1 15 . 1 1 84 84 MET CB C 84 34.431 34.431 32.613 1.818 18869 5449 1 15 . 1 1 84 84 MET H H 84 8.335 8.335 8.386 -0.051 18869 5450 1 15 . 1 1 85 85 GLY N N 85 104.067 104.067 104.187 -0.120 18869 5451 1 15 . 1 1 85 85 GLY C C 85 176.612 176.612 174.901 1.711 18869 5452 1 15 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.538 1.004 18869 5453 1 15 . 1 1 85 85 GLY H H 85 8.219 8.219 7.976 0.243 18869 5454 1 15 . 1 1 86 86 LYS N N 86 119.651 119.651 119.424 0.227 18869 5455 1 15 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.212 0.061 18869 5456 1 15 . 1 1 86 86 LYS C C 86 177.390 177.390 178.390 -1.000 18869 5457 1 15 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.903 -0.422 18869 5458 1 15 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.661 -0.067 18869 5459 1 15 . 1 1 86 86 LYS H H 86 7.585 7.585 7.366 0.219 18869 5460 1 15 . 1 1 87 87 GLU N N 87 114.250 114.250 119.817 -5.567 18869 5461 1 15 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.206 0.979 18869 5462 1 15 . 1 1 87 87 GLU C C 87 179.381 179.381 178.484 0.897 18869 5463 1 15 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.882 -3.079 18869 5464 1 15 . 1 1 87 87 GLU CB C 87 29.632 29.632 28.474 1.158 18869 5465 1 15 . 1 1 87 87 GLU H H 87 7.710 7.710 7.667 0.043 18869 5466 1 15 . 1 1 88 88 ILE N N 88 122.587 122.587 121.159 1.428 18869 5467 1 15 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.647 -0.171 18869 5468 1 15 . 1 1 88 88 ILE C C 88 175.990 175.990 177.618 -1.628 18869 5469 1 15 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.295 2.216 18869 5470 1 15 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.590 0.368 18869 5471 1 15 . 1 1 88 88 ILE H H 88 7.471 7.471 7.643 -0.172 18869 5472 1 15 . 1 1 89 89 ARG N N 89 118.954 118.954 120.396 -1.442 18869 5473 1 15 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.276 0.093 18869 5474 1 15 . 1 1 89 89 ARG C C 89 176.834 176.834 175.643 1.191 18869 5475 1 15 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.572 -0.182 18869 5476 1 15 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.607 -1.709 18869 5477 1 15 . 1 1 89 89 ARG H H 89 8.983 8.983 7.681 1.302 18869 5478 1 15 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.337 0.200 18869 5479 1 15 . 1 1 90 90 PRO C C 90 178.848 178.848 178.486 0.362 18869 5480 1 15 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.593 0.377 18869 5481 1 15 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.234 -0.972 18869 5482 1 15 . 1 1 91 91 THR N N 91 118.284 118.284 116.192 2.092 18869 5483 1 15 . 1 1 91 91 THR HA H 91 4.461 4.461 4.233 0.228 18869 5484 1 15 . 1 1 91 91 THR C C 91 176.982 176.982 177.261 -0.279 18869 5485 1 15 . 1 1 91 91 THR CA C 91 67.247 67.247 67.495 -0.248 18869 5486 1 15 . 1 1 91 91 THR CB C 91 69.454 69.454 68.568 0.886 18869 5487 1 15 . 1 1 91 91 THR H H 91 7.734 7.734 7.854 -0.120 18869 5488 1 15 . 1 1 92 92 TYR N N 92 123.739 123.739 123.262 0.477 18869 5489 1 15 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.208 0.636 18869 5490 1 15 . 1 1 92 92 TYR C C 92 177.320 177.320 176.040 1.280 18869 5491 1 15 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.683 -1.875 18869 5492 1 15 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.234 0.967 18869 5493 1 15 . 1 1 92 92 TYR H H 92 8.420 8.420 8.228 0.192 18869 5494 1 15 . 1 1 93 93 ALA N N 93 120.159 120.159 118.685 1.474 18869 5495 1 15 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.147 0.024 18869 5496 1 15 . 1 1 93 93 ALA C C 93 177.685 177.685 177.563 0.122 18869 5497 1 15 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.305 -0.326 18869 5498 1 15 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.276 -0.765 18869 5499 1 15 . 1 1 93 93 ALA H H 93 7.929 7.929 7.632 0.297 18869 5500 1 15 . 1 1 94 94 GLY N N 94 108.770 108.770 106.342 2.428 18869 5501 1 15 . 1 1 94 94 GLY C C 94 174.896 174.896 174.833 0.063 18869 5502 1 15 . 1 1 94 94 GLY CA C 94 45.882 45.882 44.740 1.142 18869 5503 1 15 . 1 1 94 94 GLY H H 94 8.311 8.311 7.721 0.590 18869 5504 1 15 . 1 1 95 95 SER N N 95 115.316 115.316 119.872 -4.556 18869 5505 1 15 . 1 1 95 95 SER HA H 95 4.774 4.774 4.473 0.301 18869 5506 1 15 . 1 1 95 95 SER C C 95 175.089 175.089 174.843 0.246 18869 5507 1 15 . 1 1 95 95 SER CA C 95 57.083 57.083 58.455 -1.372 18869 5508 1 15 . 1 1 95 95 SER CB C 95 62.543 62.543 62.860 -0.317 18869 5509 1 15 . 1 1 95 95 SER H H 95 8.363 8.363 7.991 0.372 18869 5510 1 15 . 1 1 96 96 LYS N N 96 134.180 134.180 126.499 7.681 18869 5511 1 15 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.018 -0.034 18869 5512 1 15 . 1 1 96 96 LYS C C 96 178.195 178.195 177.705 0.490 18869 5513 1 15 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.335 0.562 18869 5514 1 15 . 1 1 96 96 LYS CB C 96 32.947 32.947 32.132 0.815 18869 5515 1 15 . 1 1 96 96 LYS H H 96 9.099 9.099 7.958 1.141 18869 5516 1 15 . 1 1 97 97 SER N N 97 113.650 113.650 115.329 -1.679 18869 5517 1 15 . 1 1 97 97 SER HA H 97 4.230 4.230 4.191 0.039 18869 5518 1 15 . 1 1 97 97 SER C C 97 177.304 177.304 176.205 1.099 18869 5519 1 15 . 1 1 97 97 SER CA C 97 61.152 61.152 60.818 0.334 18869 5520 1 15 . 1 1 97 97 SER CB C 97 62.101 62.101 62.364 -0.263 18869 5521 1 15 . 1 1 97 97 SER H H 97 8.383 8.383 8.411 -0.028 18869 5522 1 15 . 1 1 98 98 ALA N N 98 126.790 126.790 123.920 2.870 18869 5523 1 15 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.207 -0.180 18869 5524 1 15 . 1 1 98 98 ALA C C 98 178.317 178.317 179.356 -1.039 18869 5525 1 15 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.295 1.012 18869 5526 1 15 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.285 1.472 18869 5527 1 15 . 1 1 98 98 ALA H H 98 7.771 7.771 7.980 -0.209 18869 5528 1 15 . 1 1 99 99 MET N N 99 119.910 119.910 119.828 0.082 18869 5529 1 15 . 1 1 99 99 MET HA H 99 3.944 3.944 4.302 -0.358 18869 5530 1 15 . 1 1 99 99 MET C C 99 178.584 178.584 178.144 0.440 18869 5531 1 15 . 1 1 99 99 MET CA C 99 59.584 59.584 57.855 1.729 18869 5532 1 15 . 1 1 99 99 MET H H 99 7.856 7.856 7.960 -0.104 18869 5533 1 15 . 1 1 100 100 GLU N N 100 118.105 118.105 119.764 -1.659 18869 5534 1 15 . 1 1 100 100 GLU HA H 100 3.983 3.983 4.080 -0.097 18869 5535 1 15 . 1 1 100 100 GLU C C 100 180.292 180.292 178.860 1.432 18869 5536 1 15 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.269 0.165 18869 5537 1 15 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.248 -0.000 18869 5538 1 15 . 1 1 100 100 GLU H H 100 8.255 8.255 8.273 -0.018 18869 5539 1 15 . 1 1 101 101 ARG N N 101 120.780 120.780 120.145 0.635 18869 5540 1 15 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.175 -0.142 18869 5541 1 15 . 1 1 101 101 ARG C C 101 180.619 180.619 178.786 1.833 18869 5542 1 15 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.278 2.519 18869 5543 1 15 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.733 1.072 18869 5544 1 15 . 1 1 101 101 ARG H H 101 7.973 7.973 7.667 0.306 18869 5545 1 15 . 1 1 102 102 LEU N N 102 125.866 125.866 120.514 5.352 18869 5546 1 15 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.157 -0.014 18869 5547 1 15 . 1 1 102 102 LEU C C 102 178.209 178.209 178.103 0.106 18869 5548 1 15 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.864 1.328 18869 5549 1 15 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.840 -0.020 18869 5550 1 15 . 1 1 102 102 LEU H H 102 8.781 8.781 8.064 0.717 18869 5551 1 15 . 1 1 103 103 LYS N N 103 118.426 118.426 119.167 -0.741 18869 5552 1 15 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.867 -0.019 18869 5553 1 15 . 1 1 103 103 LYS C C 103 179.666 179.666 178.898 0.768 18869 5554 1 15 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.396 0.204 18869 5555 1 15 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.108 0.622 18869 5556 1 15 . 1 1 103 103 LYS H H 103 8.573 8.573 8.214 0.359 18869 5557 1 15 . 1 1 104 104 ARG N N 104 117.936 117.936 119.861 -1.925 18869 5558 1 15 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.004 0.046 18869 5559 1 15 . 1 1 104 104 ARG C C 104 179.190 179.190 178.462 0.728 18869 5560 1 15 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.209 0.327 18869 5561 1 15 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.024 0.026 18869 5562 1 15 . 1 1 104 104 ARG H H 104 8.154 8.154 8.091 0.063 18869 5563 1 15 . 1 1 105 105 GLY N N 105 110.339 110.339 107.775 2.564 18869 5564 1 15 . 1 1 105 105 GLY C C 105 174.974 174.974 176.012 -1.038 18869 5565 1 15 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.272 0.434 18869 5566 1 15 . 1 1 105 105 GLY H H 105 8.265 8.265 8.205 0.060 18869 5567 1 15 . 1 1 106 106 ILE N N 106 122.669 122.669 123.215 -0.546 18869 5568 1 15 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.879 -0.158 18869 5569 1 15 . 1 1 106 106 ILE C C 106 177.749 177.749 178.322 -0.573 18869 5570 1 15 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.408 -0.298 18869 5571 1 15 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.068 -1.782 18869 5572 1 15 . 1 1 106 106 ILE H H 106 8.028 8.028 7.553 0.475 18869 5573 1 15 . 1 1 107 107 ILE N N 107 119.626 119.626 119.801 -0.175 18869 5574 1 15 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.618 0.034 18869 5575 1 15 . 1 1 107 107 ILE C C 107 179.292 179.292 177.816 1.476 18869 5576 1 15 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.134 0.173 18869 5577 1 15 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.381 1.028 18869 5578 1 15 . 1 1 107 107 ILE H H 107 7.481 7.481 7.877 -0.396 18869 5579 1 15 . 1 1 108 108 HIS N N 108 120.644 120.644 119.917 0.727 18869 5580 1 15 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.164 0.538 18869 5581 1 15 . 1 1 108 108 HIS C C 108 177.121 177.121 177.266 -0.145 18869 5582 1 15 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.474 -1.911 18869 5583 1 15 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.509 -0.065 18869 5584 1 15 . 1 1 108 108 HIS H H 108 8.396 8.396 8.256 0.140 18869 5585 1 15 . 1 1 109 109 ALA N N 109 121.460 121.460 121.015 0.445 18869 5586 1 15 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.922 -0.014 18869 5587 1 15 . 1 1 109 109 ALA C C 109 178.810 178.810 179.564 -0.754 18869 5588 1 15 . 1 1 109 109 ALA CA C 109 55.575 55.575 54.993 0.582 18869 5589 1 15 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.259 -0.660 18869 5590 1 15 . 1 1 109 109 ALA H H 109 9.416 9.416 8.452 0.964 18869 5591 1 15 . 1 1 110 110 ARG N N 110 116.845 116.845 119.799 -2.954 18869 5592 1 15 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.059 -0.326 18869 5593 1 15 . 1 1 110 110 ARG C C 110 177.800 177.800 178.260 -0.460 18869 5594 1 15 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.361 2.070 18869 5595 1 15 . 1 1 110 110 ARG CB C 110 30.890 30.890 29.767 1.123 18869 5596 1 15 . 1 1 110 110 ARG H H 110 8.579 8.579 8.387 0.192 18869 5597 1 15 . 1 1 111 111 ALA N N 111 120.689 120.689 121.540 -0.851 18869 5598 1 15 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.204 -0.044 18869 5599 1 15 . 1 1 111 111 ALA C C 111 181.315 181.315 180.031 1.284 18869 5600 1 15 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.918 0.495 18869 5601 1 15 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.165 -0.099 18869 5602 1 15 . 1 1 111 111 ALA H H 111 7.808 7.808 7.908 -0.100 18869 5603 1 15 . 1 1 112 112 LEU N N 112 119.511 119.511 118.730 0.781 18869 5604 1 15 . 1 1 112 112 LEU C C 112 179.788 179.788 179.252 0.536 18869 5605 1 15 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.697 0.300 18869 5606 1 15 . 1 1 112 112 LEU CB C 112 42.873 42.873 42.033 0.840 18869 5607 1 15 . 1 1 112 112 LEU H H 112 8.308 8.308 7.647 0.661 18869 5608 1 15 . 1 1 113 113 VAL N N 113 119.879 119.879 118.765 1.114 18869 5609 1 15 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.665 -0.111 18869 5610 1 15 . 1 1 113 113 VAL C C 113 178.238 178.238 177.902 0.336 18869 5611 1 15 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.762 0.879 18869 5612 1 15 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.661 -0.285 18869 5613 1 15 . 1 1 113 113 VAL H H 113 8.502 8.502 8.123 0.379 18869 5614 1 15 . 1 1 114 114 ARG N N 114 118.928 118.928 118.917 0.011 18869 5615 1 15 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.033 -0.044 18869 5616 1 15 . 1 1 114 114 ARG C C 114 179.368 179.368 177.841 1.527 18869 5617 1 15 . 1 1 114 114 ARG CA C 114 60.207 60.207 58.854 1.353 18869 5618 1 15 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.231 -0.659 18869 5619 1 15 . 1 1 114 114 ARG H H 114 8.335 8.335 8.025 0.310 18869 5620 1 15 . 1 1 115 115 GLU N N 115 120.444 120.444 117.937 2.507 18869 5621 1 15 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.266 -0.058 18869 5622 1 15 . 1 1 115 115 GLU C C 115 178.931 178.931 178.325 0.606 18869 5623 1 15 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.318 0.966 18869 5624 1 15 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.898 -0.797 18869 5625 1 15 . 1 1 115 115 GLU H H 115 7.971 7.971 7.756 0.215 18869 5626 1 15 . 1 1 116 116 CYS N N 116 118.789 118.789 118.635 0.154 18869 5627 1 15 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.262 -0.155 18869 5628 1 15 . 1 1 116 116 CYS C C 116 177.264 177.264 176.820 0.444 18869 5629 1 15 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.777 0.182 18869 5630 1 15 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.259 -0.652 18869 5631 1 15 . 1 1 116 116 CYS H H 116 7.989 7.989 7.802 0.187 18869 5632 1 15 . 1 1 117 117 LEU N N 117 120.670 120.670 120.205 0.465 18869 5633 1 15 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.986 -0.038 18869 5634 1 15 . 1 1 117 117 LEU C C 117 178.291 178.291 178.164 0.127 18869 5635 1 15 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.422 -0.153 18869 5636 1 15 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.380 0.853 18869 5637 1 15 . 1 1 117 117 LEU H H 117 8.028 8.028 7.987 0.041 18869 5638 1 15 . 1 1 118 118 ALA N N 118 122.520 122.520 120.132 2.388 18869 5639 1 15 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.065 0.139 18869 5640 1 15 . 1 1 118 118 ALA C C 118 179.805 179.805 179.790 0.015 18869 5641 1 15 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.598 -0.189 18869 5642 1 15 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.496 -0.126 18869 5643 1 15 . 1 1 118 118 ALA H H 118 8.000 8.000 7.306 0.694 18869 5644 1 15 . 1 1 119 119 GLU N N 119 118.901 118.901 117.786 1.115 18869 5645 1 15 . 1 1 119 119 GLU HA H 119 4.184 4.184 3.952 0.232 18869 5646 1 15 . 1 1 119 119 GLU C C 119 178.082 178.082 178.875 -0.793 18869 5647 1 15 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.895 -0.443 18869 5648 1 15 . 1 1 119 119 GLU CB C 119 29.666 29.666 28.641 1.025 18869 5649 1 15 . 1 1 119 119 GLU H H 119 8.094 8.094 8.234 -0.140 18869 5650 1 15 . 1 1 120 120 THR N N 120 113.828 113.828 115.496 -1.668 18869 5651 1 15 . 1 1 120 120 THR HA H 120 4.251 4.251 3.959 0.292 18869 5652 1 15 . 1 1 120 120 THR C C 120 176.051 176.051 176.615 -0.564 18869 5653 1 15 . 1 1 120 120 THR CA C 120 64.664 64.664 65.505 -0.841 18869 5654 1 15 . 1 1 120 120 THR CB C 120 69.543 69.543 68.276 1.267 18869 5655 1 15 . 1 1 120 120 THR H H 120 7.976 7.976 7.711 0.265 18869 5656 1 15 . 1 1 121 121 GLU N N 121 121.927 121.927 121.286 0.641 18869 5657 1 15 . 1 1 121 121 GLU HA H 121 4.244 4.244 3.993 0.251 18869 5658 1 15 . 1 1 121 121 GLU C C 121 177.730 177.730 177.790 -0.060 18869 5659 1 15 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.559 -0.635 18869 5660 1 15 . 1 1 121 121 GLU CB C 121 29.902 29.902 28.459 1.443 18869 5661 1 15 . 1 1 121 121 GLU H H 121 8.073 8.073 7.629 0.444 18869 5662 1 15 . 1 1 122 122 ARG N N 122 120.226 120.226 118.941 1.285 18869 5663 1 15 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.141 0.113 18869 5664 1 15 . 1 1 122 122 ARG C C 122 177.289 177.289 177.086 0.203 18869 5665 1 15 . 1 1 122 122 ARG CA C 122 57.711 57.711 56.521 1.190 18869 5666 1 15 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.409 0.413 18869 5667 1 15 . 1 1 122 122 ARG H H 122 8.081 8.081 7.694 0.387 18869 5668 1 15 . 1 1 123 123 ASN N N 123 118.062 118.062 119.492 -1.430 18869 5669 1 15 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.571 0.171 18869 5670 1 15 . 1 1 123 123 ASN C C 123 175.035 175.035 174.935 0.100 18869 5671 1 15 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.995 0.725 18869 5672 1 15 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.085 0.957 18869 5673 1 15 . 1 1 123 123 ASN H H 123 8.229 8.229 7.719 0.510 18869 5674 1 15 . 1 1 124 124 ALA N N 124 123.469 123.469 128.439 -4.970 18869 5675 1 15 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.184 0.208 18869 5676 1 15 . 1 1 124 124 ALA C C 124 177.587 177.587 177.573 0.014 18869 5677 1 15 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.666 0.113 18869 5678 1 15 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.533 -0.168 18869 5679 1 15 . 1 1 124 124 ALA H H 124 7.989 7.989 7.970 0.019 18869 5680 1 15 . 1 1 125 125 ARG N N 125 120.186 120.186 123.901 -3.715 18869 5681 1 15 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.353 0.133 18869 5682 1 15 . 1 1 125 125 ARG C C 125 175.804 175.804 175.450 0.354 18869 5683 1 15 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.986 0.266 18869 5684 1 15 . 1 1 125 125 ARG CB C 125 30.858 30.858 28.915 1.943 18869 5685 1 15 . 1 1 125 125 ARG H H 125 8.200 8.200 8.699 -0.499 18869 5686 1 16 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.501 0.236 18869 5687 1 16 . 1 1 59 59 HIS C C 59 174.845 174.845 174.484 0.361 18869 5688 1 16 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.242 0.190 18869 5689 1 16 . 1 1 59 59 HIS CB C 59 30.554 30.554 28.558 1.996 18869 5690 1 16 . 1 1 60 60 MET N N 60 121.666 121.666 121.539 0.127 18869 5691 1 16 . 1 1 60 60 MET HA H 60 4.462 4.462 4.878 -0.416 18869 5692 1 16 . 1 1 60 60 MET C C 60 175.495 175.495 174.862 0.633 18869 5693 1 16 . 1 1 60 60 MET CA C 60 55.475 55.475 54.957 0.518 18869 5694 1 16 . 1 1 60 60 MET H H 60 8.324 8.324 7.876 0.448 18869 5695 1 16 . 1 1 61 61 ALA N N 61 125.934 125.934 127.765 -1.831 18869 5696 1 16 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.682 -0.335 18869 5697 1 16 . 1 1 61 61 ALA C C 61 177.394 177.394 177.575 -0.181 18869 5698 1 16 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.649 0.923 18869 5699 1 16 . 1 1 61 61 ALA CB C 61 19.475 19.475 20.461 -0.986 18869 5700 1 16 . 1 1 61 61 ALA H H 61 8.438 8.438 8.381 0.057 18869 5701 1 16 . 1 1 62 62 MET N N 62 120.125 120.125 121.170 -1.045 18869 5702 1 16 . 1 1 62 62 MET HA H 62 4.489 4.489 4.333 0.156 18869 5703 1 16 . 1 1 62 62 MET C C 62 175.850 175.850 176.544 -0.694 18869 5704 1 16 . 1 1 62 62 MET CA C 62 55.350 55.350 55.657 -0.307 18869 5705 1 16 . 1 1 62 62 MET H H 62 8.369 8.369 8.394 -0.025 18869 5706 1 16 . 1 1 63 63 LYS N N 63 124.280 124.280 118.958 5.322 18869 5707 1 16 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.182 0.463 18869 5708 1 16 . 1 1 63 63 LYS C C 63 173.722 173.722 174.265 -0.543 18869 5709 1 16 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.998 -1.756 18869 5710 1 16 . 1 1 63 63 LYS CB C 63 32.640 32.640 30.582 2.058 18869 5711 1 16 . 1 1 63 63 LYS H H 63 8.390 8.390 8.246 0.144 18869 5712 1 16 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.567 0.176 18869 5713 1 16 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.790 -0.234 18869 5714 1 16 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.644 -0.697 18869 5715 1 16 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.392 0.071 18869 5716 1 16 . 1 1 65 65 PRO C C 65 177.677 177.677 177.490 0.187 18869 5717 1 16 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.867 0.611 18869 5718 1 16 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.813 0.276 18869 5719 1 16 . 1 1 66 66 GLY N N 66 109.177 109.177 113.038 -3.861 18869 5720 1 16 . 1 1 66 66 GLY C C 66 173.968 173.968 174.129 -0.161 18869 5721 1 16 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.588 0.660 18869 5722 1 16 . 1 1 66 66 GLY H H 66 8.501 8.501 8.563 -0.062 18869 5723 1 16 . 1 1 67 67 ALA N N 67 123.867 123.867 126.535 -2.668 18869 5724 1 16 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.312 0.076 18869 5725 1 16 . 1 1 67 67 ALA C C 67 177.984 177.984 177.103 0.881 18869 5726 1 16 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.533 0.025 18869 5727 1 16 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.651 -0.259 18869 5728 1 16 . 1 1 67 67 ALA H H 67 8.224 8.224 7.692 0.532 18869 5729 1 16 . 1 1 68 68 GLN N N 68 119.754 119.754 121.248 -1.494 18869 5730 1 16 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.390 -0.001 18869 5731 1 16 . 1 1 68 68 GLN C C 68 176.666 176.666 176.316 0.350 18869 5732 1 16 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.767 0.492 18869 5733 1 16 . 1 1 68 68 GLN CB C 68 29.511 29.511 30.816 -1.305 18869 5734 1 16 . 1 1 68 68 GLN H H 68 8.540 8.540 8.289 0.251 18869 5735 1 16 . 1 1 69 69 GLY N N 69 110.258 110.258 113.346 -3.088 18869 5736 1 16 . 1 1 69 69 GLY C C 69 174.333 174.333 174.711 -0.378 18869 5737 1 16 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.247 0.269 18869 5738 1 16 . 1 1 69 69 GLY H H 69 8.516 8.516 8.767 -0.251 18869 5739 1 16 . 1 1 70 70 SER N N 70 116.141 116.141 116.945 -0.804 18869 5740 1 16 . 1 1 70 70 SER HA H 70 4.504 4.504 4.425 0.079 18869 5741 1 16 . 1 1 70 70 SER C C 70 174.792 174.792 174.974 -0.182 18869 5742 1 16 . 1 1 70 70 SER CA C 70 58.792 58.792 58.455 0.337 18869 5743 1 16 . 1 1 70 70 SER CB C 70 64.011 64.011 63.472 0.539 18869 5744 1 16 . 1 1 70 70 SER H H 70 8.387 8.387 7.713 0.674 18869 5745 1 16 . 1 1 71 71 GLN N N 71 122.245 122.245 117.765 4.480 18869 5746 1 16 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.056 0.348 18869 5747 1 16 . 1 1 71 71 GLN C C 71 176.805 176.805 175.912 0.893 18869 5748 1 16 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.739 0.494 18869 5749 1 16 . 1 1 71 71 GLN CB C 71 29.111 29.111 26.812 2.299 18869 5750 1 16 . 1 1 71 71 GLN H H 71 8.639 8.639 8.049 0.590 18869 5751 1 16 . 1 1 72 72 SER N N 72 116.778 116.778 114.186 2.592 18869 5752 1 16 . 1 1 72 72 SER HA H 72 4.536 4.536 4.070 0.466 18869 5753 1 16 . 1 1 72 72 SER C C 72 175.305 175.305 176.347 -1.042 18869 5754 1 16 . 1 1 72 72 SER CA C 72 59.356 59.356 62.129 -2.773 18869 5755 1 16 . 1 1 72 72 SER CB C 72 63.977 63.977 62.928 1.049 18869 5756 1 16 . 1 1 72 72 SER H H 72 8.516 8.516 8.899 -0.383 18869 5757 1 16 . 1 1 73 73 THR N N 73 119.063 119.063 119.006 0.057 18869 5758 1 16 . 1 1 73 73 THR HA H 73 4.045 4.045 4.044 0.001 18869 5759 1 16 . 1 1 73 73 THR C C 73 176.016 176.016 176.326 -0.310 18869 5760 1 16 . 1 1 73 73 THR CA C 73 65.705 65.705 66.674 -0.969 18869 5761 1 16 . 1 1 73 73 THR CB C 73 68.743 68.743 68.670 0.073 18869 5762 1 16 . 1 1 73 73 THR H H 73 8.305 8.305 8.365 -0.060 18869 5763 1 16 . 1 1 74 74 TYR N N 74 118.707 118.707 120.803 -2.096 18869 5764 1 16 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.362 -0.088 18869 5765 1 16 . 1 1 74 74 TYR C C 74 177.613 177.613 177.083 0.530 18869 5766 1 16 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.442 1.662 18869 5767 1 16 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.221 -0.104 18869 5768 1 16 . 1 1 74 74 TYR H H 74 7.905 7.905 8.069 -0.164 18869 5769 1 16 . 1 1 75 75 THR N N 75 114.583 114.583 115.957 -1.374 18869 5770 1 16 . 1 1 75 75 THR HA H 75 3.992 3.992 3.910 0.082 18869 5771 1 16 . 1 1 75 75 THR C C 75 177.381 177.381 176.075 1.306 18869 5772 1 16 . 1 1 75 75 THR CA C 75 66.363 66.363 66.757 -0.394 18869 5773 1 16 . 1 1 75 75 THR CB C 75 68.324 68.324 68.515 -0.191 18869 5774 1 16 . 1 1 75 75 THR H H 75 8.027 8.027 7.911 0.116 18869 5775 1 16 . 1 1 76 76 ASP N N 76 124.495 124.495 122.381 2.114 18869 5776 1 16 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.379 0.118 18869 5777 1 16 . 1 1 76 76 ASP C C 76 178.510 178.510 177.989 0.521 18869 5778 1 16 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.046 0.241 18869 5779 1 16 . 1 1 76 76 ASP CB C 76 40.229 40.229 41.074 -0.845 18869 5780 1 16 . 1 1 76 76 ASP H H 76 8.293 8.293 7.943 0.350 18869 5781 1 16 . 1 1 77 77 LEU N N 77 121.803 121.803 120.388 1.415 18869 5782 1 16 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.996 0.007 18869 5783 1 16 . 1 1 77 77 LEU C C 77 177.976 177.976 177.876 0.100 18869 5784 1 16 . 1 1 77 77 LEU CA C 77 58.024 58.024 58.158 -0.134 18869 5785 1 16 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.821 0.102 18869 5786 1 16 . 1 1 77 77 LEU H H 77 8.301 8.301 7.355 0.946 18869 5787 1 16 . 1 1 78 78 LEU N N 78 119.070 119.070 118.125 0.945 18869 5788 1 16 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.938 0.099 18869 5789 1 16 . 1 1 78 78 LEU C C 78 179.095 179.095 178.151 0.944 18869 5790 1 16 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.109 0.537 18869 5791 1 16 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.230 0.087 18869 5792 1 16 . 1 1 78 78 LEU H H 78 8.380 8.380 7.483 0.897 18869 5793 1 16 . 1 1 79 79 SER N N 79 114.297 114.297 112.868 1.429 18869 5794 1 16 . 1 1 79 79 SER HA H 79 4.337 4.337 4.243 0.094 18869 5795 1 16 . 1 1 79 79 SER C C 79 176.729 176.729 176.598 0.131 18869 5796 1 16 . 1 1 79 79 SER CA C 79 62.031 62.031 60.929 1.102 18869 5797 1 16 . 1 1 79 79 SER CB C 79 62.761 62.761 62.272 0.489 18869 5798 1 16 . 1 1 79 79 SER H H 79 7.976 7.976 7.519 0.457 18869 5799 1 16 . 1 1 80 80 VAL N N 80 122.776 122.776 123.746 -0.970 18869 5800 1 16 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.740 0.121 18869 5801 1 16 . 1 1 80 80 VAL C C 80 178.463 178.463 177.918 0.545 18869 5802 1 16 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.244 -0.049 18869 5803 1 16 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.138 0.774 18869 5804 1 16 . 1 1 80 80 VAL H H 80 8.126 8.126 7.843 0.283 18869 5805 1 16 . 1 1 81 81 ILE N N 81 121.312 121.312 118.972 2.340 18869 5806 1 16 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.705 0.090 18869 5807 1 16 . 1 1 81 81 ILE C C 81 177.475 177.475 178.461 -0.986 18869 5808 1 16 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.949 1.176 18869 5809 1 16 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.292 1.438 18869 5810 1 16 . 1 1 81 81 ILE H H 81 8.236 8.236 8.204 0.032 18869 5811 1 16 . 1 1 82 82 GLU N N 82 119.637 119.637 119.922 -0.285 18869 5812 1 16 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.973 0.186 18869 5813 1 16 . 1 1 82 82 GLU C C 82 180.592 180.592 179.042 1.550 18869 5814 1 16 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.478 -0.300 18869 5815 1 16 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.640 -0.372 18869 5816 1 16 . 1 1 82 82 GLU H H 82 8.326 8.326 7.633 0.693 18869 5817 1 16 . 1 1 83 83 GLU N N 83 119.955 119.955 117.546 2.409 18869 5818 1 16 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.154 -0.095 18869 5819 1 16 . 1 1 83 83 GLU C C 83 179.428 179.428 179.118 0.310 18869 5820 1 16 . 1 1 83 83 GLU CA C 83 59.590 59.590 57.928 1.662 18869 5821 1 16 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.258 0.013 18869 5822 1 16 . 1 1 83 83 GLU H H 83 8.383 8.383 8.014 0.369 18869 5823 1 16 . 1 1 84 84 MET N N 84 118.367 118.367 117.863 0.504 18869 5824 1 16 . 1 1 84 84 MET HA H 84 4.066 4.066 4.343 -0.277 18869 5825 1 16 . 1 1 84 84 MET C C 84 179.303 179.303 178.118 1.185 18869 5826 1 16 . 1 1 84 84 MET CA C 84 60.047 60.047 58.775 1.272 18869 5827 1 16 . 1 1 84 84 MET CB C 84 34.431 34.431 32.680 1.751 18869 5828 1 16 . 1 1 84 84 MET H H 84 8.335 8.335 7.974 0.361 18869 5829 1 16 . 1 1 85 85 GLY N N 85 104.067 104.067 105.469 -1.402 18869 5830 1 16 . 1 1 85 85 GLY C C 85 176.612 176.612 174.670 1.942 18869 5831 1 16 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.894 0.649 18869 5832 1 16 . 1 1 85 85 GLY H H 85 8.219 8.219 7.839 0.380 18869 5833 1 16 . 1 1 86 86 LYS N N 86 119.651 119.651 117.454 2.197 18869 5834 1 16 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.244 0.029 18869 5835 1 16 . 1 1 86 86 LYS C C 86 177.390 177.390 178.505 -1.115 18869 5836 1 16 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.287 0.194 18869 5837 1 16 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.213 0.381 18869 5838 1 16 . 1 1 86 86 LYS H H 86 7.585 7.585 7.500 0.085 18869 5839 1 16 . 1 1 87 87 GLU N N 87 114.250 114.250 119.970 -5.720 18869 5840 1 16 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.291 0.894 18869 5841 1 16 . 1 1 87 87 GLU C C 87 179.381 179.381 178.228 1.153 18869 5842 1 16 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.387 -2.584 18869 5843 1 16 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.433 0.199 18869 5844 1 16 . 1 1 87 87 GLU H H 87 7.710 7.710 7.682 0.028 18869 5845 1 16 . 1 1 88 88 ILE N N 88 122.587 122.587 120.291 2.296 18869 5846 1 16 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.721 -0.245 18869 5847 1 16 . 1 1 88 88 ILE C C 88 175.990 175.990 177.548 -1.558 18869 5848 1 16 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.276 2.235 18869 5849 1 16 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.506 0.452 18869 5850 1 16 . 1 1 88 88 ILE H H 88 7.471 7.471 7.626 -0.155 18869 5851 1 16 . 1 1 89 89 ARG N N 89 118.954 118.954 119.630 -0.676 18869 5852 1 16 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.225 0.144 18869 5853 1 16 . 1 1 89 89 ARG C C 89 176.834 176.834 175.750 1.084 18869 5854 1 16 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.493 -0.104 18869 5855 1 16 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.805 -0.907 18869 5856 1 16 . 1 1 89 89 ARG H H 89 8.983 8.983 7.672 1.311 18869 5857 1 16 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.343 0.194 18869 5858 1 16 . 1 1 90 90 PRO C C 90 178.848 178.848 178.346 0.502 18869 5859 1 16 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.631 0.339 18869 5860 1 16 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.213 -0.951 18869 5861 1 16 . 1 1 91 91 THR N N 91 118.284 118.284 115.983 2.301 18869 5862 1 16 . 1 1 91 91 THR HA H 91 4.461 4.461 4.055 0.406 18869 5863 1 16 . 1 1 91 91 THR C C 91 176.982 176.982 177.230 -0.248 18869 5864 1 16 . 1 1 91 91 THR CA C 91 67.247 67.247 67.418 -0.171 18869 5865 1 16 . 1 1 91 91 THR CB C 91 69.454 69.454 68.548 0.906 18869 5866 1 16 . 1 1 91 91 THR H H 91 7.734 7.734 7.818 -0.084 18869 5867 1 16 . 1 1 92 92 TYR N N 92 123.739 123.739 123.110 0.629 18869 5868 1 16 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.239 0.605 18869 5869 1 16 . 1 1 92 92 TYR C C 92 177.320 177.320 176.483 0.837 18869 5870 1 16 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.527 -1.719 18869 5871 1 16 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.300 0.901 18869 5872 1 16 . 1 1 92 92 TYR H H 92 8.420 8.420 8.250 0.170 18869 5873 1 16 . 1 1 93 93 ALA N N 93 120.159 120.159 119.083 1.076 18869 5874 1 16 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.276 -0.105 18869 5875 1 16 . 1 1 93 93 ALA C C 93 177.685 177.685 177.521 0.164 18869 5876 1 16 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.505 -0.526 18869 5877 1 16 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.093 -0.582 18869 5878 1 16 . 1 1 93 93 ALA H H 93 7.929 7.929 7.823 0.106 18869 5879 1 16 . 1 1 94 94 GLY N N 94 108.770 108.770 106.459 2.311 18869 5880 1 16 . 1 1 94 94 GLY C C 94 174.896 174.896 174.874 0.022 18869 5881 1 16 . 1 1 94 94 GLY CA C 94 45.882 45.882 44.739 1.143 18869 5882 1 16 . 1 1 94 94 GLY H H 94 8.311 8.311 7.642 0.669 18869 5883 1 16 . 1 1 95 95 SER N N 95 115.316 115.316 120.036 -4.720 18869 5884 1 16 . 1 1 95 95 SER HA H 95 4.774 4.774 4.337 0.438 18869 5885 1 16 . 1 1 95 95 SER C C 95 175.089 175.089 175.313 -0.224 18869 5886 1 16 . 1 1 95 95 SER CA C 95 57.083 57.083 58.538 -1.455 18869 5887 1 16 . 1 1 95 95 SER CB C 95 62.543 62.543 62.949 -0.406 18869 5888 1 16 . 1 1 95 95 SER H H 95 8.363 8.363 8.022 0.341 18869 5889 1 16 . 1 1 96 96 LYS N N 96 134.180 134.180 127.695 6.485 18869 5890 1 16 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.918 0.066 18869 5891 1 16 . 1 1 96 96 LYS C C 96 178.195 178.195 178.557 -0.362 18869 5892 1 16 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.326 0.571 18869 5893 1 16 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.865 1.082 18869 5894 1 16 . 1 1 96 96 LYS H H 96 9.099 9.099 8.331 0.768 18869 5895 1 16 . 1 1 97 97 SER N N 97 113.650 113.650 115.019 -1.369 18869 5896 1 16 . 1 1 97 97 SER HA H 97 4.230 4.230 4.198 0.032 18869 5897 1 16 . 1 1 97 97 SER C C 97 177.304 177.304 176.453 0.851 18869 5898 1 16 . 1 1 97 97 SER CA C 97 61.152 61.152 60.380 0.772 18869 5899 1 16 . 1 1 97 97 SER CB C 97 62.101 62.101 62.658 -0.557 18869 5900 1 16 . 1 1 97 97 SER H H 97 8.383 8.383 8.322 0.061 18869 5901 1 16 . 1 1 98 98 ALA N N 98 126.790 126.790 124.080 2.710 18869 5902 1 16 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.360 -0.333 18869 5903 1 16 . 1 1 98 98 ALA C C 98 178.317 178.317 179.971 -1.654 18869 5904 1 16 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.632 0.675 18869 5905 1 16 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.476 1.282 18869 5906 1 16 . 1 1 98 98 ALA H H 98 7.771 7.771 8.352 -0.581 18869 5907 1 16 . 1 1 99 99 MET N N 99 119.910 119.910 119.407 0.503 18869 5908 1 16 . 1 1 99 99 MET HA H 99 3.944 3.944 4.272 -0.328 18869 5909 1 16 . 1 1 99 99 MET C C 99 178.584 178.584 178.063 0.521 18869 5910 1 16 . 1 1 99 99 MET CA C 99 59.584 59.584 57.822 1.762 18869 5911 1 16 . 1 1 99 99 MET H H 99 7.856 7.856 7.919 -0.063 18869 5912 1 16 . 1 1 100 100 GLU N N 100 118.105 118.105 120.125 -2.020 18869 5913 1 16 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.981 0.002 18869 5914 1 16 . 1 1 100 100 GLU C C 100 180.292 180.292 178.956 1.336 18869 5915 1 16 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.761 -0.327 18869 5916 1 16 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.540 -0.291 18869 5917 1 16 . 1 1 100 100 GLU H H 100 8.255 8.255 8.313 -0.058 18869 5918 1 16 . 1 1 101 101 ARG N N 101 120.780 120.780 118.994 1.786 18869 5919 1 16 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.191 -0.158 18869 5920 1 16 . 1 1 101 101 ARG C C 101 180.619 180.619 178.839 1.780 18869 5921 1 16 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.448 2.349 18869 5922 1 16 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.296 0.510 18869 5923 1 16 . 1 1 101 101 ARG H H 101 7.973 7.973 7.770 0.203 18869 5924 1 16 . 1 1 102 102 LEU N N 102 125.866 125.866 121.903 3.963 18869 5925 1 16 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.185 -0.042 18869 5926 1 16 . 1 1 102 102 LEU C C 102 178.209 178.209 178.221 -0.012 18869 5927 1 16 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.819 1.373 18869 5928 1 16 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.997 -0.177 18869 5929 1 16 . 1 1 102 102 LEU H H 102 8.781 8.781 7.971 0.810 18869 5930 1 16 . 1 1 103 103 LYS N N 103 118.426 118.426 118.206 0.220 18869 5931 1 16 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.948 -0.100 18869 5932 1 16 . 1 1 103 103 LYS C C 103 179.666 179.666 178.982 0.684 18869 5933 1 16 . 1 1 103 103 LYS CA C 103 60.600 60.600 59.862 0.738 18869 5934 1 16 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.089 0.642 18869 5935 1 16 . 1 1 103 103 LYS H H 103 8.573 8.573 7.981 0.592 18869 5936 1 16 . 1 1 104 104 ARG N N 104 117.936 117.936 120.252 -2.316 18869 5937 1 16 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.087 -0.037 18869 5938 1 16 . 1 1 104 104 ARG C C 104 179.190 179.190 178.503 0.687 18869 5939 1 16 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.267 0.268 18869 5940 1 16 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.029 0.021 18869 5941 1 16 . 1 1 104 104 ARG H H 104 8.154 8.154 7.947 0.207 18869 5942 1 16 . 1 1 105 105 GLY N N 105 110.339 110.339 107.628 2.711 18869 5943 1 16 . 1 1 105 105 GLY C C 105 174.974 174.974 176.358 -1.384 18869 5944 1 16 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.139 0.567 18869 5945 1 16 . 1 1 105 105 GLY H H 105 8.265 8.265 8.006 0.259 18869 5946 1 16 . 1 1 106 106 ILE N N 106 122.669 122.669 123.061 -0.392 18869 5947 1 16 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.908 -0.187 18869 5948 1 16 . 1 1 106 106 ILE C C 106 177.749 177.749 178.078 -0.329 18869 5949 1 16 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.405 -0.294 18869 5950 1 16 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.091 -1.805 18869 5951 1 16 . 1 1 106 106 ILE H H 106 8.028 8.028 7.558 0.470 18869 5952 1 16 . 1 1 107 107 ILE N N 107 119.626 119.626 120.222 -0.596 18869 5953 1 16 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.538 0.114 18869 5954 1 16 . 1 1 107 107 ILE C C 107 179.292 179.292 177.995 1.297 18869 5955 1 16 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.840 -0.533 18869 5956 1 16 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.540 0.869 18869 5957 1 16 . 1 1 107 107 ILE H H 107 7.481 7.481 7.957 -0.476 18869 5958 1 16 . 1 1 108 108 HIS N N 108 120.644 120.644 119.559 1.085 18869 5959 1 16 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.288 0.414 18869 5960 1 16 . 1 1 108 108 HIS C C 108 177.121 177.121 177.092 0.029 18869 5961 1 16 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.783 -2.219 18869 5962 1 16 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.763 -0.319 18869 5963 1 16 . 1 1 108 108 HIS H H 108 8.396 8.396 8.298 0.098 18869 5964 1 16 . 1 1 109 109 ALA N N 109 121.460 121.460 122.129 -0.669 18869 5965 1 16 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.845 0.063 18869 5966 1 16 . 1 1 109 109 ALA C C 109 178.810 178.810 179.119 -0.309 18869 5967 1 16 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.242 0.333 18869 5968 1 16 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.262 -0.663 18869 5969 1 16 . 1 1 109 109 ALA H H 109 9.416 9.416 8.319 1.097 18869 5970 1 16 . 1 1 110 110 ARG N N 110 116.845 116.845 119.424 -2.579 18869 5971 1 16 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.016 -0.283 18869 5972 1 16 . 1 1 110 110 ARG C C 110 177.800 177.800 178.188 -0.388 18869 5973 1 16 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.311 1.120 18869 5974 1 16 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.253 0.637 18869 5975 1 16 . 1 1 110 110 ARG H H 110 8.579 8.579 8.395 0.184 18869 5976 1 16 . 1 1 111 111 ALA N N 111 120.689 120.689 122.045 -1.356 18869 5977 1 16 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.098 0.062 18869 5978 1 16 . 1 1 111 111 ALA C C 111 181.315 181.315 179.614 1.701 18869 5979 1 16 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.964 0.449 18869 5980 1 16 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.407 -0.341 18869 5981 1 16 . 1 1 111 111 ALA H H 111 7.808 7.808 7.688 0.120 18869 5982 1 16 . 1 1 112 112 LEU N N 112 119.511 119.511 119.043 0.468 18869 5983 1 16 . 1 1 112 112 LEU C C 112 179.788 179.788 179.098 0.690 18869 5984 1 16 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.682 0.315 18869 5985 1 16 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.717 1.156 18869 5986 1 16 . 1 1 112 112 LEU H H 112 8.308 8.308 7.790 0.518 18869 5987 1 16 . 1 1 113 113 VAL N N 113 119.879 119.879 119.003 0.876 18869 5988 1 16 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.583 -0.029 18869 5989 1 16 . 1 1 113 113 VAL C C 113 178.238 178.238 178.329 -0.091 18869 5990 1 16 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.024 1.617 18869 5991 1 16 . 1 1 113 113 VAL CB C 113 31.376 31.376 30.944 0.432 18869 5992 1 16 . 1 1 113 113 VAL H H 113 8.502 8.502 7.962 0.540 18869 5993 1 16 . 1 1 114 114 ARG N N 114 118.928 118.928 119.761 -0.833 18869 5994 1 16 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.006 -0.017 18869 5995 1 16 . 1 1 114 114 ARG C C 114 179.368 179.368 178.781 0.587 18869 5996 1 16 . 1 1 114 114 ARG CA C 114 60.207 60.207 58.854 1.353 18869 5997 1 16 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.817 -1.245 18869 5998 1 16 . 1 1 114 114 ARG H H 114 8.335 8.335 8.197 0.138 18869 5999 1 16 . 1 1 115 115 GLU N N 115 120.444 120.444 118.561 1.883 18869 6000 1 16 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.134 0.074 18869 6001 1 16 . 1 1 115 115 GLU C C 115 178.931 178.931 179.139 -0.208 18869 6002 1 16 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.668 0.615 18869 6003 1 16 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.325 -0.224 18869 6004 1 16 . 1 1 115 115 GLU H H 115 7.971 7.971 8.155 -0.184 18869 6005 1 16 . 1 1 116 116 CYS N N 116 118.789 118.789 119.950 -1.161 18869 6006 1 16 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.398 -0.291 18869 6007 1 16 . 1 1 116 116 CYS C C 116 177.264 177.264 176.371 0.893 18869 6008 1 16 . 1 1 116 116 CYS CA C 116 62.959 62.959 60.700 2.259 18869 6009 1 16 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.136 -0.529 18869 6010 1 16 . 1 1 116 116 CYS H H 116 7.989 7.989 7.774 0.215 18869 6011 1 16 . 1 1 117 117 LEU N N 117 120.670 120.670 120.332 0.338 18869 6012 1 16 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.795 0.153 18869 6013 1 16 . 1 1 117 117 LEU C C 117 178.291 178.291 178.309 -0.018 18869 6014 1 16 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.686 -0.417 18869 6015 1 16 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.491 0.742 18869 6016 1 16 . 1 1 117 117 LEU H H 117 8.028 8.028 7.922 0.106 18869 6017 1 16 . 1 1 118 118 ALA N N 118 122.520 122.520 121.136 1.384 18869 6018 1 16 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.991 0.213 18869 6019 1 16 . 1 1 118 118 ALA C C 118 179.805 179.805 179.427 0.378 18869 6020 1 16 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.638 -0.229 18869 6021 1 16 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.362 0.008 18869 6022 1 16 . 1 1 118 118 ALA H H 118 8.000 8.000 7.476 0.524 18869 6023 1 16 . 1 1 119 119 GLU N N 119 118.901 118.901 118.365 0.536 18869 6024 1 16 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.022 0.162 18869 6025 1 16 . 1 1 119 119 GLU C C 119 178.082 178.082 178.823 -0.741 18869 6026 1 16 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.656 -0.203 18869 6027 1 16 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.133 0.533 18869 6028 1 16 . 1 1 119 119 GLU H H 119 8.094 8.094 8.261 -0.167 18869 6029 1 16 . 1 1 120 120 THR N N 120 113.828 113.828 115.146 -1.318 18869 6030 1 16 . 1 1 120 120 THR HA H 120 4.251 4.251 3.997 0.254 18869 6031 1 16 . 1 1 120 120 THR C C 120 176.051 176.051 176.235 -0.184 18869 6032 1 16 . 1 1 120 120 THR CA C 120 64.664 64.664 64.895 -0.231 18869 6033 1 16 . 1 1 120 120 THR CB C 120 69.543 69.543 68.452 1.091 18869 6034 1 16 . 1 1 120 120 THR H H 120 7.976 7.976 8.362 -0.386 18869 6035 1 16 . 1 1 121 121 GLU N N 121 121.927 121.927 121.945 -0.018 18869 6036 1 16 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.027 0.217 18869 6037 1 16 . 1 1 121 121 GLU C C 121 177.730 177.730 177.910 -0.180 18869 6038 1 16 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.541 -0.617 18869 6039 1 16 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.208 0.694 18869 6040 1 16 . 1 1 121 121 GLU H H 121 8.073 8.073 7.614 0.459 18869 6041 1 16 . 1 1 122 122 ARG N N 122 120.226 120.226 116.675 3.551 18869 6042 1 16 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.106 0.148 18869 6043 1 16 . 1 1 122 122 ARG C C 122 177.289 177.289 177.072 0.217 18869 6044 1 16 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.239 0.472 18869 6045 1 16 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.147 0.675 18869 6046 1 16 . 1 1 122 122 ARG H H 122 8.081 8.081 7.694 0.387 18869 6047 1 16 . 1 1 123 123 ASN N N 123 118.062 118.062 118.119 -0.057 18869 6048 1 16 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.717 0.025 18869 6049 1 16 . 1 1 123 123 ASN C C 123 175.035 175.035 174.303 0.732 18869 6050 1 16 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.000 1.720 18869 6051 1 16 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.187 -0.145 18869 6052 1 16 . 1 1 123 123 ASN H H 123 8.229 8.229 7.659 0.570 18869 6053 1 16 . 1 1 124 124 ALA N N 124 123.469 123.469 129.254 -5.785 18869 6054 1 16 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.168 0.224 18869 6055 1 16 . 1 1 124 124 ALA C C 124 177.587 177.587 176.849 0.738 18869 6056 1 16 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.574 0.205 18869 6057 1 16 . 1 1 124 124 ALA CB C 124 19.365 19.365 18.317 1.048 18869 6058 1 16 . 1 1 124 124 ALA H H 124 7.989 7.989 8.644 -0.655 18869 6059 1 16 . 1 1 125 125 ARG N N 125 120.186 120.186 125.282 -5.096 18869 6060 1 16 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.621 -0.135 18869 6061 1 16 . 1 1 125 125 ARG C C 125 175.804 175.804 175.970 -0.166 18869 6062 1 16 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.247 1.005 18869 6063 1 16 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.649 0.209 18869 6064 1 16 . 1 1 125 125 ARG H H 125 8.200 8.200 7.874 0.326 18869 6065 1 17 . 1 1 59 59 HIS HA H 59 4.737 4.737 5.277 -0.540 18869 6066 1 17 . 1 1 59 59 HIS C C 59 174.845 174.845 173.578 1.267 18869 6067 1 17 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.019 1.413 18869 6068 1 17 . 1 1 59 59 HIS CB C 59 30.554 30.554 31.153 -0.599 18869 6069 1 17 . 1 1 60 60 MET N N 60 121.666 121.666 121.182 0.484 18869 6070 1 17 . 1 1 60 60 MET HA H 60 4.462 4.462 4.624 -0.162 18869 6071 1 17 . 1 1 60 60 MET C C 60 175.495 175.495 176.014 -0.519 18869 6072 1 17 . 1 1 60 60 MET CA C 60 55.475 55.475 54.270 1.206 18869 6073 1 17 . 1 1 60 60 MET H H 60 8.324 8.324 8.784 -0.460 18869 6074 1 17 . 1 1 61 61 ALA N N 61 125.934 125.934 127.626 -1.692 18869 6075 1 17 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.503 -0.156 18869 6076 1 17 . 1 1 61 61 ALA C C 61 177.394 177.394 176.638 0.756 18869 6077 1 17 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.791 0.781 18869 6078 1 17 . 1 1 61 61 ALA CB C 61 19.475 19.475 17.502 1.973 18869 6079 1 17 . 1 1 61 61 ALA H H 61 8.438 8.438 8.655 -0.217 18869 6080 1 17 . 1 1 62 62 MET N N 62 120.125 120.125 122.393 -2.268 18869 6081 1 17 . 1 1 62 62 MET HA H 62 4.489 4.489 4.419 0.070 18869 6082 1 17 . 1 1 62 62 MET C C 62 175.850 175.850 175.542 0.308 18869 6083 1 17 . 1 1 62 62 MET CA C 62 55.350 55.350 54.822 0.528 18869 6084 1 17 . 1 1 62 62 MET H H 62 8.369 8.369 7.871 0.498 18869 6085 1 17 . 1 1 63 63 LYS N N 63 124.280 124.280 128.087 -3.807 18869 6086 1 17 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.639 0.006 18869 6087 1 17 . 1 1 63 63 LYS C C 63 173.722 173.722 174.189 -0.467 18869 6088 1 17 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.581 -0.339 18869 6089 1 17 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.279 -0.639 18869 6090 1 17 . 1 1 63 63 LYS H H 63 8.390 8.390 8.054 0.336 18869 6091 1 17 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.615 0.128 18869 6092 1 17 . 1 1 64 64 PRO CA C 64 61.556 61.556 62.021 -0.465 18869 6093 1 17 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.690 -0.743 18869 6094 1 17 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.304 0.159 18869 6095 1 17 . 1 1 65 65 PRO C C 65 177.677 177.677 177.530 0.147 18869 6096 1 17 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.977 0.501 18869 6097 1 17 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.209 -0.120 18869 6098 1 17 . 1 1 66 66 GLY N N 66 109.177 109.177 107.117 2.060 18869 6099 1 17 . 1 1 66 66 GLY C C 66 173.968 173.968 174.131 -0.163 18869 6100 1 17 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.635 0.613 18869 6101 1 17 . 1 1 66 66 GLY H H 66 8.501 8.501 7.997 0.504 18869 6102 1 17 . 1 1 67 67 ALA N N 67 123.867 123.867 122.452 1.415 18869 6103 1 17 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.257 0.131 18869 6104 1 17 . 1 1 67 67 ALA C C 67 177.984 177.984 177.446 0.538 18869 6105 1 17 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.122 0.436 18869 6106 1 17 . 1 1 67 67 ALA CB C 67 19.392 19.392 18.706 0.686 18869 6107 1 17 . 1 1 67 67 ALA H H 67 8.224 8.224 8.185 0.039 18869 6108 1 17 . 1 1 68 68 GLN N N 68 119.754 119.754 124.245 -4.491 18869 6109 1 17 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.115 0.274 18869 6110 1 17 . 1 1 68 68 GLN C C 68 176.666 176.666 175.520 1.146 18869 6111 1 17 . 1 1 68 68 GLN CA C 68 56.258 56.258 56.247 0.011 18869 6112 1 17 . 1 1 68 68 GLN CB C 68 29.511 29.511 27.870 1.641 18869 6113 1 17 . 1 1 68 68 GLN H H 68 8.540 8.540 8.683 -0.143 18869 6114 1 17 . 1 1 69 69 GLY N N 69 110.258 110.258 110.304 -0.046 18869 6115 1 17 . 1 1 69 69 GLY C C 69 174.333 174.333 174.006 0.327 18869 6116 1 17 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.744 -0.228 18869 6117 1 17 . 1 1 69 69 GLY H H 69 8.516 8.516 8.044 0.472 18869 6118 1 17 . 1 1 70 70 SER N N 70 116.141 116.141 115.562 0.579 18869 6119 1 17 . 1 1 70 70 SER HA H 70 4.504 4.504 4.234 0.270 18869 6120 1 17 . 1 1 70 70 SER C C 70 174.792 174.792 174.027 0.765 18869 6121 1 17 . 1 1 70 70 SER CA C 70 58.792 58.792 60.642 -1.850 18869 6122 1 17 . 1 1 70 70 SER CB C 70 64.011 64.011 62.404 1.607 18869 6123 1 17 . 1 1 70 70 SER H H 70 8.387 8.387 8.402 -0.015 18869 6124 1 17 . 1 1 71 71 GLN N N 71 122.245 122.245 122.581 -0.336 18869 6125 1 17 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.618 -0.214 18869 6126 1 17 . 1 1 71 71 GLN C C 71 176.805 176.805 175.809 0.996 18869 6127 1 17 . 1 1 71 71 GLN CA C 71 57.233 57.233 54.664 2.569 18869 6128 1 17 . 1 1 71 71 GLN CB C 71 29.111 29.111 30.355 -1.244 18869 6129 1 17 . 1 1 71 71 GLN H H 71 8.639 8.639 8.141 0.498 18869 6130 1 17 . 1 1 72 72 SER N N 72 116.778 116.778 123.733 -6.955 18869 6131 1 17 . 1 1 72 72 SER HA H 72 4.536 4.536 4.267 0.269 18869 6132 1 17 . 1 1 72 72 SER C C 72 175.305 175.305 176.643 -1.338 18869 6133 1 17 . 1 1 72 72 SER CA C 72 59.356 59.356 61.932 -2.576 18869 6134 1 17 . 1 1 72 72 SER CB C 72 63.977 63.977 63.442 0.535 18869 6135 1 17 . 1 1 72 72 SER H H 72 8.516 8.516 8.759 -0.243 18869 6136 1 17 . 1 1 73 73 THR N N 73 119.063 119.063 115.000 4.063 18869 6137 1 17 . 1 1 73 73 THR HA H 73 4.045 4.045 4.369 -0.324 18869 6138 1 17 . 1 1 73 73 THR C C 73 176.016 176.016 175.535 0.481 18869 6139 1 17 . 1 1 73 73 THR CA C 73 65.705 65.705 64.748 0.957 18869 6140 1 17 . 1 1 73 73 THR CB C 73 68.743 68.743 68.876 -0.133 18869 6141 1 17 . 1 1 73 73 THR H H 73 8.305 8.305 8.034 0.271 18869 6142 1 17 . 1 1 74 74 TYR N N 74 118.707 118.707 120.014 -1.307 18869 6143 1 17 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.468 -0.194 18869 6144 1 17 . 1 1 74 74 TYR C C 74 177.613 177.613 176.684 0.929 18869 6145 1 17 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.536 1.568 18869 6146 1 17 . 1 1 74 74 TYR CB C 74 38.117 38.117 37.611 0.506 18869 6147 1 17 . 1 1 74 74 TYR H H 74 7.905 7.905 8.250 -0.345 18869 6148 1 17 . 1 1 75 75 THR N N 75 114.583 114.583 117.382 -2.799 18869 6149 1 17 . 1 1 75 75 THR HA H 75 3.992 3.992 3.924 0.068 18869 6150 1 17 . 1 1 75 75 THR C C 75 177.381 177.381 176.295 1.086 18869 6151 1 17 . 1 1 75 75 THR CA C 75 66.363 66.363 67.001 -0.638 18869 6152 1 17 . 1 1 75 75 THR CB C 75 68.324 68.324 68.133 0.190 18869 6153 1 17 . 1 1 75 75 THR H H 75 8.027 8.027 7.823 0.204 18869 6154 1 17 . 1 1 76 76 ASP N N 76 124.495 124.495 122.621 1.874 18869 6155 1 17 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.318 0.179 18869 6156 1 17 . 1 1 76 76 ASP C C 76 178.510 178.510 178.309 0.201 18869 6157 1 17 . 1 1 76 76 ASP CA C 76 57.287 57.287 58.095 -0.808 18869 6158 1 17 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.464 -0.235 18869 6159 1 17 . 1 1 76 76 ASP H H 76 8.293 8.293 7.817 0.476 18869 6160 1 17 . 1 1 77 77 LEU N N 77 121.803 121.803 120.474 1.329 18869 6161 1 17 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.999 0.004 18869 6162 1 17 . 1 1 77 77 LEU C C 77 177.976 177.976 177.648 0.328 18869 6163 1 17 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.763 0.261 18869 6164 1 17 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.731 0.191 18869 6165 1 17 . 1 1 77 77 LEU H H 77 8.301 8.301 7.316 0.985 18869 6166 1 17 . 1 1 78 78 LEU N N 78 119.070 119.070 119.169 -0.099 18869 6167 1 17 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.806 0.231 18869 6168 1 17 . 1 1 78 78 LEU C C 78 179.095 179.095 178.662 0.433 18869 6169 1 17 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.993 0.653 18869 6170 1 17 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.286 0.031 18869 6171 1 17 . 1 1 78 78 LEU H H 78 8.380 8.380 7.363 1.017 18869 6172 1 17 . 1 1 79 79 SER N N 79 114.297 114.297 114.730 -0.433 18869 6173 1 17 . 1 1 79 79 SER HA H 79 4.337 4.337 4.199 0.138 18869 6174 1 17 . 1 1 79 79 SER C C 79 176.729 176.729 176.714 0.015 18869 6175 1 17 . 1 1 79 79 SER CA C 79 62.031 62.031 61.475 0.556 18869 6176 1 17 . 1 1 79 79 SER CB C 79 62.761 62.761 62.687 0.075 18869 6177 1 17 . 1 1 79 79 SER H H 79 7.976 7.976 7.555 0.421 18869 6178 1 17 . 1 1 80 80 VAL N N 80 122.776 122.776 122.640 0.136 18869 6179 1 17 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.701 0.160 18869 6180 1 17 . 1 1 80 80 VAL C C 80 178.463 178.463 177.794 0.669 18869 6181 1 17 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.061 0.134 18869 6182 1 17 . 1 1 80 80 VAL CB C 80 31.912 31.912 30.904 1.008 18869 6183 1 17 . 1 1 80 80 VAL H H 80 8.126 8.126 8.137 -0.011 18869 6184 1 17 . 1 1 81 81 ILE N N 81 121.312 121.312 119.697 1.615 18869 6185 1 17 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.700 0.096 18869 6186 1 17 . 1 1 81 81 ILE C C 81 177.475 177.475 178.367 -0.892 18869 6187 1 17 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.397 0.728 18869 6188 1 17 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.350 1.380 18869 6189 1 17 . 1 1 81 81 ILE H H 81 8.236 8.236 8.423 -0.187 18869 6190 1 17 . 1 1 82 82 GLU N N 82 119.637 119.637 119.731 -0.094 18869 6191 1 17 . 1 1 82 82 GLU HA H 82 4.159 4.159 3.980 0.179 18869 6192 1 17 . 1 1 82 82 GLU C C 82 180.592 180.592 178.974 1.618 18869 6193 1 17 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.528 -0.349 18869 6194 1 17 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.536 -0.269 18869 6195 1 17 . 1 1 82 82 GLU H H 82 8.326 8.326 7.721 0.605 18869 6196 1 17 . 1 1 83 83 GLU N N 83 119.955 119.955 119.477 0.478 18869 6197 1 17 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.050 0.009 18869 6198 1 17 . 1 1 83 83 GLU C C 83 179.428 179.428 179.561 -0.133 18869 6199 1 17 . 1 1 83 83 GLU CA C 83 59.590 59.590 59.107 0.483 18869 6200 1 17 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.307 -0.036 18869 6201 1 17 . 1 1 83 83 GLU H H 83 8.383 8.383 8.145 0.238 18869 6202 1 17 . 1 1 84 84 MET N N 84 118.367 118.367 118.567 -0.200 18869 6203 1 17 . 1 1 84 84 MET HA H 84 4.066 4.066 4.024 0.042 18869 6204 1 17 . 1 1 84 84 MET C C 84 179.303 179.303 178.581 0.722 18869 6205 1 17 . 1 1 84 84 MET CA C 84 60.047 60.047 59.217 0.830 18869 6206 1 17 . 1 1 84 84 MET CB C 84 34.431 34.431 32.468 1.963 18869 6207 1 17 . 1 1 84 84 MET H H 84 8.335 8.335 8.489 -0.154 18869 6208 1 17 . 1 1 85 85 GLY N N 85 104.067 104.067 105.849 -1.782 18869 6209 1 17 . 1 1 85 85 GLY C C 85 176.612 176.612 176.527 0.085 18869 6210 1 17 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.972 0.571 18869 6211 1 17 . 1 1 85 85 GLY H H 85 8.219 8.219 8.160 0.059 18869 6212 1 17 . 1 1 86 86 LYS N N 86 119.651 119.651 121.161 -1.510 18869 6213 1 17 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.095 0.178 18869 6214 1 17 . 1 1 86 86 LYS C C 86 177.390 177.390 178.902 -1.512 18869 6215 1 17 . 1 1 86 86 LYS CA C 86 58.481 58.481 59.050 -0.569 18869 6216 1 17 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.178 0.416 18869 6217 1 17 . 1 1 86 86 LYS H H 86 7.585 7.585 7.760 -0.175 18869 6218 1 17 . 1 1 87 87 GLU N N 87 114.250 114.250 119.635 -5.385 18869 6219 1 17 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.246 0.939 18869 6220 1 17 . 1 1 87 87 GLU C C 87 179.381 179.381 178.290 1.091 18869 6221 1 17 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.587 -2.784 18869 6222 1 17 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.138 0.494 18869 6223 1 17 . 1 1 87 87 GLU H H 87 7.710 7.710 7.638 0.072 18869 6224 1 17 . 1 1 88 88 ILE N N 88 122.587 122.587 120.480 2.107 18869 6225 1 17 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.750 -0.274 18869 6226 1 17 . 1 1 88 88 ILE C C 88 175.990 175.990 177.361 -1.371 18869 6227 1 17 . 1 1 88 88 ILE CA C 88 67.511 67.511 64.961 2.550 18869 6228 1 17 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.609 0.349 18869 6229 1 17 . 1 1 88 88 ILE H H 88 7.471 7.471 7.775 -0.304 18869 6230 1 17 . 1 1 89 89 ARG N N 89 118.954 118.954 120.971 -2.017 18869 6231 1 17 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.236 0.133 18869 6232 1 17 . 1 1 89 89 ARG C C 89 176.834 176.834 175.510 1.324 18869 6233 1 17 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.671 -0.282 18869 6234 1 17 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.420 -1.522 18869 6235 1 17 . 1 1 89 89 ARG H H 89 8.983 8.983 7.664 1.319 18869 6236 1 17 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.348 0.189 18869 6237 1 17 . 1 1 90 90 PRO C C 90 178.848 178.848 178.314 0.534 18869 6238 1 17 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.526 0.444 18869 6239 1 17 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.099 -0.837 18869 6240 1 17 . 1 1 91 91 THR N N 91 118.284 118.284 116.058 2.226 18869 6241 1 17 . 1 1 91 91 THR HA H 91 4.461 4.461 4.261 0.200 18869 6242 1 17 . 1 1 91 91 THR C C 91 176.982 176.982 177.293 -0.311 18869 6243 1 17 . 1 1 91 91 THR CA C 91 67.247 67.247 67.306 -0.059 18869 6244 1 17 . 1 1 91 91 THR CB C 91 69.454 69.454 68.580 0.874 18869 6245 1 17 . 1 1 91 91 THR H H 91 7.734 7.734 7.703 0.031 18869 6246 1 17 . 1 1 92 92 TYR N N 92 123.739 123.739 123.318 0.421 18869 6247 1 17 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.245 0.599 18869 6248 1 17 . 1 1 92 92 TYR C C 92 177.320 177.320 175.939 1.381 18869 6249 1 17 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.575 -1.766 18869 6250 1 17 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.300 0.901 18869 6251 1 17 . 1 1 92 92 TYR H H 92 8.420 8.420 8.258 0.162 18869 6252 1 17 . 1 1 93 93 ALA N N 93 120.159 120.159 117.979 2.180 18869 6253 1 17 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.208 -0.037 18869 6254 1 17 . 1 1 93 93 ALA C C 93 177.685 177.685 177.942 -0.257 18869 6255 1 17 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.350 -0.371 18869 6256 1 17 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.296 -0.785 18869 6257 1 17 . 1 1 93 93 ALA H H 93 7.929 7.929 7.564 0.365 18869 6258 1 17 . 1 1 94 94 GLY N N 94 108.770 108.770 106.266 2.504 18869 6259 1 17 . 1 1 94 94 GLY C C 94 174.896 174.896 175.087 -0.191 18869 6260 1 17 . 1 1 94 94 GLY CA C 94 45.882 45.882 44.886 0.996 18869 6261 1 17 . 1 1 94 94 GLY H H 94 8.311 8.311 7.602 0.709 18869 6262 1 17 . 1 1 95 95 SER N N 95 115.316 115.316 120.321 -5.005 18869 6263 1 17 . 1 1 95 95 SER HA H 95 4.774 4.774 4.463 0.311 18869 6264 1 17 . 1 1 95 95 SER C C 95 175.089 175.089 175.247 -0.158 18869 6265 1 17 . 1 1 95 95 SER CA C 95 57.083 57.083 57.773 -0.690 18869 6266 1 17 . 1 1 95 95 SER CB C 95 62.543 62.543 62.535 0.008 18869 6267 1 17 . 1 1 95 95 SER H H 95 8.363 8.363 7.954 0.409 18869 6268 1 17 . 1 1 96 96 LYS N N 96 134.180 134.180 128.538 5.642 18869 6269 1 17 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.917 0.067 18869 6270 1 17 . 1 1 96 96 LYS C C 96 178.195 178.195 178.381 -0.186 18869 6271 1 17 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.063 0.834 18869 6272 1 17 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.728 1.219 18869 6273 1 17 . 1 1 96 96 LYS H H 96 9.099 9.099 8.213 0.886 18869 6274 1 17 . 1 1 97 97 SER N N 97 113.650 113.650 115.030 -1.380 18869 6275 1 17 . 1 1 97 97 SER HA H 97 4.230 4.230 4.229 0.001 18869 6276 1 17 . 1 1 97 97 SER C C 97 177.304 177.304 176.107 1.197 18869 6277 1 17 . 1 1 97 97 SER CA C 97 61.152 61.152 61.227 -0.075 18869 6278 1 17 . 1 1 97 97 SER CB C 97 62.101 62.101 62.516 -0.415 18869 6279 1 17 . 1 1 97 97 SER H H 97 8.383 8.383 8.386 -0.003 18869 6280 1 17 . 1 1 98 98 ALA N N 98 126.790 126.790 124.535 2.255 18869 6281 1 17 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.100 -0.073 18869 6282 1 17 . 1 1 98 98 ALA C C 98 178.317 178.317 179.804 -1.487 18869 6283 1 17 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.776 0.531 18869 6284 1 17 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.343 1.415 18869 6285 1 17 . 1 1 98 98 ALA H H 98 7.771 7.771 7.616 0.155 18869 6286 1 17 . 1 1 99 99 MET N N 99 119.910 119.910 119.361 0.549 18869 6287 1 17 . 1 1 99 99 MET HA H 99 3.944 3.944 4.106 -0.162 18869 6288 1 17 . 1 1 99 99 MET C C 99 178.584 178.584 178.016 0.568 18869 6289 1 17 . 1 1 99 99 MET CA C 99 59.584 59.584 58.937 0.647 18869 6290 1 17 . 1 1 99 99 MET H H 99 7.856 7.856 7.886 -0.030 18869 6291 1 17 . 1 1 100 100 GLU N N 100 118.105 118.105 120.055 -1.950 18869 6292 1 17 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.956 0.027 18869 6293 1 17 . 1 1 100 100 GLU C C 100 180.292 180.292 178.899 1.393 18869 6294 1 17 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.930 -0.496 18869 6295 1 17 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.421 -0.173 18869 6296 1 17 . 1 1 100 100 GLU H H 100 8.255 8.255 8.119 0.136 18869 6297 1 17 . 1 1 101 101 ARG N N 101 120.780 120.780 118.358 2.422 18869 6298 1 17 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.176 -0.143 18869 6299 1 17 . 1 1 101 101 ARG C C 101 180.619 180.619 179.212 1.407 18869 6300 1 17 . 1 1 101 101 ARG CA C 101 60.797 60.797 57.729 3.068 18869 6301 1 17 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.765 1.040 18869 6302 1 17 . 1 1 101 101 ARG H H 101 7.973 7.973 7.680 0.293 18869 6303 1 17 . 1 1 102 102 LEU N N 102 125.866 125.866 122.777 3.089 18869 6304 1 17 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.156 -0.013 18869 6305 1 17 . 1 1 102 102 LEU C C 102 178.209 178.209 178.123 0.086 18869 6306 1 17 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.582 1.610 18869 6307 1 17 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.697 0.123 18869 6308 1 17 . 1 1 102 102 LEU H H 102 8.781 8.781 8.233 0.548 18869 6309 1 17 . 1 1 103 103 LYS N N 103 118.426 118.426 119.362 -0.936 18869 6310 1 17 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.902 -0.054 18869 6311 1 17 . 1 1 103 103 LYS C C 103 179.666 179.666 179.132 0.534 18869 6312 1 17 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.434 0.166 18869 6313 1 17 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.206 0.524 18869 6314 1 17 . 1 1 103 103 LYS H H 103 8.573 8.573 8.224 0.349 18869 6315 1 17 . 1 1 104 104 ARG N N 104 117.936 117.936 118.755 -0.819 18869 6316 1 17 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.027 0.023 18869 6317 1 17 . 1 1 104 104 ARG C C 104 179.190 179.190 178.863 0.327 18869 6318 1 17 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.321 0.215 18869 6319 1 17 . 1 1 104 104 ARG CB C 104 30.050 30.050 29.960 0.090 18869 6320 1 17 . 1 1 104 104 ARG H H 104 8.154 8.154 8.185 -0.031 18869 6321 1 17 . 1 1 105 105 GLY N N 105 110.339 110.339 108.419 1.920 18869 6322 1 17 . 1 1 105 105 GLY C C 105 174.974 174.974 176.126 -1.152 18869 6323 1 17 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.017 0.689 18869 6324 1 17 . 1 1 105 105 GLY H H 105 8.265 8.265 7.899 0.366 18869 6325 1 17 . 1 1 106 106 ILE N N 106 122.669 122.669 123.394 -0.725 18869 6326 1 17 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.815 -0.094 18869 6327 1 17 . 1 1 106 106 ILE C C 106 177.749 177.749 178.246 -0.497 18869 6328 1 17 . 1 1 106 106 ILE CA C 106 63.111 63.111 64.147 -1.036 18869 6329 1 17 . 1 1 106 106 ILE CB C 106 36.286 36.286 37.986 -1.700 18869 6330 1 17 . 1 1 106 106 ILE H H 106 8.028 8.028 7.605 0.423 18869 6331 1 17 . 1 1 107 107 ILE N N 107 119.626 119.626 119.343 0.283 18869 6332 1 17 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.520 0.132 18869 6333 1 17 . 1 1 107 107 ILE C C 107 179.292 179.292 178.147 1.145 18869 6334 1 17 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.873 -0.566 18869 6335 1 17 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.546 0.863 18869 6336 1 17 . 1 1 107 107 ILE H H 107 7.481 7.481 7.887 -0.406 18869 6337 1 17 . 1 1 108 108 HIS N N 108 120.644 120.644 119.214 1.430 18869 6338 1 17 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.260 0.442 18869 6339 1 17 . 1 1 108 108 HIS C C 108 177.121 177.121 177.089 0.032 18869 6340 1 17 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.369 -1.805 18869 6341 1 17 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.750 -0.306 18869 6342 1 17 . 1 1 108 108 HIS H H 108 8.396 8.396 7.922 0.474 18869 6343 1 17 . 1 1 109 109 ALA N N 109 121.460 121.460 122.438 -0.978 18869 6344 1 17 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.778 0.130 18869 6345 1 17 . 1 1 109 109 ALA C C 109 178.810 178.810 179.091 -0.281 18869 6346 1 17 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.289 0.286 18869 6347 1 17 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.258 -0.659 18869 6348 1 17 . 1 1 109 109 ALA H H 109 9.416 9.416 8.418 0.998 18869 6349 1 17 . 1 1 110 110 ARG N N 110 116.845 116.845 118.896 -2.051 18869 6350 1 17 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.069 -0.336 18869 6351 1 17 . 1 1 110 110 ARG C C 110 177.800 177.800 178.250 -0.450 18869 6352 1 17 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.969 1.462 18869 6353 1 17 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.256 0.634 18869 6354 1 17 . 1 1 110 110 ARG H H 110 8.579 8.579 8.285 0.294 18869 6355 1 17 . 1 1 111 111 ALA N N 111 120.689 120.689 122.838 -2.149 18869 6356 1 17 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.138 0.022 18869 6357 1 17 . 1 1 111 111 ALA C C 111 181.315 181.315 179.613 1.702 18869 6358 1 17 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.916 0.497 18869 6359 1 17 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.183 -0.117 18869 6360 1 17 . 1 1 111 111 ALA H H 111 7.808 7.808 7.476 0.332 18869 6361 1 17 . 1 1 112 112 LEU N N 112 119.511 119.511 118.822 0.689 18869 6362 1 17 . 1 1 112 112 LEU C C 112 179.788 179.788 179.440 0.348 18869 6363 1 17 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.582 0.415 18869 6364 1 17 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.664 1.209 18869 6365 1 17 . 1 1 112 112 LEU H H 112 8.308 8.308 7.552 0.756 18869 6366 1 17 . 1 1 113 113 VAL N N 113 119.879 119.879 118.361 1.518 18869 6367 1 17 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.545 0.009 18869 6368 1 17 . 1 1 113 113 VAL C C 113 178.238 178.238 177.667 0.571 18869 6369 1 17 . 1 1 113 113 VAL CA C 113 67.641 67.641 67.012 0.629 18869 6370 1 17 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.317 0.059 18869 6371 1 17 . 1 1 113 113 VAL H H 113 8.502 8.502 7.906 0.596 18869 6372 1 17 . 1 1 114 114 ARG N N 114 118.928 118.928 119.466 -0.538 18869 6373 1 17 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.942 0.047 18869 6374 1 17 . 1 1 114 114 ARG C C 114 179.368 179.368 178.654 0.714 18869 6375 1 17 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.519 0.688 18869 6376 1 17 . 1 1 114 114 ARG CB C 114 28.572 28.572 30.073 -1.501 18869 6377 1 17 . 1 1 114 114 ARG H H 114 8.335 8.335 7.660 0.675 18869 6378 1 17 . 1 1 115 115 GLU N N 115 120.444 120.444 118.346 2.098 18869 6379 1 17 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.107 0.101 18869 6380 1 17 . 1 1 115 115 GLU C C 115 178.931 178.931 179.030 -0.099 18869 6381 1 17 . 1 1 115 115 GLU CA C 115 59.283 59.283 59.026 0.257 18869 6382 1 17 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.311 -0.210 18869 6383 1 17 . 1 1 115 115 GLU H H 115 7.971 7.971 8.220 -0.249 18869 6384 1 17 . 1 1 116 116 CYS N N 116 118.789 118.789 119.715 -0.926 18869 6385 1 17 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.176 -0.069 18869 6386 1 17 . 1 1 116 116 CYS C C 116 177.264 177.264 176.633 0.631 18869 6387 1 17 . 1 1 116 116 CYS CA C 116 62.959 62.959 61.173 1.786 18869 6388 1 17 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.491 0.116 18869 6389 1 17 . 1 1 116 116 CYS H H 116 7.989 7.989 7.810 0.179 18869 6390 1 17 . 1 1 117 117 LEU N N 117 120.670 120.670 120.546 0.124 18869 6391 1 17 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.732 0.216 18869 6392 1 17 . 1 1 117 117 LEU C C 117 178.291 178.291 178.232 0.059 18869 6393 1 17 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.819 -0.550 18869 6394 1 17 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.542 0.691 18869 6395 1 17 . 1 1 117 117 LEU H H 117 8.028 8.028 7.946 0.082 18869 6396 1 17 . 1 1 118 118 ALA N N 118 122.520 122.520 120.509 2.011 18869 6397 1 17 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.121 0.083 18869 6398 1 17 . 1 1 118 118 ALA C C 118 179.805 179.805 179.323 0.482 18869 6399 1 17 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.793 -0.384 18869 6400 1 17 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.430 -0.060 18869 6401 1 17 . 1 1 118 118 ALA H H 118 8.000 8.000 7.673 0.327 18869 6402 1 17 . 1 1 119 119 GLU N N 119 118.901 118.901 115.897 3.004 18869 6403 1 17 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.174 0.010 18869 6404 1 17 . 1 1 119 119 GLU C C 119 178.082 178.082 178.703 -0.621 18869 6405 1 17 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.382 0.070 18869 6406 1 17 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.253 0.413 18869 6407 1 17 . 1 1 119 119 GLU H H 119 8.094 8.094 7.826 0.268 18869 6408 1 17 . 1 1 120 120 THR N N 120 113.828 113.828 116.734 -2.906 18869 6409 1 17 . 1 1 120 120 THR HA H 120 4.251 4.251 4.002 0.249 18869 6410 1 17 . 1 1 120 120 THR C C 120 176.051 176.051 175.521 0.530 18869 6411 1 17 . 1 1 120 120 THR CA C 120 64.664 64.664 66.043 -1.379 18869 6412 1 17 . 1 1 120 120 THR CB C 120 69.543 69.543 68.483 1.060 18869 6413 1 17 . 1 1 120 120 THR H H 120 7.976 7.976 7.983 -0.007 18869 6414 1 17 . 1 1 121 121 GLU N N 121 121.927 121.927 118.794 3.133 18869 6415 1 17 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.034 0.210 18869 6416 1 17 . 1 1 121 121 GLU C C 121 177.730 177.730 177.778 -0.048 18869 6417 1 17 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.404 -0.480 18869 6418 1 17 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.738 0.164 18869 6419 1 17 . 1 1 121 121 GLU H H 121 8.073 8.073 7.800 0.273 18869 6420 1 17 . 1 1 122 122 ARG N N 122 120.226 120.226 116.175 4.051 18869 6421 1 17 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.201 0.053 18869 6422 1 17 . 1 1 122 122 ARG C C 122 177.289 177.289 176.802 0.487 18869 6423 1 17 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.103 0.608 18869 6424 1 17 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.433 0.390 18869 6425 1 17 . 1 1 122 122 ARG H H 122 8.081 8.081 7.325 0.756 18869 6426 1 17 . 1 1 123 123 ASN N N 123 118.062 118.062 118.583 -0.521 18869 6427 1 17 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.653 0.089 18869 6428 1 17 . 1 1 123 123 ASN C C 123 175.035 175.035 174.288 0.747 18869 6429 1 17 . 1 1 123 123 ASN CA C 123 53.720 53.720 52.862 0.858 18869 6430 1 17 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.659 0.383 18869 6431 1 17 . 1 1 123 123 ASN H H 123 8.229 8.229 7.559 0.670 18869 6432 1 17 . 1 1 124 124 ALA N N 124 123.469 123.469 127.290 -3.821 18869 6433 1 17 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.449 -0.057 18869 6434 1 17 . 1 1 124 124 ALA C C 124 177.587 177.587 177.276 0.311 18869 6435 1 17 . 1 1 124 124 ALA CA C 124 52.779 52.779 51.316 1.463 18869 6436 1 17 . 1 1 124 124 ALA CB C 124 19.365 19.365 20.618 -1.253 18869 6437 1 17 . 1 1 124 124 ALA H H 124 7.989 7.989 8.271 -0.282 18869 6438 1 17 . 1 1 125 125 ARG N N 125 120.186 120.186 123.132 -2.946 18869 6439 1 17 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.266 0.220 18869 6440 1 17 . 1 1 125 125 ARG C C 125 175.804 175.804 175.866 -0.062 18869 6441 1 17 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.237 0.015 18869 6442 1 17 . 1 1 125 125 ARG CB C 125 30.858 30.858 28.941 1.917 18869 6443 1 17 . 1 1 125 125 ARG H H 125 8.200 8.200 8.669 -0.469 18869 6444 1 18 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.680 0.057 18869 6445 1 18 . 1 1 59 59 HIS C C 59 174.845 174.845 174.357 0.488 18869 6446 1 18 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.275 0.157 18869 6447 1 18 . 1 1 59 59 HIS CB C 59 30.554 30.554 29.895 0.659 18869 6448 1 18 . 1 1 60 60 MET N N 60 121.666 121.666 126.264 -4.598 18869 6449 1 18 . 1 1 60 60 MET HA H 60 4.462 4.462 4.627 -0.165 18869 6450 1 18 . 1 1 60 60 MET C C 60 175.495 175.495 174.221 1.274 18869 6451 1 18 . 1 1 60 60 MET CA C 60 55.475 55.475 55.371 0.104 18869 6452 1 18 . 1 1 60 60 MET H H 60 8.324 8.324 8.281 0.043 18869 6453 1 18 . 1 1 61 61 ALA N N 61 125.934 125.934 128.000 -2.066 18869 6454 1 18 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.623 -0.276 18869 6455 1 18 . 1 1 61 61 ALA C C 61 177.394 177.394 176.279 1.115 18869 6456 1 18 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.828 0.744 18869 6457 1 18 . 1 1 61 61 ALA CB C 61 19.475 19.475 20.238 -0.763 18869 6458 1 18 . 1 1 61 61 ALA H H 61 8.438 8.438 8.292 0.146 18869 6459 1 18 . 1 1 62 62 MET N N 62 120.125 120.125 119.991 0.134 18869 6460 1 18 . 1 1 62 62 MET HA H 62 4.489 4.489 4.445 0.044 18869 6461 1 18 . 1 1 62 62 MET C C 62 175.850 175.850 176.320 -0.470 18869 6462 1 18 . 1 1 62 62 MET CA C 62 55.350 55.350 55.467 -0.117 18869 6463 1 18 . 1 1 62 62 MET H H 62 8.369 8.369 8.367 0.002 18869 6464 1 18 . 1 1 63 63 LYS N N 63 124.280 124.280 121.216 3.064 18869 6465 1 18 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.262 0.383 18869 6466 1 18 . 1 1 63 63 LYS C C 63 173.722 173.722 174.161 -0.439 18869 6467 1 18 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.954 -1.712 18869 6468 1 18 . 1 1 63 63 LYS CB C 63 32.640 32.640 31.487 1.153 18869 6469 1 18 . 1 1 63 63 LYS H H 63 8.390 8.390 7.953 0.437 18869 6470 1 18 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.571 0.172 18869 6471 1 18 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.849 -0.293 18869 6472 1 18 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.746 -0.799 18869 6473 1 18 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.301 0.162 18869 6474 1 18 . 1 1 65 65 PRO C C 65 177.677 177.677 176.952 0.725 18869 6475 1 18 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.154 0.325 18869 6476 1 18 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.188 0.901 18869 6477 1 18 . 1 1 66 66 GLY N N 66 109.177 109.177 110.822 -1.645 18869 6478 1 18 . 1 1 66 66 GLY C C 66 173.968 173.968 174.534 -0.566 18869 6479 1 18 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.569 0.679 18869 6480 1 18 . 1 1 66 66 GLY H H 66 8.501 8.501 7.843 0.658 18869 6481 1 18 . 1 1 67 67 ALA N N 67 123.867 123.867 120.456 3.411 18869 6482 1 18 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.083 0.305 18869 6483 1 18 . 1 1 67 67 ALA C C 67 177.984 177.984 177.338 0.646 18869 6484 1 18 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.991 -0.433 18869 6485 1 18 . 1 1 67 67 ALA CB C 67 19.392 19.392 17.869 1.524 18869 6486 1 18 . 1 1 67 67 ALA H H 67 8.224 8.224 8.276 -0.052 18869 6487 1 18 . 1 1 68 68 GLN N N 68 119.754 119.754 119.881 -0.127 18869 6488 1 18 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.237 0.152 18869 6489 1 18 . 1 1 68 68 GLN C C 68 176.666 176.666 175.863 0.803 18869 6490 1 18 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.918 0.340 18869 6491 1 18 . 1 1 68 68 GLN CB C 68 29.511 29.511 28.175 1.336 18869 6492 1 18 . 1 1 68 68 GLN H H 68 8.540 8.540 8.234 0.306 18869 6493 1 18 . 1 1 69 69 GLY N N 69 110.258 110.258 114.153 -3.895 18869 6494 1 18 . 1 1 69 69 GLY C C 69 174.333 174.333 172.734 1.599 18869 6495 1 18 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.806 0.710 18869 6496 1 18 . 1 1 69 69 GLY H H 69 8.516 8.516 8.063 0.453 18869 6497 1 18 . 1 1 70 70 SER N N 70 116.141 116.141 113.738 2.403 18869 6498 1 18 . 1 1 70 70 SER HA H 70 4.504 4.504 4.550 -0.046 18869 6499 1 18 . 1 1 70 70 SER C C 70 174.792 174.792 175.388 -0.596 18869 6500 1 18 . 1 1 70 70 SER CA C 70 58.792 58.792 57.473 1.319 18869 6501 1 18 . 1 1 70 70 SER CB C 70 64.011 64.011 64.106 -0.094 18869 6502 1 18 . 1 1 70 70 SER H H 70 8.387 8.387 8.119 0.268 18869 6503 1 18 . 1 1 71 71 GLN N N 71 122.245 122.245 121.465 0.780 18869 6504 1 18 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.120 0.284 18869 6505 1 18 . 1 1 71 71 GLN C C 71 176.805 176.805 177.010 -0.205 18869 6506 1 18 . 1 1 71 71 GLN CA C 71 57.233 57.233 58.377 -1.144 18869 6507 1 18 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.252 0.859 18869 6508 1 18 . 1 1 71 71 GLN H H 71 8.639 8.639 8.794 -0.155 18869 6509 1 18 . 1 1 72 72 SER N N 72 116.778 116.778 113.458 3.320 18869 6510 1 18 . 1 1 72 72 SER HA H 72 4.536 4.536 4.194 0.342 18869 6511 1 18 . 1 1 72 72 SER C C 72 175.305 175.305 176.344 -1.039 18869 6512 1 18 . 1 1 72 72 SER CA C 72 59.356 59.356 60.181 -0.825 18869 6513 1 18 . 1 1 72 72 SER CB C 72 63.977 63.977 62.404 1.573 18869 6514 1 18 . 1 1 72 72 SER H H 72 8.516 8.516 8.118 0.398 18869 6515 1 18 . 1 1 73 73 THR N N 73 119.063 119.063 117.053 2.010 18869 6516 1 18 . 1 1 73 73 THR HA H 73 4.045 4.045 4.142 -0.097 18869 6517 1 18 . 1 1 73 73 THR C C 73 176.016 176.016 175.454 0.562 18869 6518 1 18 . 1 1 73 73 THR CA C 73 65.705 65.705 65.004 0.701 18869 6519 1 18 . 1 1 73 73 THR CB C 73 68.743 68.743 69.083 -0.340 18869 6520 1 18 . 1 1 73 73 THR H H 73 8.305 8.305 7.559 0.746 18869 6521 1 18 . 1 1 74 74 TYR N N 74 118.707 118.707 119.638 -0.931 18869 6522 1 18 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.521 -0.247 18869 6523 1 18 . 1 1 74 74 TYR C C 74 177.613 177.613 177.247 0.366 18869 6524 1 18 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.766 1.338 18869 6525 1 18 . 1 1 74 74 TYR CB C 74 38.117 38.117 39.125 -1.008 18869 6526 1 18 . 1 1 74 74 TYR H H 74 7.905 7.905 7.877 0.028 18869 6527 1 18 . 1 1 75 75 THR N N 75 114.583 114.583 116.673 -2.090 18869 6528 1 18 . 1 1 75 75 THR HA H 75 3.992 3.992 3.827 0.165 18869 6529 1 18 . 1 1 75 75 THR C C 75 177.381 177.381 175.919 1.462 18869 6530 1 18 . 1 1 75 75 THR CA C 75 66.363 66.363 66.440 -0.077 18869 6531 1 18 . 1 1 75 75 THR CB C 75 68.324 68.324 67.829 0.495 18869 6532 1 18 . 1 1 75 75 THR H H 75 8.027 8.027 7.931 0.096 18869 6533 1 18 . 1 1 76 76 ASP N N 76 124.495 124.495 122.319 2.176 18869 6534 1 18 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.321 0.176 18869 6535 1 18 . 1 1 76 76 ASP C C 76 178.510 178.510 178.012 0.498 18869 6536 1 18 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.868 -0.581 18869 6537 1 18 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.357 -0.128 18869 6538 1 18 . 1 1 76 76 ASP H H 76 8.293 8.293 7.978 0.315 18869 6539 1 18 . 1 1 77 77 LEU N N 77 121.803 121.803 120.693 1.110 18869 6540 1 18 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.962 0.041 18869 6541 1 18 . 1 1 77 77 LEU C C 77 177.976 177.976 177.498 0.478 18869 6542 1 18 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.612 0.411 18869 6543 1 18 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.575 0.347 18869 6544 1 18 . 1 1 77 77 LEU H H 77 8.301 8.301 7.413 0.888 18869 6545 1 18 . 1 1 78 78 LEU N N 78 119.070 119.070 119.214 -0.144 18869 6546 1 18 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.814 0.223 18869 6547 1 18 . 1 1 78 78 LEU C C 78 179.095 179.095 178.167 0.928 18869 6548 1 18 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.201 0.445 18869 6549 1 18 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.321 -0.004 18869 6550 1 18 . 1 1 78 78 LEU H H 78 8.380 8.380 7.475 0.905 18869 6551 1 18 . 1 1 79 79 SER N N 79 114.297 114.297 114.849 -0.552 18869 6552 1 18 . 1 1 79 79 SER HA H 79 4.337 4.337 4.170 0.167 18869 6553 1 18 . 1 1 79 79 SER C C 79 176.729 176.729 176.750 -0.021 18869 6554 1 18 . 1 1 79 79 SER CA C 79 62.031 62.031 61.734 0.297 18869 6555 1 18 . 1 1 79 79 SER CB C 79 62.761 62.761 62.501 0.260 18869 6556 1 18 . 1 1 79 79 SER H H 79 7.976 7.976 7.497 0.479 18869 6557 1 18 . 1 1 80 80 VAL N N 80 122.776 122.776 122.303 0.473 18869 6558 1 18 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.701 0.160 18869 6559 1 18 . 1 1 80 80 VAL C C 80 178.463 178.463 177.771 0.692 18869 6560 1 18 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.718 -0.523 18869 6561 1 18 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.426 0.486 18869 6562 1 18 . 1 1 80 80 VAL H H 80 8.126 8.126 7.713 0.413 18869 6563 1 18 . 1 1 81 81 ILE N N 81 121.312 121.312 119.926 1.386 18869 6564 1 18 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.648 0.147 18869 6565 1 18 . 1 1 81 81 ILE C C 81 177.475 177.475 178.382 -0.907 18869 6566 1 18 . 1 1 81 81 ILE CA C 81 65.125 65.125 64.302 0.823 18869 6567 1 18 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.166 1.564 18869 6568 1 18 . 1 1 81 81 ILE H H 81 8.236 8.236 8.214 0.022 18869 6569 1 18 . 1 1 82 82 GLU N N 82 119.637 119.637 118.917 0.720 18869 6570 1 18 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.053 0.106 18869 6571 1 18 . 1 1 82 82 GLU C C 82 180.592 180.592 179.937 0.655 18869 6572 1 18 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.210 -0.032 18869 6573 1 18 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.082 0.185 18869 6574 1 18 . 1 1 82 82 GLU H H 82 8.326 8.326 7.787 0.539 18869 6575 1 18 . 1 1 83 83 GLU N N 83 119.955 119.955 120.147 -0.192 18869 6576 1 18 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.153 -0.094 18869 6577 1 18 . 1 1 83 83 GLU C C 83 179.428 179.428 179.026 0.402 18869 6578 1 18 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.551 1.039 18869 6579 1 18 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.375 -0.104 18869 6580 1 18 . 1 1 83 83 GLU H H 83 8.383 8.383 8.222 0.161 18869 6581 1 18 . 1 1 84 84 MET N N 84 118.367 118.367 118.642 -0.275 18869 6582 1 18 . 1 1 84 84 MET HA H 84 4.066 4.066 4.380 -0.314 18869 6583 1 18 . 1 1 84 84 MET C C 84 179.303 179.303 178.923 0.380 18869 6584 1 18 . 1 1 84 84 MET CA C 84 60.047 60.047 59.069 0.978 18869 6585 1 18 . 1 1 84 84 MET CB C 84 34.431 34.431 32.784 1.647 18869 6586 1 18 . 1 1 84 84 MET H H 84 8.335 8.335 8.413 -0.078 18869 6587 1 18 . 1 1 85 85 GLY N N 85 104.067 104.067 103.918 0.149 18869 6588 1 18 . 1 1 85 85 GLY C C 85 176.612 176.612 174.928 1.684 18869 6589 1 18 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.375 1.168 18869 6590 1 18 . 1 1 85 85 GLY H H 85 8.219 8.219 8.031 0.188 18869 6591 1 18 . 1 1 86 86 LYS N N 86 119.651 119.651 118.936 0.715 18869 6592 1 18 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.399 -0.126 18869 6593 1 18 . 1 1 86 86 LYS C C 86 177.390 177.390 178.347 -0.957 18869 6594 1 18 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.224 0.257 18869 6595 1 18 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.974 -0.380 18869 6596 1 18 . 1 1 86 86 LYS H H 86 7.585 7.585 7.455 0.130 18869 6597 1 18 . 1 1 87 87 GLU N N 87 114.250 114.250 120.380 -6.130 18869 6598 1 18 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.182 1.003 18869 6599 1 18 . 1 1 87 87 GLU C C 87 179.381 179.381 178.297 1.084 18869 6600 1 18 . 1 1 87 87 GLU CA C 87 54.803 54.803 58.023 -3.220 18869 6601 1 18 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.368 0.264 18869 6602 1 18 . 1 1 87 87 GLU H H 87 7.710 7.710 7.637 0.073 18869 6603 1 18 . 1 1 88 88 ILE N N 88 122.587 122.587 120.420 2.167 18869 6604 1 18 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.706 -0.230 18869 6605 1 18 . 1 1 88 88 ILE C C 88 175.990 175.990 177.505 -1.515 18869 6606 1 18 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.266 2.245 18869 6607 1 18 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.592 0.367 18869 6608 1 18 . 1 1 88 88 ILE H H 88 7.471 7.471 7.797 -0.326 18869 6609 1 18 . 1 1 89 89 ARG N N 89 118.954 118.954 120.479 -1.525 18869 6610 1 18 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.252 0.117 18869 6611 1 18 . 1 1 89 89 ARG C C 89 176.834 176.834 175.602 1.232 18869 6612 1 18 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.699 -0.310 18869 6613 1 18 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.524 -1.626 18869 6614 1 18 . 1 1 89 89 ARG H H 89 8.983 8.983 7.641 1.342 18869 6615 1 18 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.375 0.162 18869 6616 1 18 . 1 1 90 90 PRO C C 90 178.848 178.848 178.380 0.468 18869 6617 1 18 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.635 0.335 18869 6618 1 18 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.301 -1.039 18869 6619 1 18 . 1 1 91 91 THR N N 91 118.284 118.284 116.569 1.715 18869 6620 1 18 . 1 1 91 91 THR HA H 91 4.461 4.461 4.261 0.200 18869 6621 1 18 . 1 1 91 91 THR C C 91 176.982 176.982 177.053 -0.071 18869 6622 1 18 . 1 1 91 91 THR CA C 91 67.247 67.247 67.329 -0.082 18869 6623 1 18 . 1 1 91 91 THR CB C 91 69.454 69.454 68.623 0.831 18869 6624 1 18 . 1 1 91 91 THR H H 91 7.734 7.734 7.740 -0.006 18869 6625 1 18 . 1 1 92 92 TYR N N 92 123.739 123.739 122.729 1.010 18869 6626 1 18 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.233 0.611 18869 6627 1 18 . 1 1 92 92 TYR C C 92 177.320 177.320 175.850 1.470 18869 6628 1 18 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.518 -1.710 18869 6629 1 18 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.419 0.782 18869 6630 1 18 . 1 1 92 92 TYR H H 92 8.420 8.420 8.256 0.164 18869 6631 1 18 . 1 1 93 93 ALA N N 93 120.159 120.159 118.153 2.006 18869 6632 1 18 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.286 -0.115 18869 6633 1 18 . 1 1 93 93 ALA C C 93 177.685 177.685 177.797 -0.112 18869 6634 1 18 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.052 -0.073 18869 6635 1 18 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.078 -0.567 18869 6636 1 18 . 1 1 93 93 ALA H H 93 7.929 7.929 7.489 0.440 18869 6637 1 18 . 1 1 94 94 GLY N N 94 108.770 108.770 106.565 2.205 18869 6638 1 18 . 1 1 94 94 GLY C C 94 174.896 174.896 174.867 0.029 18869 6639 1 18 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.080 0.802 18869 6640 1 18 . 1 1 94 94 GLY H H 94 8.311 8.311 7.712 0.599 18869 6641 1 18 . 1 1 95 95 SER N N 95 115.316 115.316 119.372 -4.056 18869 6642 1 18 . 1 1 95 95 SER HA H 95 4.774 4.774 4.563 0.211 18869 6643 1 18 . 1 1 95 95 SER C C 95 175.089 175.089 175.040 0.049 18869 6644 1 18 . 1 1 95 95 SER CA C 95 57.083 57.083 57.675 -0.592 18869 6645 1 18 . 1 1 95 95 SER CB C 95 62.543 62.543 62.679 -0.136 18869 6646 1 18 . 1 1 95 95 SER H H 95 8.363 8.363 7.899 0.464 18869 6647 1 18 . 1 1 96 96 LYS N N 96 134.180 134.180 128.315 5.865 18869 6648 1 18 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.947 0.037 18869 6649 1 18 . 1 1 96 96 LYS C C 96 178.195 178.195 178.610 -0.415 18869 6650 1 18 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.511 0.385 18869 6651 1 18 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.647 1.300 18869 6652 1 18 . 1 1 96 96 LYS H H 96 9.099 9.099 8.277 0.822 18869 6653 1 18 . 1 1 97 97 SER N N 97 113.650 113.650 115.035 -1.385 18869 6654 1 18 . 1 1 97 97 SER HA H 97 4.230 4.230 4.159 0.071 18869 6655 1 18 . 1 1 97 97 SER C C 97 177.304 177.304 176.093 1.211 18869 6656 1 18 . 1 1 97 97 SER CA C 97 61.152 61.152 61.137 0.015 18869 6657 1 18 . 1 1 97 97 SER CB C 97 62.101 62.101 62.725 -0.624 18869 6658 1 18 . 1 1 97 97 SER H H 97 8.383 8.383 8.402 -0.019 18869 6659 1 18 . 1 1 98 98 ALA N N 98 126.790 126.790 123.429 3.361 18869 6660 1 18 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.016 0.011 18869 6661 1 18 . 1 1 98 98 ALA C C 98 178.317 178.317 179.271 -0.954 18869 6662 1 18 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.744 0.563 18869 6663 1 18 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.297 1.461 18869 6664 1 18 . 1 1 98 98 ALA H H 98 7.771 7.771 8.179 -0.408 18869 6665 1 18 . 1 1 99 99 MET N N 99 119.910 119.910 119.879 0.031 18869 6666 1 18 . 1 1 99 99 MET HA H 99 3.944 3.944 4.088 -0.144 18869 6667 1 18 . 1 1 99 99 MET C C 99 178.584 178.584 178.008 0.576 18869 6668 1 18 . 1 1 99 99 MET CA C 99 59.584 59.584 59.001 0.583 18869 6669 1 18 . 1 1 99 99 MET H H 99 7.856 7.856 7.857 -0.001 18869 6670 1 18 . 1 1 100 100 GLU N N 100 118.105 118.105 119.499 -1.394 18869 6671 1 18 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.911 0.072 18869 6672 1 18 . 1 1 100 100 GLU C C 100 180.292 180.292 178.883 1.409 18869 6673 1 18 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.840 -0.406 18869 6674 1 18 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.505 -0.257 18869 6675 1 18 . 1 1 100 100 GLU H H 100 8.255 8.255 8.005 0.250 18869 6676 1 18 . 1 1 101 101 ARG N N 101 120.780 120.780 119.405 1.375 18869 6677 1 18 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.069 -0.036 18869 6678 1 18 . 1 1 101 101 ARG C C 101 180.619 180.619 178.977 1.642 18869 6679 1 18 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.566 2.231 18869 6680 1 18 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.662 1.143 18869 6681 1 18 . 1 1 101 101 ARG H H 101 7.973 7.973 7.612 0.361 18869 6682 1 18 . 1 1 102 102 LEU N N 102 125.866 125.866 121.462 4.404 18869 6683 1 18 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.088 0.055 18869 6684 1 18 . 1 1 102 102 LEU C C 102 178.209 178.209 178.706 -0.497 18869 6685 1 18 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.921 1.271 18869 6686 1 18 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.738 0.082 18869 6687 1 18 . 1 1 102 102 LEU H H 102 8.781 8.781 8.188 0.593 18869 6688 1 18 . 1 1 103 103 LYS N N 103 118.426 118.426 118.043 0.383 18869 6689 1 18 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.928 -0.080 18869 6690 1 18 . 1 1 103 103 LYS C C 103 179.666 179.666 179.082 0.584 18869 6691 1 18 . 1 1 103 103 LYS CA C 103 60.600 60.600 59.947 0.653 18869 6692 1 18 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.206 0.525 18869 6693 1 18 . 1 1 103 103 LYS H H 103 8.573 8.573 8.011 0.561 18869 6694 1 18 . 1 1 104 104 ARG N N 104 117.936 117.936 120.193 -2.257 18869 6695 1 18 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.080 -0.030 18869 6696 1 18 . 1 1 104 104 ARG C C 104 179.190 179.190 178.683 0.507 18869 6697 1 18 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.039 0.497 18869 6698 1 18 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.165 -0.115 18869 6699 1 18 . 1 1 104 104 ARG H H 104 8.154 8.154 8.087 0.067 18869 6700 1 18 . 1 1 105 105 GLY N N 105 110.339 110.339 107.348 2.991 18869 6701 1 18 . 1 1 105 105 GLY C C 105 174.974 174.974 176.209 -1.235 18869 6702 1 18 . 1 1 105 105 GLY CA C 105 47.706 47.706 46.954 0.752 18869 6703 1 18 . 1 1 105 105 GLY H H 105 8.265 8.265 8.436 -0.171 18869 6704 1 18 . 1 1 106 106 ILE N N 106 122.669 122.669 122.231 0.438 18869 6705 1 18 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.834 -0.113 18869 6706 1 18 . 1 1 106 106 ILE C C 106 177.749 177.749 177.995 -0.246 18869 6707 1 18 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.707 -0.596 18869 6708 1 18 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.193 -1.907 18869 6709 1 18 . 1 1 106 106 ILE H H 106 8.028 8.028 7.137 0.891 18869 6710 1 18 . 1 1 107 107 ILE N N 107 119.626 119.626 120.071 -0.445 18869 6711 1 18 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.609 0.043 18869 6712 1 18 . 1 1 107 107 ILE C C 107 179.292 179.292 177.727 1.565 18869 6713 1 18 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.358 -0.051 18869 6714 1 18 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.489 0.920 18869 6715 1 18 . 1 1 107 107 ILE H H 107 7.481 7.481 7.505 -0.024 18869 6716 1 18 . 1 1 108 108 HIS N N 108 120.644 120.644 118.568 2.076 18869 6717 1 18 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.273 0.429 18869 6718 1 18 . 1 1 108 108 HIS C C 108 177.121 177.121 176.791 0.330 18869 6719 1 18 . 1 1 108 108 HIS CA C 108 57.564 57.564 58.909 -1.345 18869 6720 1 18 . 1 1 108 108 HIS CB C 108 30.444 30.444 31.169 -0.725 18869 6721 1 18 . 1 1 108 108 HIS H H 108 8.396 8.396 7.685 0.711 18869 6722 1 18 . 1 1 109 109 ALA N N 109 121.460 121.460 121.539 -0.079 18869 6723 1 18 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.891 0.017 18869 6724 1 18 . 1 1 109 109 ALA C C 109 178.810 178.810 179.334 -0.524 18869 6725 1 18 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.111 0.465 18869 6726 1 18 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.352 -0.753 18869 6727 1 18 . 1 1 109 109 ALA H H 109 9.416 9.416 8.260 1.156 18869 6728 1 18 . 1 1 110 110 ARG N N 110 116.845 116.845 117.838 -0.993 18869 6729 1 18 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.029 -0.296 18869 6730 1 18 . 1 1 110 110 ARG C C 110 177.800 177.800 178.044 -0.244 18869 6731 1 18 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.187 1.244 18869 6732 1 18 . 1 1 110 110 ARG CB C 110 30.890 30.890 29.811 1.079 18869 6733 1 18 . 1 1 110 110 ARG H H 110 8.579 8.579 8.394 0.185 18869 6734 1 18 . 1 1 111 111 ALA N N 111 120.689 120.689 122.696 -2.007 18869 6735 1 18 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.158 0.002 18869 6736 1 18 . 1 1 111 111 ALA C C 111 181.315 181.315 179.721 1.594 18869 6737 1 18 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.658 0.754 18869 6738 1 18 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.153 -0.087 18869 6739 1 18 . 1 1 111 111 ALA H H 111 7.808 7.808 7.561 0.247 18869 6740 1 18 . 1 1 112 112 LEU N N 112 119.511 119.511 118.634 0.877 18869 6741 1 18 . 1 1 112 112 LEU C C 112 179.788 179.788 179.392 0.396 18869 6742 1 18 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.449 0.548 18869 6743 1 18 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.685 1.188 18869 6744 1 18 . 1 1 112 112 LEU H H 112 8.308 8.308 7.756 0.552 18869 6745 1 18 . 1 1 113 113 VAL N N 113 119.879 119.879 117.780 2.099 18869 6746 1 18 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.587 -0.033 18869 6747 1 18 . 1 1 113 113 VAL C C 113 178.238 178.238 177.837 0.401 18869 6748 1 18 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.439 1.202 18869 6749 1 18 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.575 -0.199 18869 6750 1 18 . 1 1 113 113 VAL H H 113 8.502 8.502 7.494 1.008 18869 6751 1 18 . 1 1 114 114 ARG N N 114 118.928 118.928 119.966 -1.038 18869 6752 1 18 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.988 0.001 18869 6753 1 18 . 1 1 114 114 ARG C C 114 179.368 179.368 178.423 0.945 18869 6754 1 18 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.566 0.642 18869 6755 1 18 . 1 1 114 114 ARG CB C 114 28.572 28.572 30.253 -1.681 18869 6756 1 18 . 1 1 114 114 ARG H H 114 8.335 8.335 8.124 0.211 18869 6757 1 18 . 1 1 115 115 GLU N N 115 120.444 120.444 117.682 2.762 18869 6758 1 18 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.129 0.079 18869 6759 1 18 . 1 1 115 115 GLU C C 115 178.931 178.931 178.223 0.708 18869 6760 1 18 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.869 0.414 18869 6761 1 18 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.360 -0.259 18869 6762 1 18 . 1 1 115 115 GLU H H 115 7.971 7.971 8.208 -0.237 18869 6763 1 18 . 1 1 116 116 CYS N N 116 118.789 118.789 116.853 1.936 18869 6764 1 18 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.422 -0.315 18869 6765 1 18 . 1 1 116 116 CYS C C 116 177.264 177.264 176.658 0.606 18869 6766 1 18 . 1 1 116 116 CYS CA C 116 62.959 62.959 60.830 2.129 18869 6767 1 18 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.534 -0.927 18869 6768 1 18 . 1 1 116 116 CYS H H 116 7.989 7.989 7.329 0.660 18869 6769 1 18 . 1 1 117 117 LEU N N 117 120.670 120.670 121.892 -1.222 18869 6770 1 18 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.795 0.153 18869 6771 1 18 . 1 1 117 117 LEU C C 117 178.291 178.291 178.765 -0.474 18869 6772 1 18 . 1 1 117 117 LEU CA C 117 57.269 57.269 58.146 -0.877 18869 6773 1 18 . 1 1 117 117 LEU CB C 117 42.233 42.233 40.971 1.262 18869 6774 1 18 . 1 1 117 117 LEU H H 117 8.028 8.028 7.804 0.224 18869 6775 1 18 . 1 1 118 118 ALA N N 118 122.520 122.520 120.277 2.243 18869 6776 1 18 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.960 0.244 18869 6777 1 18 . 1 1 118 118 ALA C C 118 179.805 179.805 179.344 0.461 18869 6778 1 18 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.033 -0.624 18869 6779 1 18 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.133 0.237 18869 6780 1 18 . 1 1 118 118 ALA H H 118 8.000 8.000 8.092 -0.092 18869 6781 1 18 . 1 1 119 119 GLU N N 119 118.901 118.901 117.818 1.083 18869 6782 1 18 . 1 1 119 119 GLU HA H 119 4.184 4.184 3.999 0.185 18869 6783 1 18 . 1 1 119 119 GLU C C 119 178.082 178.082 178.877 -0.795 18869 6784 1 18 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.859 -0.407 18869 6785 1 18 . 1 1 119 119 GLU CB C 119 29.666 29.666 28.944 0.722 18869 6786 1 18 . 1 1 119 119 GLU H H 119 8.094 8.094 8.633 -0.539 18869 6787 1 18 . 1 1 120 120 THR N N 120 113.828 113.828 116.814 -2.986 18869 6788 1 18 . 1 1 120 120 THR HA H 120 4.251 4.251 3.941 0.310 18869 6789 1 18 . 1 1 120 120 THR C C 120 176.051 176.051 175.792 0.259 18869 6790 1 18 . 1 1 120 120 THR CA C 120 64.664 64.664 66.651 -1.987 18869 6791 1 18 . 1 1 120 120 THR CB C 120 69.543 69.543 68.665 0.878 18869 6792 1 18 . 1 1 120 120 THR H H 120 7.976 7.976 7.965 0.011 18869 6793 1 18 . 1 1 121 121 GLU N N 121 121.927 121.927 120.318 1.609 18869 6794 1 18 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.052 0.192 18869 6795 1 18 . 1 1 121 121 GLU C C 121 177.730 177.730 177.708 0.022 18869 6796 1 18 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.159 -0.235 18869 6797 1 18 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.677 0.225 18869 6798 1 18 . 1 1 121 121 GLU H H 121 8.073 8.073 7.697 0.376 18869 6799 1 18 . 1 1 122 122 ARG N N 122 120.226 120.226 118.419 1.807 18869 6800 1 18 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.168 0.086 18869 6801 1 18 . 1 1 122 122 ARG C C 122 177.289 177.289 176.513 0.776 18869 6802 1 18 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.166 0.545 18869 6803 1 18 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.327 0.495 18869 6804 1 18 . 1 1 122 122 ARG H H 122 8.081 8.081 7.529 0.552 18869 6805 1 18 . 1 1 123 123 ASN N N 123 118.062 118.062 117.681 0.381 18869 6806 1 18 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.744 -0.002 18869 6807 1 18 . 1 1 123 123 ASN C C 123 175.035 175.035 174.758 0.277 18869 6808 1 18 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.300 0.420 18869 6809 1 18 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.348 -0.306 18869 6810 1 18 . 1 1 123 123 ASN H H 123 8.229 8.229 7.478 0.751 18869 6811 1 18 . 1 1 124 124 ALA N N 124 123.469 123.469 120.717 2.752 18869 6812 1 18 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.263 0.129 18869 6813 1 18 . 1 1 124 124 ALA C C 124 177.587 177.587 177.724 -0.137 18869 6814 1 18 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.374 0.405 18869 6815 1 18 . 1 1 124 124 ALA CB C 124 19.365 19.365 18.964 0.401 18869 6816 1 18 . 1 1 124 124 ALA H H 124 7.989 7.989 8.610 -0.621 18869 6817 1 18 . 1 1 125 125 ARG N N 125 120.186 120.186 121.191 -1.005 18869 6818 1 18 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.330 0.156 18869 6819 1 18 . 1 1 125 125 ARG C C 125 175.804 175.804 175.323 0.481 18869 6820 1 18 . 1 1 125 125 ARG CA C 125 56.252 56.252 55.452 0.800 18869 6821 1 18 . 1 1 125 125 ARG CB C 125 30.858 30.858 28.580 2.278 18869 6822 1 18 . 1 1 125 125 ARG H H 125 8.200 8.200 8.013 0.187 18869 6823 1 19 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.839 -0.102 18869 6824 1 19 . 1 1 59 59 HIS C C 59 174.845 174.845 174.804 0.041 18869 6825 1 19 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.780 0.652 18869 6826 1 19 . 1 1 59 59 HIS CB C 59 30.554 30.554 29.152 1.402 18869 6827 1 19 . 1 1 60 60 MET N N 60 121.666 121.666 123.422 -1.756 18869 6828 1 19 . 1 1 60 60 MET HA H 60 4.462 4.462 4.420 0.042 18869 6829 1 19 . 1 1 60 60 MET C C 60 175.495 175.495 176.495 -1.000 18869 6830 1 19 . 1 1 60 60 MET CA C 60 55.475 55.475 55.287 0.188 18869 6831 1 19 . 1 1 60 60 MET H H 60 8.324 8.324 8.480 -0.156 18869 6832 1 19 . 1 1 61 61 ALA N N 61 125.934 125.934 130.359 -4.425 18869 6833 1 19 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.560 -0.213 18869 6834 1 19 . 1 1 61 61 ALA C C 61 177.394 177.394 176.254 1.140 18869 6835 1 19 . 1 1 61 61 ALA CA C 61 52.572 52.572 51.700 0.872 18869 6836 1 19 . 1 1 61 61 ALA CB C 61 19.475 19.475 18.006 1.469 18869 6837 1 19 . 1 1 61 61 ALA H H 61 8.438 8.438 8.749 -0.311 18869 6838 1 19 . 1 1 62 62 MET N N 62 120.125 120.125 121.680 -1.555 18869 6839 1 19 . 1 1 62 62 MET HA H 62 4.489 4.489 4.661 -0.172 18869 6840 1 19 . 1 1 62 62 MET C C 62 175.850 175.850 175.243 0.607 18869 6841 1 19 . 1 1 62 62 MET CA C 62 55.350 55.350 55.478 -0.128 18869 6842 1 19 . 1 1 62 62 MET H H 62 8.369 8.369 7.795 0.574 18869 6843 1 19 . 1 1 63 63 LYS N N 63 124.280 124.280 128.609 -4.329 18869 6844 1 19 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.641 0.004 18869 6845 1 19 . 1 1 63 63 LYS C C 63 173.722 173.722 174.604 -0.882 18869 6846 1 19 . 1 1 63 63 LYS CA C 63 54.242 54.242 54.345 -0.103 18869 6847 1 19 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.160 -0.520 18869 6848 1 19 . 1 1 63 63 LYS H H 63 8.390 8.390 8.605 -0.215 18869 6849 1 19 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.707 0.036 18869 6850 1 19 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.942 -0.386 18869 6851 1 19 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.010 -0.063 18869 6852 1 19 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.368 0.095 18869 6853 1 19 . 1 1 65 65 PRO C C 65 177.677 177.677 177.015 0.662 18869 6854 1 19 . 1 1 65 65 PRO CA C 65 63.478 63.478 62.919 0.559 18869 6855 1 19 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.843 0.246 18869 6856 1 19 . 1 1 66 66 GLY N N 66 109.177 109.177 107.348 1.829 18869 6857 1 19 . 1 1 66 66 GLY C C 66 173.968 173.968 174.286 -0.318 18869 6858 1 19 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.519 0.729 18869 6859 1 19 . 1 1 66 66 GLY H H 66 8.501 8.501 8.213 0.288 18869 6860 1 19 . 1 1 67 67 ALA N N 67 123.867 123.867 123.288 0.579 18869 6861 1 19 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.185 0.203 18869 6862 1 19 . 1 1 67 67 ALA C C 67 177.984 177.984 177.867 0.117 18869 6863 1 19 . 1 1 67 67 ALA CA C 67 52.558 52.558 51.968 0.590 18869 6864 1 19 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.280 0.112 18869 6865 1 19 . 1 1 67 67 ALA H H 67 8.224 8.224 8.100 0.124 18869 6866 1 19 . 1 1 68 68 GLN N N 68 119.754 119.754 123.509 -3.755 18869 6867 1 19 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.161 0.228 18869 6868 1 19 . 1 1 68 68 GLN C C 68 176.666 176.666 176.107 0.559 18869 6869 1 19 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.451 0.807 18869 6870 1 19 . 1 1 68 68 GLN CB C 68 29.511 29.511 28.460 1.050 18869 6871 1 19 . 1 1 68 68 GLN H H 68 8.540 8.540 8.754 -0.214 18869 6872 1 19 . 1 1 69 69 GLY N N 69 110.258 110.258 113.561 -3.303 18869 6873 1 19 . 1 1 69 69 GLY C C 69 174.333 174.333 173.589 0.744 18869 6874 1 19 . 1 1 69 69 GLY CA C 69 45.516 45.516 45.118 0.398 18869 6875 1 19 . 1 1 69 69 GLY H H 69 8.516 8.516 8.139 0.377 18869 6876 1 19 . 1 1 70 70 SER N N 70 116.141 116.141 116.179 -0.038 18869 6877 1 19 . 1 1 70 70 SER HA H 70 4.504 4.504 4.525 -0.021 18869 6878 1 19 . 1 1 70 70 SER C C 70 174.792 174.792 175.437 -0.645 18869 6879 1 19 . 1 1 70 70 SER CA C 70 58.792 58.792 58.426 0.366 18869 6880 1 19 . 1 1 70 70 SER CB C 70 64.011 64.011 63.701 0.310 18869 6881 1 19 . 1 1 70 70 SER H H 70 8.387 8.387 7.951 0.436 18869 6882 1 19 . 1 1 71 71 GLN N N 71 122.245 122.245 127.189 -4.944 18869 6883 1 19 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.455 -0.051 18869 6884 1 19 . 1 1 71 71 GLN C C 71 176.805 176.805 176.933 -0.128 18869 6885 1 19 . 1 1 71 71 GLN CA C 71 57.233 57.233 55.938 1.295 18869 6886 1 19 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.965 0.146 18869 6887 1 19 . 1 1 71 71 GLN H H 71 8.639 8.639 8.897 -0.258 18869 6888 1 19 . 1 1 72 72 SER N N 72 116.778 116.778 118.061 -1.283 18869 6889 1 19 . 1 1 72 72 SER HA H 72 4.536 4.536 4.100 0.436 18869 6890 1 19 . 1 1 72 72 SER C C 72 175.305 175.305 176.137 -0.832 18869 6891 1 19 . 1 1 72 72 SER CA C 72 59.356 59.356 61.802 -2.446 18869 6892 1 19 . 1 1 72 72 SER CB C 72 63.977 63.977 62.904 1.073 18869 6893 1 19 . 1 1 72 72 SER H H 72 8.516 8.516 7.901 0.615 18869 6894 1 19 . 1 1 73 73 THR N N 73 119.063 119.063 116.155 2.908 18869 6895 1 19 . 1 1 73 73 THR HA H 73 4.045 4.045 4.277 -0.232 18869 6896 1 19 . 1 1 73 73 THR C C 73 176.016 176.016 176.165 -0.149 18869 6897 1 19 . 1 1 73 73 THR CA C 73 65.705 65.705 65.556 0.149 18869 6898 1 19 . 1 1 73 73 THR CB C 73 68.743 68.743 68.931 -0.188 18869 6899 1 19 . 1 1 73 73 THR H H 73 8.305 8.305 8.551 -0.246 18869 6900 1 19 . 1 1 74 74 TYR N N 74 118.707 118.707 119.704 -0.997 18869 6901 1 19 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.535 -0.261 18869 6902 1 19 . 1 1 74 74 TYR C C 74 177.613 177.613 176.676 0.937 18869 6903 1 19 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.895 1.209 18869 6904 1 19 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.752 -0.635 18869 6905 1 19 . 1 1 74 74 TYR H H 74 7.905 7.905 7.717 0.188 18869 6906 1 19 . 1 1 75 75 THR N N 75 114.583 114.583 116.533 -1.950 18869 6907 1 19 . 1 1 75 75 THR HA H 75 3.992 3.992 3.869 0.123 18869 6908 1 19 . 1 1 75 75 THR C C 75 177.381 177.381 176.162 1.219 18869 6909 1 19 . 1 1 75 75 THR CA C 75 66.363 66.363 66.491 -0.128 18869 6910 1 19 . 1 1 75 75 THR CB C 75 68.324 68.324 68.048 0.276 18869 6911 1 19 . 1 1 75 75 THR H H 75 8.027 8.027 8.015 0.012 18869 6912 1 19 . 1 1 76 76 ASP N N 76 124.495 124.495 122.262 2.233 18869 6913 1 19 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.368 0.129 18869 6914 1 19 . 1 1 76 76 ASP C C 76 178.510 178.510 178.012 0.498 18869 6915 1 19 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.831 -0.544 18869 6916 1 19 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.632 -0.403 18869 6917 1 19 . 1 1 76 76 ASP H H 76 8.293 8.293 8.064 0.229 18869 6918 1 19 . 1 1 77 77 LEU N N 77 121.803 121.803 120.830 0.973 18869 6919 1 19 . 1 1 77 77 LEU HA H 77 4.003 4.003 4.007 -0.004 18869 6920 1 19 . 1 1 77 77 LEU C C 77 177.976 177.976 177.739 0.237 18869 6921 1 19 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.423 0.601 18869 6922 1 19 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.666 0.256 18869 6923 1 19 . 1 1 77 77 LEU H H 77 8.301 8.301 7.345 0.956 18869 6924 1 19 . 1 1 78 78 LEU N N 78 119.070 119.070 119.278 -0.208 18869 6925 1 19 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.789 0.248 18869 6926 1 19 . 1 1 78 78 LEU C C 78 179.095 179.095 178.505 0.590 18869 6927 1 19 . 1 1 78 78 LEU CA C 78 58.646 58.646 58.189 0.457 18869 6928 1 19 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.283 0.034 18869 6929 1 19 . 1 1 78 78 LEU H H 78 8.380 8.380 7.220 1.160 18869 6930 1 19 . 1 1 79 79 SER N N 79 114.297 114.297 113.854 0.443 18869 6931 1 19 . 1 1 79 79 SER HA H 79 4.337 4.337 4.141 0.196 18869 6932 1 19 . 1 1 79 79 SER C C 79 176.729 176.729 176.616 0.113 18869 6933 1 19 . 1 1 79 79 SER CA C 79 62.031 62.031 61.335 0.696 18869 6934 1 19 . 1 1 79 79 SER CB C 79 62.761 62.761 62.623 0.138 18869 6935 1 19 . 1 1 79 79 SER H H 79 7.976 7.976 7.806 0.170 18869 6936 1 19 . 1 1 80 80 VAL N N 80 122.776 122.776 121.608 1.168 18869 6937 1 19 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.691 0.170 18869 6938 1 19 . 1 1 80 80 VAL C C 80 178.463 178.463 177.832 0.631 18869 6939 1 19 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.609 -0.414 18869 6940 1 19 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.046 0.866 18869 6941 1 19 . 1 1 80 80 VAL H H 80 8.126 8.126 7.946 0.180 18869 6942 1 19 . 1 1 81 81 ILE N N 81 121.312 121.312 119.496 1.816 18869 6943 1 19 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.881 -0.086 18869 6944 1 19 . 1 1 81 81 ILE C C 81 177.475 177.475 178.983 -1.508 18869 6945 1 19 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.348 1.777 18869 6946 1 19 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.742 0.988 18869 6947 1 19 . 1 1 81 81 ILE H H 81 8.236 8.236 7.693 0.543 18869 6948 1 19 . 1 1 82 82 GLU N N 82 119.637 119.637 119.350 0.287 18869 6949 1 19 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.021 0.138 18869 6950 1 19 . 1 1 82 82 GLU C C 82 180.592 180.592 179.101 1.491 18869 6951 1 19 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.112 0.066 18869 6952 1 19 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.166 0.101 18869 6953 1 19 . 1 1 82 82 GLU H H 82 8.326 8.326 7.887 0.439 18869 6954 1 19 . 1 1 83 83 GLU N N 83 119.955 119.955 119.923 0.032 18869 6955 1 19 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.111 -0.052 18869 6956 1 19 . 1 1 83 83 GLU C C 83 179.428 179.428 179.350 0.078 18869 6957 1 19 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.582 1.008 18869 6958 1 19 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.439 -0.168 18869 6959 1 19 . 1 1 83 83 GLU H H 83 8.383 8.383 7.962 0.421 18869 6960 1 19 . 1 1 84 84 MET N N 84 118.367 118.367 118.369 -0.002 18869 6961 1 19 . 1 1 84 84 MET HA H 84 4.066 4.066 4.481 -0.415 18869 6962 1 19 . 1 1 84 84 MET C C 84 179.303 179.303 178.328 0.975 18869 6963 1 19 . 1 1 84 84 MET CA C 84 60.047 60.047 58.721 1.327 18869 6964 1 19 . 1 1 84 84 MET CB C 84 34.431 34.431 32.443 1.988 18869 6965 1 19 . 1 1 84 84 MET H H 84 8.335 8.335 8.553 -0.218 18869 6966 1 19 . 1 1 85 85 GLY N N 85 104.067 104.067 106.502 -2.435 18869 6967 1 19 . 1 1 85 85 GLY C C 85 176.612 176.612 175.232 1.380 18869 6968 1 19 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.476 1.067 18869 6969 1 19 . 1 1 85 85 GLY H H 85 8.219 8.219 8.102 0.117 18869 6970 1 19 . 1 1 86 86 LYS N N 86 119.651 119.651 119.194 0.457 18869 6971 1 19 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.398 -0.125 18869 6972 1 19 . 1 1 86 86 LYS C C 86 177.390 177.390 178.671 -1.281 18869 6973 1 19 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.234 0.247 18869 6974 1 19 . 1 1 86 86 LYS CB C 86 32.594 32.594 33.080 -0.486 18869 6975 1 19 . 1 1 86 86 LYS H H 86 7.585 7.585 7.601 -0.016 18869 6976 1 19 . 1 1 87 87 GLU N N 87 114.250 114.250 120.428 -6.178 18869 6977 1 19 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.201 0.984 18869 6978 1 19 . 1 1 87 87 GLU C C 87 179.381 179.381 178.264 1.117 18869 6979 1 19 . 1 1 87 87 GLU CA C 87 54.803 54.803 58.097 -3.294 18869 6980 1 19 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.341 0.291 18869 6981 1 19 . 1 1 87 87 GLU H H 87 7.710 7.710 7.756 -0.046 18869 6982 1 19 . 1 1 88 88 ILE N N 88 122.587 122.587 120.410 2.177 18869 6983 1 19 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.738 -0.262 18869 6984 1 19 . 1 1 88 88 ILE C C 88 175.990 175.990 177.412 -1.422 18869 6985 1 19 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.028 2.482 18869 6986 1 19 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.614 0.344 18869 6987 1 19 . 1 1 88 88 ILE H H 88 7.471 7.471 7.775 -0.304 18869 6988 1 19 . 1 1 89 89 ARG N N 89 118.954 118.954 120.799 -1.845 18869 6989 1 19 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.263 0.106 18869 6990 1 19 . 1 1 89 89 ARG C C 89 176.834 176.834 175.501 1.333 18869 6991 1 19 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.759 -0.370 18869 6992 1 19 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.480 -1.582 18869 6993 1 19 . 1 1 89 89 ARG H H 89 8.983 8.983 7.645 1.338 18869 6994 1 19 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.313 0.224 18869 6995 1 19 . 1 1 90 90 PRO C C 90 178.848 178.848 178.506 0.342 18869 6996 1 19 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.787 0.183 18869 6997 1 19 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.233 -0.971 18869 6998 1 19 . 1 1 91 91 THR N N 91 118.284 118.284 115.995 2.289 18869 6999 1 19 . 1 1 91 91 THR HA H 91 4.461 4.461 4.199 0.262 18869 7000 1 19 . 1 1 91 91 THR C C 91 176.982 176.982 177.249 -0.267 18869 7001 1 19 . 1 1 91 91 THR CA C 91 67.247 67.247 66.856 0.391 18869 7002 1 19 . 1 1 91 91 THR CB C 91 69.454 69.454 68.786 0.668 18869 7003 1 19 . 1 1 91 91 THR H H 91 7.734 7.734 7.568 0.166 18869 7004 1 19 . 1 1 92 92 TYR N N 92 123.739 123.739 123.174 0.565 18869 7005 1 19 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.259 0.585 18869 7006 1 19 . 1 1 92 92 TYR C C 92 177.320 177.320 176.230 1.090 18869 7007 1 19 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.253 -1.445 18869 7008 1 19 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.413 0.788 18869 7009 1 19 . 1 1 92 92 TYR H H 92 8.420 8.420 8.365 0.055 18869 7010 1 19 . 1 1 93 93 ALA N N 93 120.159 120.159 118.131 2.028 18869 7011 1 19 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.251 -0.080 18869 7012 1 19 . 1 1 93 93 ALA C C 93 177.685 177.685 177.758 -0.073 18869 7013 1 19 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.973 0.006 18869 7014 1 19 . 1 1 93 93 ALA CB C 93 18.511 18.511 18.832 -0.321 18869 7015 1 19 . 1 1 93 93 ALA H H 93 7.929 7.929 7.598 0.331 18869 7016 1 19 . 1 1 94 94 GLY N N 94 108.770 108.770 106.868 1.902 18869 7017 1 19 . 1 1 94 94 GLY C C 94 174.896 174.896 175.047 -0.151 18869 7018 1 19 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.083 0.799 18869 7019 1 19 . 1 1 94 94 GLY H H 94 8.311 8.311 7.604 0.707 18869 7020 1 19 . 1 1 95 95 SER N N 95 115.316 115.316 118.979 -3.663 18869 7021 1 19 . 1 1 95 95 SER HA H 95 4.774 4.774 4.472 0.302 18869 7022 1 19 . 1 1 95 95 SER C C 95 175.089 175.089 175.154 -0.065 18869 7023 1 19 . 1 1 95 95 SER CA C 95 57.083 57.083 58.334 -1.251 18869 7024 1 19 . 1 1 95 95 SER CB C 95 62.543 62.543 62.374 0.168 18869 7025 1 19 . 1 1 95 95 SER H H 95 8.363 8.363 8.002 0.361 18869 7026 1 19 . 1 1 96 96 LYS N N 96 134.180 134.180 127.480 6.700 18869 7027 1 19 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.913 0.071 18869 7028 1 19 . 1 1 96 96 LYS C C 96 178.195 178.195 178.228 -0.033 18869 7029 1 19 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.578 0.319 18869 7030 1 19 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.361 1.586 18869 7031 1 19 . 1 1 96 96 LYS H H 96 9.099 9.099 8.191 0.908 18869 7032 1 19 . 1 1 97 97 SER N N 97 113.650 113.650 115.247 -1.597 18869 7033 1 19 . 1 1 97 97 SER HA H 97 4.230 4.230 4.404 -0.174 18869 7034 1 19 . 1 1 97 97 SER C C 97 177.304 177.304 176.433 0.871 18869 7035 1 19 . 1 1 97 97 SER CA C 97 61.152 61.152 61.153 -0.001 18869 7036 1 19 . 1 1 97 97 SER CB C 97 62.101 62.101 62.499 -0.398 18869 7037 1 19 . 1 1 97 97 SER H H 97 8.383 8.383 8.528 -0.145 18869 7038 1 19 . 1 1 98 98 ALA N N 98 126.790 126.790 123.502 3.288 18869 7039 1 19 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.062 -0.035 18869 7040 1 19 . 1 1 98 98 ALA C C 98 178.317 178.317 179.236 -0.919 18869 7041 1 19 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.649 0.658 18869 7042 1 19 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.265 1.493 18869 7043 1 19 . 1 1 98 98 ALA H H 98 7.771 7.771 8.127 -0.356 18869 7044 1 19 . 1 1 99 99 MET N N 99 119.910 119.910 119.832 0.078 18869 7045 1 19 . 1 1 99 99 MET HA H 99 3.944 3.944 4.265 -0.321 18869 7046 1 19 . 1 1 99 99 MET C C 99 178.584 178.584 178.032 0.552 18869 7047 1 19 . 1 1 99 99 MET CA C 99 59.584 59.584 58.004 1.580 18869 7048 1 19 . 1 1 99 99 MET H H 99 7.856 7.856 7.873 -0.017 18869 7049 1 19 . 1 1 100 100 GLU N N 100 118.105 118.105 118.602 -0.497 18869 7050 1 19 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.968 0.015 18869 7051 1 19 . 1 1 100 100 GLU C C 100 180.292 180.292 178.762 1.530 18869 7052 1 19 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.270 0.164 18869 7053 1 19 . 1 1 100 100 GLU CB C 100 29.248 29.248 28.851 0.397 18869 7054 1 19 . 1 1 100 100 GLU H H 100 8.255 8.255 8.418 -0.163 18869 7055 1 19 . 1 1 101 101 ARG N N 101 120.780 120.780 120.823 -0.043 18869 7056 1 19 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.094 -0.061 18869 7057 1 19 . 1 1 101 101 ARG C C 101 180.619 180.619 178.547 2.072 18869 7058 1 19 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.217 2.580 18869 7059 1 19 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.747 1.058 18869 7060 1 19 . 1 1 101 101 ARG H H 101 7.973 7.973 7.562 0.411 18869 7061 1 19 . 1 1 102 102 LEU N N 102 125.866 125.866 120.256 5.610 18869 7062 1 19 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.125 0.018 18869 7063 1 19 . 1 1 102 102 LEU C C 102 178.209 178.209 178.466 -0.257 18869 7064 1 19 . 1 1 102 102 LEU CA C 102 59.192 59.192 58.056 1.136 18869 7065 1 19 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.890 -0.070 18869 7066 1 19 . 1 1 102 102 LEU H H 102 8.781 8.781 8.069 0.712 18869 7067 1 19 . 1 1 103 103 LYS N N 103 118.426 118.426 118.365 0.061 18869 7068 1 19 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.940 -0.092 18869 7069 1 19 . 1 1 103 103 LYS C C 103 179.666 179.666 178.984 0.682 18869 7070 1 19 . 1 1 103 103 LYS CA C 103 60.600 60.600 59.827 0.773 18869 7071 1 19 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.127 0.604 18869 7072 1 19 . 1 1 103 103 LYS H H 103 8.573 8.573 8.107 0.466 18869 7073 1 19 . 1 1 104 104 ARG N N 104 117.936 117.936 120.207 -2.271 18869 7074 1 19 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.070 -0.020 18869 7075 1 19 . 1 1 104 104 ARG C C 104 179.190 179.190 178.555 0.635 18869 7076 1 19 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.031 0.505 18869 7077 1 19 . 1 1 104 104 ARG CB C 104 30.050 30.050 29.991 0.059 18869 7078 1 19 . 1 1 104 104 ARG H H 104 8.154 8.154 8.096 0.058 18869 7079 1 19 . 1 1 105 105 GLY N N 105 110.339 110.339 108.381 1.958 18869 7080 1 19 . 1 1 105 105 GLY C C 105 174.974 174.974 176.094 -1.120 18869 7081 1 19 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.488 0.218 18869 7082 1 19 . 1 1 105 105 GLY H H 105 8.265 8.265 8.169 0.096 18869 7083 1 19 . 1 1 106 106 ILE N N 106 122.669 122.669 122.823 -0.154 18869 7084 1 19 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.823 -0.102 18869 7085 1 19 . 1 1 106 106 ILE C C 106 177.749 177.749 178.022 -0.273 18869 7086 1 19 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.471 -0.360 18869 7087 1 19 . 1 1 106 106 ILE CB C 106 36.286 36.286 37.981 -1.695 18869 7088 1 19 . 1 1 106 106 ILE H H 106 8.028 8.028 7.207 0.821 18869 7089 1 19 . 1 1 107 107 ILE N N 107 119.626 119.626 120.178 -0.552 18869 7090 1 19 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.529 0.123 18869 7091 1 19 . 1 1 107 107 ILE C C 107 179.292 179.292 177.895 1.397 18869 7092 1 19 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.971 -0.664 18869 7093 1 19 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.479 0.930 18869 7094 1 19 . 1 1 107 107 ILE H H 107 7.481 7.481 7.839 -0.358 18869 7095 1 19 . 1 1 108 108 HIS N N 108 120.644 120.644 119.495 1.149 18869 7096 1 19 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.235 0.467 18869 7097 1 19 . 1 1 108 108 HIS C C 108 177.121 177.121 177.176 -0.055 18869 7098 1 19 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.687 -2.123 18869 7099 1 19 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.749 -0.305 18869 7100 1 19 . 1 1 108 108 HIS H H 108 8.396 8.396 8.208 0.188 18869 7101 1 19 . 1 1 109 109 ALA N N 109 121.460 121.460 121.319 0.141 18869 7102 1 19 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.886 0.022 18869 7103 1 19 . 1 1 109 109 ALA C C 109 178.810 178.810 179.344 -0.534 18869 7104 1 19 . 1 1 109 109 ALA CA C 109 55.575 55.575 54.984 0.591 18869 7105 1 19 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.134 -0.535 18869 7106 1 19 . 1 1 109 109 ALA H H 109 9.416 9.416 8.430 0.986 18869 7107 1 19 . 1 1 110 110 ARG N N 110 116.845 116.845 119.425 -2.580 18869 7108 1 19 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.003 -0.270 18869 7109 1 19 . 1 1 110 110 ARG C C 110 177.800 177.800 178.144 -0.344 18869 7110 1 19 . 1 1 110 110 ARG CA C 110 60.431 60.431 59.325 1.105 18869 7111 1 19 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.237 0.653 18869 7112 1 19 . 1 1 110 110 ARG H H 110 8.579 8.579 8.302 0.277 18869 7113 1 19 . 1 1 111 111 ALA N N 111 120.689 120.689 121.521 -0.832 18869 7114 1 19 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.118 0.042 18869 7115 1 19 . 1 1 111 111 ALA C C 111 181.315 181.315 180.006 1.309 18869 7116 1 19 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.880 0.533 18869 7117 1 19 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.115 -0.049 18869 7118 1 19 . 1 1 111 111 ALA H H 111 7.808 7.808 7.565 0.243 18869 7119 1 19 . 1 1 112 112 LEU N N 112 119.511 119.511 118.627 0.884 18869 7120 1 19 . 1 1 112 112 LEU C C 112 179.788 179.788 179.150 0.638 18869 7121 1 19 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.676 0.321 18869 7122 1 19 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.890 0.983 18869 7123 1 19 . 1 1 112 112 LEU H H 112 8.308 8.308 7.330 0.978 18869 7124 1 19 . 1 1 113 113 VAL N N 113 119.879 119.879 118.393 1.486 18869 7125 1 19 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.650 -0.096 18869 7126 1 19 . 1 1 113 113 VAL C C 113 178.238 178.238 177.752 0.486 18869 7127 1 19 . 1 1 113 113 VAL CA C 113 67.641 67.641 67.072 0.569 18869 7128 1 19 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.493 -0.117 18869 7129 1 19 . 1 1 113 113 VAL H H 113 8.502 8.502 8.099 0.403 18869 7130 1 19 . 1 1 114 114 ARG N N 114 118.928 118.928 119.001 -0.073 18869 7131 1 19 . 1 1 114 114 ARG HA H 114 3.989 3.989 3.979 0.010 18869 7132 1 19 . 1 1 114 114 ARG C C 114 179.368 179.368 178.496 0.872 18869 7133 1 19 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.313 0.894 18869 7134 1 19 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.502 -0.930 18869 7135 1 19 . 1 1 114 114 ARG H H 114 8.335 8.335 8.133 0.202 18869 7136 1 19 . 1 1 115 115 GLU N N 115 120.444 120.444 118.928 1.516 18869 7137 1 19 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.140 0.068 18869 7138 1 19 . 1 1 115 115 GLU C C 115 178.931 178.931 178.497 0.434 18869 7139 1 19 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.452 0.831 18869 7140 1 19 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.453 -0.352 18869 7141 1 19 . 1 1 115 115 GLU H H 115 7.971 7.971 7.753 0.218 18869 7142 1 19 . 1 1 116 116 CYS N N 116 118.789 118.789 120.080 -1.291 18869 7143 1 19 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.428 -0.321 18869 7144 1 19 . 1 1 116 116 CYS C C 116 177.264 177.264 176.810 0.454 18869 7145 1 19 . 1 1 116 116 CYS CA C 116 62.959 62.959 59.572 3.387 18869 7146 1 19 . 1 1 116 116 CYS CB C 116 26.607 26.607 26.415 0.193 18869 7147 1 19 . 1 1 116 116 CYS H H 116 7.989 7.989 7.545 0.444 18869 7148 1 19 . 1 1 117 117 LEU N N 117 120.670 120.670 120.962 -0.292 18869 7149 1 19 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.804 0.144 18869 7150 1 19 . 1 1 117 117 LEU C C 117 178.291 178.291 178.292 -0.001 18869 7151 1 19 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.843 -0.574 18869 7152 1 19 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.080 1.153 18869 7153 1 19 . 1 1 117 117 LEU H H 117 8.028 8.028 8.051 -0.023 18869 7154 1 19 . 1 1 118 118 ALA N N 118 122.520 122.520 121.135 1.385 18869 7155 1 19 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.313 -0.109 18869 7156 1 19 . 1 1 118 118 ALA C C 118 179.805 179.805 179.716 0.089 18869 7157 1 19 . 1 1 118 118 ALA CA C 118 54.409 54.409 54.600 -0.191 18869 7158 1 19 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.450 -0.080 18869 7159 1 19 . 1 1 118 118 ALA H H 118 8.000 8.000 7.607 0.393 18869 7160 1 19 . 1 1 119 119 GLU N N 119 118.901 118.901 116.951 1.950 18869 7161 1 19 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.063 0.121 18869 7162 1 19 . 1 1 119 119 GLU C C 119 178.082 178.082 178.682 -0.600 18869 7163 1 19 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.669 -0.217 18869 7164 1 19 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.076 0.590 18869 7165 1 19 . 1 1 119 119 GLU H H 119 8.094 8.094 8.291 -0.198 18869 7166 1 19 . 1 1 120 120 THR N N 120 113.828 113.828 116.708 -2.880 18869 7167 1 19 . 1 1 120 120 THR HA H 120 4.251 4.251 3.982 0.269 18869 7168 1 19 . 1 1 120 120 THR C C 120 176.051 176.051 175.819 0.232 18869 7169 1 19 . 1 1 120 120 THR CA C 120 64.664 64.664 66.551 -1.887 18869 7170 1 19 . 1 1 120 120 THR CB C 120 69.543 69.543 68.453 1.090 18869 7171 1 19 . 1 1 120 120 THR H H 120 7.976 7.976 7.774 0.202 18869 7172 1 19 . 1 1 121 121 GLU N N 121 121.927 121.927 118.592 3.335 18869 7173 1 19 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.048 0.196 18869 7174 1 19 . 1 1 121 121 GLU C C 121 177.730 177.730 177.410 0.320 18869 7175 1 19 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.414 -0.490 18869 7176 1 19 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.423 0.479 18869 7177 1 19 . 1 1 121 121 GLU H H 121 8.073 8.073 7.653 0.420 18869 7178 1 19 . 1 1 122 122 ARG N N 122 120.226 120.226 118.720 1.506 18869 7179 1 19 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.210 0.044 18869 7180 1 19 . 1 1 122 122 ARG C C 122 177.289 177.289 176.577 0.712 18869 7181 1 19 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.248 0.462 18869 7182 1 19 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.750 0.072 18869 7183 1 19 . 1 1 122 122 ARG H H 122 8.081 8.081 7.523 0.558 18869 7184 1 19 . 1 1 123 123 ASN N N 123 118.062 118.062 119.066 -1.004 18869 7185 1 19 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.643 0.099 18869 7186 1 19 . 1 1 123 123 ASN C C 123 175.035 175.035 174.591 0.444 18869 7187 1 19 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.705 0.015 18869 7188 1 19 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.848 0.194 18869 7189 1 19 . 1 1 123 123 ASN H H 123 8.229 8.229 7.663 0.566 18869 7190 1 19 . 1 1 124 124 ALA N N 124 123.469 123.469 121.745 1.724 18869 7191 1 19 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.251 0.141 18869 7192 1 19 . 1 1 124 124 ALA C C 124 177.587 177.587 177.316 0.271 18869 7193 1 19 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.011 0.768 18869 7194 1 19 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.064 0.301 18869 7195 1 19 . 1 1 124 124 ALA H H 124 7.989 7.989 8.335 -0.346 18869 7196 1 19 . 1 1 125 125 ARG N N 125 120.186 120.186 121.318 -1.132 18869 7197 1 19 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.216 0.270 18869 7198 1 19 . 1 1 125 125 ARG C C 125 175.804 175.804 175.437 0.367 18869 7199 1 19 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.116 0.136 18869 7200 1 19 . 1 1 125 125 ARG CB C 125 30.858 30.858 29.110 1.748 18869 7201 1 19 . 1 1 125 125 ARG H H 125 8.200 8.200 7.992 0.208 18869 7202 1 20 . 1 1 59 59 HIS HA H 59 4.737 4.737 4.504 0.233 18869 7203 1 20 . 1 1 59 59 HIS C C 59 174.845 174.845 174.663 0.182 18869 7204 1 20 . 1 1 59 59 HIS CA C 59 56.432 56.432 56.069 0.363 18869 7205 1 20 . 1 1 59 59 HIS CB C 59 30.554 30.554 28.934 1.620 18869 7206 1 20 . 1 1 60 60 MET N N 60 121.666 121.666 124.206 -2.540 18869 7207 1 20 . 1 1 60 60 MET HA H 60 4.462 4.462 4.086 0.376 18869 7208 1 20 . 1 1 60 60 MET C C 60 175.495 175.495 174.205 1.290 18869 7209 1 20 . 1 1 60 60 MET CA C 60 55.475 55.475 55.571 -0.096 18869 7210 1 20 . 1 1 60 60 MET H H 60 8.324 8.324 8.118 0.206 18869 7211 1 20 . 1 1 61 61 ALA N N 61 125.934 125.934 128.138 -2.204 18869 7212 1 20 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.590 -0.243 18869 7213 1 20 . 1 1 61 61 ALA C C 61 177.394 177.394 177.108 0.286 18869 7214 1 20 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.179 0.392 18869 7215 1 20 . 1 1 61 61 ALA CB C 61 19.475 19.475 20.131 -0.656 18869 7216 1 20 . 1 1 61 61 ALA H H 61 8.438 8.438 8.258 0.180 18869 7217 1 20 . 1 1 62 62 MET N N 62 120.125 120.125 119.887 0.238 18869 7218 1 20 . 1 1 62 62 MET HA H 62 4.489 4.489 4.828 -0.339 18869 7219 1 20 . 1 1 62 62 MET C C 62 175.850 175.850 173.750 2.100 18869 7220 1 20 . 1 1 62 62 MET CA C 62 55.350 55.350 54.538 0.812 18869 7221 1 20 . 1 1 62 62 MET H H 62 8.369 8.369 8.355 0.014 18869 7222 1 20 . 1 1 63 63 LYS N N 63 124.280 124.280 120.465 3.815 18869 7223 1 20 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.900 -0.255 18869 7224 1 20 . 1 1 63 63 LYS C C 63 173.722 173.722 173.784 -0.062 18869 7225 1 20 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.267 -1.025 18869 7226 1 20 . 1 1 63 63 LYS CB C 63 32.640 32.640 33.053 -0.413 18869 7227 1 20 . 1 1 63 63 LYS H H 63 8.390 8.390 8.760 -0.370 18869 7228 1 20 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.739 0.004 18869 7229 1 20 . 1 1 64 64 PRO CA C 64 61.556 61.556 62.118 -0.562 18869 7230 1 20 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.543 -0.596 18869 7231 1 20 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.413 0.050 18869 7232 1 20 . 1 1 65 65 PRO C C 65 177.677 177.677 176.333 1.344 18869 7233 1 20 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.357 0.121 18869 7234 1 20 . 1 1 65 65 PRO CB C 65 32.089 32.089 32.146 -0.057 18869 7235 1 20 . 1 1 66 66 GLY N N 66 109.177 109.177 109.991 -0.814 18869 7236 1 20 . 1 1 66 66 GLY C C 66 173.968 173.968 173.775 0.193 18869 7237 1 20 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.604 0.644 18869 7238 1 20 . 1 1 66 66 GLY H H 66 8.501 8.501 7.896 0.605 18869 7239 1 20 . 1 1 67 67 ALA N N 67 123.867 123.867 125.290 -1.423 18869 7240 1 20 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.474 -0.086 18869 7241 1 20 . 1 1 67 67 ALA C C 67 177.984 177.984 178.746 -0.762 18869 7242 1 20 . 1 1 67 67 ALA CA C 67 52.558 52.558 53.723 -1.165 18869 7243 1 20 . 1 1 67 67 ALA CB C 67 19.392 19.392 18.923 0.469 18869 7244 1 20 . 1 1 67 67 ALA H H 67 8.224 8.224 8.690 -0.466 18869 7245 1 20 . 1 1 68 68 GLN N N 68 119.754 119.754 118.592 1.162 18869 7246 1 20 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.451 -0.062 18869 7247 1 20 . 1 1 68 68 GLN C C 68 176.666 176.666 176.232 0.434 18869 7248 1 20 . 1 1 68 68 GLN CA C 68 56.258 56.258 54.502 1.756 18869 7249 1 20 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.446 0.065 18869 7250 1 20 . 1 1 68 68 GLN H H 68 8.540 8.540 8.209 0.331 18869 7251 1 20 . 1 1 69 69 GLY N N 69 110.258 110.258 107.037 3.221 18869 7252 1 20 . 1 1 69 69 GLY C C 69 174.333 174.333 174.081 0.252 18869 7253 1 20 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.287 1.229 18869 7254 1 20 . 1 1 69 69 GLY H H 69 8.516 8.516 8.172 0.344 18869 7255 1 20 . 1 1 70 70 SER N N 70 116.141 116.141 114.730 1.411 18869 7256 1 20 . 1 1 70 70 SER HA H 70 4.504 4.504 4.319 0.185 18869 7257 1 20 . 1 1 70 70 SER C C 70 174.792 174.792 174.704 0.088 18869 7258 1 20 . 1 1 70 70 SER CA C 70 58.792 58.792 58.939 -0.147 18869 7259 1 20 . 1 1 70 70 SER CB C 70 64.011 64.011 63.818 0.193 18869 7260 1 20 . 1 1 70 70 SER H H 70 8.387 8.387 8.252 0.135 18869 7261 1 20 . 1 1 71 71 GLN N N 71 122.245 122.245 117.214 5.031 18869 7262 1 20 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.090 0.314 18869 7263 1 20 . 1 1 71 71 GLN C C 71 176.805 176.805 176.908 -0.103 18869 7264 1 20 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.398 0.835 18869 7265 1 20 . 1 1 71 71 GLN CB C 71 29.111 29.111 26.584 2.526 18869 7266 1 20 . 1 1 71 71 GLN H H 71 8.639 8.639 8.663 -0.024 18869 7267 1 20 . 1 1 72 72 SER N N 72 116.778 116.778 114.908 1.870 18869 7268 1 20 . 1 1 72 72 SER HA H 72 4.536 4.536 4.018 0.518 18869 7269 1 20 . 1 1 72 72 SER C C 72 175.305 175.305 176.135 -0.830 18869 7270 1 20 . 1 1 72 72 SER CA C 72 59.356 59.356 61.858 -2.502 18869 7271 1 20 . 1 1 72 72 SER CB C 72 63.977 63.977 63.024 0.953 18869 7272 1 20 . 1 1 72 72 SER H H 72 8.516 8.516 7.876 0.640 18869 7273 1 20 . 1 1 73 73 THR N N 73 119.063 119.063 117.624 1.439 18869 7274 1 20 . 1 1 73 73 THR HA H 73 4.045 4.045 4.039 0.006 18869 7275 1 20 . 1 1 73 73 THR C C 73 176.016 176.016 176.543 -0.527 18869 7276 1 20 . 1 1 73 73 THR CA C 73 65.705 65.705 65.996 -0.291 18869 7277 1 20 . 1 1 73 73 THR CB C 73 68.743 68.743 68.510 0.233 18869 7278 1 20 . 1 1 73 73 THR H H 73 8.305 8.305 8.416 -0.111 18869 7279 1 20 . 1 1 74 74 TYR N N 74 118.707 118.707 120.697 -1.990 18869 7280 1 20 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.446 -0.172 18869 7281 1 20 . 1 1 74 74 TYR C C 74 177.613 177.613 177.668 -0.055 18869 7282 1 20 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.968 1.136 18869 7283 1 20 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.611 -0.494 18869 7284 1 20 . 1 1 74 74 TYR H H 74 7.905 7.905 8.137 -0.232 18869 7285 1 20 . 1 1 75 75 THR N N 75 114.583 114.583 116.217 -1.634 18869 7286 1 20 . 1 1 75 75 THR HA H 75 3.992 3.992 3.872 0.120 18869 7287 1 20 . 1 1 75 75 THR C C 75 177.381 177.381 176.506 0.875 18869 7288 1 20 . 1 1 75 75 THR CA C 75 66.363 66.363 66.688 -0.325 18869 7289 1 20 . 1 1 75 75 THR CB C 75 68.324 68.324 68.341 -0.017 18869 7290 1 20 . 1 1 75 75 THR H H 75 8.027 8.027 7.892 0.135 18869 7291 1 20 . 1 1 76 76 ASP N N 76 124.495 124.495 122.070 2.425 18869 7292 1 20 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.376 0.121 18869 7293 1 20 . 1 1 76 76 ASP C C 76 178.510 178.510 178.186 0.324 18869 7294 1 20 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.280 0.007 18869 7295 1 20 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.135 0.094 18869 7296 1 20 . 1 1 76 76 ASP H H 76 8.293 8.293 8.511 -0.218 18869 7297 1 20 . 1 1 77 77 LEU N N 77 121.803 121.803 120.695 1.108 18869 7298 1 20 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.939 0.064 18869 7299 1 20 . 1 1 77 77 LEU C C 77 177.976 177.976 177.752 0.224 18869 7300 1 20 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.888 0.136 18869 7301 1 20 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.713 0.209 18869 7302 1 20 . 1 1 77 77 LEU H H 77 8.301 8.301 7.463 0.838 18869 7303 1 20 . 1 1 78 78 LEU N N 78 119.070 119.070 118.667 0.403 18869 7304 1 20 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.832 0.205 18869 7305 1 20 . 1 1 78 78 LEU C C 78 179.095 179.095 178.522 0.573 18869 7306 1 20 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.751 0.895 18869 7307 1 20 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.259 0.058 18869 7308 1 20 . 1 1 78 78 LEU H H 78 8.380 8.380 7.256 1.124 18869 7309 1 20 . 1 1 79 79 SER N N 79 114.297 114.297 115.149 -0.852 18869 7310 1 20 . 1 1 79 79 SER HA H 79 4.337 4.337 4.357 -0.020 18869 7311 1 20 . 1 1 79 79 SER C C 79 176.729 176.729 176.924 -0.195 18869 7312 1 20 . 1 1 79 79 SER CA C 79 62.031 62.031 62.042 -0.011 18869 7313 1 20 . 1 1 79 79 SER CB C 79 62.761 62.761 63.116 -0.355 18869 7314 1 20 . 1 1 79 79 SER H H 79 7.976 7.976 7.401 0.575 18869 7315 1 20 . 1 1 80 80 VAL N N 80 122.776 122.776 123.213 -0.437 18869 7316 1 20 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.674 0.187 18869 7317 1 20 . 1 1 80 80 VAL C C 80 178.463 178.463 178.186 0.277 18869 7318 1 20 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.358 -0.163 18869 7319 1 20 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.583 0.329 18869 7320 1 20 . 1 1 80 80 VAL H H 80 8.126 8.126 8.091 0.035 18869 7321 1 20 . 1 1 81 81 ILE N N 81 121.312 121.312 118.984 2.328 18869 7322 1 20 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.732 0.063 18869 7323 1 20 . 1 1 81 81 ILE C C 81 177.475 177.475 178.344 -0.869 18869 7324 1 20 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.828 1.297 18869 7325 1 20 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.449 1.281 18869 7326 1 20 . 1 1 81 81 ILE H H 81 8.236 8.236 8.038 0.198 18869 7327 1 20 . 1 1 82 82 GLU N N 82 119.637 119.637 119.414 0.223 18869 7328 1 20 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.016 0.143 18869 7329 1 20 . 1 1 82 82 GLU C C 82 180.592 180.592 179.049 1.543 18869 7330 1 20 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.238 -0.060 18869 7331 1 20 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.030 0.237 18869 7332 1 20 . 1 1 82 82 GLU H H 82 8.326 8.326 7.790 0.536 18869 7333 1 20 . 1 1 83 83 GLU N N 83 119.955 119.955 120.269 -0.314 18869 7334 1 20 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.090 -0.031 18869 7335 1 20 . 1 1 83 83 GLU C C 83 179.428 179.428 179.249 0.179 18869 7336 1 20 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.855 0.735 18869 7337 1 20 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.583 -0.312 18869 7338 1 20 . 1 1 83 83 GLU H H 83 8.383 8.383 8.081 0.302 18869 7339 1 20 . 1 1 84 84 MET N N 84 118.367 118.367 118.423 -0.056 18869 7340 1 20 . 1 1 84 84 MET HA H 84 4.066 4.066 4.181 -0.115 18869 7341 1 20 . 1 1 84 84 MET C C 84 179.303 179.303 178.764 0.539 18869 7342 1 20 . 1 1 84 84 MET CA C 84 60.047 60.047 59.150 0.897 18869 7343 1 20 . 1 1 84 84 MET CB C 84 34.431 34.431 32.749 1.682 18869 7344 1 20 . 1 1 84 84 MET H H 84 8.335 8.335 8.351 -0.016 18869 7345 1 20 . 1 1 85 85 GLY N N 85 104.067 104.067 105.937 -1.870 18869 7346 1 20 . 1 1 85 85 GLY C C 85 176.612 176.612 175.290 1.322 18869 7347 1 20 . 1 1 85 85 GLY CA C 85 47.543 47.543 47.044 0.499 18869 7348 1 20 . 1 1 85 85 GLY H H 85 8.219 8.219 8.081 0.138 18869 7349 1 20 . 1 1 86 86 LYS N N 86 119.651 119.651 119.156 0.495 18869 7350 1 20 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.233 0.040 18869 7351 1 20 . 1 1 86 86 LYS C C 86 177.390 177.390 178.722 -1.332 18869 7352 1 20 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.654 -0.173 18869 7353 1 20 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.474 0.120 18869 7354 1 20 . 1 1 86 86 LYS H H 86 7.585 7.585 7.641 -0.056 18869 7355 1 20 . 1 1 87 87 GLU N N 87 114.250 114.250 119.839 -5.589 18869 7356 1 20 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.277 0.908 18869 7357 1 20 . 1 1 87 87 GLU C C 87 179.381 179.381 178.077 1.304 18869 7358 1 20 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.122 -2.319 18869 7359 1 20 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.025 0.607 18869 7360 1 20 . 1 1 87 87 GLU H H 87 7.710 7.710 7.574 0.136 18869 7361 1 20 . 1 1 88 88 ILE N N 88 122.587 122.587 120.845 1.742 18869 7362 1 20 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.661 -0.185 18869 7363 1 20 . 1 1 88 88 ILE C C 88 175.990 175.990 177.668 -1.678 18869 7364 1 20 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.512 1.999 18869 7365 1 20 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.480 0.478 18869 7366 1 20 . 1 1 88 88 ILE H H 88 7.471 7.471 7.774 -0.303 18869 7367 1 20 . 1 1 89 89 ARG N N 89 118.954 118.954 119.503 -0.549 18869 7368 1 20 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.246 0.123 18869 7369 1 20 . 1 1 89 89 ARG C C 89 176.834 176.834 175.800 1.034 18869 7370 1 20 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.702 -0.313 18869 7371 1 20 . 1 1 89 89 ARG CB C 89 26.898 26.898 27.857 -0.959 18869 7372 1 20 . 1 1 89 89 ARG H H 89 8.983 8.983 7.633 1.350 18869 7373 1 20 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.327 0.210 18869 7374 1 20 . 1 1 90 90 PRO C C 90 178.848 178.848 178.641 0.207 18869 7375 1 20 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.823 0.147 18869 7376 1 20 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.151 -0.889 18869 7377 1 20 . 1 1 91 91 THR N N 91 118.284 118.284 116.261 2.023 18869 7378 1 20 . 1 1 91 91 THR HA H 91 4.461 4.461 4.256 0.205 18869 7379 1 20 . 1 1 91 91 THR C C 91 176.982 176.982 177.312 -0.330 18869 7380 1 20 . 1 1 91 91 THR CA C 91 67.247 67.247 67.299 -0.051 18869 7381 1 20 . 1 1 91 91 THR CB C 91 69.454 69.454 68.561 0.893 18869 7382 1 20 . 1 1 91 91 THR H H 91 7.734 7.734 7.726 0.008 18869 7383 1 20 . 1 1 92 92 TYR N N 92 123.739 123.739 123.438 0.301 18869 7384 1 20 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.257 0.587 18869 7385 1 20 . 1 1 92 92 TYR C C 92 177.320 177.320 176.216 1.104 18869 7386 1 20 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.187 -1.379 18869 7387 1 20 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.240 0.961 18869 7388 1 20 . 1 1 92 92 TYR H H 92 8.420 8.420 8.345 0.075 18869 7389 1 20 . 1 1 93 93 ALA N N 93 120.159 120.159 118.018 2.141 18869 7390 1 20 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.355 -0.184 18869 7391 1 20 . 1 1 93 93 ALA C C 93 177.685 177.685 177.421 0.264 18869 7392 1 20 . 1 1 93 93 ALA CA C 93 51.979 51.979 51.672 0.307 18869 7393 1 20 . 1 1 93 93 ALA CB C 93 18.511 18.511 18.839 -0.328 18869 7394 1 20 . 1 1 93 93 ALA H H 93 7.929 7.929 7.521 0.408 18869 7395 1 20 . 1 1 94 94 GLY N N 94 108.770 108.770 107.062 1.708 18869 7396 1 20 . 1 1 94 94 GLY C C 94 174.896 174.896 174.897 -0.001 18869 7397 1 20 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.103 0.779 18869 7398 1 20 . 1 1 94 94 GLY H H 94 8.311 8.311 7.692 0.619 18869 7399 1 20 . 1 1 95 95 SER N N 95 115.316 115.316 118.648 -3.332 18869 7400 1 20 . 1 1 95 95 SER HA H 95 4.774 4.774 4.601 0.173 18869 7401 1 20 . 1 1 95 95 SER C C 95 175.089 175.089 174.924 0.165 18869 7402 1 20 . 1 1 95 95 SER CA C 95 57.083 57.083 57.822 -0.739 18869 7403 1 20 . 1 1 95 95 SER CB C 95 62.543 62.543 62.818 -0.275 18869 7404 1 20 . 1 1 95 95 SER H H 95 8.363 8.363 8.154 0.209 18869 7405 1 20 . 1 1 96 96 LYS N N 96 134.180 134.180 127.374 6.806 18869 7406 1 20 . 1 1 96 96 LYS HA H 96 3.984 3.984 4.098 -0.114 18869 7407 1 20 . 1 1 96 96 LYS C C 96 178.195 178.195 178.171 0.024 18869 7408 1 20 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.080 0.817 18869 7409 1 20 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.940 1.007 18869 7410 1 20 . 1 1 96 96 LYS H H 96 9.099 9.099 8.574 0.525 18869 7411 1 20 . 1 1 97 97 SER N N 97 113.650 113.650 116.727 -3.077 18869 7412 1 20 . 1 1 97 97 SER HA H 97 4.230 4.230 4.149 0.081 18869 7413 1 20 . 1 1 97 97 SER C C 97 177.304 177.304 176.378 0.926 18869 7414 1 20 . 1 1 97 97 SER CA C 97 61.152 61.152 60.984 0.168 18869 7415 1 20 . 1 1 97 97 SER CB C 97 62.101 62.101 62.544 -0.443 18869 7416 1 20 . 1 1 97 97 SER H H 97 8.383 8.383 8.393 -0.010 18869 7417 1 20 . 1 1 98 98 ALA N N 98 126.790 126.790 123.601 3.189 18869 7418 1 20 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.091 -0.064 18869 7419 1 20 . 1 1 98 98 ALA C C 98 178.317 178.317 179.455 -1.138 18869 7420 1 20 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.815 0.492 18869 7421 1 20 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.349 1.409 18869 7422 1 20 . 1 1 98 98 ALA H H 98 7.771 7.771 7.832 -0.061 18869 7423 1 20 . 1 1 99 99 MET N N 99 119.910 119.910 119.291 0.619 18869 7424 1 20 . 1 1 99 99 MET HA H 99 3.944 3.944 4.186 -0.242 18869 7425 1 20 . 1 1 99 99 MET C C 99 178.584 178.584 178.069 0.515 18869 7426 1 20 . 1 1 99 99 MET CA C 99 59.584 59.584 58.000 1.584 18869 7427 1 20 . 1 1 99 99 MET H H 99 7.856 7.856 7.765 0.091 18869 7428 1 20 . 1 1 100 100 GLU N N 100 118.105 118.105 119.686 -1.581 18869 7429 1 20 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.999 -0.016 18869 7430 1 20 . 1 1 100 100 GLU C C 100 180.292 180.292 178.936 1.356 18869 7431 1 20 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.690 -0.256 18869 7432 1 20 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.480 -0.232 18869 7433 1 20 . 1 1 100 100 GLU H H 100 8.255 8.255 8.303 -0.048 18869 7434 1 20 . 1 1 101 101 ARG N N 101 120.780 120.780 119.017 1.763 18869 7435 1 20 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.110 -0.077 18869 7436 1 20 . 1 1 101 101 ARG C C 101 180.619 180.619 179.221 1.398 18869 7437 1 20 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.889 1.908 18869 7438 1 20 . 1 1 101 101 ARG CB C 101 30.805 30.805 30.215 0.590 18869 7439 1 20 . 1 1 101 101 ARG H H 101 7.973 7.973 7.735 0.238 18869 7440 1 20 . 1 1 102 102 LEU N N 102 125.866 125.866 122.110 3.756 18869 7441 1 20 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.179 -0.036 18869 7442 1 20 . 1 1 102 102 LEU C C 102 178.209 178.209 178.024 0.185 18869 7443 1 20 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.716 1.476 18869 7444 1 20 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.843 -0.023 18869 7445 1 20 . 1 1 102 102 LEU H H 102 8.781 8.781 8.176 0.605 18869 7446 1 20 . 1 1 103 103 LYS N N 103 118.426 118.426 118.955 -0.529 18869 7447 1 20 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.918 -0.070 18869 7448 1 20 . 1 1 103 103 LYS C C 103 179.666 179.666 179.007 0.659 18869 7449 1 20 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.277 0.323 18869 7450 1 20 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.193 0.538 18869 7451 1 20 . 1 1 103 103 LYS H H 103 8.573 8.573 8.255 0.318 18869 7452 1 20 . 1 1 104 104 ARG N N 104 117.936 117.936 119.887 -1.951 18869 7453 1 20 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.076 -0.026 18869 7454 1 20 . 1 1 104 104 ARG C C 104 179.190 179.190 178.513 0.677 18869 7455 1 20 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.162 0.374 18869 7456 1 20 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.021 0.029 18869 7457 1 20 . 1 1 104 104 ARG H H 104 8.154 8.154 8.138 0.016 18869 7458 1 20 . 1 1 105 105 GLY N N 105 110.339 110.339 108.342 1.997 18869 7459 1 20 . 1 1 105 105 GLY C C 105 174.974 174.974 176.305 -1.331 18869 7460 1 20 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.195 0.511 18869 7461 1 20 . 1 1 105 105 GLY H H 105 8.265 8.265 8.044 0.221 18869 7462 1 20 . 1 1 106 106 ILE N N 106 122.669 122.669 122.820 -0.151 18869 7463 1 20 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.864 -0.143 18869 7464 1 20 . 1 1 106 106 ILE C C 106 177.749 177.749 178.220 -0.471 18869 7465 1 20 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.872 -0.761 18869 7466 1 20 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.004 -1.718 18869 7467 1 20 . 1 1 106 106 ILE H H 106 8.028 8.028 7.681 0.347 18869 7468 1 20 . 1 1 107 107 ILE N N 107 119.626 119.626 120.287 -0.661 18869 7469 1 20 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.545 0.107 18869 7470 1 20 . 1 1 107 107 ILE C C 107 179.292 179.292 177.912 1.380 18869 7471 1 20 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.898 -0.591 18869 7472 1 20 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.590 0.819 18869 7473 1 20 . 1 1 107 107 ILE H H 107 7.481 7.481 7.850 -0.369 18869 7474 1 20 . 1 1 108 108 HIS N N 108 120.644 120.644 119.564 1.080 18869 7475 1 20 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.252 0.450 18869 7476 1 20 . 1 1 108 108 HIS C C 108 177.121 177.121 177.135 -0.014 18869 7477 1 20 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.602 -2.038 18869 7478 1 20 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.700 -0.255 18869 7479 1 20 . 1 1 108 108 HIS H H 108 8.396 8.396 8.457 -0.061 18869 7480 1 20 . 1 1 109 109 ALA N N 109 121.460 121.460 122.122 -0.662 18869 7481 1 20 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.834 0.074 18869 7482 1 20 . 1 1 109 109 ALA C C 109 178.810 178.810 178.936 -0.126 18869 7483 1 20 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.302 0.273 18869 7484 1 20 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.235 -0.636 18869 7485 1 20 . 1 1 109 109 ALA H H 109 9.416 9.416 8.483 0.933 18869 7486 1 20 . 1 1 110 110 ARG N N 110 116.845 116.845 119.509 -2.664 18869 7487 1 20 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.093 -0.360 18869 7488 1 20 . 1 1 110 110 ARG C C 110 177.800 177.800 178.320 -0.520 18869 7489 1 20 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.975 1.456 18869 7490 1 20 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.102 0.788 18869 7491 1 20 . 1 1 110 110 ARG H H 110 8.579 8.579 8.300 0.279 18869 7492 1 20 . 1 1 111 111 ALA N N 111 120.689 120.689 122.786 -2.097 18869 7493 1 20 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.121 0.039 18869 7494 1 20 . 1 1 111 111 ALA C C 111 181.315 181.315 179.534 1.781 18869 7495 1 20 . 1 1 111 111 ALA CA C 111 55.413 55.413 55.055 0.358 18869 7496 1 20 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.448 -0.382 18869 7497 1 20 . 1 1 111 111 ALA H H 111 7.808 7.808 7.661 0.147 18869 7498 1 20 . 1 1 112 112 LEU N N 112 119.511 119.511 119.225 0.286 18869 7499 1 20 . 1 1 112 112 LEU C C 112 179.788 179.788 179.744 0.044 18869 7500 1 20 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.610 0.387 18869 7501 1 20 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.904 0.969 18869 7502 1 20 . 1 1 112 112 LEU H H 112 8.308 8.308 7.761 0.547 18869 7503 1 20 . 1 1 113 113 VAL N N 113 119.879 119.879 117.854 2.025 18869 7504 1 20 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.589 -0.035 18869 7505 1 20 . 1 1 113 113 VAL C C 113 178.238 178.238 177.914 0.324 18869 7506 1 20 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.557 1.084 18869 7507 1 20 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.607 -0.231 18869 7508 1 20 . 1 1 113 113 VAL H H 113 8.502 8.502 8.223 0.279 18869 7509 1 20 . 1 1 114 114 ARG N N 114 118.928 118.928 119.562 -0.634 18869 7510 1 20 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.040 -0.051 18869 7511 1 20 . 1 1 114 114 ARG C C 114 179.368 179.368 178.450 0.918 18869 7512 1 20 . 1 1 114 114 ARG CA C 114 60.207 60.207 58.761 1.446 18869 7513 1 20 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.507 -0.935 18869 7514 1 20 . 1 1 114 114 ARG H H 114 8.335 8.335 7.549 0.786 18869 7515 1 20 . 1 1 115 115 GLU N N 115 120.444 120.444 118.717 1.727 18869 7516 1 20 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.140 0.068 18869 7517 1 20 . 1 1 115 115 GLU C C 115 178.931 178.931 179.043 -0.112 18869 7518 1 20 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.840 0.443 18869 7519 1 20 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.081 0.021 18869 7520 1 20 . 1 1 115 115 GLU H H 115 7.971 7.971 8.330 -0.359 18869 7521 1 20 . 1 1 116 116 CYS N N 116 118.789 118.789 117.351 1.438 18869 7522 1 20 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.212 -0.105 18869 7523 1 20 . 1 1 116 116 CYS C C 116 177.264 177.264 176.466 0.798 18869 7524 1 20 . 1 1 116 116 CYS CA C 116 62.959 62.959 62.300 0.659 18869 7525 1 20 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.704 -1.097 18869 7526 1 20 . 1 1 116 116 CYS H H 116 7.989 7.989 7.660 0.329 18869 7527 1 20 . 1 1 117 117 LEU N N 117 120.670 120.670 121.432 -0.762 18869 7528 1 20 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.819 0.129 18869 7529 1 20 . 1 1 117 117 LEU C C 117 178.291 178.291 178.487 -0.196 18869 7530 1 20 . 1 1 117 117 LEU CA C 117 57.269 57.269 58.066 -0.797 18869 7531 1 20 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.411 0.822 18869 7532 1 20 . 1 1 117 117 LEU H H 117 8.028 8.028 7.931 0.097 18869 7533 1 20 . 1 1 118 118 ALA N N 118 122.520 122.520 121.288 1.232 18869 7534 1 20 . 1 1 118 118 ALA HA H 118 4.204 4.204 3.977 0.227 18869 7535 1 20 . 1 1 118 118 ALA C C 118 179.805 179.805 178.218 1.587 18869 7536 1 20 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.294 -0.885 18869 7537 1 20 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.274 0.096 18869 7538 1 20 . 1 1 118 118 ALA H H 118 8.000 8.000 7.612 0.388 18869 7539 1 20 . 1 1 119 119 GLU N N 119 118.901 118.901 115.829 3.072 18869 7540 1 20 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.165 0.019 18869 7541 1 20 . 1 1 119 119 GLU C C 119 178.082 178.082 178.492 -0.410 18869 7542 1 20 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.286 0.166 18869 7543 1 20 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.594 0.072 18869 7544 1 20 . 1 1 119 119 GLU H H 119 8.094 8.094 7.844 0.250 18869 7545 1 20 . 1 1 120 120 THR N N 120 113.828 113.828 117.236 -3.408 18869 7546 1 20 . 1 1 120 120 THR HA H 120 4.251 4.251 3.980 0.271 18869 7547 1 20 . 1 1 120 120 THR C C 120 176.051 176.051 176.423 -0.372 18869 7548 1 20 . 1 1 120 120 THR CA C 120 64.664 64.664 66.474 -1.810 18869 7549 1 20 . 1 1 120 120 THR CB C 120 69.543 69.543 68.840 0.703 18869 7550 1 20 . 1 1 120 120 THR H H 120 7.976 7.976 7.892 0.084 18869 7551 1 20 . 1 1 121 121 GLU N N 121 121.927 121.927 120.261 1.666 18869 7552 1 20 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.146 0.098 18869 7553 1 20 . 1 1 121 121 GLU C C 121 177.730 177.730 178.409 -0.679 18869 7554 1 20 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.624 -0.701 18869 7555 1 20 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.141 0.761 18869 7556 1 20 . 1 1 121 121 GLU H H 121 8.073 8.073 8.097 -0.024 18869 7557 1 20 . 1 1 122 122 ARG N N 122 120.226 120.226 116.227 3.999 18869 7558 1 20 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.127 0.127 18869 7559 1 20 . 1 1 122 122 ARG C C 122 177.289 177.289 176.549 0.740 18869 7560 1 20 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.698 0.013 18869 7561 1 20 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.090 0.732 18869 7562 1 20 . 1 1 122 122 ARG H H 122 8.081 8.081 7.970 0.111 18869 7563 1 20 . 1 1 123 123 ASN N N 123 118.062 118.062 117.069 0.993 18869 7564 1 20 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.570 0.172 18869 7565 1 20 . 1 1 123 123 ASN C C 123 175.035 175.035 175.242 -0.207 18869 7566 1 20 . 1 1 123 123 ASN CA C 123 53.720 53.720 55.007 -1.287 18869 7567 1 20 . 1 1 123 123 ASN CB C 123 39.042 39.042 39.031 0.011 18869 7568 1 20 . 1 1 123 123 ASN H H 123 8.229 8.229 7.605 0.624 18869 7569 1 20 . 1 1 124 124 ALA N N 124 123.469 123.469 122.013 1.456 18869 7570 1 20 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.308 0.084 18869 7571 1 20 . 1 1 124 124 ALA C C 124 177.587 177.587 177.078 0.509 18869 7572 1 20 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.753 0.026 18869 7573 1 20 . 1 1 124 124 ALA CB C 124 19.365 19.365 17.927 1.438 18869 7574 1 20 . 1 1 124 124 ALA H H 124 7.989 7.989 7.391 0.598 18869 7575 1 20 . 1 1 125 125 ARG N N 125 120.186 120.186 121.711 -1.525 18869 7576 1 20 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.598 -0.112 18869 7577 1 20 . 1 1 125 125 ARG C C 125 175.804 175.804 175.671 0.133 18869 7578 1 20 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.014 0.237 18869 7579 1 20 . 1 1 125 125 ARG CB C 125 30.858 30.858 31.666 -0.808 18869 7580 1 20 . 1 1 125 125 ARG H H 125 8.200 8.200 8.192 0.008 18869 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 63 2.162 -0.282 2.161 18869 2 1 1 "Average Difference" HA 61 0.225 -0.030 0.225 18869 3 1 1 "Average Difference" C 66 0.861 -0.333 0.799 18869 4 1 1 "Average Difference" CA 67 0.909 -0.242 0.883 18869 5 1 1 "Average Difference" CB 59 0.713 -0.095 0.713 18869 6 1 1 "Average Difference" HN 63 0.459 -0.228 0.402 18869 7 1 2 "Average Difference" N 63 2.468 -0.121 2.485 18869 8 1 2 "Average Difference" HA 61 0.242 -0.053 0.238 18869 9 1 2 "Average Difference" C 66 0.900 -0.232 0.876 18869 10 1 2 "Average Difference" CA 67 1.065 -0.197 1.055 18869 11 1 2 "Average Difference" CB 59 0.819 -0.280 0.776 18869 12 1 2 "Average Difference" HN 63 0.449 -0.291 0.344 18869 13 1 3 "Average Difference" N 63 2.247 0.024 2.264 18869 14 1 3 "Average Difference" HA 61 0.230 -0.056 0.225 18869 15 1 3 "Average Difference" C 66 0.835 -0.227 0.810 18869 16 1 3 "Average Difference" CA 67 1.034 -0.175 1.027 18869 17 1 3 "Average Difference" CB 59 0.874 -0.151 0.869 18869 18 1 3 "Average Difference" HN 63 0.442 -0.203 0.396 18869 19 1 4 "Average Difference" N 63 2.197 -0.235 2.202 18869 20 1 4 "Average Difference" HA 61 0.237 -0.050 0.234 18869 21 1 4 "Average Difference" C 66 0.868 -0.203 0.850 18869 22 1 4 "Average Difference" CA 67 1.037 -0.097 1.041 18869 23 1 4 "Average Difference" CB 59 0.761 -0.162 0.750 18869 24 1 4 "Average Difference" HN 63 0.439 -0.250 0.364 18869 25 1 5 "Average Difference" N 63 2.210 -0.197 2.219 18869 26 1 5 "Average Difference" HA 61 0.227 -0.032 0.226 18869 27 1 5 "Average Difference" C 66 0.895 -0.334 0.837 18869 28 1 5 "Average Difference" CA 67 1.063 -0.313 1.023 18869 29 1 5 "Average Difference" CB 59 0.922 -0.228 0.901 18869 30 1 5 "Average Difference" HN 63 0.464 -0.282 0.372 18869 31 1 6 "Average Difference" N 63 2.386 -0.155 2.400 18869 32 1 6 "Average Difference" HA 61 0.241 -0.054 0.237 18869 33 1 6 "Average Difference" C 66 0.853 -0.285 0.810 18869 34 1 6 "Average Difference" CA 67 1.055 -0.181 1.047 18869 35 1 6 "Average Difference" CB 59 0.807 -0.277 0.764 18869 36 1 6 "Average Difference" HN 63 0.466 -0.245 0.400 18869 37 1 7 "Average Difference" N 63 2.477 -0.296 2.479 18869 38 1 7 "Average Difference" HA 61 0.246 -0.057 0.241 18869 39 1 7 "Average Difference" C 66 0.898 -0.192 0.884 18869 40 1 7 "Average Difference" CA 67 1.035 -0.153 1.032 18869 41 1 7 "Average Difference" CB 59 0.848 -0.169 0.839 18869 42 1 7 "Average Difference" HN 63 0.483 -0.261 0.410 18869 43 1 8 "Average Difference" N 63 2.327 0.047 2.345 18869 44 1 8 "Average Difference" HA 61 0.224 -0.047 0.221 18869 45 1 8 "Average Difference" C 66 0.858 -0.219 0.836 18869 46 1 8 "Average Difference" CA 67 0.975 -0.204 0.961 18869 47 1 8 "Average Difference" CB 59 0.757 -0.172 0.743 18869 48 1 8 "Average Difference" HN 63 0.458 -0.235 0.397 18869 49 1 9 "Average Difference" N 63 2.342 -0.023 2.361 18869 50 1 9 "Average Difference" HA 61 0.230 -0.077 0.218 18869 51 1 9 "Average Difference" C 66 0.812 -0.111 0.811 18869 52 1 9 "Average Difference" CA 67 1.066 -0.179 1.059 18869 53 1 9 "Average Difference" CB 59 0.839 -0.195 0.823 18869 54 1 9 "Average Difference" HN 63 0.439 -0.226 0.379 18869 55 1 10 "Average Difference" N 63 2.263 -0.198 2.273 18869 56 1 10 "Average Difference" HA 61 0.226 -0.051 0.222 18869 57 1 10 "Average Difference" C 66 0.809 -0.225 0.783 18869 58 1 10 "Average Difference" CA 67 0.958 -0.219 0.940 18869 59 1 10 "Average Difference" CB 59 0.783 -0.195 0.765 18869 60 1 10 "Average Difference" HN 63 0.448 -0.194 0.407 18869 61 1 11 "Average Difference" N 63 2.396 -0.087 2.414 18869 62 1 11 "Average Difference" HA 61 0.247 -0.061 0.241 18869 63 1 11 "Average Difference" C 66 0.786 -0.205 0.764 18869 64 1 11 "Average Difference" CA 67 1.029 -0.196 1.018 18869 65 1 11 "Average Difference" CB 59 0.794 -0.148 0.787 18869 66 1 11 "Average Difference" HN 63 0.404 -0.206 0.350 18869 67 1 12 "Average Difference" N 63 2.355 -0.110 2.372 18869 68 1 12 "Average Difference" HA 61 0.229 -0.062 0.222 18869 69 1 12 "Average Difference" C 66 0.841 -0.282 0.799 18869 70 1 12 "Average Difference" CA 67 1.104 -0.186 1.096 18869 71 1 12 "Average Difference" CB 59 0.857 -0.198 0.841 18869 72 1 12 "Average Difference" HN 63 0.452 -0.234 0.389 18869 73 1 13 "Average Difference" N 63 2.394 0.035 2.413 18869 74 1 13 "Average Difference" HA 61 0.218 -0.048 0.214 18869 75 1 13 "Average Difference" C 66 0.859 -0.347 0.792 18869 76 1 13 "Average Difference" CA 67 1.024 -0.303 0.985 18869 77 1 13 "Average Difference" CB 59 0.863 -0.249 0.834 18869 78 1 13 "Average Difference" HN 63 0.424 -0.215 0.369 18869 79 1 14 "Average Difference" N 63 2.071 -0.410 2.046 18869 80 1 14 "Average Difference" HA 61 0.239 -0.061 0.233 18869 81 1 14 "Average Difference" C 66 0.802 -0.253 0.767 18869 82 1 14 "Average Difference" CA 67 0.988 -0.215 0.972 18869 83 1 14 "Average Difference" CB 59 0.848 -0.237 0.821 18869 84 1 14 "Average Difference" HN 63 0.477 -0.270 0.396 18869 85 1 15 "Average Difference" N 63 2.325 -0.162 2.338 18869 86 1 15 "Average Difference" HA 61 0.225 -0.067 0.217 18869 87 1 15 "Average Difference" C 66 0.819 -0.248 0.786 18869 88 1 15 "Average Difference" CA 67 1.008 -0.281 0.975 18869 89 1 15 "Average Difference" CB 59 0.878 -0.243 0.851 18869 90 1 15 "Average Difference" HN 63 0.466 -0.260 0.390 18869 91 1 16 "Average Difference" N 63 2.464 -0.086 2.482 18869 92 1 16 "Average Difference" HA 61 0.248 -0.071 0.240 18869 93 1 16 "Average Difference" C 66 0.817 -0.236 0.788 18869 94 1 16 "Average Difference" CA 67 1.083 -0.280 1.054 18869 95 1 16 "Average Difference" CB 59 0.882 -0.229 0.859 18869 96 1 16 "Average Difference" HN 63 0.457 -0.241 0.391 18869 97 1 17 "Average Difference" N 63 2.431 0.082 2.449 18869 98 1 17 "Average Difference" HA 61 0.228 -0.069 0.220 18869 99 1 17 "Average Difference" C 66 0.798 -0.276 0.754 18869 100 1 17 "Average Difference" CA 67 1.095 -0.224 1.080 18869 101 1 17 "Average Difference" CB 59 0.889 -0.230 0.866 18869 102 1 17 "Average Difference" HN 63 0.464 -0.251 0.393 18869 103 1 18 "Average Difference" N 63 2.247 -0.419 2.225 18869 104 1 18 "Average Difference" HA 61 0.233 -0.080 0.221 18869 105 1 18 "Average Difference" C 66 0.836 -0.325 0.776 18869 106 1 18 "Average Difference" CA 67 0.966 -0.201 0.952 18869 107 1 18 "Average Difference" CB 59 0.924 -0.247 0.898 18869 108 1 18 "Average Difference" HN 63 0.489 -0.291 0.396 18869 109 1 19 "Average Difference" N 63 2.356 0.054 2.374 18869 110 1 19 "Average Difference" HA 61 0.234 -0.048 0.231 18869 111 1 19 "Average Difference" C 66 0.807 -0.264 0.769 18869 112 1 19 "Average Difference" CA 67 1.094 -0.290 1.063 18869 113 1 19 "Average Difference" CB 59 0.800 -0.279 0.757 18869 114 1 19 "Average Difference" HN 63 0.467 -0.253 0.395 18869 115 1 20 "Average Difference" N 63 2.252 -0.427 2.228 18869 116 1 20 "Average Difference" HA 61 0.225 -0.060 0.219 18869 117 1 20 "Average Difference" C 66 0.831 -0.269 0.792 18869 118 1 20 "Average Difference" CA 67 0.963 -0.131 0.962 18869 119 1 20 "Average Difference" CB 59 0.796 -0.198 0.778 18869 120 1 20 "Average Difference" HN 63 0.421 -0.226 0.358 18869 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 18869 _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 59 59 HIS HA H 59 4.737 4.737 4.763 -0.026 18869 2 1 . 1 1 59 59 HIS C C 59 174.845 174.845 174.482 0.363 18869 3 1 . 1 1 59 59 HIS CA C 59 56.432 56.432 55.871 0.561 18869 4 1 . 1 1 59 59 HIS CB C 59 30.554 30.554 30.196 0.358 18869 5 1 . 1 1 60 60 MET N N 60 121.666 121.666 124.026 -2.360 18869 6 1 . 1 1 60 60 MET HA H 60 4.462 4.462 4.509 -0.047 18869 7 1 . 1 1 60 60 MET C C 60 175.495 175.495 175.369 0.126 18869 8 1 . 1 1 60 60 MET CA C 60 55.475 55.475 54.966 0.509 18869 9 1 . 1 1 60 60 MET H H 60 8.324 8.324 8.319 0.005 18869 10 1 . 1 1 61 61 ALA N N 61 125.934 125.934 127.527 -1.593 18869 11 1 . 1 1 61 61 ALA HA H 61 4.347 4.347 4.524 -0.177 18869 12 1 . 1 1 61 61 ALA C C 61 177.394 177.394 176.792 0.602 18869 13 1 . 1 1 61 61 ALA CA C 61 52.572 52.572 52.014 0.558 18869 14 1 . 1 1 61 61 ALA CB C 61 19.475 19.475 19.211 0.265 18869 15 1 . 1 1 61 61 ALA H H 61 8.438 8.438 8.392 0.046 18869 16 1 . 1 1 62 62 MET N N 62 120.125 120.125 120.501 -0.376 18869 17 1 . 1 1 62 62 MET HA H 62 4.489 4.489 4.534 -0.045 18869 18 1 . 1 1 62 62 MET C C 62 175.850 175.850 175.531 0.319 18869 19 1 . 1 1 62 62 MET CA C 62 55.350 55.350 55.454 -0.104 18869 20 1 . 1 1 62 62 MET H H 62 8.369 8.369 8.164 0.205 18869 21 1 . 1 1 63 63 LYS N N 63 124.280 124.280 122.886 1.394 18869 22 1 . 1 1 63 63 LYS HA H 63 4.645 4.645 4.581 0.064 18869 23 1 . 1 1 63 63 LYS C C 63 173.722 173.722 174.155 -0.433 18869 24 1 . 1 1 63 63 LYS CA C 63 54.242 54.242 55.037 -0.795 18869 25 1 . 1 1 63 63 LYS CB C 63 32.640 32.640 32.321 0.319 18869 26 1 . 1 1 63 63 LYS H H 63 8.390 8.390 8.351 0.039 18869 27 1 . 1 1 64 64 PRO HA H 64 4.743 4.743 4.673 0.069 18869 28 1 . 1 1 64 64 PRO CA C 64 61.556 61.556 61.817 -0.261 18869 29 1 . 1 1 64 64 PRO CB C 64 30.947 30.947 31.616 -0.668 18869 30 1 . 1 1 65 65 PRO HA H 65 4.463 4.463 4.385 0.078 18869 31 1 . 1 1 65 65 PRO C C 65 177.677 177.677 177.138 0.539 18869 32 1 . 1 1 65 65 PRO CA C 65 63.478 63.478 63.096 0.382 18869 33 1 . 1 1 65 65 PRO CB C 65 32.089 32.089 31.824 0.265 18869 34 1 . 1 1 66 66 GLY N N 66 109.177 109.177 110.228 -1.051 18869 35 1 . 1 1 66 66 GLY C C 66 173.968 173.968 174.009 -0.041 18869 36 1 . 1 1 66 66 GLY CA C 66 45.248 45.248 44.765 0.483 18869 37 1 . 1 1 66 66 GLY H H 66 8.501 8.501 8.214 0.287 18869 38 1 . 1 1 67 67 ALA N N 67 123.867 123.867 124.019 -0.152 18869 39 1 . 1 1 67 67 ALA HA H 67 4.388 4.388 4.352 0.036 18869 40 1 . 1 1 67 67 ALA C C 67 177.984 177.984 177.414 0.570 18869 41 1 . 1 1 67 67 ALA CA C 67 52.558 52.558 52.380 0.178 18869 42 1 . 1 1 67 67 ALA CB C 67 19.392 19.392 19.012 0.380 18869 43 1 . 1 1 67 67 ALA H H 67 8.224 8.224 8.168 0.056 18869 44 1 . 1 1 68 68 GLN N N 68 119.754 119.754 121.668 -1.914 18869 45 1 . 1 1 68 68 GLN HA H 68 4.389 4.389 4.331 0.058 18869 46 1 . 1 1 68 68 GLN C C 68 176.666 176.666 176.219 0.447 18869 47 1 . 1 1 68 68 GLN CA C 68 56.258 56.258 55.749 0.509 18869 48 1 . 1 1 68 68 GLN CB C 68 29.511 29.511 29.195 0.316 18869 49 1 . 1 1 68 68 GLN H H 68 8.540 8.540 8.359 0.181 18869 50 1 . 1 1 69 69 GLY N N 69 110.258 110.258 111.103 -0.845 18869 51 1 . 1 1 69 69 GLY C C 69 174.333 174.333 174.388 -0.055 18869 52 1 . 1 1 69 69 GLY CA C 69 45.516 45.516 44.989 0.527 18869 53 1 . 1 1 69 69 GLY H H 69 8.516 8.516 8.356 0.160 18869 54 1 . 1 1 70 70 SER N N 70 116.141 116.141 116.650 -0.509 18869 55 1 . 1 1 70 70 SER HA H 70 4.504 4.504 4.402 0.102 18869 56 1 . 1 1 70 70 SER C C 70 174.792 174.792 175.475 -0.683 18869 57 1 . 1 1 70 70 SER CA C 70 58.792 58.792 59.221 -0.429 18869 58 1 . 1 1 70 70 SER CB C 70 64.011 64.011 63.584 0.428 18869 59 1 . 1 1 70 70 SER H H 70 8.387 8.387 8.206 0.181 18869 60 1 . 1 1 71 71 GLN N N 71 122.245 122.245 120.593 1.652 18869 61 1 . 1 1 71 71 GLN HA H 71 4.404 4.404 4.359 0.045 18869 62 1 . 1 1 71 71 GLN C C 71 176.805 176.805 176.762 0.043 18869 63 1 . 1 1 71 71 GLN CA C 71 57.233 57.233 56.458 0.775 18869 64 1 . 1 1 71 71 GLN CB C 71 29.111 29.111 28.244 0.867 18869 65 1 . 1 1 71 71 GLN H H 71 8.639 8.639 8.536 0.103 18869 66 1 . 1 1 72 72 SER N N 72 116.778 116.778 116.086 0.692 18869 67 1 . 1 1 72 72 SER HA H 72 4.536 4.536 4.208 0.328 18869 68 1 . 1 1 72 72 SER C C 72 175.305 175.305 176.181 -0.876 18869 69 1 . 1 1 72 72 SER CA C 72 59.356 59.356 61.481 -2.125 18869 70 1 . 1 1 72 72 SER CB C 72 63.977 63.977 62.840 1.137 18869 71 1 . 1 1 72 72 SER H H 72 8.516 8.516 8.222 0.294 18869 72 1 . 1 1 73 73 THR N N 73 119.063 119.063 116.763 2.300 18869 73 1 . 1 1 73 73 THR HA H 73 4.045 4.045 4.190 -0.145 18869 74 1 . 1 1 73 73 THR C C 73 176.016 176.016 176.293 -0.277 18869 75 1 . 1 1 73 73 THR CA C 73 65.705 65.705 65.305 0.400 18869 76 1 . 1 1 73 73 THR CB C 73 68.743 68.743 68.915 -0.173 18869 77 1 . 1 1 73 73 THR H H 73 8.305 8.305 8.183 0.122 18869 78 1 . 1 1 74 74 TYR N N 74 118.707 118.707 121.083 -2.376 18869 79 1 . 1 1 74 74 TYR HA H 74 4.274 4.274 4.458 -0.184 18869 80 1 . 1 1 74 74 TYR C C 74 177.613 177.613 177.210 0.403 18869 81 1 . 1 1 74 74 TYR CA C 74 61.104 61.104 59.966 1.138 18869 82 1 . 1 1 74 74 TYR CB C 74 38.117 38.117 38.458 -0.341 18869 83 1 . 1 1 74 74 TYR H H 74 7.905 7.905 8.044 -0.139 18869 84 1 . 1 1 75 75 THR N N 75 114.583 114.583 116.334 -1.751 18869 85 1 . 1 1 75 75 THR HA H 75 3.992 3.992 3.883 0.109 18869 86 1 . 1 1 75 75 THR C C 75 177.381 177.381 176.034 1.347 18869 87 1 . 1 1 75 75 THR CA C 75 66.363 66.363 66.753 -0.390 18869 88 1 . 1 1 75 75 THR CB C 75 68.324 68.324 68.199 0.125 18869 89 1 . 1 1 75 75 THR H H 75 8.027 8.027 8.005 0.022 18869 90 1 . 1 1 76 76 ASP N N 76 124.495 124.495 122.272 2.223 18869 91 1 . 1 1 76 76 ASP HA H 76 4.497 4.497 4.339 0.158 18869 92 1 . 1 1 76 76 ASP C C 76 178.510 178.510 177.966 0.544 18869 93 1 . 1 1 76 76 ASP CA C 76 57.287 57.287 57.546 -0.259 18869 94 1 . 1 1 76 76 ASP CB C 76 40.229 40.229 40.750 -0.521 18869 95 1 . 1 1 76 76 ASP H H 76 8.293 8.293 7.926 0.366 18869 96 1 . 1 1 77 77 LEU N N 77 121.803 121.803 120.641 1.162 18869 97 1 . 1 1 77 77 LEU HA H 77 4.003 4.003 3.910 0.093 18869 98 1 . 1 1 77 77 LEU C C 77 177.976 177.976 177.694 0.282 18869 99 1 . 1 1 77 77 LEU CA C 77 58.024 58.024 57.777 0.247 18869 100 1 . 1 1 77 77 LEU CB C 77 41.922 41.922 41.570 0.352 18869 101 1 . 1 1 77 77 LEU H H 77 8.301 8.301 7.346 0.955 18869 102 1 . 1 1 78 78 LEU N N 78 119.070 119.070 118.792 0.278 18869 103 1 . 1 1 78 78 LEU HA H 78 4.037 4.037 3.818 0.219 18869 104 1 . 1 1 78 78 LEU C C 78 179.095 179.095 178.520 0.575 18869 105 1 . 1 1 78 78 LEU CA C 78 58.646 58.646 57.979 0.667 18869 106 1 . 1 1 78 78 LEU CB C 78 41.317 41.317 41.311 0.006 18869 107 1 . 1 1 78 78 LEU H H 78 8.380 8.380 7.399 0.981 18869 108 1 . 1 1 79 79 SER N N 79 114.297 114.297 114.649 -0.352 18869 109 1 . 1 1 79 79 SER HA H 79 4.337 4.337 4.174 0.163 18869 110 1 . 1 1 79 79 SER C C 79 176.729 176.729 176.664 0.065 18869 111 1 . 1 1 79 79 SER CA C 79 62.031 62.031 61.771 0.260 18869 112 1 . 1 1 79 79 SER CB C 79 62.761 62.761 62.778 -0.017 18869 113 1 . 1 1 79 79 SER H H 79 7.976 7.976 7.617 0.359 18869 114 1 . 1 1 80 80 VAL N N 80 122.776 122.776 122.633 0.143 18869 115 1 . 1 1 80 80 VAL HA H 80 3.861 3.861 3.712 0.150 18869 116 1 . 1 1 80 80 VAL C C 80 178.463 178.463 177.884 0.579 18869 117 1 . 1 1 80 80 VAL CA C 80 66.195 66.195 66.327 -0.132 18869 118 1 . 1 1 80 80 VAL CB C 80 31.912 31.912 31.204 0.708 18869 119 1 . 1 1 80 80 VAL H H 80 8.126 8.126 7.912 0.214 18869 120 1 . 1 1 81 81 ILE N N 81 121.312 121.312 119.231 2.081 18869 121 1 . 1 1 81 81 ILE HA H 81 3.795 3.795 3.703 0.092 18869 122 1 . 1 1 81 81 ILE C C 81 177.475 177.475 178.379 -0.904 18869 123 1 . 1 1 81 81 ILE CA C 81 65.125 65.125 63.960 1.165 18869 124 1 . 1 1 81 81 ILE CB C 81 37.730 37.730 36.235 1.495 18869 125 1 . 1 1 81 81 ILE H H 81 8.236 8.236 7.956 0.280 18869 126 1 . 1 1 82 82 GLU N N 82 119.637 119.637 119.735 -0.098 18869 127 1 . 1 1 82 82 GLU HA H 82 4.159 4.159 4.003 0.156 18869 128 1 . 1 1 82 82 GLU C C 82 180.592 180.592 179.110 1.482 18869 129 1 . 1 1 82 82 GLU CA C 82 59.178 59.178 59.339 -0.161 18869 130 1 . 1 1 82 82 GLU CB C 82 29.267 29.267 29.316 -0.049 18869 131 1 . 1 1 82 82 GLU H H 82 8.326 8.326 7.786 0.540 18869 132 1 . 1 1 83 83 GLU N N 83 119.955 119.955 119.137 0.818 18869 133 1 . 1 1 83 83 GLU HA H 83 4.059 4.059 4.077 -0.018 18869 134 1 . 1 1 83 83 GLU C C 83 179.428 179.428 179.173 0.255 18869 135 1 . 1 1 83 83 GLU CA C 83 59.590 59.590 58.710 0.880 18869 136 1 . 1 1 83 83 GLU CB C 83 29.271 29.271 29.463 -0.192 18869 137 1 . 1 1 83 83 GLU H H 83 8.383 8.383 8.070 0.313 18869 138 1 . 1 1 84 84 MET N N 84 118.367 118.367 118.108 0.259 18869 139 1 . 1 1 84 84 MET HA H 84 4.066 4.066 4.227 -0.161 18869 140 1 . 1 1 84 84 MET C C 84 179.303 179.303 178.484 0.819 18869 141 1 . 1 1 84 84 MET CA C 84 60.047 60.047 59.020 1.027 18869 142 1 . 1 1 84 84 MET CB C 84 34.431 34.431 32.657 1.774 18869 143 1 . 1 1 84 84 MET H H 84 8.335 8.335 8.234 0.101 18869 144 1 . 1 1 85 85 GLY N N 85 104.067 104.067 105.484 -1.417 18869 145 1 . 1 1 85 85 GLY C C 85 176.612 176.612 175.135 1.477 18869 146 1 . 1 1 85 85 GLY CA C 85 47.543 47.543 46.764 0.779 18869 147 1 . 1 1 85 85 GLY H H 85 8.219 8.219 8.014 0.205 18869 148 1 . 1 1 86 86 LYS N N 86 119.651 119.651 119.195 0.456 18869 149 1 . 1 1 86 86 LYS HA H 86 4.273 4.273 4.275 -0.002 18869 150 1 . 1 1 86 86 LYS C C 86 177.390 177.390 178.483 -1.093 18869 151 1 . 1 1 86 86 LYS CA C 86 58.481 58.481 58.607 -0.126 18869 152 1 . 1 1 86 86 LYS CB C 86 32.594 32.594 32.577 0.017 18869 153 1 . 1 1 86 86 LYS H H 86 7.585 7.585 7.466 0.119 18869 154 1 . 1 1 87 87 GLU N N 87 114.250 114.250 119.606 -5.356 18869 155 1 . 1 1 87 87 GLU HA H 87 5.185 5.185 4.226 0.959 18869 156 1 . 1 1 87 87 GLU C C 87 179.381 179.381 178.398 0.983 18869 157 1 . 1 1 87 87 GLU CA C 87 54.803 54.803 57.611 -2.808 18869 158 1 . 1 1 87 87 GLU CB C 87 29.632 29.632 29.117 0.515 18869 159 1 . 1 1 87 87 GLU H H 87 7.710 7.710 7.649 0.061 18869 160 1 . 1 1 88 88 ILE N N 88 122.587 122.587 120.595 1.992 18869 161 1 . 1 1 88 88 ILE HA H 88 3.476 3.476 3.699 -0.223 18869 162 1 . 1 1 88 88 ILE C C 88 175.990 175.990 177.588 -1.598 18869 163 1 . 1 1 88 88 ILE CA C 88 67.511 67.511 65.209 2.302 18869 164 1 . 1 1 88 88 ILE CB C 88 37.958 37.958 37.505 0.453 18869 165 1 . 1 1 88 88 ILE H H 88 7.471 7.471 7.663 -0.192 18869 166 1 . 1 1 89 89 ARG N N 89 118.954 118.954 120.258 -1.304 18869 167 1 . 1 1 89 89 ARG HA H 89 4.369 4.369 4.266 0.103 18869 168 1 . 1 1 89 89 ARG C C 89 176.834 176.834 175.607 1.227 18869 169 1 . 1 1 89 89 ARG CA C 89 61.389 61.389 61.296 0.093 18869 170 1 . 1 1 89 89 ARG CB C 89 26.898 26.898 28.217 -1.319 18869 171 1 . 1 1 89 89 ARG H H 89 8.983 8.983 7.786 1.197 18869 172 1 . 1 1 90 90 PRO HA H 90 4.537 4.537 4.341 0.196 18869 173 1 . 1 1 90 90 PRO C C 90 178.848 178.848 178.503 0.345 18869 174 1 . 1 1 90 90 PRO CA C 90 65.970 65.970 65.664 0.306 18869 175 1 . 1 1 90 90 PRO CB C 90 30.262 30.262 31.242 -0.980 18869 176 1 . 1 1 91 91 THR N N 91 118.284 118.284 116.266 2.018 18869 177 1 . 1 1 91 91 THR HA H 91 4.461 4.461 4.223 0.238 18869 178 1 . 1 1 91 91 THR C C 91 176.982 176.982 177.173 -0.191 18869 179 1 . 1 1 91 91 THR CA C 91 67.247 67.247 67.242 0.005 18869 180 1 . 1 1 91 91 THR CB C 91 69.454 69.454 68.664 0.790 18869 181 1 . 1 1 91 91 THR H H 91 7.734 7.734 7.840 -0.106 18869 182 1 . 1 1 92 92 TYR N N 92 123.739 123.739 123.035 0.704 18869 183 1 . 1 1 92 92 TYR HA H 92 4.844 4.844 4.241 0.603 18869 184 1 . 1 1 92 92 TYR C C 92 177.320 177.320 176.047 1.273 18869 185 1 . 1 1 92 92 TYR CA C 92 58.808 58.808 60.438 -1.630 18869 186 1 . 1 1 92 92 TYR CB C 92 39.201 39.201 38.359 0.842 18869 187 1 . 1 1 92 92 TYR H H 92 8.420 8.420 8.237 0.183 18869 188 1 . 1 1 93 93 ALA N N 93 120.159 120.159 118.166 1.993 18869 189 1 . 1 1 93 93 ALA HA H 93 4.171 4.171 4.291 -0.120 18869 190 1 . 1 1 93 93 ALA C C 93 177.685 177.685 177.728 -0.043 18869 191 1 . 1 1 93 93 ALA CA C 93 51.979 51.979 52.026 -0.047 18869 192 1 . 1 1 93 93 ALA CB C 93 18.511 18.511 19.061 -0.550 18869 193 1 . 1 1 93 93 ALA H H 93 7.929 7.929 7.564 0.365 18869 194 1 . 1 1 94 94 GLY N N 94 108.770 108.770 106.661 2.109 18869 195 1 . 1 1 94 94 GLY C C 94 174.896 174.896 174.920 -0.024 18869 196 1 . 1 1 94 94 GLY CA C 94 45.882 45.882 45.007 0.875 18869 197 1 . 1 1 94 94 GLY H H 94 8.311 8.311 7.707 0.604 18869 198 1 . 1 1 95 95 SER N N 95 115.316 115.316 119.308 -3.992 18869 199 1 . 1 1 95 95 SER HA H 95 4.774 4.774 4.509 0.265 18869 200 1 . 1 1 95 95 SER C C 95 175.089 175.089 175.070 0.019 18869 201 1 . 1 1 95 95 SER CA C 95 57.083 57.083 57.934 -0.851 18869 202 1 . 1 1 95 95 SER CB C 95 62.543 62.543 62.551 -0.009 18869 203 1 . 1 1 95 95 SER H H 95 8.363 8.363 8.005 0.358 18869 204 1 . 1 1 96 96 LYS N N 96 134.180 134.180 127.353 6.827 18869 205 1 . 1 1 96 96 LYS HA H 96 3.984 3.984 3.972 0.012 18869 206 1 . 1 1 96 96 LYS C C 96 178.195 178.195 178.187 0.008 18869 207 1 . 1 1 96 96 LYS CA C 96 59.897 59.897 59.473 0.424 18869 208 1 . 1 1 96 96 LYS CB C 96 32.947 32.947 31.846 1.101 18869 209 1 . 1 1 96 96 LYS H H 96 9.099 9.099 8.181 0.918 18869 210 1 . 1 1 97 97 SER N N 97 113.650 113.650 115.860 -2.210 18869 211 1 . 1 1 97 97 SER HA H 97 4.230 4.230 4.234 -0.004 18869 212 1 . 1 1 97 97 SER C C 97 177.304 177.304 176.272 1.032 18869 213 1 . 1 1 97 97 SER CA C 97 61.152 61.152 61.110 0.042 18869 214 1 . 1 1 97 97 SER CB C 97 62.101 62.101 62.527 -0.426 18869 215 1 . 1 1 97 97 SER H H 97 8.383 8.383 8.422 -0.039 18869 216 1 . 1 1 98 98 ALA N N 98 126.790 126.790 124.156 2.634 18869 217 1 . 1 1 98 98 ALA HA H 98 4.027 4.027 4.185 -0.158 18869 218 1 . 1 1 98 98 ALA C C 98 178.317 178.317 179.518 -1.201 18869 219 1 . 1 1 98 98 ALA CA C 98 55.307 55.307 54.606 0.701 18869 220 1 . 1 1 98 98 ALA CB C 98 19.758 19.758 18.410 1.347 18869 221 1 . 1 1 98 98 ALA H H 98 7.771 7.771 7.965 -0.194 18869 222 1 . 1 1 99 99 MET N N 99 119.910 119.910 119.634 0.276 18869 223 1 . 1 1 99 99 MET HA H 99 3.944 3.944 4.192 -0.248 18869 224 1 . 1 1 99 99 MET C C 99 178.584 178.584 178.086 0.498 18869 225 1 . 1 1 99 99 MET CA C 99 59.584 59.584 58.278 1.306 18869 226 1 . 1 1 99 99 MET H H 99 7.856 7.856 7.929 -0.073 18869 227 1 . 1 1 100 100 GLU N N 100 118.105 118.105 119.446 -1.341 18869 228 1 . 1 1 100 100 GLU HA H 100 3.983 3.983 3.995 -0.012 18869 229 1 . 1 1 100 100 GLU C C 100 180.292 180.292 178.914 1.378 18869 230 1 . 1 1 100 100 GLU CA C 100 59.434 59.434 59.595 -0.161 18869 231 1 . 1 1 100 100 GLU CB C 100 29.248 29.248 29.305 -0.057 18869 232 1 . 1 1 100 100 GLU H H 100 8.255 8.255 8.218 0.037 18869 233 1 . 1 1 101 101 ARG N N 101 120.780 120.780 119.394 1.386 18869 234 1 . 1 1 101 101 ARG HA H 101 4.033 4.033 4.152 -0.119 18869 235 1 . 1 1 101 101 ARG C C 101 180.619 180.619 178.948 1.671 18869 236 1 . 1 1 101 101 ARG CA C 101 60.797 60.797 58.397 2.400 18869 237 1 . 1 1 101 101 ARG CB C 101 30.805 30.805 29.990 0.815 18869 238 1 . 1 1 101 101 ARG H H 101 7.973 7.973 7.675 0.298 18869 239 1 . 1 1 102 102 LEU N N 102 125.866 125.866 121.704 4.162 18869 240 1 . 1 1 102 102 LEU HA H 102 4.143 4.143 4.139 0.004 18869 241 1 . 1 1 102 102 LEU C C 102 178.209 178.209 178.187 0.022 18869 242 1 . 1 1 102 102 LEU CA C 102 59.192 59.192 57.813 1.379 18869 243 1 . 1 1 102 102 LEU CB C 102 41.820 41.820 41.812 0.008 18869 244 1 . 1 1 102 102 LEU H H 102 8.781 8.781 8.148 0.633 18869 245 1 . 1 1 103 103 LYS N N 103 118.426 118.426 118.655 -0.229 18869 246 1 . 1 1 103 103 LYS HA H 103 3.848 3.848 3.912 -0.064 18869 247 1 . 1 1 103 103 LYS C C 103 179.666 179.666 179.018 0.648 18869 248 1 . 1 1 103 103 LYS CA C 103 60.600 60.600 60.082 0.518 18869 249 1 . 1 1 103 103 LYS CB C 103 32.731 32.731 32.108 0.623 18869 250 1 . 1 1 103 103 LYS H H 103 8.573 8.573 8.147 0.426 18869 251 1 . 1 1 104 104 ARG N N 104 117.936 117.936 119.761 -1.825 18869 252 1 . 1 1 104 104 ARG HA H 104 4.050 4.050 4.073 -0.023 18869 253 1 . 1 1 104 104 ARG C C 104 179.190 179.190 178.594 0.595 18869 254 1 . 1 1 104 104 ARG CA C 104 59.536 59.536 59.101 0.435 18869 255 1 . 1 1 104 104 ARG CB C 104 30.050 30.050 30.029 0.021 18869 256 1 . 1 1 104 104 ARG H H 104 8.154 8.154 8.065 0.089 18869 257 1 . 1 1 105 105 GLY N N 105 110.339 110.339 108.016 2.323 18869 258 1 . 1 1 105 105 GLY C C 105 174.974 174.974 176.172 -1.198 18869 259 1 . 1 1 105 105 GLY CA C 105 47.706 47.706 47.144 0.562 18869 260 1 . 1 1 105 105 GLY H H 105 8.265 8.265 8.054 0.211 18869 261 1 . 1 1 106 106 ILE N N 106 122.669 122.669 123.031 -0.362 18869 262 1 . 1 1 106 106 ILE HA H 106 3.721 3.721 3.863 -0.142 18869 263 1 . 1 1 106 106 ILE C C 106 177.749 177.749 178.185 -0.436 18869 264 1 . 1 1 106 106 ILE CA C 106 63.111 63.111 63.750 -0.639 18869 265 1 . 1 1 106 106 ILE CB C 106 36.286 36.286 38.047 -1.761 18869 266 1 . 1 1 106 106 ILE H H 106 8.028 8.028 7.572 0.456 18869 267 1 . 1 1 107 107 ILE N N 107 119.626 119.626 119.911 -0.285 18869 268 1 . 1 1 107 107 ILE HA H 107 3.652 3.652 3.567 0.085 18869 269 1 . 1 1 107 107 ILE C C 107 179.292 179.292 177.942 1.350 18869 270 1 . 1 1 107 107 ILE CA C 107 65.307 65.307 65.542 -0.235 18869 271 1 . 1 1 107 107 ILE CB C 107 38.409 38.409 37.515 0.894 18869 272 1 . 1 1 107 107 ILE H H 107 7.481 7.481 7.823 -0.342 18869 273 1 . 1 1 108 108 HIS N N 108 120.644 120.644 119.455 1.189 18869 274 1 . 1 1 108 108 HIS HA H 108 4.702 4.702 4.206 0.496 18869 275 1 . 1 1 108 108 HIS C C 108 177.121 177.121 177.130 -0.009 18869 276 1 . 1 1 108 108 HIS CA C 108 57.564 57.564 59.389 -1.825 18869 277 1 . 1 1 108 108 HIS CB C 108 30.444 30.444 30.672 -0.228 18869 278 1 . 1 1 108 108 HIS H H 108 8.396 8.396 8.163 0.233 18869 279 1 . 1 1 109 109 ALA N N 109 121.460 121.460 121.661 -0.201 18869 280 1 . 1 1 109 109 ALA HA H 109 3.908 3.908 3.840 0.068 18869 281 1 . 1 1 109 109 ALA C C 109 178.810 178.810 179.188 -0.378 18869 282 1 . 1 1 109 109 ALA CA C 109 55.575 55.575 55.218 0.357 18869 283 1 . 1 1 109 109 ALA CB C 109 17.599 17.599 18.269 -0.670 18869 284 1 . 1 1 109 109 ALA H H 109 9.416 9.416 8.367 1.049 18869 285 1 . 1 1 110 110 ARG N N 110 116.845 116.845 119.198 -2.353 18869 286 1 . 1 1 110 110 ARG HA H 110 3.733 3.733 4.059 -0.326 18869 287 1 . 1 1 110 110 ARG C C 110 177.800 177.800 178.236 -0.436 18869 288 1 . 1 1 110 110 ARG CA C 110 60.431 60.431 58.937 1.494 18869 289 1 . 1 1 110 110 ARG CB C 110 30.890 30.890 30.089 0.801 18869 290 1 . 1 1 110 110 ARG H H 110 8.579 8.579 8.330 0.249 18869 291 1 . 1 1 111 111 ALA N N 111 120.689 120.689 122.293 -1.604 18869 292 1 . 1 1 111 111 ALA HA H 111 4.160 4.160 4.140 0.020 18869 293 1 . 1 1 111 111 ALA C C 111 181.315 181.315 179.733 1.582 18869 294 1 . 1 1 111 111 ALA CA C 111 55.413 55.413 54.928 0.485 18869 295 1 . 1 1 111 111 ALA CB C 111 18.066 18.066 18.255 -0.189 18869 296 1 . 1 1 111 111 ALA H H 111 7.808 7.808 7.616 0.192 18869 297 1 . 1 1 112 112 LEU N N 112 119.511 119.511 118.934 0.578 18869 298 1 . 1 1 112 112 LEU C C 112 179.788 179.788 179.314 0.474 18869 299 1 . 1 1 112 112 LEU CA C 112 57.997 57.997 57.624 0.373 18869 300 1 . 1 1 112 112 LEU CB C 112 42.873 42.873 41.803 1.070 18869 301 1 . 1 1 112 112 LEU H H 112 8.308 8.308 7.677 0.631 18869 302 1 . 1 1 113 113 VAL N N 113 119.879 119.879 118.186 1.693 18869 303 1 . 1 1 113 113 VAL HA H 113 3.554 3.554 3.638 -0.084 18869 304 1 . 1 1 113 113 VAL C C 113 178.238 178.238 177.899 0.339 18869 305 1 . 1 1 113 113 VAL CA C 113 67.641 67.641 66.589 1.052 18869 306 1 . 1 1 113 113 VAL CB C 113 31.376 31.376 31.361 0.015 18869 307 1 . 1 1 113 113 VAL H H 113 8.502 8.502 7.991 0.511 18869 308 1 . 1 1 114 114 ARG N N 114 118.928 118.928 119.624 -0.696 18869 309 1 . 1 1 114 114 ARG HA H 114 3.989 3.989 4.011 -0.022 18869 310 1 . 1 1 114 114 ARG C C 114 179.368 179.368 178.442 0.926 18869 311 1 . 1 1 114 114 ARG CA C 114 60.207 60.207 59.236 0.972 18869 312 1 . 1 1 114 114 ARG CB C 114 28.572 28.572 29.724 -1.152 18869 313 1 . 1 1 114 114 ARG H H 114 8.335 8.335 7.950 0.385 18869 314 1 . 1 1 115 115 GLU N N 115 120.444 120.444 118.534 1.910 18869 315 1 . 1 1 115 115 GLU HA H 115 4.208 4.208 4.170 0.038 18869 316 1 . 1 1 115 115 GLU C C 115 178.931 178.931 178.840 0.091 18869 317 1 . 1 1 115 115 GLU CA C 115 59.283 59.283 58.765 0.518 18869 318 1 . 1 1 115 115 GLU CB C 115 29.101 29.101 29.381 -0.280 18869 319 1 . 1 1 115 115 GLU H H 115 7.971 7.971 8.100 -0.129 18869 320 1 . 1 1 116 116 CYS N N 116 118.789 118.789 118.865 -0.076 18869 321 1 . 1 1 116 116 CYS HA H 116 4.107 4.107 4.307 -0.200 18869 322 1 . 1 1 116 116 CYS C C 116 177.264 177.264 176.602 0.662 18869 323 1 . 1 1 116 116 CYS CA C 116 62.959 62.959 61.813 1.146 18869 324 1 . 1 1 116 116 CYS CB C 116 26.607 26.607 27.159 -0.552 18869 325 1 . 1 1 116 116 CYS H H 116 7.989 7.989 7.777 0.212 18869 326 1 . 1 1 117 117 LEU N N 117 120.670 120.670 120.831 -0.161 18869 327 1 . 1 1 117 117 LEU HA H 117 3.948 3.948 3.842 0.106 18869 328 1 . 1 1 117 117 LEU C C 117 178.291 178.291 178.586 -0.295 18869 329 1 . 1 1 117 117 LEU CA C 117 57.269 57.269 57.843 -0.574 18869 330 1 . 1 1 117 117 LEU CB C 117 42.233 42.233 41.371 0.862 18869 331 1 . 1 1 117 117 LEU H H 117 8.028 8.028 8.096 -0.068 18869 332 1 . 1 1 118 118 ALA N N 118 122.520 122.520 120.824 1.696 18869 333 1 . 1 1 118 118 ALA HA H 118 4.204 4.204 4.039 0.165 18869 334 1 . 1 1 118 118 ALA C C 118 179.805 179.805 179.170 0.635 18869 335 1 . 1 1 118 118 ALA CA C 118 54.409 54.409 55.007 -0.598 18869 336 1 . 1 1 118 118 ALA CB C 118 18.370 18.370 18.258 0.112 18869 337 1 . 1 1 118 118 ALA H H 118 8.000 8.000 7.646 0.354 18869 338 1 . 1 1 119 119 GLU N N 119 118.901 118.901 116.894 2.007 18869 339 1 . 1 1 119 119 GLU HA H 119 4.184 4.184 4.113 0.071 18869 340 1 . 1 1 119 119 GLU C C 119 178.082 178.082 178.735 -0.653 18869 341 1 . 1 1 119 119 GLU CA C 119 58.452 58.452 58.587 -0.135 18869 342 1 . 1 1 119 119 GLU CB C 119 29.666 29.666 29.262 0.404 18869 343 1 . 1 1 119 119 GLU H H 119 8.094 8.094 8.093 0.001 18869 344 1 . 1 1 120 120 THR N N 120 113.828 113.828 116.417 -2.589 18869 345 1 . 1 1 120 120 THR HA H 120 4.251 4.251 4.016 0.235 18869 346 1 . 1 1 120 120 THR C C 120 176.051 176.051 175.872 0.179 18869 347 1 . 1 1 120 120 THR CA C 120 64.664 64.664 66.100 -1.436 18869 348 1 . 1 1 120 120 THR CB C 120 69.543 69.543 68.565 0.978 18869 349 1 . 1 1 120 120 THR H H 120 7.976 7.976 8.066 -0.090 18869 350 1 . 1 1 121 121 GLU N N 121 121.927 121.927 120.501 1.426 18869 351 1 . 1 1 121 121 GLU HA H 121 4.244 4.244 4.058 0.186 18869 352 1 . 1 1 121 121 GLU C C 121 177.730 177.730 177.909 -0.179 18869 353 1 . 1 1 121 121 GLU CA C 121 57.924 57.924 58.526 -0.602 18869 354 1 . 1 1 121 121 GLU CB C 121 29.902 29.902 29.409 0.493 18869 355 1 . 1 1 121 121 GLU H H 121 8.073 8.073 7.803 0.270 18869 356 1 . 1 1 122 122 ARG N N 122 120.226 120.226 117.576 2.650 18869 357 1 . 1 1 122 122 ARG HA H 122 4.254 4.254 4.165 0.089 18869 358 1 . 1 1 122 122 ARG C C 122 177.289 177.289 176.928 0.361 18869 359 1 . 1 1 122 122 ARG CA C 122 57.711 57.711 57.122 0.589 18869 360 1 . 1 1 122 122 ARG CB C 122 30.822 30.822 30.414 0.408 18869 361 1 . 1 1 122 122 ARG H H 122 8.081 8.081 7.580 0.501 18869 362 1 . 1 1 123 123 ASN N N 123 118.062 118.062 118.440 -0.378 18869 363 1 . 1 1 123 123 ASN HA H 123 4.742 4.742 4.678 0.064 18869 364 1 . 1 1 123 123 ASN C C 123 175.035 175.035 174.552 0.483 18869 365 1 . 1 1 123 123 ASN CA C 123 53.720 53.720 53.135 0.585 18869 366 1 . 1 1 123 123 ASN CB C 123 39.042 39.042 38.934 0.108 18869 367 1 . 1 1 123 123 ASN H H 123 8.229 8.229 7.665 0.564 18869 368 1 . 1 1 124 124 ALA N N 124 123.469 123.469 125.612 -2.143 18869 369 1 . 1 1 124 124 ALA HA H 124 4.392 4.392 4.357 0.035 18869 370 1 . 1 1 124 124 ALA C C 124 177.587 177.587 177.287 0.300 18869 371 1 . 1 1 124 124 ALA CA C 124 52.779 52.779 52.276 0.503 18869 372 1 . 1 1 124 124 ALA CB C 124 19.365 19.365 19.055 0.309 18869 373 1 . 1 1 124 124 ALA H H 124 7.989 7.989 8.300 -0.311 18869 374 1 . 1 1 125 125 ARG N N 125 120.186 120.186 121.968 -1.782 18869 375 1 . 1 1 125 125 ARG HA H 125 4.486 4.486 4.436 0.050 18869 376 1 . 1 1 125 125 ARG C C 125 175.804 175.804 175.994 -0.190 18869 377 1 . 1 1 125 125 ARG CA C 125 56.252 56.252 56.114 0.138 18869 378 1 . 1 1 125 125 ARG CB C 125 30.858 30.858 30.165 0.693 18869 379 1 . 1 1 125 125 ARG H H 125 8.200 8.200 8.326 -0.126 18869 stop_ save_