data_19394 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19394 _Entry.PDB_ID 2MBB 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 19394 _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 63 63 LEU N N 63 122.281 122.281 121.639 0.642 19394 2 1 1 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.656 -0.428 19394 3 1 1 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.368 0.825 19394 4 1 1 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.812 -0.388 19394 5 1 1 . 1 1 63 63 LEU H H 63 8.343 8.343 8.214 0.129 19394 6 1 1 . 1 1 64 64 CYS N N 64 118.360 118.360 117.842 0.518 19394 7 1 1 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.482 -0.016 19394 8 1 1 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.179 -0.490 19394 9 1 1 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.343 -0.828 19394 10 1 1 . 1 1 64 64 CYS H H 64 8.245 8.245 7.996 0.249 19394 11 1 1 . 1 1 65 65 SER N N 65 117.570 117.570 117.794 -0.224 19394 12 1 1 . 1 1 65 65 SER HA H 65 4.464 4.464 4.623 -0.159 19394 13 1 1 . 1 1 65 65 SER CA C 65 57.666 57.666 57.733 -0.067 19394 14 1 1 . 1 1 65 65 SER CB C 65 63.162 63.162 63.358 -0.196 19394 15 1 1 . 1 1 65 65 SER H H 65 8.163 8.163 8.193 -0.030 19394 16 1 1 . 1 1 66 66 LEU N N 66 123.618 123.618 125.709 -2.091 19394 17 1 1 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.624 -0.356 19394 18 1 1 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.950 0.210 19394 19 1 1 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.236 -0.933 19394 20 1 1 . 1 1 66 66 LEU H H 66 7.932 7.932 8.293 -0.361 19394 21 1 1 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.525 -0.202 19394 22 1 1 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.075 -0.084 19394 23 1 1 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.450 -1.076 19394 24 1 1 . 1 1 68 68 GLU N N 68 121.685 121.685 117.031 4.654 19394 25 1 1 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.916 0.083 19394 26 1 1 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.651 0.483 19394 27 1 1 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.058 0.098 19394 28 1 1 . 1 1 68 68 GLU H H 68 8.491 8.491 8.012 0.479 19394 29 1 1 . 1 1 69 69 GLY N N 69 111.116 111.116 110.483 0.633 19394 30 1 1 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.748 -1.146 19394 31 1 1 . 1 1 69 69 GLY H H 69 8.648 8.648 8.629 0.019 19394 32 1 1 . 1 1 70 70 VAL N N 70 118.359 118.359 118.870 -0.511 19394 33 1 1 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.056 -0.156 19394 34 1 1 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.530 -1.034 19394 35 1 1 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.252 -1.055 19394 36 1 1 . 1 1 70 70 VAL H H 70 7.226 7.226 7.198 0.028 19394 37 1 1 . 1 1 71 71 ASP N N 71 127.269 127.269 127.371 -0.102 19394 38 1 1 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.747 -0.230 19394 39 1 1 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.928 0.398 19394 40 1 1 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.901 -0.360 19394 41 1 1 . 1 1 71 71 ASP H H 71 8.683 8.683 8.436 0.247 19394 42 1 1 . 1 1 72 72 GLN N N 72 127.038 127.038 125.753 1.285 19394 43 1 1 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.952 -0.134 19394 44 1 1 . 1 1 72 72 GLN CA C 72 58.673 58.673 58.811 -0.138 19394 45 1 1 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.652 -0.708 19394 46 1 1 . 1 1 72 72 GLN H H 72 8.957 8.957 8.966 -0.009 19394 47 1 1 . 1 1 73 73 GLU N N 73 118.406 118.406 118.522 -0.116 19394 48 1 1 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.081 -0.058 19394 49 1 1 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.239 -1.050 19394 50 1 1 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.138 -0.714 19394 51 1 1 . 1 1 73 73 GLU H H 73 8.230 8.230 8.164 0.066 19394 52 1 1 . 1 1 74 74 VAL N N 74 119.834 119.834 119.526 0.308 19394 53 1 1 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.743 -0.458 19394 54 1 1 . 1 1 74 74 VAL CA C 74 65.383 65.383 66.252 -0.869 19394 55 1 1 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.764 -0.620 19394 56 1 1 . 1 1 74 74 VAL H H 74 7.736 7.736 8.138 -0.402 19394 57 1 1 . 1 1 75 75 PHE N N 75 118.185 118.185 120.636 -2.451 19394 58 1 1 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.107 -0.453 19394 59 1 1 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.072 -0.840 19394 60 1 1 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.367 0.259 19394 61 1 1 . 1 1 75 75 PHE H H 75 8.224 8.224 8.488 -0.264 19394 62 1 1 . 1 1 76 76 LYS N N 76 113.494 113.494 117.098 -3.604 19394 63 1 1 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.125 -0.330 19394 64 1 1 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.532 -0.880 19394 65 1 1 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.634 0.342 19394 66 1 1 . 1 1 76 76 LYS H H 76 7.628 7.628 8.588 -0.960 19394 67 1 1 . 1 1 77 77 GLN N N 77 115.735 115.735 117.710 -1.975 19394 68 1 1 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.268 -0.070 19394 69 1 1 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.380 -1.913 19394 70 1 1 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.624 -0.953 19394 71 1 1 . 1 1 77 77 GLN H H 77 7.471 7.471 7.444 0.027 19394 72 1 1 . 1 1 78 78 LEU N N 78 119.615 119.615 121.242 -1.627 19394 73 1 1 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.332 -0.030 19394 74 1 1 . 1 1 78 78 LEU CA C 78 51.933 51.933 53.036 -1.103 19394 75 1 1 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.788 -1.615 19394 76 1 1 . 1 1 78 78 LEU H H 78 7.083 7.083 7.337 -0.254 19394 77 1 1 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.534 -0.066 19394 78 1 1 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.180 -0.675 19394 79 1 1 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.619 -0.663 19394 80 1 1 . 1 1 80 80 VAL N N 80 122.107 122.107 120.119 1.988 19394 81 1 1 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.663 0.045 19394 82 1 1 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.550 -0.469 19394 83 1 1 . 1 1 80 80 VAL CB C 80 31.171 31.171 32.130 -0.959 19394 84 1 1 . 1 1 80 80 VAL H H 80 8.659 8.659 8.515 0.144 19394 85 1 1 . 1 1 81 81 ASP N N 81 117.312 117.312 118.935 -1.623 19394 86 1 1 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.401 -0.047 19394 87 1 1 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.459 -1.641 19394 88 1 1 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.145 -1.613 19394 89 1 1 . 1 1 81 81 ASP H H 81 8.691 8.691 8.684 0.007 19394 90 1 1 . 1 1 82 82 ILE N N 82 121.282 121.282 119.233 2.049 19394 91 1 1 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.883 -0.048 19394 92 1 1 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.042 1.092 19394 93 1 1 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.120 -0.498 19394 94 1 1 . 1 1 82 82 ILE H H 82 7.116 7.116 7.367 -0.251 19394 95 1 1 . 1 1 83 83 GLN N N 83 119.414 119.414 118.688 0.726 19394 96 1 1 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.669 -0.087 19394 97 1 1 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.161 0.152 19394 98 1 1 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.535 -1.227 19394 99 1 1 . 1 1 83 83 GLN H H 83 8.039 8.039 8.009 0.030 19394 100 1 1 . 1 1 84 84 GLU N N 84 115.831 115.831 118.168 -2.337 19394 101 1 1 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.209 -0.262 19394 102 1 1 . 1 1 84 84 GLU CA C 84 58.820 58.820 58.736 0.084 19394 103 1 1 . 1 1 84 84 GLU CB C 84 28.961 28.961 29.100 -0.139 19394 104 1 1 . 1 1 84 84 GLU H H 84 8.249 8.249 8.078 0.171 19394 105 1 1 . 1 1 85 85 GLU N N 85 121.288 121.288 120.968 0.320 19394 106 1 1 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.108 -0.107 19394 107 1 1 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.076 -0.301 19394 108 1 1 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.872 -0.188 19394 109 1 1 . 1 1 85 85 GLU H H 85 7.589 7.589 7.422 0.167 19394 110 1 1 . 1 1 86 86 ILE N N 86 120.118 120.118 118.692 1.426 19394 111 1 1 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.994 -0.215 19394 112 1 1 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.555 -0.860 19394 113 1 1 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.365 -0.642 19394 114 1 1 . 1 1 86 86 ILE H H 86 8.152 8.152 7.746 0.406 19394 115 1 1 . 1 1 87 87 LEU N N 87 118.574 118.574 119.757 -1.183 19394 116 1 1 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.232 -0.159 19394 117 1 1 . 1 1 87 87 LEU CA C 87 56.500 56.500 56.902 -0.402 19394 118 1 1 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.291 0.008 19394 119 1 1 . 1 1 87 87 LEU H H 87 8.266 8.266 7.640 0.626 19394 120 1 1 . 1 1 88 88 SER N N 88 112.968 112.968 113.027 -0.059 19394 121 1 1 . 1 1 88 88 SER HA H 88 4.402 4.402 4.309 0.093 19394 122 1 1 . 1 1 88 88 SER CA C 88 59.317 59.317 59.823 -0.506 19394 123 1 1 . 1 1 88 88 SER CB C 88 63.412 63.412 63.780 -0.368 19394 124 1 1 . 1 1 88 88 SER H H 88 8.081 8.081 7.750 0.332 19394 125 1 1 . 1 1 89 89 GLY N N 89 110.018 110.018 109.153 0.865 19394 126 1 1 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.143 0.464 19394 127 1 1 . 1 1 89 89 GLY H H 89 8.005 8.005 7.576 0.429 19394 128 1 1 . 1 1 90 90 LYS N N 90 119.834 119.834 118.843 0.991 19394 129 1 1 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.724 -0.407 19394 130 1 1 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.235 1.724 19394 131 1 1 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.626 -1.071 19394 132 1 1 . 1 1 90 90 LYS H H 90 8.008 8.008 7.366 0.642 19394 133 1 1 . 1 1 91 91 SER N N 91 115.231 115.231 113.211 2.020 19394 134 1 1 . 1 1 91 91 SER HA H 91 4.357 4.357 4.131 0.226 19394 135 1 1 . 1 1 91 91 SER CA C 91 58.171 58.171 58.841 -0.670 19394 136 1 1 . 1 1 91 91 SER CB C 91 63.087 63.087 62.195 0.892 19394 137 1 1 . 1 1 91 91 SER H H 91 8.179 8.179 8.458 -0.279 19394 138 1 1 . 1 1 92 92 ARG N N 92 122.647 122.647 120.269 2.378 19394 139 1 1 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.330 -0.055 19394 140 1 1 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.421 0.564 19394 141 1 1 . 1 1 92 92 ARG H H 92 8.383 8.383 7.881 0.502 19394 142 1 1 . 1 1 93 93 GLU N N 93 120.781 120.781 123.982 -3.201 19394 143 1 1 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.210 -0.155 19394 144 1 1 . 1 1 93 93 GLU CA C 93 56.594 56.594 57.172 -0.578 19394 145 1 1 . 1 1 93 93 GLU CB C 93 29.448 29.448 30.154 -0.706 19394 146 1 1 . 1 1 93 93 GLU H H 93 8.408 8.408 8.590 -0.182 19394 147 1 1 . 1 1 94 94 LYS N N 94 120.821 120.821 120.691 0.130 19394 148 1 1 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.106 0.092 19394 149 1 1 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.624 -1.589 19394 150 1 1 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.441 -0.268 19394 151 1 1 . 1 1 94 94 LYS H H 94 8.148 8.148 8.133 0.015 19394 152 1 1 . 1 1 95 95 PHE N N 95 120.657 120.657 115.264 5.393 19394 153 1 1 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.768 -0.206 19394 154 1 1 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.111 1.230 19394 155 1 1 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.377 -1.533 19394 156 1 1 . 1 1 95 95 PHE H H 95 8.172 8.172 6.882 1.290 19394 157 1 1 . 1 1 96 96 GLN N N 96 121.865 121.865 119.740 2.125 19394 158 1 1 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.493 -0.210 19394 159 1 1 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.867 0.563 19394 160 1 1 . 1 1 96 96 GLN CB C 96 28.936 28.936 30.043 -1.107 19394 161 1 1 . 1 1 96 96 GLN H H 96 8.256 8.256 8.597 -0.341 19394 162 1 1 . 1 1 97 97 GLY N N 97 109.195 109.195 111.031 -1.836 19394 163 1 1 . 1 1 97 97 GLY H H 97 7.926 7.926 8.577 -0.651 19394 164 1 1 . 1 1 98 98 LYS N N 98 120.394 120.394 123.333 -2.939 19394 165 1 1 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.465 -0.163 19394 166 1 1 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.802 -0.162 19394 167 1 1 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.587 0.861 19394 168 1 1 . 1 1 98 98 LYS H H 98 8.145 8.145 8.623 -0.478 19394 169 1 2 . 1 1 63 63 LEU N N 63 122.281 122.281 122.429 -0.148 19394 170 1 2 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.442 -0.214 19394 171 1 2 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.417 0.776 19394 172 1 2 . 1 1 63 63 LEU CB C 63 41.424 41.424 42.028 -0.604 19394 173 1 2 . 1 1 63 63 LEU H H 63 8.343 8.343 8.474 -0.131 19394 174 1 2 . 1 1 64 64 CYS N N 64 118.360 118.360 118.049 0.311 19394 175 1 2 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.313 0.153 19394 176 1 2 . 1 1 64 64 CYS CA C 64 57.689 57.689 60.318 -2.629 19394 177 1 2 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.380 -0.865 19394 178 1 2 . 1 1 64 64 CYS H H 64 8.245 8.245 8.281 -0.036 19394 179 1 2 . 1 1 65 65 SER N N 65 117.570 117.570 115.329 2.241 19394 180 1 2 . 1 1 65 65 SER HA H 65 4.464 4.464 4.649 -0.185 19394 181 1 2 . 1 1 65 65 SER CA C 65 57.666 57.666 58.136 -0.470 19394 182 1 2 . 1 1 65 65 SER CB C 65 63.162 63.162 64.011 -0.849 19394 183 1 2 . 1 1 65 65 SER H H 65 8.163 8.163 8.119 0.044 19394 184 1 2 . 1 1 66 66 LEU N N 66 123.618 123.618 125.302 -1.684 19394 185 1 2 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.709 -0.441 19394 186 1 2 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.501 0.659 19394 187 1 2 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.065 -0.762 19394 188 1 2 . 1 1 66 66 LEU H H 66 7.932 7.932 8.293 -0.361 19394 189 1 2 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.675 -0.352 19394 190 1 2 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.292 -0.301 19394 191 1 2 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.532 -1.158 19394 192 1 2 . 1 1 68 68 GLU N N 68 121.685 121.685 117.844 3.841 19394 193 1 2 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.988 0.011 19394 194 1 2 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.942 0.192 19394 195 1 2 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.269 -0.113 19394 196 1 2 . 1 1 68 68 GLU H H 68 8.491 8.491 8.414 0.077 19394 197 1 2 . 1 1 69 69 GLY N N 69 111.116 111.116 110.480 0.636 19394 198 1 2 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.648 -1.046 19394 199 1 2 . 1 1 69 69 GLY H H 69 8.648 8.648 8.684 -0.036 19394 200 1 2 . 1 1 70 70 VAL N N 70 118.359 118.359 118.219 0.140 19394 201 1 2 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.056 -0.156 19394 202 1 2 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.721 -1.225 19394 203 1 2 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.023 -0.826 19394 204 1 2 . 1 1 70 70 VAL H H 70 7.226 7.226 7.218 0.008 19394 205 1 2 . 1 1 71 71 ASP N N 71 127.269 127.269 127.122 0.147 19394 206 1 2 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.770 -0.253 19394 207 1 2 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.071 0.255 19394 208 1 2 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.728 -0.187 19394 209 1 2 . 1 1 71 71 ASP H H 71 8.683 8.683 8.504 0.179 19394 210 1 2 . 1 1 72 72 GLN N N 72 127.038 127.038 125.508 1.530 19394 211 1 2 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.939 -0.121 19394 212 1 2 . 1 1 72 72 GLN CA C 72 58.673 58.673 58.987 -0.314 19394 213 1 2 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.762 -0.818 19394 214 1 2 . 1 1 72 72 GLN H H 72 8.957 8.957 8.951 0.006 19394 215 1 2 . 1 1 73 73 GLU N N 73 118.406 118.406 118.481 -0.075 19394 216 1 2 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.059 -0.036 19394 217 1 2 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.203 -1.015 19394 218 1 2 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.431 -1.007 19394 219 1 2 . 1 1 73 73 GLU H H 73 8.230 8.230 8.115 0.115 19394 220 1 2 . 1 1 74 74 VAL N N 74 119.834 119.834 118.239 1.595 19394 221 1 2 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.896 -0.611 19394 222 1 2 . 1 1 74 74 VAL CA C 74 65.383 65.383 63.806 1.577 19394 223 1 2 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.360 -0.216 19394 224 1 2 . 1 1 74 74 VAL H H 74 7.736 7.736 8.214 -0.478 19394 225 1 2 . 1 1 75 75 PHE N N 75 118.185 118.185 121.210 -3.025 19394 226 1 2 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.083 -0.429 19394 227 1 2 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.303 -1.071 19394 228 1 2 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.312 0.314 19394 229 1 2 . 1 1 75 75 PHE H H 75 8.224 8.224 8.580 -0.356 19394 230 1 2 . 1 1 76 76 LYS N N 76 113.494 113.494 117.365 -3.871 19394 231 1 2 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.133 -0.338 19394 232 1 2 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.496 -0.844 19394 233 1 2 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.676 0.300 19394 234 1 2 . 1 1 76 76 LYS H H 76 7.628 7.628 8.373 -0.745 19394 235 1 2 . 1 1 77 77 GLN N N 77 115.735 115.735 117.307 -1.572 19394 236 1 2 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.274 -0.076 19394 237 1 2 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.084 -1.617 19394 238 1 2 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.348 -0.677 19394 239 1 2 . 1 1 77 77 GLN H H 77 7.471 7.471 7.780 -0.309 19394 240 1 2 . 1 1 78 78 LEU N N 78 119.615 119.615 121.540 -1.925 19394 241 1 2 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.572 -0.270 19394 242 1 2 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.358 -0.424 19394 243 1 2 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.762 -1.589 19394 244 1 2 . 1 1 78 78 LEU H H 78 7.083 7.083 7.397 -0.314 19394 245 1 2 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.475 -0.007 19394 246 1 2 . 1 1 79 79 PRO CA C 79 61.505 61.505 61.993 -0.488 19394 247 1 2 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.524 -0.568 19394 248 1 2 . 1 1 80 80 VAL N N 80 122.107 122.107 121.369 0.738 19394 249 1 2 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.747 -0.039 19394 250 1 2 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.021 0.060 19394 251 1 2 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.529 -0.358 19394 252 1 2 . 1 1 80 80 VAL H H 80 8.659 8.659 8.567 0.092 19394 253 1 2 . 1 1 81 81 ASP N N 81 117.312 117.312 118.953 -1.641 19394 254 1 2 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.396 -0.042 19394 255 1 2 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.532 -1.714 19394 256 1 2 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.090 -1.558 19394 257 1 2 . 1 1 81 81 ASP H H 81 8.691 8.691 8.651 0.040 19394 258 1 2 . 1 1 82 82 ILE N N 82 121.282 121.282 118.996 2.286 19394 259 1 2 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.913 -0.078 19394 260 1 2 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.774 1.360 19394 261 1 2 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.006 -0.384 19394 262 1 2 . 1 1 82 82 ILE H H 82 7.116 7.116 7.447 -0.331 19394 263 1 2 . 1 1 83 83 GLN N N 83 119.414 119.414 118.643 0.771 19394 264 1 2 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.714 -0.132 19394 265 1 2 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.197 0.116 19394 266 1 2 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.487 -1.179 19394 267 1 2 . 1 1 83 83 GLN H H 83 8.039 8.039 7.838 0.201 19394 268 1 2 . 1 1 84 84 GLU N N 84 115.831 115.831 118.111 -2.280 19394 269 1 2 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.242 -0.295 19394 270 1 2 . 1 1 84 84 GLU CA C 84 58.820 58.820 58.420 0.400 19394 271 1 2 . 1 1 84 84 GLU CB C 84 28.961 28.961 29.420 -0.459 19394 272 1 2 . 1 1 84 84 GLU H H 84 8.249 8.249 8.059 0.190 19394 273 1 2 . 1 1 85 85 GLU N N 85 121.288 121.288 120.864 0.424 19394 274 1 2 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.110 -0.109 19394 275 1 2 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.967 -0.192 19394 276 1 2 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.906 -0.222 19394 277 1 2 . 1 1 85 85 GLU H H 85 7.589 7.589 7.411 0.178 19394 278 1 2 . 1 1 86 86 ILE N N 86 120.118 120.118 118.948 1.170 19394 279 1 2 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.965 -0.186 19394 280 1 2 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.627 -0.932 19394 281 1 2 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.362 -0.639 19394 282 1 2 . 1 1 86 86 ILE H H 86 8.152 8.152 7.944 0.208 19394 283 1 2 . 1 1 87 87 LEU N N 87 118.574 118.574 120.511 -1.937 19394 284 1 2 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.192 -0.119 19394 285 1 2 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.216 -0.716 19394 286 1 2 . 1 1 87 87 LEU CB C 87 41.299 41.299 40.876 0.423 19394 287 1 2 . 1 1 87 87 LEU H H 87 8.266 8.266 7.814 0.452 19394 288 1 2 . 1 1 88 88 SER N N 88 112.968 112.968 112.306 0.662 19394 289 1 2 . 1 1 88 88 SER HA H 88 4.402 4.402 4.328 0.074 19394 290 1 2 . 1 1 88 88 SER CA C 88 59.317 59.317 59.639 -0.321 19394 291 1 2 . 1 1 88 88 SER CB C 88 63.412 63.412 63.833 -0.421 19394 292 1 2 . 1 1 88 88 SER H H 88 8.081 8.081 7.692 0.389 19394 293 1 2 . 1 1 89 89 GLY N N 89 110.018 110.018 108.227 1.791 19394 294 1 2 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.294 0.313 19394 295 1 2 . 1 1 89 89 GLY H H 89 8.005 8.005 8.102 -0.097 19394 296 1 2 . 1 1 90 90 LYS N N 90 119.834 119.834 119.228 0.606 19394 297 1 2 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.626 -0.309 19394 298 1 2 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.895 1.064 19394 299 1 2 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.951 -1.397 19394 300 1 2 . 1 1 90 90 LYS H H 90 8.008 8.008 7.232 0.776 19394 301 1 2 . 1 1 91 91 SER N N 91 115.231 115.231 113.209 2.022 19394 302 1 2 . 1 1 91 91 SER HA H 91 4.357 4.357 4.172 0.185 19394 303 1 2 . 1 1 91 91 SER CA C 91 58.171 58.171 59.019 -0.848 19394 304 1 2 . 1 1 91 91 SER CB C 91 63.087 63.087 62.565 0.522 19394 305 1 2 . 1 1 91 91 SER H H 91 8.179 8.179 8.555 -0.376 19394 306 1 2 . 1 1 92 92 ARG N N 92 122.647 122.647 122.096 0.551 19394 307 1 2 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.214 0.061 19394 308 1 2 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.382 0.603 19394 309 1 2 . 1 1 92 92 ARG H H 92 8.383 8.383 7.927 0.456 19394 310 1 2 . 1 1 93 93 GLU N N 93 120.781 120.781 121.553 -0.772 19394 311 1 2 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.096 -0.041 19394 312 1 2 . 1 1 93 93 GLU CA C 93 56.594 56.594 57.621 -1.027 19394 313 1 2 . 1 1 93 93 GLU CB C 93 29.448 29.448 30.056 -0.608 19394 314 1 2 . 1 1 93 93 GLU H H 93 8.408 8.408 8.251 0.157 19394 315 1 2 . 1 1 94 94 LYS N N 94 120.821 120.821 120.652 0.169 19394 316 1 2 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.102 0.096 19394 317 1 2 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.794 -1.759 19394 318 1 2 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.471 -0.299 19394 319 1 2 . 1 1 94 94 LYS H H 94 8.148 8.148 8.231 -0.083 19394 320 1 2 . 1 1 95 95 PHE N N 95 120.657 120.657 113.405 7.252 19394 321 1 2 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.748 -0.186 19394 322 1 2 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.295 1.046 19394 323 1 2 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.565 -1.721 19394 324 1 2 . 1 1 95 95 PHE H H 95 8.172 8.172 7.010 1.162 19394 325 1 2 . 1 1 96 96 GLN N N 96 121.865 121.865 118.507 3.358 19394 326 1 2 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.558 -0.275 19394 327 1 2 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.523 0.907 19394 328 1 2 . 1 1 96 96 GLN CB C 96 28.936 28.936 31.666 -2.730 19394 329 1 2 . 1 1 96 96 GLN H H 96 8.256 8.256 8.627 -0.371 19394 330 1 2 . 1 1 97 97 GLY N N 97 109.195 109.195 108.796 0.399 19394 331 1 2 . 1 1 97 97 GLY H H 97 7.926 7.926 8.647 -0.721 19394 332 1 2 . 1 1 98 98 LYS N N 98 120.394 120.394 126.973 -6.579 19394 333 1 2 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.373 -0.071 19394 334 1 2 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.737 -1.097 19394 335 1 2 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.589 -0.141 19394 336 1 2 . 1 1 98 98 LYS H H 98 8.145 8.145 9.223 -1.078 19394 337 1 3 . 1 1 63 63 LEU N N 63 122.281 122.281 121.415 0.866 19394 338 1 3 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.708 -0.480 19394 339 1 3 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.472 0.721 19394 340 1 3 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.702 -0.278 19394 341 1 3 . 1 1 63 63 LEU H H 63 8.343 8.343 8.225 0.118 19394 342 1 3 . 1 1 64 64 CYS N N 64 118.360 118.360 118.224 0.136 19394 343 1 3 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.418 0.048 19394 344 1 3 . 1 1 64 64 CYS CA C 64 57.689 57.689 59.070 -1.381 19394 345 1 3 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.526 -1.010 19394 346 1 3 . 1 1 64 64 CYS H H 64 8.245 8.245 7.903 0.342 19394 347 1 3 . 1 1 65 65 SER N N 65 117.570 117.570 117.417 0.153 19394 348 1 3 . 1 1 65 65 SER HA H 65 4.464 4.464 4.609 -0.145 19394 349 1 3 . 1 1 65 65 SER CA C 65 57.666 57.666 57.641 0.025 19394 350 1 3 . 1 1 65 65 SER CB C 65 63.162 63.162 63.528 -0.366 19394 351 1 3 . 1 1 65 65 SER H H 65 8.163 8.163 8.242 -0.079 19394 352 1 3 . 1 1 66 66 LEU N N 66 123.618 123.618 125.835 -2.217 19394 353 1 3 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.595 -0.327 19394 354 1 3 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.003 0.157 19394 355 1 3 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.134 -0.831 19394 356 1 3 . 1 1 66 66 LEU H H 66 7.932 7.932 8.254 -0.322 19394 357 1 3 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.577 -0.254 19394 358 1 3 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.243 -0.252 19394 359 1 3 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.412 -1.038 19394 360 1 3 . 1 1 68 68 GLU N N 68 121.685 121.685 118.673 3.012 19394 361 1 3 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.983 0.016 19394 362 1 3 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.755 0.379 19394 363 1 3 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.004 0.152 19394 364 1 3 . 1 1 68 68 GLU H H 68 8.491 8.491 8.507 -0.016 19394 365 1 3 . 1 1 69 69 GLY N N 69 111.116 111.116 110.453 0.663 19394 366 1 3 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.710 -1.108 19394 367 1 3 . 1 1 69 69 GLY H H 69 8.648 8.648 8.622 0.026 19394 368 1 3 . 1 1 70 70 VAL N N 70 118.359 118.359 118.908 -0.549 19394 369 1 3 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.042 -0.142 19394 370 1 3 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.602 -1.106 19394 371 1 3 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.243 -1.046 19394 372 1 3 . 1 1 70 70 VAL H H 70 7.226 7.226 7.168 0.058 19394 373 1 3 . 1 1 71 71 ASP N N 71 127.269 127.269 127.080 0.189 19394 374 1 3 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.772 -0.255 19394 375 1 3 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.691 0.635 19394 376 1 3 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.752 -0.210 19394 377 1 3 . 1 1 71 71 ASP H H 71 8.683 8.683 8.411 0.272 19394 378 1 3 . 1 1 72 72 GLN N N 72 127.038 127.038 125.727 1.311 19394 379 1 3 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.937 -0.119 19394 380 1 3 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.341 -0.668 19394 381 1 3 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.856 -0.912 19394 382 1 3 . 1 1 72 72 GLN H H 72 8.957 8.957 8.954 0.003 19394 383 1 3 . 1 1 73 73 GLU N N 73 118.406 118.406 118.482 -0.076 19394 384 1 3 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.090 -0.067 19394 385 1 3 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.441 -1.253 19394 386 1 3 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.081 -0.657 19394 387 1 3 . 1 1 73 73 GLU H H 73 8.230 8.230 8.189 0.041 19394 388 1 3 . 1 1 74 74 VAL N N 74 119.834 119.834 118.188 1.646 19394 389 1 3 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.810 -0.525 19394 390 1 3 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.758 -0.375 19394 391 1 3 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.460 -0.316 19394 392 1 3 . 1 1 74 74 VAL H H 74 7.736 7.736 7.505 0.231 19394 393 1 3 . 1 1 75 75 PHE N N 75 118.185 118.185 120.918 -2.733 19394 394 1 3 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.134 -0.480 19394 395 1 3 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.129 -0.897 19394 396 1 3 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.282 0.344 19394 397 1 3 . 1 1 75 75 PHE H H 75 8.224 8.224 8.623 -0.399 19394 398 1 3 . 1 1 76 76 LYS N N 76 113.494 113.494 117.120 -3.626 19394 399 1 3 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.124 -0.329 19394 400 1 3 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.528 -0.876 19394 401 1 3 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.610 0.366 19394 402 1 3 . 1 1 76 76 LYS H H 76 7.628 7.628 8.613 -0.985 19394 403 1 3 . 1 1 77 77 GLN N N 77 115.735 115.735 117.180 -1.445 19394 404 1 3 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.265 -0.067 19394 405 1 3 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.181 -1.714 19394 406 1 3 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.587 -0.916 19394 407 1 3 . 1 1 77 77 GLN H H 77 7.471 7.471 7.492 -0.021 19394 408 1 3 . 1 1 78 78 LEU N N 78 119.615 119.615 121.128 -1.513 19394 409 1 3 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.359 -0.057 19394 410 1 3 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.874 -0.941 19394 411 1 3 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.796 -1.623 19394 412 1 3 . 1 1 78 78 LEU H H 78 7.083 7.083 7.273 -0.190 19394 413 1 3 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.495 -0.027 19394 414 1 3 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.029 -0.524 19394 415 1 3 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.483 -0.526 19394 416 1 3 . 1 1 80 80 VAL N N 80 122.107 122.107 121.077 1.030 19394 417 1 3 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.713 -0.005 19394 418 1 3 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.364 -0.283 19394 419 1 3 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.668 -0.497 19394 420 1 3 . 1 1 80 80 VAL H H 80 8.659 8.659 8.463 0.196 19394 421 1 3 . 1 1 81 81 ASP N N 81 117.312 117.312 119.049 -1.737 19394 422 1 3 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.398 -0.044 19394 423 1 3 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.520 -1.702 19394 424 1 3 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.539 -2.007 19394 425 1 3 . 1 1 81 81 ASP H H 81 8.691 8.691 8.716 -0.026 19394 426 1 3 . 1 1 82 82 ILE N N 82 121.282 121.282 119.677 1.605 19394 427 1 3 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.949 -0.114 19394 428 1 3 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.819 1.315 19394 429 1 3 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.089 -0.467 19394 430 1 3 . 1 1 82 82 ILE H H 82 7.116 7.116 7.390 -0.274 19394 431 1 3 . 1 1 83 83 GLN N N 83 119.414 119.414 119.771 -0.357 19394 432 1 3 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.632 -0.050 19394 433 1 3 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.638 -0.325 19394 434 1 3 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.682 -1.374 19394 435 1 3 . 1 1 83 83 GLN H H 83 8.039 8.039 7.919 0.120 19394 436 1 3 . 1 1 84 84 GLU N N 84 115.831 115.831 119.001 -3.170 19394 437 1 3 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.055 -0.108 19394 438 1 3 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.398 -0.578 19394 439 1 3 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.655 0.306 19394 440 1 3 . 1 1 84 84 GLU H H 84 8.249 8.249 8.540 -0.291 19394 441 1 3 . 1 1 85 85 GLU N N 85 121.288 121.288 120.547 0.741 19394 442 1 3 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.104 -0.103 19394 443 1 3 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.125 -0.350 19394 444 1 3 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.702 -0.018 19394 445 1 3 . 1 1 85 85 GLU H H 85 7.589 7.589 7.504 0.085 19394 446 1 3 . 1 1 86 86 ILE N N 86 120.118 120.118 119.058 1.060 19394 447 1 3 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.972 -0.193 19394 448 1 3 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.558 -0.863 19394 449 1 3 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.328 -0.605 19394 450 1 3 . 1 1 86 86 ILE H H 86 8.152 8.152 7.702 0.450 19394 451 1 3 . 1 1 87 87 LEU N N 87 118.574 118.574 120.296 -1.722 19394 452 1 3 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.272 -0.199 19394 453 1 3 . 1 1 87 87 LEU CA C 87 56.500 56.500 56.835 -0.335 19394 454 1 3 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.228 0.071 19394 455 1 3 . 1 1 87 87 LEU H H 87 8.266 8.266 8.024 0.242 19394 456 1 3 . 1 1 88 88 SER N N 88 112.968 112.968 113.040 -0.072 19394 457 1 3 . 1 1 88 88 SER HA H 88 4.402 4.402 4.364 0.038 19394 458 1 3 . 1 1 88 88 SER CA C 88 59.317 59.317 59.960 -0.643 19394 459 1 3 . 1 1 88 88 SER CB C 88 63.412 63.412 63.731 -0.320 19394 460 1 3 . 1 1 88 88 SER H H 88 8.081 8.081 7.953 0.128 19394 461 1 3 . 1 1 89 89 GLY N N 89 110.018 110.018 108.555 1.463 19394 462 1 3 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.295 0.312 19394 463 1 3 . 1 1 89 89 GLY H H 89 8.005 8.005 7.578 0.427 19394 464 1 3 . 1 1 90 90 LYS N N 90 119.834 119.834 118.570 1.264 19394 465 1 3 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.624 -0.307 19394 466 1 3 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.517 1.442 19394 467 1 3 . 1 1 90 90 LYS CB C 90 32.554 32.554 34.038 -1.484 19394 468 1 3 . 1 1 90 90 LYS H H 90 8.008 8.008 7.407 0.601 19394 469 1 3 . 1 1 91 91 SER N N 91 115.231 115.231 113.202 2.029 19394 470 1 3 . 1 1 91 91 SER HA H 91 4.357 4.357 4.092 0.265 19394 471 1 3 . 1 1 91 91 SER CA C 91 58.171 58.171 59.299 -1.128 19394 472 1 3 . 1 1 91 91 SER CB C 91 63.087 63.087 61.749 1.338 19394 473 1 3 . 1 1 91 91 SER H H 91 8.179 8.179 8.710 -0.531 19394 474 1 3 . 1 1 92 92 ARG N N 92 122.647 122.647 119.833 2.814 19394 475 1 3 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.374 -0.099 19394 476 1 3 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.022 0.963 19394 477 1 3 . 1 1 92 92 ARG H H 92 8.383 8.383 8.077 0.306 19394 478 1 3 . 1 1 93 93 GLU N N 93 120.781 120.781 121.393 -0.612 19394 479 1 3 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.211 -0.156 19394 480 1 3 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.169 0.425 19394 481 1 3 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.803 -0.355 19394 482 1 3 . 1 1 93 93 GLU H H 93 8.408 8.408 8.229 0.179 19394 483 1 3 . 1 1 94 94 LYS N N 94 120.821 120.821 121.458 -0.637 19394 484 1 3 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.081 0.117 19394 485 1 3 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.654 -1.619 19394 486 1 3 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.298 -0.126 19394 487 1 3 . 1 1 94 94 LYS H H 94 8.148 8.148 7.944 0.204 19394 488 1 3 . 1 1 95 95 PHE N N 95 120.657 120.657 113.769 6.888 19394 489 1 3 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.746 -0.184 19394 490 1 3 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.226 2.115 19394 491 1 3 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.524 -1.680 19394 492 1 3 . 1 1 95 95 PHE H H 95 8.172 8.172 6.728 1.444 19394 493 1 3 . 1 1 96 96 GLN N N 96 121.865 121.865 121.210 0.655 19394 494 1 3 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.414 -0.131 19394 495 1 3 . 1 1 96 96 GLN CA C 96 55.430 55.430 56.114 -0.684 19394 496 1 3 . 1 1 96 96 GLN CB C 96 28.936 28.936 29.167 -0.231 19394 497 1 3 . 1 1 96 96 GLN H H 96 8.256 8.256 8.621 -0.365 19394 498 1 3 . 1 1 97 97 GLY N N 97 109.195 109.195 111.076 -1.881 19394 499 1 3 . 1 1 97 97 GLY H H 97 7.926 7.926 8.484 -0.558 19394 500 1 3 . 1 1 98 98 LYS N N 98 120.394 120.394 120.247 0.147 19394 501 1 3 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.545 -0.243 19394 502 1 3 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.898 -0.258 19394 503 1 3 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.631 0.817 19394 504 1 3 . 1 1 98 98 LYS H H 98 8.145 8.145 8.553 -0.408 19394 505 1 4 . 1 1 63 63 LEU N N 63 122.281 122.281 121.890 0.391 19394 506 1 4 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.687 -0.459 19394 507 1 4 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.419 0.774 19394 508 1 4 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.823 -0.399 19394 509 1 4 . 1 1 63 63 LEU H H 63 8.343 8.343 8.227 0.116 19394 510 1 4 . 1 1 64 64 CYS N N 64 118.360 118.360 118.933 -0.573 19394 511 1 4 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.479 -0.013 19394 512 1 4 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.956 -1.267 19394 513 1 4 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.253 -0.738 19394 514 1 4 . 1 1 64 64 CYS H H 64 8.245 8.245 7.920 0.325 19394 515 1 4 . 1 1 65 65 SER N N 65 117.570 117.570 117.623 -0.053 19394 516 1 4 . 1 1 65 65 SER HA H 65 4.464 4.464 4.639 -0.175 19394 517 1 4 . 1 1 65 65 SER CA C 65 57.666 57.666 57.862 -0.196 19394 518 1 4 . 1 1 65 65 SER CB C 65 63.162 63.162 63.090 0.072 19394 519 1 4 . 1 1 65 65 SER H H 65 8.163 8.163 8.180 -0.017 19394 520 1 4 . 1 1 66 66 LEU N N 66 123.618 123.618 125.748 -2.130 19394 521 1 4 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.606 -0.338 19394 522 1 4 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.989 0.172 19394 523 1 4 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.204 -0.901 19394 524 1 4 . 1 1 66 66 LEU H H 66 7.932 7.932 8.238 -0.306 19394 525 1 4 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.585 -0.262 19394 526 1 4 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.255 -0.264 19394 527 1 4 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.538 -1.164 19394 528 1 4 . 1 1 68 68 GLU N N 68 121.685 121.685 118.793 2.892 19394 529 1 4 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.984 0.015 19394 530 1 4 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.722 0.412 19394 531 1 4 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.083 0.073 19394 532 1 4 . 1 1 68 68 GLU H H 68 8.491 8.491 8.453 0.038 19394 533 1 4 . 1 1 69 69 GLY N N 69 111.116 111.116 110.636 0.480 19394 534 1 4 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.708 -1.106 19394 535 1 4 . 1 1 69 69 GLY H H 69 8.648 8.648 8.636 0.012 19394 536 1 4 . 1 1 70 70 VAL N N 70 118.359 118.359 118.882 -0.523 19394 537 1 4 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.025 -0.125 19394 538 1 4 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.566 -1.070 19394 539 1 4 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.213 -1.016 19394 540 1 4 . 1 1 70 70 VAL H H 70 7.226 7.226 7.197 0.029 19394 541 1 4 . 1 1 71 71 ASP N N 71 127.269 127.269 127.134 0.135 19394 542 1 4 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.759 -0.242 19394 543 1 4 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.911 0.415 19394 544 1 4 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.766 -0.225 19394 545 1 4 . 1 1 71 71 ASP H H 71 8.683 8.683 8.418 0.265 19394 546 1 4 . 1 1 72 72 GLN N N 72 127.038 127.038 125.514 1.524 19394 547 1 4 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.941 -0.123 19394 548 1 4 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.335 -0.662 19394 549 1 4 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.846 -0.902 19394 550 1 4 . 1 1 72 72 GLN H H 72 8.957 8.957 8.960 -0.003 19394 551 1 4 . 1 1 73 73 GLU N N 73 118.406 118.406 118.125 0.281 19394 552 1 4 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.088 -0.065 19394 553 1 4 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.394 -1.206 19394 554 1 4 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.357 -0.933 19394 555 1 4 . 1 1 73 73 GLU H H 73 8.230 8.230 8.147 0.083 19394 556 1 4 . 1 1 74 74 VAL N N 74 119.834 119.834 118.178 1.656 19394 557 1 4 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.828 -0.543 19394 558 1 4 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.608 -0.225 19394 559 1 4 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.743 -0.599 19394 560 1 4 . 1 1 74 74 VAL H H 74 7.736 7.736 7.682 0.054 19394 561 1 4 . 1 1 75 75 PHE N N 75 118.185 118.185 121.115 -2.930 19394 562 1 4 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.135 -0.481 19394 563 1 4 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.148 -0.916 19394 564 1 4 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.298 0.328 19394 565 1 4 . 1 1 75 75 PHE H H 75 8.224 8.224 8.649 -0.425 19394 566 1 4 . 1 1 76 76 LYS N N 76 113.494 113.494 117.443 -3.949 19394 567 1 4 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.112 -0.317 19394 568 1 4 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.561 -0.909 19394 569 1 4 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.678 0.298 19394 570 1 4 . 1 1 76 76 LYS H H 76 7.628 7.628 8.592 -0.964 19394 571 1 4 . 1 1 77 77 GLN N N 77 115.735 115.735 117.109 -1.374 19394 572 1 4 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.267 -0.069 19394 573 1 4 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.146 -1.679 19394 574 1 4 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.502 -0.831 19394 575 1 4 . 1 1 77 77 GLN H H 77 7.471 7.471 7.545 -0.074 19394 576 1 4 . 1 1 78 78 LEU N N 78 119.615 119.615 121.189 -1.574 19394 577 1 4 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.345 -0.043 19394 578 1 4 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.893 -0.960 19394 579 1 4 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.792 -1.619 19394 580 1 4 . 1 1 78 78 LEU H H 78 7.083 7.083 7.293 -0.210 19394 581 1 4 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.487 -0.019 19394 582 1 4 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.009 -0.504 19394 583 1 4 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.487 -0.531 19394 584 1 4 . 1 1 80 80 VAL N N 80 122.107 122.107 121.242 0.865 19394 585 1 4 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.747 -0.039 19394 586 1 4 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.233 -0.152 19394 587 1 4 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.555 -0.384 19394 588 1 4 . 1 1 80 80 VAL H H 80 8.659 8.659 8.567 0.092 19394 589 1 4 . 1 1 81 81 ASP N N 81 117.312 117.312 118.495 -1.183 19394 590 1 4 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.538 -0.184 19394 591 1 4 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.500 -1.682 19394 592 1 4 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.308 -1.776 19394 593 1 4 . 1 1 81 81 ASP H H 81 8.691 8.691 8.618 0.073 19394 594 1 4 . 1 1 82 82 ILE N N 82 121.282 121.282 119.306 1.976 19394 595 1 4 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.907 -0.072 19394 596 1 4 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.003 1.131 19394 597 1 4 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.209 -0.587 19394 598 1 4 . 1 1 82 82 ILE H H 82 7.116 7.116 7.434 -0.318 19394 599 1 4 . 1 1 83 83 GLN N N 83 119.414 119.414 118.569 0.845 19394 600 1 4 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.627 -0.045 19394 601 1 4 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.134 0.179 19394 602 1 4 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.522 -1.214 19394 603 1 4 . 1 1 83 83 GLN H H 83 8.039 8.039 7.940 0.099 19394 604 1 4 . 1 1 84 84 GLU N N 84 115.831 115.831 118.141 -2.310 19394 605 1 4 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.215 -0.268 19394 606 1 4 . 1 1 84 84 GLU CA C 84 58.820 58.820 58.672 0.148 19394 607 1 4 . 1 1 84 84 GLU CB C 84 28.961 28.961 29.132 -0.171 19394 608 1 4 . 1 1 84 84 GLU H H 84 8.249 8.249 7.943 0.306 19394 609 1 4 . 1 1 85 85 GLU N N 85 121.288 121.288 121.340 -0.052 19394 610 1 4 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.135 -0.134 19394 611 1 4 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.072 -0.297 19394 612 1 4 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.808 -0.124 19394 613 1 4 . 1 1 85 85 GLU H H 85 7.589 7.589 7.525 0.064 19394 614 1 4 . 1 1 86 86 ILE N N 86 120.118 120.118 118.908 1.210 19394 615 1 4 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.971 -0.192 19394 616 1 4 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.649 -0.954 19394 617 1 4 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.419 -0.696 19394 618 1 4 . 1 1 86 86 ILE H H 86 8.152 8.152 7.710 0.442 19394 619 1 4 . 1 1 87 87 LEU N N 87 118.574 118.574 119.522 -0.948 19394 620 1 4 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.192 -0.119 19394 621 1 4 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.029 -0.529 19394 622 1 4 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.143 0.156 19394 623 1 4 . 1 1 87 87 LEU H H 87 8.266 8.266 7.612 0.654 19394 624 1 4 . 1 1 88 88 SER N N 88 112.968 112.968 112.701 0.267 19394 625 1 4 . 1 1 88 88 SER HA H 88 4.402 4.402 4.333 0.069 19394 626 1 4 . 1 1 88 88 SER CA C 88 59.317 59.317 59.971 -0.654 19394 627 1 4 . 1 1 88 88 SER CB C 88 63.412 63.412 63.876 -0.464 19394 628 1 4 . 1 1 88 88 SER H H 88 8.081 8.081 7.702 0.379 19394 629 1 4 . 1 1 89 89 GLY N N 89 110.018 110.018 109.886 0.132 19394 630 1 4 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.371 0.235 19394 631 1 4 . 1 1 89 89 GLY H H 89 8.005 8.005 7.733 0.272 19394 632 1 4 . 1 1 90 90 LYS N N 90 119.834 119.834 118.307 1.527 19394 633 1 4 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.661 -0.344 19394 634 1 4 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.424 1.535 19394 635 1 4 . 1 1 90 90 LYS CB C 90 32.554 32.554 34.224 -1.671 19394 636 1 4 . 1 1 90 90 LYS H H 90 8.008 8.008 7.381 0.627 19394 637 1 4 . 1 1 91 91 SER N N 91 115.231 115.231 113.303 1.928 19394 638 1 4 . 1 1 91 91 SER HA H 91 4.357 4.357 4.095 0.262 19394 639 1 4 . 1 1 91 91 SER CA C 91 58.171 58.171 59.337 -1.166 19394 640 1 4 . 1 1 91 91 SER CB C 91 63.087 63.087 61.895 1.192 19394 641 1 4 . 1 1 91 91 SER H H 91 8.179 8.179 8.697 -0.518 19394 642 1 4 . 1 1 92 92 ARG N N 92 122.647 122.647 120.004 2.643 19394 643 1 4 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.331 -0.056 19394 644 1 4 . 1 1 92 92 ARG CA C 92 55.985 55.985 54.952 1.034 19394 645 1 4 . 1 1 92 92 ARG H H 92 8.383 8.383 7.978 0.405 19394 646 1 4 . 1 1 93 93 GLU N N 93 120.781 120.781 119.490 1.291 19394 647 1 4 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.203 -0.148 19394 648 1 4 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.797 -0.203 19394 649 1 4 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.629 -0.181 19394 650 1 4 . 1 1 93 93 GLU H H 93 8.408 8.408 8.367 0.041 19394 651 1 4 . 1 1 94 94 LYS N N 94 120.821 120.821 120.646 0.175 19394 652 1 4 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.238 -0.040 19394 653 1 4 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.324 -1.289 19394 654 1 4 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.598 -0.426 19394 655 1 4 . 1 1 94 94 LYS H H 94 8.148 8.148 8.270 -0.122 19394 656 1 4 . 1 1 95 95 PHE N N 95 120.657 120.657 116.074 4.583 19394 657 1 4 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.824 -0.262 19394 658 1 4 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.477 1.864 19394 659 1 4 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.028 -1.184 19394 660 1 4 . 1 1 95 95 PHE H H 95 8.172 8.172 7.079 1.093 19394 661 1 4 . 1 1 96 96 GLN N N 96 121.865 121.865 121.159 0.706 19394 662 1 4 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.383 -0.100 19394 663 1 4 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.626 -0.196 19394 664 1 4 . 1 1 96 96 GLN CB C 96 28.936 28.936 28.745 0.191 19394 665 1 4 . 1 1 96 96 GLN H H 96 8.256 8.256 8.751 -0.495 19394 666 1 4 . 1 1 97 97 GLY N N 97 109.195 109.195 111.244 -2.049 19394 667 1 4 . 1 1 97 97 GLY H H 97 7.926 7.926 8.295 -0.369 19394 668 1 4 . 1 1 98 98 LYS N N 98 120.394 120.394 119.960 0.434 19394 669 1 4 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.505 -0.203 19394 670 1 4 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.656 -0.015 19394 671 1 4 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.445 0.003 19394 672 1 4 . 1 1 98 98 LYS H H 98 8.145 8.145 8.496 -0.351 19394 673 1 5 . 1 1 63 63 LEU N N 63 122.281 122.281 121.615 0.666 19394 674 1 5 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.683 -0.455 19394 675 1 5 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.495 0.698 19394 676 1 5 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.727 -0.303 19394 677 1 5 . 1 1 63 63 LEU H H 63 8.343 8.343 8.212 0.131 19394 678 1 5 . 1 1 64 64 CYS N N 64 118.360 118.360 117.691 0.669 19394 679 1 5 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.401 0.065 19394 680 1 5 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.547 -0.858 19394 681 1 5 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.398 -0.883 19394 682 1 5 . 1 1 64 64 CYS H H 64 8.245 8.245 8.057 0.188 19394 683 1 5 . 1 1 65 65 SER N N 65 117.570 117.570 118.067 -0.497 19394 684 1 5 . 1 1 65 65 SER HA H 65 4.464 4.464 4.640 -0.176 19394 685 1 5 . 1 1 65 65 SER CA C 65 57.666 57.666 57.989 -0.323 19394 686 1 5 . 1 1 65 65 SER CB C 65 63.162 63.162 63.153 0.009 19394 687 1 5 . 1 1 65 65 SER H H 65 8.163 8.163 8.223 -0.060 19394 688 1 5 . 1 1 66 66 LEU N N 66 123.618 123.618 125.850 -2.232 19394 689 1 5 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.590 -0.322 19394 690 1 5 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.979 0.181 19394 691 1 5 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.118 -0.815 19394 692 1 5 . 1 1 66 66 LEU H H 66 7.932 7.932 8.280 -0.348 19394 693 1 5 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.568 -0.245 19394 694 1 5 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.173 -0.182 19394 695 1 5 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.324 -0.950 19394 696 1 5 . 1 1 68 68 GLU N N 68 121.685 121.685 117.981 3.704 19394 697 1 5 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.993 0.006 19394 698 1 5 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.950 0.184 19394 699 1 5 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.238 -0.082 19394 700 1 5 . 1 1 68 68 GLU H H 68 8.491 8.491 8.438 0.053 19394 701 1 5 . 1 1 69 69 GLY N N 69 111.116 111.116 110.821 0.295 19394 702 1 5 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.703 -1.101 19394 703 1 5 . 1 1 69 69 GLY H H 69 8.648 8.648 8.686 -0.038 19394 704 1 5 . 1 1 70 70 VAL N N 70 118.359 118.359 119.622 -1.263 19394 705 1 5 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.101 -0.201 19394 706 1 5 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.381 -0.885 19394 707 1 5 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.068 -0.871 19394 708 1 5 . 1 1 70 70 VAL H H 70 7.226 7.226 7.383 -0.157 19394 709 1 5 . 1 1 71 71 ASP N N 71 127.269 127.269 127.598 -0.329 19394 710 1 5 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.775 -0.258 19394 711 1 5 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.999 0.327 19394 712 1 5 . 1 1 71 71 ASP CB C 71 41.541 41.541 42.030 -0.489 19394 713 1 5 . 1 1 71 71 ASP H H 71 8.683 8.683 8.427 0.256 19394 714 1 5 . 1 1 72 72 GLN N N 72 127.038 127.038 125.586 1.452 19394 715 1 5 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.937 -0.119 19394 716 1 5 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.370 -0.697 19394 717 1 5 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.864 -0.920 19394 718 1 5 . 1 1 72 72 GLN H H 72 8.957 8.957 8.987 -0.030 19394 719 1 5 . 1 1 73 73 GLU N N 73 118.406 118.406 118.695 -0.289 19394 720 1 5 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.067 -0.044 19394 721 1 5 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.251 -1.063 19394 722 1 5 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.411 -0.987 19394 723 1 5 . 1 1 73 73 GLU H H 73 8.230 8.230 8.142 0.088 19394 724 1 5 . 1 1 74 74 VAL N N 74 119.834 119.834 118.420 1.414 19394 725 1 5 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.838 -0.553 19394 726 1 5 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.775 -0.392 19394 727 1 5 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.703 -0.559 19394 728 1 5 . 1 1 74 74 VAL H H 74 7.736 7.736 8.084 -0.348 19394 729 1 5 . 1 1 75 75 PHE N N 75 118.185 118.185 121.194 -3.009 19394 730 1 5 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.135 -0.481 19394 731 1 5 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.164 -0.932 19394 732 1 5 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.306 0.320 19394 733 1 5 . 1 1 75 75 PHE H H 75 8.224 8.224 8.569 -0.345 19394 734 1 5 . 1 1 76 76 LYS N N 76 113.494 113.494 117.334 -3.840 19394 735 1 5 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.114 -0.319 19394 736 1 5 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.567 -0.915 19394 737 1 5 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.652 0.324 19394 738 1 5 . 1 1 76 76 LYS H H 76 7.628 7.628 8.596 -0.968 19394 739 1 5 . 1 1 77 77 GLN N N 77 115.735 115.735 117.654 -1.919 19394 740 1 5 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.270 -0.072 19394 741 1 5 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.347 -1.880 19394 742 1 5 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.568 -0.897 19394 743 1 5 . 1 1 77 77 GLN H H 77 7.471 7.471 7.460 0.011 19394 744 1 5 . 1 1 78 78 LEU N N 78 119.615 119.615 121.260 -1.645 19394 745 1 5 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.328 -0.026 19394 746 1 5 . 1 1 78 78 LEU CA C 78 51.933 51.933 53.026 -1.093 19394 747 1 5 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.759 -1.586 19394 748 1 5 . 1 1 78 78 LEU H H 78 7.083 7.083 7.329 -0.246 19394 749 1 5 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.474 -0.006 19394 750 1 5 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.081 -0.576 19394 751 1 5 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.572 -0.616 19394 752 1 5 . 1 1 80 80 VAL N N 80 122.107 122.107 121.369 0.738 19394 753 1 5 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.734 -0.026 19394 754 1 5 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.447 -0.366 19394 755 1 5 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.855 -0.684 19394 756 1 5 . 1 1 80 80 VAL H H 80 8.659 8.659 8.499 0.160 19394 757 1 5 . 1 1 81 81 ASP N N 81 117.312 117.312 118.937 -1.625 19394 758 1 5 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.406 -0.052 19394 759 1 5 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.663 -1.845 19394 760 1 5 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.028 -1.496 19394 761 1 5 . 1 1 81 81 ASP H H 81 8.691 8.691 8.760 -0.069 19394 762 1 5 . 1 1 82 82 ILE N N 82 121.282 121.282 119.488 1.794 19394 763 1 5 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.815 0.020 19394 764 1 5 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.807 1.327 19394 765 1 5 . 1 1 82 82 ILE CB C 82 36.622 36.622 36.904 -0.281 19394 766 1 5 . 1 1 82 82 ILE H H 82 7.116 7.116 7.361 -0.245 19394 767 1 5 . 1 1 83 83 GLN N N 83 119.414 119.414 119.919 -0.505 19394 768 1 5 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.594 -0.012 19394 769 1 5 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.638 -0.325 19394 770 1 5 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.638 -1.330 19394 771 1 5 . 1 1 83 83 GLN H H 83 8.039 8.039 7.879 0.160 19394 772 1 5 . 1 1 84 84 GLU N N 84 115.831 115.831 119.166 -3.335 19394 773 1 5 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.020 -0.073 19394 774 1 5 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.483 -0.663 19394 775 1 5 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.666 0.295 19394 776 1 5 . 1 1 84 84 GLU H H 84 8.249 8.249 8.450 -0.201 19394 777 1 5 . 1 1 85 85 GLU N N 85 121.288 121.288 120.050 1.238 19394 778 1 5 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.100 -0.099 19394 779 1 5 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.899 -0.124 19394 780 1 5 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.786 -0.102 19394 781 1 5 . 1 1 85 85 GLU H H 85 7.589 7.589 7.545 0.044 19394 782 1 5 . 1 1 86 86 ILE N N 86 120.118 120.118 118.979 1.139 19394 783 1 5 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.907 -0.128 19394 784 1 5 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.388 -0.693 19394 785 1 5 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.278 -0.555 19394 786 1 5 . 1 1 86 86 ILE H H 86 8.152 8.152 7.870 0.282 19394 787 1 5 . 1 1 87 87 LEU N N 87 118.574 118.574 120.084 -1.510 19394 788 1 5 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.197 -0.124 19394 789 1 5 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.400 -0.900 19394 790 1 5 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.151 0.148 19394 791 1 5 . 1 1 87 87 LEU H H 87 8.266 8.266 8.243 0.023 19394 792 1 5 . 1 1 88 88 SER N N 88 112.968 112.968 111.199 1.769 19394 793 1 5 . 1 1 88 88 SER HA H 88 4.402 4.402 4.369 0.033 19394 794 1 5 . 1 1 88 88 SER CA C 88 59.317 59.317 59.989 -0.672 19394 795 1 5 . 1 1 88 88 SER CB C 88 63.412 63.412 63.944 -0.532 19394 796 1 5 . 1 1 88 88 SER H H 88 8.081 8.081 7.727 0.354 19394 797 1 5 . 1 1 89 89 GLY N N 89 110.018 110.018 108.944 1.074 19394 798 1 5 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.040 0.567 19394 799 1 5 . 1 1 89 89 GLY H H 89 8.005 8.005 7.802 0.203 19394 800 1 5 . 1 1 90 90 LYS N N 90 119.834 119.834 120.824 -0.990 19394 801 1 5 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.326 -0.009 19394 802 1 5 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.897 0.062 19394 803 1 5 . 1 1 90 90 LYS CB C 90 32.554 32.554 32.632 -0.078 19394 804 1 5 . 1 1 90 90 LYS H H 90 8.008 8.008 7.628 0.380 19394 805 1 5 . 1 1 91 91 SER N N 91 115.231 115.231 112.564 2.667 19394 806 1 5 . 1 1 91 91 SER HA H 91 4.357 4.357 4.170 0.187 19394 807 1 5 . 1 1 91 91 SER CA C 91 58.171 58.171 59.120 -0.949 19394 808 1 5 . 1 1 91 91 SER CB C 91 63.087 63.087 62.205 0.882 19394 809 1 5 . 1 1 91 91 SER H H 91 8.179 8.179 8.562 -0.383 19394 810 1 5 . 1 1 92 92 ARG N N 92 122.647 122.647 120.236 2.411 19394 811 1 5 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.334 -0.059 19394 812 1 5 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.476 0.509 19394 813 1 5 . 1 1 92 92 ARG H H 92 8.383 8.383 7.935 0.448 19394 814 1 5 . 1 1 93 93 GLU N N 93 120.781 120.781 122.438 -1.657 19394 815 1 5 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.141 -0.086 19394 816 1 5 . 1 1 93 93 GLU CA C 93 56.594 56.594 57.514 -0.920 19394 817 1 5 . 1 1 93 93 GLU CB C 93 29.448 29.448 30.178 -0.730 19394 818 1 5 . 1 1 93 93 GLU H H 93 8.408 8.408 8.440 -0.032 19394 819 1 5 . 1 1 94 94 LYS N N 94 120.821 120.821 120.951 -0.130 19394 820 1 5 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.086 0.112 19394 821 1 5 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.764 -1.729 19394 822 1 5 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.218 -0.046 19394 823 1 5 . 1 1 94 94 LYS H H 94 8.148 8.148 7.902 0.246 19394 824 1 5 . 1 1 95 95 PHE N N 95 120.657 120.657 113.881 6.776 19394 825 1 5 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.779 -0.217 19394 826 1 5 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.997 1.344 19394 827 1 5 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.477 -1.633 19394 828 1 5 . 1 1 95 95 PHE H H 95 8.172 8.172 6.836 1.336 19394 829 1 5 . 1 1 96 96 GLN N N 96 121.865 121.865 119.330 2.535 19394 830 1 5 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.550 -0.267 19394 831 1 5 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.667 0.763 19394 832 1 5 . 1 1 96 96 GLN CB C 96 28.936 28.936 30.334 -1.398 19394 833 1 5 . 1 1 96 96 GLN H H 96 8.256 8.256 8.566 -0.310 19394 834 1 5 . 1 1 97 97 GLY N N 97 109.195 109.195 110.303 -1.108 19394 835 1 5 . 1 1 97 97 GLY H H 97 7.926 7.926 8.686 -0.760 19394 836 1 5 . 1 1 98 98 LYS N N 98 120.394 120.394 126.673 -6.279 19394 837 1 5 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.602 -0.300 19394 838 1 5 . 1 1 98 98 LYS CA C 98 55.640 55.640 54.852 0.788 19394 839 1 5 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.478 0.970 19394 840 1 5 . 1 1 98 98 LYS H H 98 8.145 8.145 8.659 -0.514 19394 841 1 6 . 1 1 63 63 LEU N N 63 122.281 122.281 119.533 2.748 19394 842 1 6 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.506 -0.278 19394 843 1 6 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.467 0.726 19394 844 1 6 . 1 1 63 63 LEU CB C 63 41.424 41.424 40.252 1.172 19394 845 1 6 . 1 1 63 63 LEU H H 63 8.343 8.343 8.423 -0.080 19394 846 1 6 . 1 1 64 64 CYS N N 64 118.360 118.360 118.090 0.270 19394 847 1 6 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.345 0.121 19394 848 1 6 . 1 1 64 64 CYS CA C 64 57.689 57.689 59.461 -1.772 19394 849 1 6 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.171 -1.656 19394 850 1 6 . 1 1 64 64 CYS H H 64 8.245 8.245 7.755 0.490 19394 851 1 6 . 1 1 65 65 SER N N 65 117.570 117.570 116.697 0.873 19394 852 1 6 . 1 1 65 65 SER HA H 65 4.464 4.464 4.658 -0.194 19394 853 1 6 . 1 1 65 65 SER CA C 65 57.666 57.666 57.561 0.105 19394 854 1 6 . 1 1 65 65 SER CB C 65 63.162 63.162 63.012 0.150 19394 855 1 6 . 1 1 65 65 SER H H 65 8.163 8.163 8.179 -0.016 19394 856 1 6 . 1 1 66 66 LEU N N 66 123.618 123.618 125.853 -2.235 19394 857 1 6 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.627 -0.359 19394 858 1 6 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.015 0.145 19394 859 1 6 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.354 -1.051 19394 860 1 6 . 1 1 66 66 LEU H H 66 7.932 7.932 8.207 -0.275 19394 861 1 6 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.566 -0.243 19394 862 1 6 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.178 -0.187 19394 863 1 6 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.322 -0.948 19394 864 1 6 . 1 1 68 68 GLU N N 68 121.685 121.685 118.220 3.465 19394 865 1 6 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.017 -0.018 19394 866 1 6 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.997 0.137 19394 867 1 6 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.103 0.053 19394 868 1 6 . 1 1 68 68 GLU H H 68 8.491 8.491 8.409 0.082 19394 869 1 6 . 1 1 69 69 GLY N N 69 111.116 111.116 111.262 -0.146 19394 870 1 6 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.672 -1.070 19394 871 1 6 . 1 1 69 69 GLY H H 69 8.648 8.648 8.766 -0.118 19394 872 1 6 . 1 1 70 70 VAL N N 70 118.359 118.359 118.867 -0.508 19394 873 1 6 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.065 -0.165 19394 874 1 6 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.836 -1.340 19394 875 1 6 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.357 -1.160 19394 876 1 6 . 1 1 70 70 VAL H H 70 7.226 7.226 7.289 -0.063 19394 877 1 6 . 1 1 71 71 ASP N N 71 127.269 127.269 127.700 -0.431 19394 878 1 6 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.797 -0.280 19394 879 1 6 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.683 0.643 19394 880 1 6 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.572 -0.031 19394 881 1 6 . 1 1 71 71 ASP H H 71 8.683 8.683 8.460 0.223 19394 882 1 6 . 1 1 72 72 GLN N N 72 127.038 127.038 125.736 1.302 19394 883 1 6 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.954 -0.136 19394 884 1 6 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.021 -0.348 19394 885 1 6 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.812 -0.868 19394 886 1 6 . 1 1 72 72 GLN H H 72 8.957 8.957 8.941 0.016 19394 887 1 6 . 1 1 73 73 GLU N N 73 118.406 118.406 118.262 0.144 19394 888 1 6 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.053 -0.030 19394 889 1 6 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.368 -1.180 19394 890 1 6 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.406 -0.982 19394 891 1 6 . 1 1 73 73 GLU H H 73 8.230 8.230 8.097 0.133 19394 892 1 6 . 1 1 74 74 VAL N N 74 119.834 119.834 118.298 1.536 19394 893 1 6 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.887 -0.602 19394 894 1 6 . 1 1 74 74 VAL CA C 74 65.383 65.383 63.753 1.630 19394 895 1 6 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.369 -0.225 19394 896 1 6 . 1 1 74 74 VAL H H 74 7.736 7.736 7.593 0.143 19394 897 1 6 . 1 1 75 75 PHE N N 75 118.185 118.185 121.423 -3.238 19394 898 1 6 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.093 -0.439 19394 899 1 6 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.267 -1.035 19394 900 1 6 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.347 0.279 19394 901 1 6 . 1 1 75 75 PHE H H 75 8.224 8.224 8.614 -0.390 19394 902 1 6 . 1 1 76 76 LYS N N 76 113.494 113.494 117.462 -3.968 19394 903 1 6 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.134 -0.339 19394 904 1 6 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.507 -0.855 19394 905 1 6 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.675 0.301 19394 906 1 6 . 1 1 76 76 LYS H H 76 7.628 7.628 8.509 -0.881 19394 907 1 6 . 1 1 77 77 GLN N N 77 115.735 115.735 117.169 -1.434 19394 908 1 6 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.272 -0.074 19394 909 1 6 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.184 -1.717 19394 910 1 6 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.488 -0.817 19394 911 1 6 . 1 1 77 77 GLN H H 77 7.471 7.471 7.568 -0.097 19394 912 1 6 . 1 1 78 78 LEU N N 78 119.615 119.615 121.126 -1.511 19394 913 1 6 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.356 -0.054 19394 914 1 6 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.883 -0.950 19394 915 1 6 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.787 -1.614 19394 916 1 6 . 1 1 78 78 LEU H H 78 7.083 7.083 7.293 -0.210 19394 917 1 6 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.541 -0.073 19394 918 1 6 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.195 -0.690 19394 919 1 6 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.634 -0.678 19394 920 1 6 . 1 1 80 80 VAL N N 80 122.107 122.107 120.618 1.489 19394 921 1 6 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.677 0.031 19394 922 1 6 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.559 -0.478 19394 923 1 6 . 1 1 80 80 VAL CB C 80 31.171 31.171 32.015 -0.844 19394 924 1 6 . 1 1 80 80 VAL H H 80 8.659 8.659 8.512 0.147 19394 925 1 6 . 1 1 81 81 ASP N N 81 117.312 117.312 118.461 -1.149 19394 926 1 6 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.560 -0.206 19394 927 1 6 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.562 -1.744 19394 928 1 6 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.214 -1.682 19394 929 1 6 . 1 1 81 81 ASP H H 81 8.691 8.691 8.704 -0.013 19394 930 1 6 . 1 1 82 82 ILE N N 82 121.282 121.282 119.099 2.183 19394 931 1 6 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.918 -0.083 19394 932 1 6 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.989 1.145 19394 933 1 6 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.192 -0.570 19394 934 1 6 . 1 1 82 82 ILE H H 82 7.116 7.116 7.359 -0.243 19394 935 1 6 . 1 1 83 83 GLN N N 83 119.414 119.414 118.932 0.482 19394 936 1 6 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.724 -0.142 19394 937 1 6 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.238 0.075 19394 938 1 6 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.588 -1.280 19394 939 1 6 . 1 1 83 83 GLN H H 83 8.039 8.039 7.974 0.065 19394 940 1 6 . 1 1 84 84 GLU N N 84 115.831 115.831 118.240 -2.409 19394 941 1 6 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.191 -0.244 19394 942 1 6 . 1 1 84 84 GLU CA C 84 58.820 58.820 58.887 -0.067 19394 943 1 6 . 1 1 84 84 GLU CB C 84 28.961 28.961 29.059 -0.098 19394 944 1 6 . 1 1 84 84 GLU H H 84 8.249 8.249 8.185 0.064 19394 945 1 6 . 1 1 85 85 GLU N N 85 121.288 121.288 121.026 0.262 19394 946 1 6 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.136 -0.135 19394 947 1 6 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.904 -0.128 19394 948 1 6 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.919 -0.235 19394 949 1 6 . 1 1 85 85 GLU H H 85 7.589 7.589 7.486 0.103 19394 950 1 6 . 1 1 86 86 ILE N N 86 120.118 120.118 118.658 1.460 19394 951 1 6 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.931 -0.152 19394 952 1 6 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.325 -0.630 19394 953 1 6 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.316 -0.593 19394 954 1 6 . 1 1 86 86 ILE H H 86 8.152 8.152 7.835 0.317 19394 955 1 6 . 1 1 87 87 LEU N N 87 118.574 118.574 120.108 -1.534 19394 956 1 6 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.228 -0.155 19394 957 1 6 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.384 -0.884 19394 958 1 6 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.359 -0.060 19394 959 1 6 . 1 1 87 87 LEU H H 87 8.266 8.266 7.686 0.580 19394 960 1 6 . 1 1 88 88 SER N N 88 112.968 112.968 112.184 0.784 19394 961 1 6 . 1 1 88 88 SER HA H 88 4.402 4.402 4.335 0.067 19394 962 1 6 . 1 1 88 88 SER CA C 88 59.317 59.317 59.804 -0.487 19394 963 1 6 . 1 1 88 88 SER CB C 88 63.412 63.412 63.770 -0.358 19394 964 1 6 . 1 1 88 88 SER H H 88 8.081 8.081 7.838 0.243 19394 965 1 6 . 1 1 89 89 GLY N N 89 110.018 110.018 108.836 1.182 19394 966 1 6 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.320 0.287 19394 967 1 6 . 1 1 89 89 GLY H H 89 8.005 8.005 7.817 0.188 19394 968 1 6 . 1 1 90 90 LYS N N 90 119.834 119.834 120.128 -0.294 19394 969 1 6 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.346 -0.029 19394 970 1 6 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.577 0.382 19394 971 1 6 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.118 -0.564 19394 972 1 6 . 1 1 90 90 LYS H H 90 8.008 8.008 7.513 0.495 19394 973 1 6 . 1 1 91 91 SER N N 91 115.231 115.231 112.962 2.269 19394 974 1 6 . 1 1 91 91 SER HA H 91 4.357 4.357 4.209 0.148 19394 975 1 6 . 1 1 91 91 SER CA C 91 58.171 58.171 58.673 -0.502 19394 976 1 6 . 1 1 91 91 SER CB C 91 63.087 63.087 62.545 0.542 19394 977 1 6 . 1 1 91 91 SER H H 91 8.179 8.179 8.650 -0.471 19394 978 1 6 . 1 1 92 92 ARG N N 92 122.647 122.647 122.188 0.459 19394 979 1 6 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.297 -0.022 19394 980 1 6 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.465 0.520 19394 981 1 6 . 1 1 92 92 ARG H H 92 8.383 8.383 8.025 0.358 19394 982 1 6 . 1 1 93 93 GLU N N 93 120.781 120.781 121.881 -1.100 19394 983 1 6 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.199 -0.144 19394 984 1 6 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.730 -0.135 19394 985 1 6 . 1 1 93 93 GLU CB C 93 29.448 29.448 30.404 -0.956 19394 986 1 6 . 1 1 93 93 GLU H H 93 8.408 8.408 8.279 0.129 19394 987 1 6 . 1 1 94 94 LYS N N 94 120.821 120.821 120.370 0.451 19394 988 1 6 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.115 0.083 19394 989 1 6 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.668 -1.633 19394 990 1 6 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.621 -0.449 19394 991 1 6 . 1 1 94 94 LYS H H 94 8.148 8.148 8.302 -0.154 19394 992 1 6 . 1 1 95 95 PHE N N 95 120.657 120.657 114.506 6.151 19394 993 1 6 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.829 -0.267 19394 994 1 6 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.292 1.048 19394 995 1 6 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.110 -1.266 19394 996 1 6 . 1 1 95 95 PHE H H 95 8.172 8.172 6.982 1.190 19394 997 1 6 . 1 1 96 96 GLN N N 96 121.865 121.865 119.071 2.794 19394 998 1 6 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.596 -0.313 19394 999 1 6 . 1 1 96 96 GLN CA C 96 55.430 55.430 53.998 1.432 19394 1000 1 6 . 1 1 96 96 GLN CB C 96 28.936 28.936 31.139 -2.203 19394 1001 1 6 . 1 1 96 96 GLN H H 96 8.256 8.256 8.468 -0.212 19394 1002 1 6 . 1 1 97 97 GLY N N 97 109.195 109.195 108.761 0.434 19394 1003 1 6 . 1 1 97 97 GLY H H 97 7.926 7.926 8.569 -0.643 19394 1004 1 6 . 1 1 98 98 LYS N N 98 120.394 120.394 125.062 -4.668 19394 1005 1 6 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.079 0.223 19394 1006 1 6 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.594 -0.954 19394 1007 1 6 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.509 -0.061 19394 1008 1 6 . 1 1 98 98 LYS H H 98 8.145 8.145 8.419 -0.274 19394 1009 1 7 . 1 1 63 63 LEU N N 63 122.281 122.281 122.771 -0.490 19394 1010 1 7 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.187 0.041 19394 1011 1 7 . 1 1 63 63 LEU CA C 63 55.193 55.193 55.721 -0.528 19394 1012 1 7 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.126 0.298 19394 1013 1 7 . 1 1 63 63 LEU H H 63 8.343 8.343 8.263 0.080 19394 1014 1 7 . 1 1 64 64 CYS N N 64 118.360 118.360 120.131 -1.771 19394 1015 1 7 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.616 -0.150 19394 1016 1 7 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.457 -0.768 19394 1017 1 7 . 1 1 64 64 CYS CB C 64 27.515 27.515 30.064 -2.549 19394 1018 1 7 . 1 1 64 64 CYS H H 64 8.245 8.245 8.334 -0.088 19394 1019 1 7 . 1 1 65 65 SER N N 65 117.570 117.570 117.286 0.284 19394 1020 1 7 . 1 1 65 65 SER HA H 65 4.464 4.464 4.653 -0.189 19394 1021 1 7 . 1 1 65 65 SER CA C 65 57.666 57.666 57.941 -0.275 19394 1022 1 7 . 1 1 65 65 SER CB C 65 63.162 63.162 63.669 -0.507 19394 1023 1 7 . 1 1 65 65 SER H H 65 8.163 8.163 8.269 -0.106 19394 1024 1 7 . 1 1 66 66 LEU N N 66 123.618 123.618 125.728 -2.110 19394 1025 1 7 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.725 -0.457 19394 1026 1 7 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.832 0.328 19394 1027 1 7 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.653 -1.350 19394 1028 1 7 . 1 1 66 66 LEU H H 66 7.932 7.932 8.450 -0.518 19394 1029 1 7 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.591 -0.268 19394 1030 1 7 . 1 1 67 67 PRO CA C 67 61.991 61.991 61.989 0.002 19394 1031 1 7 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.397 -1.023 19394 1032 1 7 . 1 1 68 68 GLU N N 68 121.685 121.685 118.437 3.248 19394 1033 1 7 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.951 0.048 19394 1034 1 7 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.698 0.436 19394 1035 1 7 . 1 1 68 68 GLU CB C 68 29.156 29.156 28.990 0.166 19394 1036 1 7 . 1 1 68 68 GLU H H 68 8.491 8.491 8.216 0.275 19394 1037 1 7 . 1 1 69 69 GLY N N 69 111.116 111.116 110.421 0.695 19394 1038 1 7 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.690 -1.088 19394 1039 1 7 . 1 1 69 69 GLY H H 69 8.648 8.648 8.630 0.018 19394 1040 1 7 . 1 1 70 70 VAL N N 70 118.359 118.359 118.016 0.343 19394 1041 1 7 . 1 1 70 70 VAL HA H 70 3.900 3.900 3.955 -0.055 19394 1042 1 7 . 1 1 70 70 VAL CA C 70 61.496 61.496 63.002 -1.506 19394 1043 1 7 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.251 -1.054 19394 1044 1 7 . 1 1 70 70 VAL H H 70 7.226 7.226 7.132 0.094 19394 1045 1 7 . 1 1 71 71 ASP N N 71 127.269 127.269 127.049 0.220 19394 1046 1 7 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.754 -0.237 19394 1047 1 7 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.118 0.208 19394 1048 1 7 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.795 -0.255 19394 1049 1 7 . 1 1 71 71 ASP H H 71 8.683 8.683 8.422 0.261 19394 1050 1 7 . 1 1 72 72 GLN N N 72 127.038 127.038 125.570 1.468 19394 1051 1 7 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.920 -0.102 19394 1052 1 7 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.582 -0.909 19394 1053 1 7 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.858 -0.913 19394 1054 1 7 . 1 1 72 72 GLN H H 72 8.957 8.957 8.979 -0.022 19394 1055 1 7 . 1 1 73 73 GLU N N 73 118.406 118.406 118.618 -0.212 19394 1056 1 7 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.052 -0.029 19394 1057 1 7 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.222 -1.034 19394 1058 1 7 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.448 -1.024 19394 1059 1 7 . 1 1 73 73 GLU H H 73 8.230 8.230 8.149 0.081 19394 1060 1 7 . 1 1 74 74 VAL N N 74 119.834 119.834 118.740 1.094 19394 1061 1 7 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.794 -0.509 19394 1062 1 7 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.947 -0.564 19394 1063 1 7 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.954 -0.810 19394 1064 1 7 . 1 1 74 74 VAL H H 74 7.736 7.736 8.313 -0.577 19394 1065 1 7 . 1 1 75 75 PHE N N 75 118.185 118.185 120.698 -2.513 19394 1066 1 7 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.114 -0.460 19394 1067 1 7 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.070 -0.838 19394 1068 1 7 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.398 0.228 19394 1069 1 7 . 1 1 75 75 PHE H H 75 8.224 8.224 8.465 -0.241 19394 1070 1 7 . 1 1 76 76 LYS N N 76 113.494 113.494 117.476 -3.982 19394 1071 1 7 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.134 -0.339 19394 1072 1 7 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.557 -0.905 19394 1073 1 7 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.650 0.326 19394 1074 1 7 . 1 1 76 76 LYS H H 76 7.628 7.628 8.562 -0.934 19394 1075 1 7 . 1 1 77 77 GLN N N 77 115.735 115.735 117.149 -1.414 19394 1076 1 7 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.270 -0.072 19394 1077 1 7 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.166 -1.699 19394 1078 1 7 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.485 -0.814 19394 1079 1 7 . 1 1 77 77 GLN H H 77 7.471 7.471 7.556 -0.084 19394 1080 1 7 . 1 1 78 78 LEU N N 78 119.615 119.615 121.185 -1.570 19394 1081 1 7 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.394 -0.092 19394 1082 1 7 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.754 -0.821 19394 1083 1 7 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.843 -1.670 19394 1084 1 7 . 1 1 78 78 LEU H H 78 7.083 7.083 7.343 -0.260 19394 1085 1 7 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.498 -0.030 19394 1086 1 7 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.108 -0.603 19394 1087 1 7 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.560 -0.604 19394 1088 1 7 . 1 1 80 80 VAL N N 80 122.107 122.107 121.037 1.070 19394 1089 1 7 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.718 -0.010 19394 1090 1 7 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.475 -0.395 19394 1091 1 7 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.895 -0.724 19394 1092 1 7 . 1 1 80 80 VAL H H 80 8.659 8.659 8.523 0.136 19394 1093 1 7 . 1 1 81 81 ASP N N 81 117.312 117.312 118.905 -1.593 19394 1094 1 7 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.393 -0.039 19394 1095 1 7 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.647 -1.829 19394 1096 1 7 . 1 1 81 81 ASP CB C 81 38.532 38.532 39.880 -1.348 19394 1097 1 7 . 1 1 81 81 ASP H H 81 8.691 8.691 8.801 -0.110 19394 1098 1 7 . 1 1 82 82 ILE N N 82 121.282 121.282 119.478 1.804 19394 1099 1 7 . 1 1 82 82 ILE HA H 82 3.835 3.835 4.010 -0.175 19394 1100 1 7 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.671 1.463 19394 1101 1 7 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.152 -0.530 19394 1102 1 7 . 1 1 82 82 ILE H H 82 7.116 7.116 7.357 -0.241 19394 1103 1 7 . 1 1 83 83 GLN N N 83 119.414 119.414 119.962 -0.548 19394 1104 1 7 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.703 -0.121 19394 1105 1 7 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.766 -0.453 19394 1106 1 7 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.743 -1.435 19394 1107 1 7 . 1 1 83 83 GLN H H 83 8.039 8.039 7.907 0.132 19394 1108 1 7 . 1 1 84 84 GLU N N 84 115.831 115.831 119.036 -3.205 19394 1109 1 7 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.073 -0.126 19394 1110 1 7 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.397 -0.577 19394 1111 1 7 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.822 0.139 19394 1112 1 7 . 1 1 84 84 GLU H H 84 8.249 8.249 8.528 -0.279 19394 1113 1 7 . 1 1 85 85 GLU N N 85 121.288 121.288 120.153 1.135 19394 1114 1 7 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.100 -0.099 19394 1115 1 7 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.989 -0.214 19394 1116 1 7 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.739 -0.055 19394 1117 1 7 . 1 1 85 85 GLU H H 85 7.589 7.589 7.577 0.012 19394 1118 1 7 . 1 1 86 86 ILE N N 86 120.118 120.118 118.977 1.141 19394 1119 1 7 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.913 -0.134 19394 1120 1 7 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.575 -0.880 19394 1121 1 7 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.345 -0.622 19394 1122 1 7 . 1 1 86 86 ILE H H 86 8.152 8.152 7.782 0.370 19394 1123 1 7 . 1 1 87 87 LEU N N 87 118.574 118.574 120.283 -1.709 19394 1124 1 7 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.391 -0.318 19394 1125 1 7 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.133 -0.633 19394 1126 1 7 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.154 0.145 19394 1127 1 7 . 1 1 87 87 LEU H H 87 8.266 8.266 8.347 -0.081 19394 1128 1 7 . 1 1 88 88 SER N N 88 112.968 112.968 112.195 0.773 19394 1129 1 7 . 1 1 88 88 SER HA H 88 4.402 4.402 4.362 0.040 19394 1130 1 7 . 1 1 88 88 SER CA C 88 59.317 59.317 60.126 -0.809 19394 1131 1 7 . 1 1 88 88 SER CB C 88 63.412 63.412 63.841 -0.429 19394 1132 1 7 . 1 1 88 88 SER H H 88 8.081 8.081 7.861 0.220 19394 1133 1 7 . 1 1 89 89 GLY N N 89 110.018 110.018 109.135 0.883 19394 1134 1 7 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.238 0.369 19394 1135 1 7 . 1 1 89 89 GLY H H 89 8.005 8.005 7.824 0.181 19394 1136 1 7 . 1 1 90 90 LYS N N 90 119.834 119.834 120.252 -0.418 19394 1137 1 7 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.355 -0.038 19394 1138 1 7 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.547 0.411 19394 1139 1 7 . 1 1 90 90 LYS CB C 90 32.554 32.554 32.935 -0.381 19394 1140 1 7 . 1 1 90 90 LYS H H 90 8.008 8.008 7.512 0.496 19394 1141 1 7 . 1 1 91 91 SER N N 91 115.231 115.231 111.855 3.376 19394 1142 1 7 . 1 1 91 91 SER HA H 91 4.357 4.357 4.144 0.213 19394 1143 1 7 . 1 1 91 91 SER CA C 91 58.171 58.171 59.101 -0.930 19394 1144 1 7 . 1 1 91 91 SER CB C 91 63.087 63.087 62.392 0.695 19394 1145 1 7 . 1 1 91 91 SER H H 91 8.179 8.179 8.360 -0.181 19394 1146 1 7 . 1 1 92 92 ARG N N 92 122.647 122.647 120.030 2.617 19394 1147 1 7 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.164 0.111 19394 1148 1 7 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.037 0.948 19394 1149 1 7 . 1 1 92 92 ARG H H 92 8.383 8.383 7.874 0.509 19394 1150 1 7 . 1 1 93 93 GLU N N 93 120.781 120.781 122.254 -1.473 19394 1151 1 7 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.091 -0.036 19394 1152 1 7 . 1 1 93 93 GLU CA C 93 56.594 56.594 57.634 -1.040 19394 1153 1 7 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.680 -0.232 19394 1154 1 7 . 1 1 93 93 GLU H H 93 8.408 8.408 8.345 0.063 19394 1155 1 7 . 1 1 94 94 LYS N N 94 120.821 120.821 119.520 1.301 19394 1156 1 7 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.060 0.138 19394 1157 1 7 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.963 -1.928 19394 1158 1 7 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.291 -0.119 19394 1159 1 7 . 1 1 94 94 LYS H H 94 8.148 8.148 8.442 -0.294 19394 1160 1 7 . 1 1 95 95 PHE N N 95 120.657 120.657 115.135 5.522 19394 1161 1 7 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.732 -0.170 19394 1162 1 7 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.011 2.330 19394 1163 1 7 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.220 -1.376 19394 1164 1 7 . 1 1 95 95 PHE H H 95 8.172 8.172 7.164 1.008 19394 1165 1 7 . 1 1 96 96 GLN N N 96 121.865 121.865 120.685 1.180 19394 1166 1 7 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.407 -0.124 19394 1167 1 7 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.178 0.252 19394 1168 1 7 . 1 1 96 96 GLN CB C 96 28.936 28.936 29.520 -0.584 19394 1169 1 7 . 1 1 96 96 GLN H H 96 8.256 8.256 8.576 -0.320 19394 1170 1 7 . 1 1 97 97 GLY N N 97 109.195 109.195 110.749 -1.554 19394 1171 1 7 . 1 1 97 97 GLY H H 97 7.926 7.926 8.652 -0.726 19394 1172 1 7 . 1 1 98 98 LYS N N 98 120.394 120.394 118.526 1.868 19394 1173 1 7 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.545 -0.243 19394 1174 1 7 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.837 -0.197 19394 1175 1 7 . 1 1 98 98 LYS CB C 98 32.448 32.448 33.823 -1.375 19394 1176 1 7 . 1 1 98 98 LYS H H 98 8.145 8.145 8.437 -0.292 19394 1177 1 8 . 1 1 63 63 LEU N N 63 122.281 122.281 123.705 -1.424 19394 1178 1 8 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.637 -0.409 19394 1179 1 8 . 1 1 63 63 LEU CA C 63 55.193 55.193 55.431 -0.238 19394 1180 1 8 . 1 1 63 63 LEU CB C 63 41.424 41.424 42.505 -1.081 19394 1181 1 8 . 1 1 63 63 LEU H H 63 8.343 8.343 8.486 -0.143 19394 1182 1 8 . 1 1 64 64 CYS N N 64 118.360 118.360 119.767 -1.407 19394 1183 1 8 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.579 -0.113 19394 1184 1 8 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.066 -0.376 19394 1185 1 8 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.338 -1.823 19394 1186 1 8 . 1 1 64 64 CYS H H 64 8.245 8.245 8.417 -0.172 19394 1187 1 8 . 1 1 65 65 SER N N 65 117.570 117.570 117.922 -0.352 19394 1188 1 8 . 1 1 65 65 SER HA H 65 4.464 4.464 4.625 -0.161 19394 1189 1 8 . 1 1 65 65 SER CA C 65 57.666 57.666 57.950 -0.284 19394 1190 1 8 . 1 1 65 65 SER CB C 65 63.162 63.162 63.968 -0.806 19394 1191 1 8 . 1 1 65 65 SER H H 65 8.163 8.163 8.123 0.040 19394 1192 1 8 . 1 1 66 66 LEU N N 66 123.618 123.618 125.251 -1.633 19394 1193 1 8 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.740 -0.472 19394 1194 1 8 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.683 0.477 19394 1195 1 8 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.273 -0.970 19394 1196 1 8 . 1 1 66 66 LEU H H 66 7.932 7.932 8.438 -0.506 19394 1197 1 8 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.503 -0.180 19394 1198 1 8 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.034 -0.043 19394 1199 1 8 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.067 -0.693 19394 1200 1 8 . 1 1 68 68 GLU N N 68 121.685 121.685 118.587 3.098 19394 1201 1 8 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.942 0.057 19394 1202 1 8 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.696 0.438 19394 1203 1 8 . 1 1 68 68 GLU CB C 68 29.156 29.156 28.968 0.188 19394 1204 1 8 . 1 1 68 68 GLU H H 68 8.491 8.491 8.256 0.235 19394 1205 1 8 . 1 1 69 69 GLY N N 69 111.116 111.116 110.202 0.914 19394 1206 1 8 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.706 -1.104 19394 1207 1 8 . 1 1 69 69 GLY H H 69 8.648 8.648 8.603 0.045 19394 1208 1 8 . 1 1 70 70 VAL N N 70 118.359 118.359 118.019 0.340 19394 1209 1 8 . 1 1 70 70 VAL HA H 70 3.900 3.900 3.992 -0.092 19394 1210 1 8 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.836 -1.340 19394 1211 1 8 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.352 -1.155 19394 1212 1 8 . 1 1 70 70 VAL H H 70 7.226 7.226 7.087 0.139 19394 1213 1 8 . 1 1 71 71 ASP N N 71 127.269 127.269 126.865 0.404 19394 1214 1 8 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.780 -0.263 19394 1215 1 8 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.699 0.627 19394 1216 1 8 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.510 0.031 19394 1217 1 8 . 1 1 71 71 ASP H H 71 8.683 8.683 8.415 0.268 19394 1218 1 8 . 1 1 72 72 GLN N N 72 127.038 127.038 125.786 1.252 19394 1219 1 8 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.922 -0.104 19394 1220 1 8 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.516 -0.843 19394 1221 1 8 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.916 -0.972 19394 1222 1 8 . 1 1 72 72 GLN H H 72 8.957 8.957 8.950 0.007 19394 1223 1 8 . 1 1 73 73 GLU N N 73 118.406 118.406 118.275 0.131 19394 1224 1 8 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.066 -0.043 19394 1225 1 8 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.211 -1.023 19394 1226 1 8 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.373 -0.949 19394 1227 1 8 . 1 1 73 73 GLU H H 73 8.230 8.230 8.106 0.124 19394 1228 1 8 . 1 1 74 74 VAL N N 74 119.834 119.834 118.396 1.438 19394 1229 1 8 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.835 -0.550 19394 1230 1 8 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.426 -0.043 19394 1231 1 8 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.650 -0.506 19394 1232 1 8 . 1 1 74 74 VAL H H 74 7.736 7.736 7.694 0.042 19394 1233 1 8 . 1 1 75 75 PHE N N 75 118.185 118.185 121.046 -2.861 19394 1234 1 8 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.115 -0.461 19394 1235 1 8 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.231 -0.999 19394 1236 1 8 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.261 0.365 19394 1237 1 8 . 1 1 75 75 PHE H H 75 8.224 8.224 8.601 -0.377 19394 1238 1 8 . 1 1 76 76 LYS N N 76 113.494 113.494 117.350 -3.856 19394 1239 1 8 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.143 -0.348 19394 1240 1 8 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.468 -0.816 19394 1241 1 8 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.649 0.327 19394 1242 1 8 . 1 1 76 76 LYS H H 76 7.628 7.628 8.403 -0.775 19394 1243 1 8 . 1 1 77 77 GLN N N 77 115.735 115.735 117.201 -1.466 19394 1244 1 8 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.271 -0.073 19394 1245 1 8 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.189 -1.722 19394 1246 1 8 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.466 -0.795 19394 1247 1 8 . 1 1 77 77 GLN H H 77 7.471 7.471 7.564 -0.093 19394 1248 1 8 . 1 1 78 78 LEU N N 78 119.615 119.615 121.127 -1.512 19394 1249 1 8 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.396 -0.094 19394 1250 1 8 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.778 -0.845 19394 1251 1 8 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.843 -1.670 19394 1252 1 8 . 1 1 78 78 LEU H H 78 7.083 7.083 7.311 -0.228 19394 1253 1 8 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.503 -0.035 19394 1254 1 8 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.052 -0.547 19394 1255 1 8 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.467 -0.511 19394 1256 1 8 . 1 1 80 80 VAL N N 80 122.107 122.107 122.251 -0.144 19394 1257 1 8 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.768 -0.060 19394 1258 1 8 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.222 -0.141 19394 1259 1 8 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.484 -0.313 19394 1260 1 8 . 1 1 80 80 VAL H H 80 8.659 8.659 8.552 0.107 19394 1261 1 8 . 1 1 81 81 ASP N N 81 117.312 117.312 119.357 -2.045 19394 1262 1 8 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.384 -0.030 19394 1263 1 8 . 1 1 81 81 ASP CA C 81 55.818 55.818 58.230 -2.412 19394 1264 1 8 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.439 -1.907 19394 1265 1 8 . 1 1 81 81 ASP H H 81 8.691 8.691 8.711 -0.020 19394 1266 1 8 . 1 1 82 82 ILE N N 82 121.282 121.282 118.374 2.908 19394 1267 1 8 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.782 0.053 19394 1268 1 8 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.464 0.670 19394 1269 1 8 . 1 1 82 82 ILE CB C 82 36.622 36.622 36.878 -0.256 19394 1270 1 8 . 1 1 82 82 ILE H H 82 7.116 7.116 7.354 -0.238 19394 1271 1 8 . 1 1 83 83 GLN N N 83 119.414 119.414 119.544 -0.130 19394 1272 1 8 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.789 -0.207 19394 1273 1 8 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.509 -0.196 19394 1274 1 8 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.724 -1.416 19394 1275 1 8 . 1 1 83 83 GLN H H 83 8.039 8.039 7.933 0.106 19394 1276 1 8 . 1 1 84 84 GLU N N 84 115.831 115.831 118.511 -2.680 19394 1277 1 8 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.087 -0.140 19394 1278 1 8 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.094 -0.275 19394 1279 1 8 . 1 1 84 84 GLU CB C 84 28.961 28.961 29.053 -0.092 19394 1280 1 8 . 1 1 84 84 GLU H H 84 8.249 8.249 8.624 -0.375 19394 1281 1 8 . 1 1 85 85 GLU N N 85 121.288 121.288 120.690 0.598 19394 1282 1 8 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.142 -0.141 19394 1283 1 8 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.097 -0.322 19394 1284 1 8 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.801 -0.117 19394 1285 1 8 . 1 1 85 85 GLU H H 85 7.589 7.589 7.337 0.252 19394 1286 1 8 . 1 1 86 86 ILE N N 86 120.118 120.118 119.182 0.936 19394 1287 1 8 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.886 -0.107 19394 1288 1 8 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.857 -1.162 19394 1289 1 8 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.011 -0.288 19394 1290 1 8 . 1 1 86 86 ILE H H 86 8.152 8.152 7.907 0.245 19394 1291 1 8 . 1 1 87 87 LEU N N 87 118.574 118.574 118.345 0.229 19394 1292 1 8 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.366 -0.293 19394 1293 1 8 . 1 1 87 87 LEU CA C 87 56.500 56.500 56.579 -0.079 19394 1294 1 8 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.425 -0.126 19394 1295 1 8 . 1 1 87 87 LEU H H 87 8.266 8.266 7.750 0.516 19394 1296 1 8 . 1 1 88 88 SER N N 88 112.968 112.968 113.880 -0.912 19394 1297 1 8 . 1 1 88 88 SER HA H 88 4.402 4.402 4.408 -0.006 19394 1298 1 8 . 1 1 88 88 SER CA C 88 59.317 59.317 59.465 -0.148 19394 1299 1 8 . 1 1 88 88 SER CB C 88 63.412 63.412 64.004 -0.592 19394 1300 1 8 . 1 1 88 88 SER H H 88 8.081 8.081 7.717 0.364 19394 1301 1 8 . 1 1 89 89 GLY N N 89 110.018 110.018 108.932 1.086 19394 1302 1 8 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.066 0.540 19394 1303 1 8 . 1 1 89 89 GLY H H 89 8.005 8.005 7.609 0.396 19394 1304 1 8 . 1 1 90 90 LYS N N 90 119.834 119.834 120.573 -0.739 19394 1305 1 8 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.683 -0.366 19394 1306 1 8 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.879 1.080 19394 1307 1 8 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.407 -0.853 19394 1308 1 8 . 1 1 90 90 LYS H H 90 8.008 8.008 7.527 0.481 19394 1309 1 8 . 1 1 91 91 SER N N 91 115.231 115.231 112.398 2.833 19394 1310 1 8 . 1 1 91 91 SER HA H 91 4.357 4.357 4.113 0.244 19394 1311 1 8 . 1 1 91 91 SER CA C 91 58.171 58.171 59.034 -0.863 19394 1312 1 8 . 1 1 91 91 SER CB C 91 63.087 63.087 62.123 0.964 19394 1313 1 8 . 1 1 91 91 SER H H 91 8.179 8.179 8.410 -0.231 19394 1314 1 8 . 1 1 92 92 ARG N N 92 122.647 122.647 120.111 2.536 19394 1315 1 8 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.279 -0.004 19394 1316 1 8 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.461 0.524 19394 1317 1 8 . 1 1 92 92 ARG H H 92 8.383 8.383 7.846 0.537 19394 1318 1 8 . 1 1 93 93 GLU N N 93 120.781 120.781 123.040 -2.259 19394 1319 1 8 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.173 -0.118 19394 1320 1 8 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.790 -0.196 19394 1321 1 8 . 1 1 93 93 GLU CB C 93 29.448 29.448 30.338 -0.890 19394 1322 1 8 . 1 1 93 93 GLU H H 93 8.408 8.408 8.466 -0.058 19394 1323 1 8 . 1 1 94 94 LYS N N 94 120.821 120.821 120.963 -0.142 19394 1324 1 8 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.107 0.091 19394 1325 1 8 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.613 -1.578 19394 1326 1 8 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.409 -0.237 19394 1327 1 8 . 1 1 94 94 LYS H H 94 8.148 8.148 8.158 -0.010 19394 1328 1 8 . 1 1 95 95 PHE N N 95 120.657 120.657 115.656 5.001 19394 1329 1 8 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.720 -0.158 19394 1330 1 8 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.138 1.203 19394 1331 1 8 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.547 -1.702 19394 1332 1 8 . 1 1 95 95 PHE H H 95 8.172 8.172 6.847 1.325 19394 1333 1 8 . 1 1 96 96 GLN N N 96 121.865 121.865 120.145 1.720 19394 1334 1 8 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.491 -0.208 19394 1335 1 8 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.085 0.345 19394 1336 1 8 . 1 1 96 96 GLN CB C 96 28.936 28.936 29.968 -1.032 19394 1337 1 8 . 1 1 96 96 GLN H H 96 8.256 8.256 8.701 -0.445 19394 1338 1 8 . 1 1 97 97 GLY N N 97 109.195 109.195 108.775 0.420 19394 1339 1 8 . 1 1 97 97 GLY H H 97 7.926 7.926 8.423 -0.497 19394 1340 1 8 . 1 1 98 98 LYS N N 98 120.394 120.394 120.027 0.367 19394 1341 1 8 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.352 -0.050 19394 1342 1 8 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.892 -0.252 19394 1343 1 8 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.822 -0.374 19394 1344 1 8 . 1 1 98 98 LYS H H 98 8.145 8.145 8.389 -0.244 19394 1345 1 9 . 1 1 63 63 LEU N N 63 122.281 122.281 123.815 -1.534 19394 1346 1 9 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.693 -0.465 19394 1347 1 9 . 1 1 63 63 LEU CA C 63 55.193 55.193 55.453 -0.260 19394 1348 1 9 . 1 1 63 63 LEU CB C 63 41.424 41.424 42.148 -0.724 19394 1349 1 9 . 1 1 63 63 LEU H H 63 8.343 8.343 8.564 -0.221 19394 1350 1 9 . 1 1 64 64 CYS N N 64 118.360 118.360 119.361 -1.001 19394 1351 1 9 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.580 -0.114 19394 1352 1 9 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.614 -0.925 19394 1353 1 9 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.566 -2.051 19394 1354 1 9 . 1 1 64 64 CYS H H 64 8.245 8.245 8.335 -0.090 19394 1355 1 9 . 1 1 65 65 SER N N 65 117.570 117.570 117.922 -0.352 19394 1356 1 9 . 1 1 65 65 SER HA H 65 4.464 4.464 4.644 -0.180 19394 1357 1 9 . 1 1 65 65 SER CA C 65 57.666 57.666 57.876 -0.209 19394 1358 1 9 . 1 1 65 65 SER CB C 65 63.162 63.162 63.831 -0.669 19394 1359 1 9 . 1 1 65 65 SER H H 65 8.163 8.163 8.075 0.088 19394 1360 1 9 . 1 1 66 66 LEU N N 66 123.618 123.618 125.655 -2.037 19394 1361 1 9 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.666 -0.398 19394 1362 1 9 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.125 0.035 19394 1363 1 9 . 1 1 66 66 LEU CB C 66 41.303 41.303 41.995 -0.692 19394 1364 1 9 . 1 1 66 66 LEU H H 66 7.932 7.932 8.336 -0.404 19394 1365 1 9 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.572 -0.249 19394 1366 1 9 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.184 -0.193 19394 1367 1 9 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.323 -0.949 19394 1368 1 9 . 1 1 68 68 GLU N N 68 121.685 121.685 117.934 3.751 19394 1369 1 9 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.031 -0.032 19394 1370 1 9 . 1 1 68 68 GLU CA C 68 57.134 57.134 57.023 0.111 19394 1371 1 9 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.396 -0.240 19394 1372 1 9 . 1 1 68 68 GLU H H 68 8.491 8.491 8.446 0.045 19394 1373 1 9 . 1 1 69 69 GLY N N 69 111.116 111.116 110.924 0.192 19394 1374 1 9 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.649 -1.047 19394 1375 1 9 . 1 1 69 69 GLY H H 69 8.648 8.648 8.721 -0.073 19394 1376 1 9 . 1 1 70 70 VAL N N 70 118.359 118.359 119.613 -1.254 19394 1377 1 9 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.041 -0.141 19394 1378 1 9 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.419 -0.923 19394 1379 1 9 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.039 -0.843 19394 1380 1 9 . 1 1 70 70 VAL H H 70 7.226 7.226 7.377 -0.151 19394 1381 1 9 . 1 1 71 71 ASP N N 71 127.269 127.269 127.618 -0.349 19394 1382 1 9 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.770 -0.253 19394 1383 1 9 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.039 0.287 19394 1384 1 9 . 1 1 71 71 ASP CB C 71 41.541 41.541 42.087 -0.546 19394 1385 1 9 . 1 1 71 71 ASP H H 71 8.683 8.683 8.393 0.290 19394 1386 1 9 . 1 1 72 72 GLN N N 72 127.038 127.038 125.498 1.540 19394 1387 1 9 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.926 -0.108 19394 1388 1 9 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.562 -0.889 19394 1389 1 9 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.878 -0.934 19394 1390 1 9 . 1 1 72 72 GLN H H 72 8.957 8.957 8.994 -0.037 19394 1391 1 9 . 1 1 73 73 GLU N N 73 118.406 118.406 118.578 -0.172 19394 1392 1 9 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.045 -0.022 19394 1393 1 9 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.379 -1.191 19394 1394 1 9 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.511 -1.087 19394 1395 1 9 . 1 1 73 73 GLU H H 73 8.230 8.230 8.153 0.077 19394 1396 1 9 . 1 1 74 74 VAL N N 74 119.834 119.834 119.194 0.640 19394 1397 1 9 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.721 -0.436 19394 1398 1 9 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.682 -0.299 19394 1399 1 9 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.838 -0.694 19394 1400 1 9 . 1 1 74 74 VAL H H 74 7.736 7.736 8.132 -0.396 19394 1401 1 9 . 1 1 75 75 PHE N N 75 118.185 118.185 120.436 -2.251 19394 1402 1 9 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.160 -0.506 19394 1403 1 9 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.141 -0.909 19394 1404 1 9 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.469 0.157 19394 1405 1 9 . 1 1 75 75 PHE H H 75 8.224 8.224 8.488 -0.264 19394 1406 1 9 . 1 1 76 76 LYS N N 76 113.494 113.494 116.991 -3.497 19394 1407 1 9 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.138 -0.343 19394 1408 1 9 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.602 -0.950 19394 1409 1 9 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.549 0.427 19394 1410 1 9 . 1 1 76 76 LYS H H 76 7.628 7.628 8.532 -0.904 19394 1411 1 9 . 1 1 77 77 GLN N N 77 115.735 115.735 117.156 -1.421 19394 1412 1 9 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.263 -0.065 19394 1413 1 9 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.062 -1.595 19394 1414 1 9 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.319 -0.648 19394 1415 1 9 . 1 1 77 77 GLN H H 77 7.471 7.471 7.601 -0.130 19394 1416 1 9 . 1 1 78 78 LEU N N 78 119.615 119.615 121.806 -2.191 19394 1417 1 9 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.524 -0.222 19394 1418 1 9 . 1 1 78 78 LEU CA C 78 51.933 51.933 51.911 0.022 19394 1419 1 9 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.723 -1.550 19394 1420 1 9 . 1 1 78 78 LEU H H 78 7.083 7.083 7.505 -0.422 19394 1421 1 9 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.499 -0.031 19394 1422 1 9 . 1 1 79 79 PRO CA C 79 61.505 61.505 61.880 -0.376 19394 1423 1 9 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.619 -0.663 19394 1424 1 9 . 1 1 80 80 VAL N N 80 122.107 122.107 121.654 0.453 19394 1425 1 9 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.727 -0.019 19394 1426 1 9 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.132 -0.051 19394 1427 1 9 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.590 -0.419 19394 1428 1 9 . 1 1 80 80 VAL H H 80 8.659 8.659 8.563 0.096 19394 1429 1 9 . 1 1 81 81 ASP N N 81 117.312 117.312 118.543 -1.231 19394 1430 1 9 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.375 -0.021 19394 1431 1 9 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.541 -1.723 19394 1432 1 9 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.077 -1.545 19394 1433 1 9 . 1 1 81 81 ASP H H 81 8.691 8.691 8.793 -0.102 19394 1434 1 9 . 1 1 82 82 ILE N N 82 121.282 121.282 120.248 1.034 19394 1435 1 9 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.851 -0.016 19394 1436 1 9 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.572 0.562 19394 1437 1 9 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.277 -0.655 19394 1438 1 9 . 1 1 82 82 ILE H H 82 7.116 7.116 7.376 -0.260 19394 1439 1 9 . 1 1 83 83 GLN N N 83 119.414 119.414 119.560 -0.146 19394 1440 1 9 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.611 -0.029 19394 1441 1 9 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.744 -0.431 19394 1442 1 9 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.467 -1.159 19394 1443 1 9 . 1 1 83 83 GLN H H 83 8.039 8.039 8.154 -0.115 19394 1444 1 9 . 1 1 84 84 GLU N N 84 115.831 115.831 118.108 -2.277 19394 1445 1 9 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.072 -0.125 19394 1446 1 9 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.268 -0.448 19394 1447 1 9 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.731 0.230 19394 1448 1 9 . 1 1 84 84 GLU H H 84 8.249 8.249 8.302 -0.053 19394 1449 1 9 . 1 1 85 85 GLU N N 85 121.288 121.288 120.513 0.775 19394 1450 1 9 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.095 -0.094 19394 1451 1 9 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.099 -0.324 19394 1452 1 9 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.810 -0.126 19394 1453 1 9 . 1 1 85 85 GLU H H 85 7.589 7.589 7.334 0.255 19394 1454 1 9 . 1 1 86 86 ILE N N 86 120.118 120.118 119.366 0.752 19394 1455 1 9 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.926 -0.147 19394 1456 1 9 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.637 -0.942 19394 1457 1 9 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.211 -0.488 19394 1458 1 9 . 1 1 86 86 ILE H H 86 8.152 8.152 8.574 -0.422 19394 1459 1 9 . 1 1 87 87 LEU N N 87 118.574 118.574 120.207 -1.633 19394 1460 1 9 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.200 -0.127 19394 1461 1 9 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.165 -0.665 19394 1462 1 9 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.285 0.014 19394 1463 1 9 . 1 1 87 87 LEU H H 87 8.266 8.266 8.081 0.185 19394 1464 1 9 . 1 1 88 88 SER N N 88 112.968 112.968 112.821 0.147 19394 1465 1 9 . 1 1 88 88 SER HA H 88 4.402 4.402 4.319 0.083 19394 1466 1 9 . 1 1 88 88 SER CA C 88 59.317 59.317 60.324 -1.007 19394 1467 1 9 . 1 1 88 88 SER CB C 88 63.412 63.412 63.801 -0.389 19394 1468 1 9 . 1 1 88 88 SER H H 88 8.081 8.081 7.733 0.348 19394 1469 1 9 . 1 1 89 89 GLY N N 89 110.018 110.018 108.212 1.806 19394 1470 1 9 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.182 0.425 19394 1471 1 9 . 1 1 89 89 GLY H H 89 8.005 8.005 7.631 0.374 19394 1472 1 9 . 1 1 90 90 LYS N N 90 119.834 119.834 119.535 0.299 19394 1473 1 9 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.534 -0.217 19394 1474 1 9 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.876 1.083 19394 1475 1 9 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.961 -1.407 19394 1476 1 9 . 1 1 90 90 LYS H H 90 8.008 8.008 7.327 0.681 19394 1477 1 9 . 1 1 91 91 SER N N 91 115.231 115.231 113.550 1.681 19394 1478 1 9 . 1 1 91 91 SER HA H 91 4.357 4.357 4.140 0.217 19394 1479 1 9 . 1 1 91 91 SER CA C 91 58.171 58.171 59.117 -0.946 19394 1480 1 9 . 1 1 91 91 SER CB C 91 63.087 63.087 61.962 1.125 19394 1481 1 9 . 1 1 91 91 SER H H 91 8.179 8.179 8.716 -0.537 19394 1482 1 9 . 1 1 92 92 ARG N N 92 122.647 122.647 120.735 1.912 19394 1483 1 9 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.368 -0.093 19394 1484 1 9 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.276 0.709 19394 1485 1 9 . 1 1 92 92 ARG H H 92 8.383 8.383 8.179 0.204 19394 1486 1 9 . 1 1 93 93 GLU N N 93 120.781 120.781 122.234 -1.453 19394 1487 1 9 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.255 -0.200 19394 1488 1 9 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.630 -0.036 19394 1489 1 9 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.917 -0.469 19394 1490 1 9 . 1 1 93 93 GLU H H 93 8.408 8.408 8.271 0.137 19394 1491 1 9 . 1 1 94 94 LYS N N 94 120.821 120.821 120.873 -0.052 19394 1492 1 9 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.158 0.040 19394 1493 1 9 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.512 -1.477 19394 1494 1 9 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.428 -0.256 19394 1495 1 9 . 1 1 94 94 LYS H H 94 8.148 8.148 8.017 0.131 19394 1496 1 9 . 1 1 95 95 PHE N N 95 120.657 120.657 116.532 4.125 19394 1497 1 9 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.714 -0.152 19394 1498 1 9 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.939 0.402 19394 1499 1 9 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.121 -1.277 19394 1500 1 9 . 1 1 95 95 PHE H H 95 8.172 8.172 7.240 0.932 19394 1501 1 9 . 1 1 96 96 GLN N N 96 121.865 121.865 118.433 3.432 19394 1502 1 9 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.567 -0.284 19394 1503 1 9 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.450 0.980 19394 1504 1 9 . 1 1 96 96 GLN CB C 96 28.936 28.936 32.033 -3.097 19394 1505 1 9 . 1 1 96 96 GLN H H 96 8.256 8.256 8.492 -0.236 19394 1506 1 9 . 1 1 97 97 GLY N N 97 109.195 109.195 109.009 0.186 19394 1507 1 9 . 1 1 97 97 GLY H H 97 7.926 7.926 8.650 -0.724 19394 1508 1 9 . 1 1 98 98 LYS N N 98 120.394 120.394 126.925 -6.531 19394 1509 1 9 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.226 0.076 19394 1510 1 9 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.831 -1.191 19394 1511 1 9 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.330 0.118 19394 1512 1 9 . 1 1 98 98 LYS H H 98 8.145 8.145 8.766 -0.621 19394 1513 1 10 . 1 1 63 63 LEU N N 63 122.281 122.281 121.889 0.392 19394 1514 1 10 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.599 -0.371 19394 1515 1 10 . 1 1 63 63 LEU CA C 63 55.193 55.193 53.432 1.761 19394 1516 1 10 . 1 1 63 63 LEU CB C 63 41.424 41.424 42.128 -0.704 19394 1517 1 10 . 1 1 63 63 LEU H H 63 8.343 8.343 8.032 0.311 19394 1518 1 10 . 1 1 64 64 CYS N N 64 118.360 118.360 121.662 -3.302 19394 1519 1 10 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.559 -0.093 19394 1520 1 10 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.658 -0.969 19394 1521 1 10 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.447 -1.932 19394 1522 1 10 . 1 1 64 64 CYS H H 64 8.245 8.245 8.545 -0.300 19394 1523 1 10 . 1 1 65 65 SER N N 65 117.570 117.570 117.807 -0.237 19394 1524 1 10 . 1 1 65 65 SER HA H 65 4.464 4.464 4.686 -0.222 19394 1525 1 10 . 1 1 65 65 SER CA C 65 57.666 57.666 58.173 -0.507 19394 1526 1 10 . 1 1 65 65 SER CB C 65 63.162 63.162 63.327 -0.165 19394 1527 1 10 . 1 1 65 65 SER H H 65 8.163 8.163 7.886 0.277 19394 1528 1 10 . 1 1 66 66 LEU N N 66 123.618 123.618 125.387 -1.769 19394 1529 1 10 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.633 -0.365 19394 1530 1 10 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.147 0.013 19394 1531 1 10 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.621 -1.318 19394 1532 1 10 . 1 1 66 66 LEU H H 66 7.932 7.932 8.260 -0.328 19394 1533 1 10 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.594 -0.271 19394 1534 1 10 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.198 -0.207 19394 1535 1 10 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.368 -0.994 19394 1536 1 10 . 1 1 68 68 GLU N N 68 121.685 121.685 117.876 3.809 19394 1537 1 10 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.999 -0.000 19394 1538 1 10 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.909 0.225 19394 1539 1 10 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.314 -0.158 19394 1540 1 10 . 1 1 68 68 GLU H H 68 8.491 8.491 8.432 0.059 19394 1541 1 10 . 1 1 69 69 GLY N N 69 111.116 111.116 110.813 0.303 19394 1542 1 10 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.694 -1.092 19394 1543 1 10 . 1 1 69 69 GLY H H 69 8.648 8.648 8.653 -0.005 19394 1544 1 10 . 1 1 70 70 VAL N N 70 118.359 118.359 118.958 -0.599 19394 1545 1 10 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.053 -0.153 19394 1546 1 10 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.986 -1.490 19394 1547 1 10 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.294 -1.097 19394 1548 1 10 . 1 1 70 70 VAL H H 70 7.226 7.226 7.298 -0.072 19394 1549 1 10 . 1 1 71 71 ASP N N 71 127.269 127.269 127.451 -0.182 19394 1550 1 10 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.807 -0.290 19394 1551 1 10 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.759 0.567 19394 1552 1 10 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.789 -0.248 19394 1553 1 10 . 1 1 71 71 ASP H H 71 8.683 8.683 8.436 0.247 19394 1554 1 10 . 1 1 72 72 GLN N N 72 127.038 127.038 125.763 1.275 19394 1555 1 10 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.941 -0.123 19394 1556 1 10 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.466 -0.793 19394 1557 1 10 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.925 -0.981 19394 1558 1 10 . 1 1 72 72 GLN H H 72 8.957 8.957 8.969 -0.012 19394 1559 1 10 . 1 1 73 73 GLU N N 73 118.406 118.406 118.656 -0.250 19394 1560 1 10 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.039 -0.016 19394 1561 1 10 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.409 -1.221 19394 1562 1 10 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.406 -0.982 19394 1563 1 10 . 1 1 73 73 GLU H H 73 8.230 8.230 8.105 0.125 19394 1564 1 10 . 1 1 74 74 VAL N N 74 119.834 119.834 118.800 1.034 19394 1565 1 10 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.784 -0.499 19394 1566 1 10 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.704 -0.321 19394 1567 1 10 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.750 -0.606 19394 1568 1 10 . 1 1 74 74 VAL H H 74 7.736 7.736 7.439 0.297 19394 1569 1 10 . 1 1 75 75 PHE N N 75 118.185 118.185 120.644 -2.459 19394 1570 1 10 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.107 -0.453 19394 1571 1 10 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.145 -0.913 19394 1572 1 10 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.367 0.259 19394 1573 1 10 . 1 1 75 75 PHE H H 75 8.224 8.224 8.453 -0.229 19394 1574 1 10 . 1 1 76 76 LYS N N 76 113.494 113.494 117.228 -3.734 19394 1575 1 10 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.129 -0.334 19394 1576 1 10 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.489 -0.837 19394 1577 1 10 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.595 0.381 19394 1578 1 10 . 1 1 76 76 LYS H H 76 7.628 7.628 8.520 -0.892 19394 1579 1 10 . 1 1 77 77 GLN N N 77 115.735 115.735 117.748 -2.013 19394 1580 1 10 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.269 -0.071 19394 1581 1 10 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.413 -1.946 19394 1582 1 10 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.574 -0.903 19394 1583 1 10 . 1 1 77 77 GLN H H 77 7.471 7.471 7.452 0.019 19394 1584 1 10 . 1 1 78 78 LEU N N 78 119.615 119.615 121.212 -1.597 19394 1585 1 10 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.365 -0.063 19394 1586 1 10 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.942 -1.009 19394 1587 1 10 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.811 -1.638 19394 1588 1 10 . 1 1 78 78 LEU H H 78 7.083 7.083 7.338 -0.255 19394 1589 1 10 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.544 -0.076 19394 1590 1 10 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.205 -0.699 19394 1591 1 10 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.631 -0.675 19394 1592 1 10 . 1 1 80 80 VAL N N 80 122.107 122.107 120.666 1.441 19394 1593 1 10 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.668 0.040 19394 1594 1 10 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.593 -0.512 19394 1595 1 10 . 1 1 80 80 VAL CB C 80 31.171 31.171 32.082 -0.911 19394 1596 1 10 . 1 1 80 80 VAL H H 80 8.659 8.659 8.478 0.181 19394 1597 1 10 . 1 1 81 81 ASP N N 81 117.312 117.312 119.146 -1.834 19394 1598 1 10 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.379 -0.025 19394 1599 1 10 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.572 -1.754 19394 1600 1 10 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.224 -1.692 19394 1601 1 10 . 1 1 81 81 ASP H H 81 8.691 8.691 8.756 -0.065 19394 1602 1 10 . 1 1 82 82 ILE N N 82 121.282 121.282 119.357 1.925 19394 1603 1 10 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.908 -0.073 19394 1604 1 10 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.725 1.409 19394 1605 1 10 . 1 1 82 82 ILE CB C 82 36.622 36.622 36.973 -0.351 19394 1606 1 10 . 1 1 82 82 ILE H H 82 7.116 7.116 7.402 -0.286 19394 1607 1 10 . 1 1 83 83 GLN N N 83 119.414 119.414 120.069 -0.655 19394 1608 1 10 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.681 -0.099 19394 1609 1 10 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.788 -0.475 19394 1610 1 10 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.729 -1.421 19394 1611 1 10 . 1 1 83 83 GLN H H 83 8.039 8.039 7.937 0.102 19394 1612 1 10 . 1 1 84 84 GLU N N 84 115.831 115.831 119.112 -3.281 19394 1613 1 10 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.039 -0.092 19394 1614 1 10 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.432 -0.612 19394 1615 1 10 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.814 0.147 19394 1616 1 10 . 1 1 84 84 GLU H H 84 8.249 8.249 8.553 -0.304 19394 1617 1 10 . 1 1 85 85 GLU N N 85 121.288 121.288 120.312 0.976 19394 1618 1 10 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.088 -0.087 19394 1619 1 10 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.070 -0.295 19394 1620 1 10 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.697 -0.013 19394 1621 1 10 . 1 1 85 85 GLU H H 85 7.589 7.589 7.535 0.054 19394 1622 1 10 . 1 1 86 86 ILE N N 86 120.118 120.118 119.890 0.228 19394 1623 1 10 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.883 -0.104 19394 1624 1 10 . 1 1 86 86 ILE CA C 86 63.695 63.695 65.050 -1.355 19394 1625 1 10 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.233 -0.510 19394 1626 1 10 . 1 1 86 86 ILE H H 86 8.152 8.152 7.844 0.308 19394 1627 1 10 . 1 1 87 87 LEU N N 87 118.574 118.574 120.722 -2.148 19394 1628 1 10 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.196 -0.123 19394 1629 1 10 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.366 -0.866 19394 1630 1 10 . 1 1 87 87 LEU CB C 87 41.299 41.299 40.821 0.478 19394 1631 1 10 . 1 1 87 87 LEU H H 87 8.266 8.266 8.621 -0.355 19394 1632 1 10 . 1 1 88 88 SER N N 88 112.968 112.968 111.858 1.110 19394 1633 1 10 . 1 1 88 88 SER HA H 88 4.402 4.402 4.343 0.059 19394 1634 1 10 . 1 1 88 88 SER CA C 88 59.317 59.317 60.266 -0.949 19394 1635 1 10 . 1 1 88 88 SER CB C 88 63.412 63.412 63.922 -0.510 19394 1636 1 10 . 1 1 88 88 SER H H 88 8.081 8.081 7.875 0.206 19394 1637 1 10 . 1 1 89 89 GLY N N 89 110.018 110.018 108.537 1.481 19394 1638 1 10 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.458 0.149 19394 1639 1 10 . 1 1 89 89 GLY H H 89 8.005 8.005 8.111 -0.106 19394 1640 1 10 . 1 1 90 90 LYS N N 90 119.834 119.834 118.809 1.025 19394 1641 1 10 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.640 -0.323 19394 1642 1 10 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.664 1.295 19394 1643 1 10 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.735 -1.181 19394 1644 1 10 . 1 1 90 90 LYS H H 90 8.008 8.008 7.392 0.616 19394 1645 1 10 . 1 1 91 91 SER N N 91 115.231 115.231 113.220 2.011 19394 1646 1 10 . 1 1 91 91 SER HA H 91 4.357 4.357 4.107 0.250 19394 1647 1 10 . 1 1 91 91 SER CA C 91 58.171 58.171 59.342 -1.171 19394 1648 1 10 . 1 1 91 91 SER CB C 91 63.087 63.087 61.969 1.118 19394 1649 1 10 . 1 1 91 91 SER H H 91 8.179 8.179 8.673 -0.494 19394 1650 1 10 . 1 1 92 92 ARG N N 92 122.647 122.647 121.428 1.219 19394 1651 1 10 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.337 -0.062 19394 1652 1 10 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.173 0.812 19394 1653 1 10 . 1 1 92 92 ARG H H 92 8.383 8.383 8.120 0.263 19394 1654 1 10 . 1 1 93 93 GLU N N 93 120.781 120.781 120.700 0.081 19394 1655 1 10 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.256 -0.201 19394 1656 1 10 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.452 0.142 19394 1657 1 10 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.899 -0.451 19394 1658 1 10 . 1 1 93 93 GLU H H 93 8.408 8.408 8.191 0.217 19394 1659 1 10 . 1 1 94 94 LYS N N 94 120.821 120.821 120.463 0.358 19394 1660 1 10 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.101 0.097 19394 1661 1 10 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.637 -1.602 19394 1662 1 10 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.590 -0.418 19394 1663 1 10 . 1 1 94 94 LYS H H 94 8.148 8.148 8.305 -0.157 19394 1664 1 10 . 1 1 95 95 PHE N N 95 120.657 120.657 115.412 5.245 19394 1665 1 10 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.819 -0.257 19394 1666 1 10 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.182 1.159 19394 1667 1 10 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.078 -1.234 19394 1668 1 10 . 1 1 95 95 PHE H H 95 8.172 8.172 6.909 1.263 19394 1669 1 10 . 1 1 96 96 GLN N N 96 121.865 121.865 118.458 3.407 19394 1670 1 10 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.566 -0.283 19394 1671 1 10 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.258 1.172 19394 1672 1 10 . 1 1 96 96 GLN CB C 96 28.936 28.936 30.947 -2.011 19394 1673 1 10 . 1 1 96 96 GLN H H 96 8.256 8.256 8.539 -0.283 19394 1674 1 10 . 1 1 97 97 GLY N N 97 109.195 109.195 109.324 -0.129 19394 1675 1 10 . 1 1 97 97 GLY H H 97 7.926 7.926 8.657 -0.731 19394 1676 1 10 . 1 1 98 98 LYS N N 98 120.394 120.394 127.375 -6.981 19394 1677 1 10 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.153 0.149 19394 1678 1 10 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.689 -1.049 19394 1679 1 10 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.981 0.467 19394 1680 1 10 . 1 1 98 98 LYS H H 98 8.145 8.145 8.441 -0.296 19394 1681 1 11 . 1 1 63 63 LEU N N 63 122.281 122.281 119.519 2.762 19394 1682 1 11 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.418 -0.190 19394 1683 1 11 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.595 0.598 19394 1684 1 11 . 1 1 63 63 LEU CB C 63 41.424 41.424 40.071 1.353 19394 1685 1 11 . 1 1 63 63 LEU H H 63 8.343 8.343 8.450 -0.107 19394 1686 1 11 . 1 1 64 64 CYS N N 64 118.360 118.360 119.030 -0.670 19394 1687 1 11 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.361 0.105 19394 1688 1 11 . 1 1 64 64 CYS CA C 64 57.689 57.689 59.813 -2.124 19394 1689 1 11 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.127 -1.612 19394 1690 1 11 . 1 1 64 64 CYS H H 64 8.245 8.245 7.741 0.504 19394 1691 1 11 . 1 1 65 65 SER N N 65 117.570 117.570 117.099 0.471 19394 1692 1 11 . 1 1 65 65 SER HA H 65 4.464 4.464 4.669 -0.205 19394 1693 1 11 . 1 1 65 65 SER CA C 65 57.666 57.666 57.572 0.094 19394 1694 1 11 . 1 1 65 65 SER CB C 65 63.162 63.162 62.775 0.387 19394 1695 1 11 . 1 1 65 65 SER H H 65 8.163 8.163 8.239 -0.076 19394 1696 1 11 . 1 1 66 66 LEU N N 66 123.618 123.618 125.966 -2.348 19394 1697 1 11 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.613 -0.345 19394 1698 1 11 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.114 0.047 19394 1699 1 11 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.420 -1.117 19394 1700 1 11 . 1 1 66 66 LEU H H 66 7.932 7.932 8.165 -0.233 19394 1701 1 11 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.513 -0.190 19394 1702 1 11 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.166 -0.175 19394 1703 1 11 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.243 -0.869 19394 1704 1 11 . 1 1 68 68 GLU N N 68 121.685 121.685 118.755 2.930 19394 1705 1 11 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.997 0.002 19394 1706 1 11 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.794 0.340 19394 1707 1 11 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.102 0.055 19394 1708 1 11 . 1 1 68 68 GLU H H 68 8.491 8.491 8.439 0.052 19394 1709 1 11 . 1 1 69 69 GLY N N 69 111.116 111.116 110.466 0.650 19394 1710 1 11 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.663 -1.061 19394 1711 1 11 . 1 1 69 69 GLY H H 69 8.648 8.648 8.644 0.004 19394 1712 1 11 . 1 1 70 70 VAL N N 70 118.359 118.359 118.044 0.315 19394 1713 1 11 . 1 1 70 70 VAL HA H 70 3.900 3.900 3.971 -0.071 19394 1714 1 11 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.862 -1.367 19394 1715 1 11 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.257 -1.060 19394 1716 1 11 . 1 1 70 70 VAL H H 70 7.226 7.226 7.155 0.071 19394 1717 1 11 . 1 1 71 71 ASP N N 71 127.269 127.269 127.256 0.013 19394 1718 1 11 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.742 -0.225 19394 1719 1 11 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.158 0.168 19394 1720 1 11 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.863 -0.322 19394 1721 1 11 . 1 1 71 71 ASP H H 71 8.683 8.683 8.410 0.273 19394 1722 1 11 . 1 1 72 72 GLN N N 72 127.038 127.038 125.685 1.353 19394 1723 1 11 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.918 -0.100 19394 1724 1 11 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.308 -0.635 19394 1725 1 11 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.842 -0.898 19394 1726 1 11 . 1 1 72 72 GLN H H 72 8.957 8.957 8.975 -0.018 19394 1727 1 11 . 1 1 73 73 GLU N N 73 118.406 118.406 119.083 -0.677 19394 1728 1 11 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.032 -0.009 19394 1729 1 11 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.306 -1.118 19394 1730 1 11 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.415 -0.991 19394 1731 1 11 . 1 1 73 73 GLU H H 73 8.230 8.230 8.122 0.108 19394 1732 1 11 . 1 1 74 74 VAL N N 74 119.834 119.834 118.713 1.121 19394 1733 1 11 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.780 -0.495 19394 1734 1 11 . 1 1 74 74 VAL CA C 74 65.383 65.383 66.025 -0.642 19394 1735 1 11 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.444 -0.300 19394 1736 1 11 . 1 1 74 74 VAL H H 74 7.736 7.736 8.510 -0.774 19394 1737 1 11 . 1 1 75 75 PHE N N 75 118.185 118.185 120.725 -2.540 19394 1738 1 11 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.125 -0.471 19394 1739 1 11 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.070 -0.838 19394 1740 1 11 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.322 0.304 19394 1741 1 11 . 1 1 75 75 PHE H H 75 8.224 8.224 8.600 -0.376 19394 1742 1 11 . 1 1 76 76 LYS N N 76 113.494 113.494 117.225 -3.731 19394 1743 1 11 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.130 -0.335 19394 1744 1 11 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.567 -0.915 19394 1745 1 11 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.606 0.370 19394 1746 1 11 . 1 1 76 76 LYS H H 76 7.628 7.628 8.642 -1.014 19394 1747 1 11 . 1 1 77 77 GLN N N 77 115.735 115.735 117.315 -1.580 19394 1748 1 11 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.246 -0.048 19394 1749 1 11 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.139 -1.672 19394 1750 1 11 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.453 -0.782 19394 1751 1 11 . 1 1 77 77 GLN H H 77 7.471 7.471 7.612 -0.141 19394 1752 1 11 . 1 1 78 78 LEU N N 78 119.615 119.615 121.589 -1.974 19394 1753 1 11 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.538 -0.236 19394 1754 1 11 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.462 -0.528 19394 1755 1 11 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.716 -1.543 19394 1756 1 11 . 1 1 78 78 LEU H H 78 7.083 7.083 7.385 -0.302 19394 1757 1 11 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.499 -0.031 19394 1758 1 11 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.027 -0.522 19394 1759 1 11 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.537 -0.581 19394 1760 1 11 . 1 1 80 80 VAL N N 80 122.107 122.107 121.562 0.545 19394 1761 1 11 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.703 0.005 19394 1762 1 11 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.491 -0.410 19394 1763 1 11 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.685 -0.514 19394 1764 1 11 . 1 1 80 80 VAL H H 80 8.659 8.659 8.556 0.103 19394 1765 1 11 . 1 1 81 81 ASP N N 81 117.312 117.312 118.955 -1.643 19394 1766 1 11 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.382 -0.028 19394 1767 1 11 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.660 -1.841 19394 1768 1 11 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.101 -1.569 19394 1769 1 11 . 1 1 81 81 ASP H H 81 8.691 8.691 8.750 -0.059 19394 1770 1 11 . 1 1 82 82 ILE N N 82 121.282 121.282 119.256 2.026 19394 1771 1 11 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.941 -0.106 19394 1772 1 11 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.783 1.351 19394 1773 1 11 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.033 -0.411 19394 1774 1 11 . 1 1 82 82 ILE H H 82 7.116 7.116 7.478 -0.362 19394 1775 1 11 . 1 1 83 83 GLN N N 83 119.414 119.414 120.015 -0.601 19394 1776 1 11 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.691 -0.109 19394 1777 1 11 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.697 -0.384 19394 1778 1 11 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.709 -1.401 19394 1779 1 11 . 1 1 83 83 GLN H H 83 8.039 8.039 7.894 0.145 19394 1780 1 11 . 1 1 84 84 GLU N N 84 115.831 115.831 119.059 -3.228 19394 1781 1 11 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.005 -0.058 19394 1782 1 11 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.543 -0.723 19394 1783 1 11 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.566 0.395 19394 1784 1 11 . 1 1 84 84 GLU H H 84 8.249 8.249 8.625 -0.376 19394 1785 1 11 . 1 1 85 85 GLU N N 85 121.288 121.288 120.414 0.874 19394 1786 1 11 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.086 -0.085 19394 1787 1 11 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.150 -0.375 19394 1788 1 11 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.698 -0.014 19394 1789 1 11 . 1 1 85 85 GLU H H 85 7.589 7.589 7.534 0.055 19394 1790 1 11 . 1 1 86 86 ILE N N 86 120.118 120.118 119.238 0.880 19394 1791 1 11 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.924 -0.145 19394 1792 1 11 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.800 -1.105 19394 1793 1 11 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.196 -0.473 19394 1794 1 11 . 1 1 86 86 ILE H H 86 8.152 8.152 7.721 0.431 19394 1795 1 11 . 1 1 87 87 LEU N N 87 118.574 118.574 120.066 -1.492 19394 1796 1 11 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.231 -0.158 19394 1797 1 11 . 1 1 87 87 LEU CA C 87 56.500 56.500 56.907 -0.407 19394 1798 1 11 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.253 0.046 19394 1799 1 11 . 1 1 87 87 LEU H H 87 8.266 8.266 8.220 0.046 19394 1800 1 11 . 1 1 88 88 SER N N 88 112.968 112.968 112.499 0.469 19394 1801 1 11 . 1 1 88 88 SER HA H 88 4.402 4.402 4.301 0.101 19394 1802 1 11 . 1 1 88 88 SER CA C 88 59.317 59.317 60.183 -0.866 19394 1803 1 11 . 1 1 88 88 SER CB C 88 63.412 63.412 63.790 -0.378 19394 1804 1 11 . 1 1 88 88 SER H H 88 8.081 8.081 8.016 0.065 19394 1805 1 11 . 1 1 89 89 GLY N N 89 110.018 110.018 107.811 2.207 19394 1806 1 11 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.313 0.294 19394 1807 1 11 . 1 1 89 89 GLY H H 89 8.005 8.005 7.518 0.487 19394 1808 1 11 . 1 1 90 90 LYS N N 90 119.834 119.834 119.252 0.582 19394 1809 1 11 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.624 -0.307 19394 1810 1 11 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.923 1.036 19394 1811 1 11 . 1 1 90 90 LYS CB C 90 32.554 32.554 34.243 -1.689 19394 1812 1 11 . 1 1 90 90 LYS H H 90 8.008 8.008 7.419 0.589 19394 1813 1 11 . 1 1 91 91 SER N N 91 115.231 115.231 113.149 2.082 19394 1814 1 11 . 1 1 91 91 SER HA H 91 4.357 4.357 4.087 0.270 19394 1815 1 11 . 1 1 91 91 SER CA C 91 58.171 58.171 58.617 -0.446 19394 1816 1 11 . 1 1 91 91 SER CB C 91 63.087 63.087 61.835 1.252 19394 1817 1 11 . 1 1 91 91 SER H H 91 8.179 8.179 8.691 -0.512 19394 1818 1 11 . 1 1 92 92 ARG N N 92 122.647 122.647 120.260 2.387 19394 1819 1 11 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.486 -0.211 19394 1820 1 11 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.227 0.758 19394 1821 1 11 . 1 1 92 92 ARG H H 92 8.383 8.383 7.998 0.385 19394 1822 1 11 . 1 1 93 93 GLU N N 93 120.781 120.781 122.953 -2.172 19394 1823 1 11 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.242 -0.187 19394 1824 1 11 . 1 1 93 93 GLU CA C 93 56.594 56.594 55.150 1.444 19394 1825 1 11 . 1 1 93 93 GLU CB C 93 29.448 29.448 31.729 -2.280 19394 1826 1 11 . 1 1 93 93 GLU H H 93 8.408 8.408 8.241 0.167 19394 1827 1 11 . 1 1 94 94 LYS N N 94 120.821 120.821 118.752 2.069 19394 1828 1 11 . 1 1 94 94 LYS HA H 94 4.198 4.198 3.972 0.226 19394 1829 1 11 . 1 1 94 94 LYS CA C 94 56.035 56.035 58.079 -2.044 19394 1830 1 11 . 1 1 94 94 LYS CB C 94 32.172 32.172 31.556 0.616 19394 1831 1 11 . 1 1 94 94 LYS H H 94 8.148 8.148 8.400 -0.252 19394 1832 1 11 . 1 1 95 95 PHE N N 95 120.657 120.657 118.162 2.495 19394 1833 1 11 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.820 -0.258 19394 1834 1 11 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.562 0.779 19394 1835 1 11 . 1 1 95 95 PHE CB C 95 38.844 38.844 39.583 -0.739 19394 1836 1 11 . 1 1 95 95 PHE H H 95 8.172 8.172 7.558 0.614 19394 1837 1 11 . 1 1 96 96 GLN N N 96 121.865 121.865 120.459 1.406 19394 1838 1 11 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.493 -0.210 19394 1839 1 11 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.103 0.327 19394 1840 1 11 . 1 1 96 96 GLN CB C 96 28.936 28.936 30.053 -1.117 19394 1841 1 11 . 1 1 96 96 GLN H H 96 8.256 8.256 8.583 -0.327 19394 1842 1 11 . 1 1 97 97 GLY N N 97 109.195 109.195 109.549 -0.354 19394 1843 1 11 . 1 1 97 97 GLY H H 97 7.926 7.926 8.511 -0.585 19394 1844 1 11 . 1 1 98 98 LYS N N 98 120.394 120.394 119.967 0.427 19394 1845 1 11 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.496 -0.194 19394 1846 1 11 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.080 -0.440 19394 1847 1 11 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.277 1.171 19394 1848 1 11 . 1 1 98 98 LYS H H 98 8.145 8.145 8.593 -0.448 19394 1849 1 12 . 1 1 63 63 LEU N N 63 122.281 122.281 121.072 1.209 19394 1850 1 12 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.669 -0.441 19394 1851 1 12 . 1 1 63 63 LEU CA C 63 55.193 55.193 53.742 1.451 19394 1852 1 12 . 1 1 63 63 LEU CB C 63 41.424 41.424 43.319 -1.895 19394 1853 1 12 . 1 1 63 63 LEU H H 63 8.343 8.343 8.248 0.095 19394 1854 1 12 . 1 1 64 64 CYS N N 64 118.360 118.360 119.634 -1.274 19394 1855 1 12 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.426 0.040 19394 1856 1 12 . 1 1 64 64 CYS CA C 64 57.689 57.689 60.293 -2.604 19394 1857 1 12 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.390 -0.875 19394 1858 1 12 . 1 1 64 64 CYS H H 64 8.245 8.245 8.379 -0.134 19394 1859 1 12 . 1 1 65 65 SER N N 65 117.570 117.570 114.134 3.436 19394 1860 1 12 . 1 1 65 65 SER HA H 65 4.464 4.464 4.589 -0.125 19394 1861 1 12 . 1 1 65 65 SER CA C 65 57.666 57.666 58.187 -0.521 19394 1862 1 12 . 1 1 65 65 SER CB C 65 63.162 63.162 62.843 0.319 19394 1863 1 12 . 1 1 65 65 SER H H 65 8.163 8.163 7.895 0.268 19394 1864 1 12 . 1 1 66 66 LEU N N 66 123.618 123.618 127.245 -3.627 19394 1865 1 12 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.644 -0.376 19394 1866 1 12 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.977 0.183 19394 1867 1 12 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.406 -1.103 19394 1868 1 12 . 1 1 66 66 LEU H H 66 7.932 7.932 8.243 -0.311 19394 1869 1 12 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.616 -0.293 19394 1870 1 12 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.197 -0.206 19394 1871 1 12 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.455 -1.081 19394 1872 1 12 . 1 1 68 68 GLU N N 68 121.685 121.685 118.057 3.628 19394 1873 1 12 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.015 -0.016 19394 1874 1 12 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.961 0.173 19394 1875 1 12 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.299 -0.143 19394 1876 1 12 . 1 1 68 68 GLU H H 68 8.491 8.491 8.437 0.055 19394 1877 1 12 . 1 1 69 69 GLY N N 69 111.116 111.116 110.415 0.701 19394 1878 1 12 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.689 -1.087 19394 1879 1 12 . 1 1 69 69 GLY H H 69 8.648 8.648 8.694 -0.046 19394 1880 1 12 . 1 1 70 70 VAL N N 70 118.359 118.359 118.203 0.156 19394 1881 1 12 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.023 -0.123 19394 1882 1 12 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.733 -1.237 19394 1883 1 12 . 1 1 70 70 VAL CB C 70 32.197 32.197 32.972 -0.775 19394 1884 1 12 . 1 1 70 70 VAL H H 70 7.226 7.226 7.242 -0.016 19394 1885 1 12 . 1 1 71 71 ASP N N 71 127.269 127.269 126.534 0.735 19394 1886 1 12 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.771 -0.254 19394 1887 1 12 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.159 0.167 19394 1888 1 12 . 1 1 71 71 ASP CB C 71 41.541 41.541 42.329 -0.788 19394 1889 1 12 . 1 1 71 71 ASP H H 71 8.683 8.683 8.447 0.236 19394 1890 1 12 . 1 1 72 72 GLN N N 72 127.038 127.038 125.220 1.818 19394 1891 1 12 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.947 -0.129 19394 1892 1 12 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.440 -0.767 19394 1893 1 12 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.814 -0.870 19394 1894 1 12 . 1 1 72 72 GLN H H 72 8.957 8.957 8.989 -0.032 19394 1895 1 12 . 1 1 73 73 GLU N N 73 118.406 118.406 118.577 -0.171 19394 1896 1 12 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.064 -0.041 19394 1897 1 12 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.361 -1.173 19394 1898 1 12 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.096 -0.672 19394 1899 1 12 . 1 1 73 73 GLU H H 73 8.230 8.230 8.147 0.083 19394 1900 1 12 . 1 1 74 74 VAL N N 74 119.834 119.834 119.045 0.789 19394 1901 1 12 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.816 -0.531 19394 1902 1 12 . 1 1 74 74 VAL CA C 74 65.383 65.383 64.758 0.625 19394 1903 1 12 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.203 -0.059 19394 1904 1 12 . 1 1 74 74 VAL H H 74 7.736 7.736 8.674 -0.938 19394 1905 1 12 . 1 1 75 75 PHE N N 75 118.185 118.185 121.190 -3.005 19394 1906 1 12 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.096 -0.442 19394 1907 1 12 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.127 -0.895 19394 1908 1 12 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.360 0.266 19394 1909 1 12 . 1 1 75 75 PHE H H 75 8.224 8.224 8.454 -0.230 19394 1910 1 12 . 1 1 76 76 LYS N N 76 113.494 113.494 117.257 -3.763 19394 1911 1 12 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.103 -0.308 19394 1912 1 12 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.695 -1.043 19394 1913 1 12 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.577 0.399 19394 1914 1 12 . 1 1 76 76 LYS H H 76 7.628 7.628 8.675 -1.047 19394 1915 1 12 . 1 1 77 77 GLN N N 77 115.735 115.735 117.059 -1.324 19394 1916 1 12 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.258 -0.060 19394 1917 1 12 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.085 -1.618 19394 1918 1 12 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.325 -0.654 19394 1919 1 12 . 1 1 77 77 GLN H H 77 7.471 7.471 7.550 -0.079 19394 1920 1 12 . 1 1 78 78 LEU N N 78 119.615 119.615 121.964 -2.349 19394 1921 1 12 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.475 -0.173 19394 1922 1 12 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.044 -0.111 19394 1923 1 12 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.684 -1.511 19394 1924 1 12 . 1 1 78 78 LEU H H 78 7.083 7.083 7.500 -0.417 19394 1925 1 12 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.488 -0.020 19394 1926 1 12 . 1 1 79 79 PRO CA C 79 61.505 61.505 61.957 -0.452 19394 1927 1 12 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.675 -0.719 19394 1928 1 12 . 1 1 80 80 VAL N N 80 122.107 122.107 121.315 0.792 19394 1929 1 12 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.678 0.030 19394 1930 1 12 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.641 -0.560 19394 1931 1 12 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.946 -0.775 19394 1932 1 12 . 1 1 80 80 VAL H H 80 8.659 8.659 8.525 0.134 19394 1933 1 12 . 1 1 81 81 ASP N N 81 117.312 117.312 118.455 -1.143 19394 1934 1 12 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.369 -0.015 19394 1935 1 12 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.547 -1.730 19394 1936 1 12 . 1 1 81 81 ASP CB C 81 38.532 38.532 39.907 -1.375 19394 1937 1 12 . 1 1 81 81 ASP H H 81 8.691 8.691 8.820 -0.129 19394 1938 1 12 . 1 1 82 82 ILE N N 82 121.282 121.282 120.320 0.962 19394 1939 1 12 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.928 -0.093 19394 1940 1 12 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.474 0.660 19394 1941 1 12 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.424 -0.802 19394 1942 1 12 . 1 1 82 82 ILE H H 82 7.116 7.116 7.354 -0.238 19394 1943 1 12 . 1 1 83 83 GLN N N 83 119.414 119.414 119.668 -0.254 19394 1944 1 12 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.544 0.038 19394 1945 1 12 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.762 -0.449 19394 1946 1 12 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.444 -1.136 19394 1947 1 12 . 1 1 83 83 GLN H H 83 8.039 8.039 8.186 -0.147 19394 1948 1 12 . 1 1 84 84 GLU N N 84 115.831 115.831 118.075 -2.244 19394 1949 1 12 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.049 -0.102 19394 1950 1 12 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.343 -0.523 19394 1951 1 12 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.770 0.191 19394 1952 1 12 . 1 1 84 84 GLU H H 84 8.249 8.249 8.329 -0.080 19394 1953 1 12 . 1 1 85 85 GLU N N 85 121.288 121.288 120.262 1.026 19394 1954 1 12 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.083 -0.082 19394 1955 1 12 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.078 -0.303 19394 1956 1 12 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.770 -0.086 19394 1957 1 12 . 1 1 85 85 GLU H H 85 7.589 7.589 7.336 0.253 19394 1958 1 12 . 1 1 86 86 ILE N N 86 120.118 120.118 119.506 0.612 19394 1959 1 12 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.952 -0.173 19394 1960 1 12 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.758 -1.063 19394 1961 1 12 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.228 -0.505 19394 1962 1 12 . 1 1 86 86 ILE H H 86 8.152 8.152 8.582 -0.430 19394 1963 1 12 . 1 1 87 87 LEU N N 87 118.574 118.574 120.406 -1.832 19394 1964 1 12 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.252 -0.179 19394 1965 1 12 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.168 -0.668 19394 1966 1 12 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.163 0.136 19394 1967 1 12 . 1 1 87 87 LEU H H 87 8.266 8.266 8.283 -0.017 19394 1968 1 12 . 1 1 88 88 SER N N 88 112.968 112.968 112.491 0.477 19394 1969 1 12 . 1 1 88 88 SER HA H 88 4.402 4.402 4.338 0.064 19394 1970 1 12 . 1 1 88 88 SER CA C 88 59.317 59.317 60.336 -1.019 19394 1971 1 12 . 1 1 88 88 SER CB C 88 63.412 63.412 63.804 -0.392 19394 1972 1 12 . 1 1 88 88 SER H H 88 8.081 8.081 7.839 0.242 19394 1973 1 12 . 1 1 89 89 GLY N N 89 110.018 110.018 108.581 1.437 19394 1974 1 12 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.285 0.322 19394 1975 1 12 . 1 1 89 89 GLY H H 89 8.005 8.005 7.587 0.418 19394 1976 1 12 . 1 1 90 90 LYS N N 90 119.834 119.834 118.953 0.881 19394 1977 1 12 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.569 -0.252 19394 1978 1 12 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.720 1.239 19394 1979 1 12 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.589 -1.035 19394 1980 1 12 . 1 1 90 90 LYS H H 90 8.008 8.008 7.382 0.626 19394 1981 1 12 . 1 1 91 91 SER N N 91 115.231 115.231 114.193 1.038 19394 1982 1 12 . 1 1 91 91 SER HA H 91 4.357 4.357 4.171 0.186 19394 1983 1 12 . 1 1 91 91 SER CA C 91 58.171 58.171 58.932 -0.761 19394 1984 1 12 . 1 1 91 91 SER CB C 91 63.087 63.087 62.077 1.010 19394 1985 1 12 . 1 1 91 91 SER H H 91 8.179 8.179 8.786 -0.607 19394 1986 1 12 . 1 1 92 92 ARG N N 92 122.647 122.647 120.984 1.663 19394 1987 1 12 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.390 -0.115 19394 1988 1 12 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.384 0.601 19394 1989 1 12 . 1 1 92 92 ARG H H 92 8.383 8.383 8.231 0.152 19394 1990 1 12 . 1 1 93 93 GLU N N 93 120.781 120.781 121.520 -0.739 19394 1991 1 12 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.263 -0.208 19394 1992 1 12 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.514 0.080 19394 1993 1 12 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.932 -0.484 19394 1994 1 12 . 1 1 93 93 GLU H H 93 8.408 8.408 8.210 0.198 19394 1995 1 12 . 1 1 94 94 LYS N N 94 120.821 120.821 120.849 -0.028 19394 1996 1 12 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.145 0.053 19394 1997 1 12 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.510 -1.475 19394 1998 1 12 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.405 -0.233 19394 1999 1 12 . 1 1 94 94 LYS H H 94 8.148 8.148 8.001 0.147 19394 2000 1 12 . 1 1 95 95 PHE N N 95 120.657 120.657 116.567 4.090 19394 2001 1 12 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.715 -0.153 19394 2002 1 12 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.255 1.086 19394 2003 1 12 . 1 1 95 95 PHE CB C 95 38.844 38.844 39.782 -0.938 19394 2004 1 12 . 1 1 95 95 PHE H H 95 8.172 8.172 7.107 1.065 19394 2005 1 12 . 1 1 96 96 GLN N N 96 121.865 121.865 119.815 2.050 19394 2006 1 12 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.465 -0.182 19394 2007 1 12 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.998 0.432 19394 2008 1 12 . 1 1 96 96 GLN CB C 96 28.936 28.936 29.862 -0.926 19394 2009 1 12 . 1 1 96 96 GLN H H 96 8.256 8.256 8.712 -0.456 19394 2010 1 12 . 1 1 97 97 GLY N N 97 109.195 109.195 111.446 -2.251 19394 2011 1 12 . 1 1 97 97 GLY H H 97 7.926 7.926 8.638 -0.712 19394 2012 1 12 . 1 1 98 98 LYS N N 98 120.394 120.394 125.247 -4.853 19394 2013 1 12 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.611 -0.309 19394 2014 1 12 . 1 1 98 98 LYS CA C 98 55.640 55.640 54.995 0.645 19394 2015 1 12 . 1 1 98 98 LYS CB C 98 32.448 32.448 33.176 -0.728 19394 2016 1 12 . 1 1 98 98 LYS H H 98 8.145 8.145 9.267 -1.122 19394 2017 1 13 . 1 1 63 63 LEU N N 63 122.281 122.281 121.224 1.057 19394 2018 1 13 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.649 -0.421 19394 2019 1 13 . 1 1 63 63 LEU CA C 63 55.193 55.193 53.465 1.728 19394 2020 1 13 . 1 1 63 63 LEU CB C 63 41.424 41.424 42.868 -1.444 19394 2021 1 13 . 1 1 63 63 LEU H H 63 8.343 8.343 8.031 0.312 19394 2022 1 13 . 1 1 64 64 CYS N N 64 118.360 118.360 121.729 -3.369 19394 2023 1 13 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.480 -0.014 19394 2024 1 13 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.429 -0.740 19394 2025 1 13 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.729 -1.214 19394 2026 1 13 . 1 1 64 64 CYS H H 64 8.245 8.245 8.624 -0.379 19394 2027 1 13 . 1 1 65 65 SER N N 65 117.570 117.570 117.887 -0.317 19394 2028 1 13 . 1 1 65 65 SER HA H 65 4.464 4.464 4.632 -0.168 19394 2029 1 13 . 1 1 65 65 SER CA C 65 57.666 57.666 58.015 -0.349 19394 2030 1 13 . 1 1 65 65 SER CB C 65 63.162 63.162 63.624 -0.463 19394 2031 1 13 . 1 1 65 65 SER H H 65 8.163 8.163 7.957 0.206 19394 2032 1 13 . 1 1 66 66 LEU N N 66 123.618 123.618 126.212 -2.594 19394 2033 1 13 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.691 -0.423 19394 2034 1 13 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.080 0.080 19394 2035 1 13 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.602 -1.299 19394 2036 1 13 . 1 1 66 66 LEU H H 66 7.932 7.932 8.263 -0.331 19394 2037 1 13 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.602 -0.279 19394 2038 1 13 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.202 -0.211 19394 2039 1 13 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.469 -1.095 19394 2040 1 13 . 1 1 68 68 GLU N N 68 121.685 121.685 118.614 3.071 19394 2041 1 13 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.066 -0.067 19394 2042 1 13 . 1 1 68 68 GLU CA C 68 57.134 57.134 57.064 0.070 19394 2043 1 13 . 1 1 68 68 GLU CB C 68 29.156 29.156 28.945 0.211 19394 2044 1 13 . 1 1 68 68 GLU H H 68 8.491 8.491 8.270 0.221 19394 2045 1 13 . 1 1 69 69 GLY N N 69 111.116 111.116 109.581 1.535 19394 2046 1 13 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.946 -1.344 19394 2047 1 13 . 1 1 69 69 GLY H H 69 8.648 8.648 8.575 0.073 19394 2048 1 13 . 1 1 70 70 VAL N N 70 118.359 118.359 118.886 -0.527 19394 2049 1 13 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.051 -0.151 19394 2050 1 13 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.691 -1.195 19394 2051 1 13 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.254 -1.057 19394 2052 1 13 . 1 1 70 70 VAL H H 70 7.226 7.226 7.233 -0.007 19394 2053 1 13 . 1 1 71 71 ASP N N 71 127.269 127.269 126.967 0.302 19394 2054 1 13 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.773 -0.256 19394 2055 1 13 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.007 0.320 19394 2056 1 13 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.887 -0.346 19394 2057 1 13 . 1 1 71 71 ASP H H 71 8.683 8.683 8.453 0.230 19394 2058 1 13 . 1 1 72 72 GLN N N 72 127.038 127.038 125.400 1.638 19394 2059 1 13 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.941 -0.123 19394 2060 1 13 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.409 -0.736 19394 2061 1 13 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.833 -0.889 19394 2062 1 13 . 1 1 72 72 GLN H H 72 8.957 8.957 8.973 -0.016 19394 2063 1 13 . 1 1 73 73 GLU N N 73 118.406 118.406 118.328 0.078 19394 2064 1 13 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.069 -0.046 19394 2065 1 13 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.333 -1.145 19394 2066 1 13 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.154 -0.730 19394 2067 1 13 . 1 1 73 73 GLU H H 73 8.230 8.230 8.183 0.047 19394 2068 1 13 . 1 1 74 74 VAL N N 74 119.834 119.834 119.005 0.829 19394 2069 1 13 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.833 -0.548 19394 2070 1 13 . 1 1 74 74 VAL CA C 74 65.383 65.383 64.300 1.083 19394 2071 1 13 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.076 0.068 19394 2072 1 13 . 1 1 74 74 VAL H H 74 7.736 7.736 8.152 -0.416 19394 2073 1 13 . 1 1 75 75 PHE N N 75 118.185 118.185 121.060 -2.875 19394 2074 1 13 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.100 -0.446 19394 2075 1 13 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.263 -1.031 19394 2076 1 13 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.286 0.340 19394 2077 1 13 . 1 1 75 75 PHE H H 75 8.224 8.224 8.457 -0.233 19394 2078 1 13 . 1 1 76 76 LYS N N 76 113.494 113.494 117.049 -3.555 19394 2079 1 13 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.131 -0.336 19394 2080 1 13 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.529 -0.877 19394 2081 1 13 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.558 0.417 19394 2082 1 13 . 1 1 76 76 LYS H H 76 7.628 7.628 8.515 -0.887 19394 2083 1 13 . 1 1 77 77 GLN N N 77 115.735 115.735 117.129 -1.394 19394 2084 1 13 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.281 -0.083 19394 2085 1 13 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.134 -1.667 19394 2086 1 13 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.615 -0.944 19394 2087 1 13 . 1 1 77 77 GLN H H 77 7.471 7.471 7.499 -0.028 19394 2088 1 13 . 1 1 78 78 LEU N N 78 119.615 119.615 121.188 -1.573 19394 2089 1 13 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.390 -0.088 19394 2090 1 13 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.772 -0.839 19394 2091 1 13 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.868 -1.696 19394 2092 1 13 . 1 1 78 78 LEU H H 78 7.083 7.083 7.333 -0.250 19394 2093 1 13 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.507 -0.039 19394 2094 1 13 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.042 -0.537 19394 2095 1 13 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.486 -0.530 19394 2096 1 13 . 1 1 80 80 VAL N N 80 122.107 122.107 121.554 0.553 19394 2097 1 13 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.748 -0.040 19394 2098 1 13 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.311 -0.230 19394 2099 1 13 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.634 -0.463 19394 2100 1 13 . 1 1 80 80 VAL H H 80 8.659 8.659 8.569 0.090 19394 2101 1 13 . 1 1 81 81 ASP N N 81 117.312 117.312 119.262 -1.950 19394 2102 1 13 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.383 -0.029 19394 2103 1 13 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.949 -2.131 19394 2104 1 13 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.358 -1.826 19394 2105 1 13 . 1 1 81 81 ASP H H 81 8.691 8.691 8.667 0.024 19394 2106 1 13 . 1 1 82 82 ILE N N 82 121.282 121.282 118.945 2.337 19394 2107 1 13 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.840 -0.005 19394 2108 1 13 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.469 0.665 19394 2109 1 13 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.073 -0.451 19394 2110 1 13 . 1 1 82 82 ILE H H 82 7.116 7.116 7.357 -0.241 19394 2111 1 13 . 1 1 83 83 GLN N N 83 119.414 119.414 118.881 0.533 19394 2112 1 13 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.806 -0.224 19394 2113 1 13 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.347 -0.035 19394 2114 1 13 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.653 -1.345 19394 2115 1 13 . 1 1 83 83 GLN H H 83 8.039 8.039 8.120 -0.081 19394 2116 1 13 . 1 1 84 84 GLU N N 84 115.831 115.831 118.155 -2.324 19394 2117 1 13 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.238 -0.291 19394 2118 1 13 . 1 1 84 84 GLU CA C 84 58.820 58.820 58.547 0.273 19394 2119 1 13 . 1 1 84 84 GLU CB C 84 28.961 28.961 29.379 -0.418 19394 2120 1 13 . 1 1 84 84 GLU H H 84 8.249 8.249 8.145 0.104 19394 2121 1 13 . 1 1 85 85 GLU N N 85 121.288 121.288 120.928 0.360 19394 2122 1 13 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.130 -0.129 19394 2123 1 13 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.852 -0.077 19394 2124 1 13 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.913 -0.229 19394 2125 1 13 . 1 1 85 85 GLU H H 85 7.589 7.589 7.502 0.087 19394 2126 1 13 . 1 1 86 86 ILE N N 86 120.118 120.118 118.772 1.346 19394 2127 1 13 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.937 -0.158 19394 2128 1 13 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.574 -0.879 19394 2129 1 13 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.358 -0.635 19394 2130 1 13 . 1 1 86 86 ILE H H 86 8.152 8.152 7.847 0.305 19394 2131 1 13 . 1 1 87 87 LEU N N 87 118.574 118.574 121.568 -2.994 19394 2132 1 13 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.377 -0.304 19394 2133 1 13 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.638 -1.138 19394 2134 1 13 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.006 0.293 19394 2135 1 13 . 1 1 87 87 LEU H H 87 8.266 8.266 7.848 0.418 19394 2136 1 13 . 1 1 88 88 SER N N 88 112.968 112.968 112.173 0.795 19394 2137 1 13 . 1 1 88 88 SER HA H 88 4.402 4.402 4.336 0.066 19394 2138 1 13 . 1 1 88 88 SER CA C 88 59.317 59.317 59.904 -0.587 19394 2139 1 13 . 1 1 88 88 SER CB C 88 63.412 63.412 63.864 -0.452 19394 2140 1 13 . 1 1 88 88 SER H H 88 8.081 8.081 7.947 0.134 19394 2141 1 13 . 1 1 89 89 GLY N N 89 110.018 110.018 108.356 1.662 19394 2142 1 13 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.088 0.519 19394 2143 1 13 . 1 1 89 89 GLY H H 89 8.005 8.005 8.111 -0.106 19394 2144 1 13 . 1 1 90 90 LYS N N 90 119.834 119.834 120.448 -0.614 19394 2145 1 13 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.306 0.011 19394 2146 1 13 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.866 0.093 19394 2147 1 13 . 1 1 90 90 LYS CB C 90 32.554 32.554 32.948 -0.394 19394 2148 1 13 . 1 1 90 90 LYS H H 90 8.008 8.008 7.730 0.278 19394 2149 1 13 . 1 1 91 91 SER N N 91 115.231 115.231 112.592 2.639 19394 2150 1 13 . 1 1 91 91 SER HA H 91 4.357 4.357 4.169 0.188 19394 2151 1 13 . 1 1 91 91 SER CA C 91 58.171 58.171 58.915 -0.744 19394 2152 1 13 . 1 1 91 91 SER CB C 91 63.087 63.087 62.355 0.733 19394 2153 1 13 . 1 1 91 91 SER H H 91 8.179 8.179 8.443 -0.264 19394 2154 1 13 . 1 1 92 92 ARG N N 92 122.647 122.647 120.619 2.028 19394 2155 1 13 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.333 -0.058 19394 2156 1 13 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.212 0.773 19394 2157 1 13 . 1 1 92 92 ARG H H 92 8.383 8.383 7.952 0.431 19394 2158 1 13 . 1 1 93 93 GLU N N 93 120.781 120.781 121.475 -0.694 19394 2159 1 13 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.184 -0.129 19394 2160 1 13 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.596 -0.002 19394 2161 1 13 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.701 -0.253 19394 2162 1 13 . 1 1 93 93 GLU H H 93 8.408 8.408 8.412 -0.004 19394 2163 1 13 . 1 1 94 94 LYS N N 94 120.821 120.821 120.761 0.060 19394 2164 1 13 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.146 0.052 19394 2165 1 13 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.226 -1.191 19394 2166 1 13 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.633 -0.461 19394 2167 1 13 . 1 1 94 94 LYS H H 94 8.148 8.148 8.278 -0.130 19394 2168 1 13 . 1 1 95 95 PHE N N 95 120.657 120.657 116.809 3.848 19394 2169 1 13 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.690 -0.128 19394 2170 1 13 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.917 1.424 19394 2171 1 13 . 1 1 95 95 PHE CB C 95 38.844 38.844 39.943 -1.099 19394 2172 1 13 . 1 1 95 95 PHE H H 95 8.172 8.172 7.078 1.094 19394 2173 1 13 . 1 1 96 96 GLN N N 96 121.865 121.865 120.187 1.678 19394 2174 1 13 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.460 -0.177 19394 2175 1 13 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.438 -0.008 19394 2176 1 13 . 1 1 96 96 GLN CB C 96 28.936 28.936 29.337 -0.401 19394 2177 1 13 . 1 1 96 96 GLN H H 96 8.256 8.256 8.673 -0.417 19394 2178 1 13 . 1 1 97 97 GLY N N 97 109.195 109.195 112.672 -3.477 19394 2179 1 13 . 1 1 97 97 GLY H H 97 7.926 7.926 8.580 -0.654 19394 2180 1 13 . 1 1 98 98 LYS N N 98 120.394 120.394 120.326 0.068 19394 2181 1 13 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.660 -0.358 19394 2182 1 13 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.779 -0.139 19394 2183 1 13 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.779 -0.331 19394 2184 1 13 . 1 1 98 98 LYS H H 98 8.145 8.145 8.544 -0.399 19394 2185 1 14 . 1 1 63 63 LEU N N 63 122.281 122.281 125.443 -3.162 19394 2186 1 14 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.389 -0.161 19394 2187 1 14 . 1 1 63 63 LEU CA C 63 55.193 55.193 55.096 0.097 19394 2188 1 14 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.186 0.238 19394 2189 1 14 . 1 1 63 63 LEU H H 63 8.343 8.343 8.676 -0.333 19394 2190 1 14 . 1 1 64 64 CYS N N 64 118.360 118.360 120.556 -2.196 19394 2191 1 14 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.587 -0.121 19394 2192 1 14 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.464 -0.775 19394 2193 1 14 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.605 -2.090 19394 2194 1 14 . 1 1 64 64 CYS H H 64 8.245 8.245 8.174 0.071 19394 2195 1 14 . 1 1 65 65 SER N N 65 117.570 117.570 117.434 0.136 19394 2196 1 14 . 1 1 65 65 SER HA H 65 4.464 4.464 4.666 -0.202 19394 2197 1 14 . 1 1 65 65 SER CA C 65 57.666 57.666 58.171 -0.505 19394 2198 1 14 . 1 1 65 65 SER CB C 65 63.162 63.162 63.739 -0.577 19394 2199 1 14 . 1 1 65 65 SER H H 65 8.163 8.163 8.326 -0.163 19394 2200 1 14 . 1 1 66 66 LEU N N 66 123.618 123.618 125.507 -1.889 19394 2201 1 14 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.772 -0.504 19394 2202 1 14 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.861 0.299 19394 2203 1 14 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.941 -1.638 19394 2204 1 14 . 1 1 66 66 LEU H H 66 7.932 7.932 8.421 -0.489 19394 2205 1 14 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.544 -0.221 19394 2206 1 14 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.115 -0.124 19394 2207 1 14 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.187 -0.813 19394 2208 1 14 . 1 1 68 68 GLU N N 68 121.685 121.685 118.581 3.104 19394 2209 1 14 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.953 0.046 19394 2210 1 14 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.723 0.411 19394 2211 1 14 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.015 0.141 19394 2212 1 14 . 1 1 68 68 GLU H H 68 8.491 8.491 8.305 0.186 19394 2213 1 14 . 1 1 69 69 GLY N N 69 111.116 111.116 110.867 0.249 19394 2214 1 14 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.463 -0.861 19394 2215 1 14 . 1 1 69 69 GLY H H 69 8.648 8.648 8.631 0.017 19394 2216 1 14 . 1 1 70 70 VAL N N 70 118.359 118.359 118.980 -0.621 19394 2217 1 14 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.046 -0.146 19394 2218 1 14 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.569 -1.073 19394 2219 1 14 . 1 1 70 70 VAL CB C 70 32.197 32.197 32.982 -0.785 19394 2220 1 14 . 1 1 70 70 VAL H H 70 7.226 7.226 7.334 -0.108 19394 2221 1 14 . 1 1 71 71 ASP N N 71 127.269 127.269 127.801 -0.532 19394 2222 1 14 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.768 -0.251 19394 2223 1 14 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.035 0.291 19394 2224 1 14 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.909 -0.368 19394 2225 1 14 . 1 1 71 71 ASP H H 71 8.683 8.683 8.444 0.239 19394 2226 1 14 . 1 1 72 72 GLN N N 72 127.038 127.038 125.780 1.258 19394 2227 1 14 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.959 -0.141 19394 2228 1 14 . 1 1 72 72 GLN CA C 72 58.673 58.673 58.808 -0.135 19394 2229 1 14 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.633 -0.689 19394 2230 1 14 . 1 1 72 72 GLN H H 72 8.957 8.957 8.957 0.000 19394 2231 1 14 . 1 1 73 73 GLU N N 73 118.406 118.406 118.697 -0.291 19394 2232 1 14 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.060 -0.037 19394 2233 1 14 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.250 -1.062 19394 2234 1 14 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.412 -0.988 19394 2235 1 14 . 1 1 73 73 GLU H H 73 8.230 8.230 8.118 0.112 19394 2236 1 14 . 1 1 74 74 VAL N N 74 119.834 119.834 118.914 0.920 19394 2237 1 14 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.789 -0.504 19394 2238 1 14 . 1 1 74 74 VAL CA C 74 65.383 65.383 66.110 -0.727 19394 2239 1 14 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.907 -0.763 19394 2240 1 14 . 1 1 74 74 VAL H H 74 7.736 7.736 8.364 -0.628 19394 2241 1 14 . 1 1 75 75 PHE N N 75 118.185 118.185 120.796 -2.611 19394 2242 1 14 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.104 -0.450 19394 2243 1 14 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.108 -0.876 19394 2244 1 14 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.349 0.277 19394 2245 1 14 . 1 1 75 75 PHE H H 75 8.224 8.224 8.464 -0.240 19394 2246 1 14 . 1 1 76 76 LYS N N 76 113.494 113.494 117.352 -3.858 19394 2247 1 14 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.136 -0.341 19394 2248 1 14 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.560 -0.908 19394 2249 1 14 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.640 0.336 19394 2250 1 14 . 1 1 76 76 LYS H H 76 7.628 7.628 8.507 -0.879 19394 2251 1 14 . 1 1 77 77 GLN N N 77 115.735 115.735 117.186 -1.451 19394 2252 1 14 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.261 -0.063 19394 2253 1 14 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.212 -1.745 19394 2254 1 14 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.472 -0.801 19394 2255 1 14 . 1 1 77 77 GLN H H 77 7.471 7.471 7.544 -0.073 19394 2256 1 14 . 1 1 78 78 LEU N N 78 119.615 119.615 121.112 -1.497 19394 2257 1 14 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.362 -0.060 19394 2258 1 14 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.881 -0.948 19394 2259 1 14 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.779 -1.607 19394 2260 1 14 . 1 1 78 78 LEU H H 78 7.083 7.083 7.305 -0.222 19394 2261 1 14 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.548 -0.080 19394 2262 1 14 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.178 -0.673 19394 2263 1 14 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.623 -0.667 19394 2264 1 14 . 1 1 80 80 VAL N N 80 122.107 122.107 120.500 1.607 19394 2265 1 14 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.695 0.013 19394 2266 1 14 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.527 -0.446 19394 2267 1 14 . 1 1 80 80 VAL CB C 80 31.171 31.171 32.033 -0.862 19394 2268 1 14 . 1 1 80 80 VAL H H 80 8.659 8.659 8.522 0.137 19394 2269 1 14 . 1 1 81 81 ASP N N 81 117.312 117.312 119.299 -1.987 19394 2270 1 14 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.396 -0.042 19394 2271 1 14 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.441 -1.623 19394 2272 1 14 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.103 -1.571 19394 2273 1 14 . 1 1 81 81 ASP H H 81 8.691 8.691 8.750 -0.059 19394 2274 1 14 . 1 1 82 82 ILE N N 82 121.282 121.282 119.799 1.483 19394 2275 1 14 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.884 -0.049 19394 2276 1 14 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.144 0.990 19394 2277 1 14 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.072 -0.450 19394 2278 1 14 . 1 1 82 82 ILE H H 82 7.116 7.116 7.390 -0.274 19394 2279 1 14 . 1 1 83 83 GLN N N 83 119.414 119.414 119.741 -0.327 19394 2280 1 14 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.710 -0.128 19394 2281 1 14 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.735 -0.422 19394 2282 1 14 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.744 -1.436 19394 2283 1 14 . 1 1 83 83 GLN H H 83 8.039 8.039 7.985 0.054 19394 2284 1 14 . 1 1 84 84 GLU N N 84 115.831 115.831 118.710 -2.879 19394 2285 1 14 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.111 -0.164 19394 2286 1 14 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.269 -0.449 19394 2287 1 14 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.671 0.290 19394 2288 1 14 . 1 1 84 84 GLU H H 84 8.249 8.249 8.375 -0.126 19394 2289 1 14 . 1 1 85 85 GLU N N 85 121.288 121.288 120.586 0.702 19394 2290 1 14 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.122 -0.121 19394 2291 1 14 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.055 -0.280 19394 2292 1 14 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.754 -0.070 19394 2293 1 14 . 1 1 85 85 GLU H H 85 7.589 7.589 7.509 0.080 19394 2294 1 14 . 1 1 86 86 ILE N N 86 120.118 120.118 119.190 0.928 19394 2295 1 14 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.944 -0.165 19394 2296 1 14 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.561 -0.866 19394 2297 1 14 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.329 -0.606 19394 2298 1 14 . 1 1 86 86 ILE H H 86 8.152 8.152 7.790 0.362 19394 2299 1 14 . 1 1 87 87 LEU N N 87 118.574 118.574 120.067 -1.493 19394 2300 1 14 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.219 -0.146 19394 2301 1 14 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.162 -0.662 19394 2302 1 14 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.124 0.175 19394 2303 1 14 . 1 1 87 87 LEU H H 87 8.266 8.266 7.966 0.300 19394 2304 1 14 . 1 1 88 88 SER N N 88 112.968 112.968 112.405 0.563 19394 2305 1 14 . 1 1 88 88 SER HA H 88 4.402 4.402 4.343 0.059 19394 2306 1 14 . 1 1 88 88 SER CA C 88 59.317 59.317 60.275 -0.958 19394 2307 1 14 . 1 1 88 88 SER CB C 88 63.412 63.412 63.938 -0.526 19394 2308 1 14 . 1 1 88 88 SER H H 88 8.081 8.081 7.786 0.295 19394 2309 1 14 . 1 1 89 89 GLY N N 89 110.018 110.018 109.656 0.362 19394 2310 1 14 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.183 0.424 19394 2311 1 14 . 1 1 89 89 GLY H H 89 8.005 8.005 7.776 0.229 19394 2312 1 14 . 1 1 90 90 LYS N N 90 119.834 119.834 120.261 -0.427 19394 2313 1 14 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.473 -0.156 19394 2314 1 14 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.865 1.094 19394 2315 1 14 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.624 -1.071 19394 2316 1 14 . 1 1 90 90 LYS H H 90 8.008 8.008 7.305 0.703 19394 2317 1 14 . 1 1 91 91 SER N N 91 115.231 115.231 113.012 2.219 19394 2318 1 14 . 1 1 91 91 SER HA H 91 4.357 4.357 4.081 0.276 19394 2319 1 14 . 1 1 91 91 SER CA C 91 58.171 58.171 58.973 -0.802 19394 2320 1 14 . 1 1 91 91 SER CB C 91 63.087 63.087 61.820 1.267 19394 2321 1 14 . 1 1 91 91 SER H H 91 8.179 8.179 8.668 -0.489 19394 2322 1 14 . 1 1 92 92 ARG N N 92 122.647 122.647 120.971 1.676 19394 2323 1 14 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.351 -0.076 19394 2324 1 14 . 1 1 92 92 ARG CA C 92 55.985 55.985 54.962 1.024 19394 2325 1 14 . 1 1 92 92 ARG H H 92 8.383 8.383 7.928 0.455 19394 2326 1 14 . 1 1 93 93 GLU N N 93 120.781 120.781 121.682 -0.901 19394 2327 1 14 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.151 -0.096 19394 2328 1 14 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.334 0.260 19394 2329 1 14 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.916 -0.468 19394 2330 1 14 . 1 1 93 93 GLU H H 93 8.408 8.408 8.481 -0.073 19394 2331 1 14 . 1 1 94 94 LYS N N 94 120.821 120.821 120.706 0.115 19394 2332 1 14 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.171 0.027 19394 2333 1 14 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.535 -1.500 19394 2334 1 14 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.748 -0.576 19394 2335 1 14 . 1 1 94 94 LYS H H 94 8.148 8.148 8.324 -0.176 19394 2336 1 14 . 1 1 95 95 PHE N N 95 120.657 120.657 115.489 5.168 19394 2337 1 14 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.759 -0.197 19394 2338 1 14 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.456 1.885 19394 2339 1 14 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.386 -1.542 19394 2340 1 14 . 1 1 95 95 PHE H H 95 8.172 8.172 7.080 1.092 19394 2341 1 14 . 1 1 96 96 GLN N N 96 121.865 121.865 119.978 1.887 19394 2342 1 14 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.575 -0.292 19394 2343 1 14 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.437 0.993 19394 2344 1 14 . 1 1 96 96 GLN CB C 96 28.936 28.936 30.844 -1.908 19394 2345 1 14 . 1 1 96 96 GLN H H 96 8.256 8.256 8.618 -0.362 19394 2346 1 14 . 1 1 97 97 GLY N N 97 109.195 109.195 109.050 0.145 19394 2347 1 14 . 1 1 97 97 GLY H H 97 7.926 7.926 8.560 -0.634 19394 2348 1 14 . 1 1 98 98 LYS N N 98 120.394 120.394 119.726 0.668 19394 2349 1 14 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.516 -0.214 19394 2350 1 14 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.806 -0.166 19394 2351 1 14 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.997 0.451 19394 2352 1 14 . 1 1 98 98 LYS H H 98 8.145 8.145 8.490 -0.345 19394 2353 1 15 . 1 1 63 63 LEU N N 63 122.281 122.281 118.971 3.310 19394 2354 1 15 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.793 -0.565 19394 2355 1 15 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.325 0.868 19394 2356 1 15 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.451 -0.027 19394 2357 1 15 . 1 1 63 63 LEU H H 63 8.343 8.343 7.777 0.566 19394 2358 1 15 . 1 1 64 64 CYS N N 64 118.360 118.360 118.523 -0.163 19394 2359 1 15 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.299 0.167 19394 2360 1 15 . 1 1 64 64 CYS CA C 64 57.689 57.689 59.764 -2.075 19394 2361 1 15 . 1 1 64 64 CYS CB C 64 27.515 27.515 28.115 -0.600 19394 2362 1 15 . 1 1 64 64 CYS H H 64 8.245 8.245 7.716 0.529 19394 2363 1 15 . 1 1 65 65 SER N N 65 117.570 117.570 117.044 0.526 19394 2364 1 15 . 1 1 65 65 SER HA H 65 4.464 4.464 4.581 -0.117 19394 2365 1 15 . 1 1 65 65 SER CA C 65 57.666 57.666 58.063 -0.397 19394 2366 1 15 . 1 1 65 65 SER CB C 65 63.162 63.162 63.286 -0.124 19394 2367 1 15 . 1 1 65 65 SER H H 65 8.163 8.163 8.149 0.014 19394 2368 1 15 . 1 1 66 66 LEU N N 66 123.618 123.618 126.339 -2.721 19394 2369 1 15 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.638 -0.370 19394 2370 1 15 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.022 0.139 19394 2371 1 15 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.047 -0.744 19394 2372 1 15 . 1 1 66 66 LEU H H 66 7.932 7.932 8.096 -0.164 19394 2373 1 15 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.573 -0.250 19394 2374 1 15 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.181 -0.190 19394 2375 1 15 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.311 -0.937 19394 2376 1 15 . 1 1 68 68 GLU N N 68 121.685 121.685 118.080 3.605 19394 2377 1 15 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.013 -0.014 19394 2378 1 15 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.937 0.197 19394 2379 1 15 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.271 -0.115 19394 2380 1 15 . 1 1 68 68 GLU H H 68 8.491 8.491 8.445 0.046 19394 2381 1 15 . 1 1 69 69 GLY N N 69 111.116 111.116 110.940 0.176 19394 2382 1 15 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.605 -1.003 19394 2383 1 15 . 1 1 69 69 GLY H H 69 8.648 8.648 8.705 -0.057 19394 2384 1 15 . 1 1 70 70 VAL N N 70 118.359 118.359 119.088 -0.729 19394 2385 1 15 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.084 -0.184 19394 2386 1 15 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.585 -1.089 19394 2387 1 15 . 1 1 70 70 VAL CB C 70 32.197 32.197 32.994 -0.797 19394 2388 1 15 . 1 1 70 70 VAL H H 70 7.226 7.226 7.398 -0.172 19394 2389 1 15 . 1 1 71 71 ASP N N 71 127.269 127.269 127.514 -0.245 19394 2390 1 15 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.801 -0.284 19394 2391 1 15 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.026 0.300 19394 2392 1 15 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.868 -0.327 19394 2393 1 15 . 1 1 71 71 ASP H H 71 8.683 8.683 8.467 0.215 19394 2394 1 15 . 1 1 72 72 GLN N N 72 127.038 127.038 126.357 0.681 19394 2395 1 15 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.903 -0.085 19394 2396 1 15 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.272 -0.599 19394 2397 1 15 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.781 -0.837 19394 2398 1 15 . 1 1 72 72 GLN H H 72 8.957 8.957 8.986 -0.029 19394 2399 1 15 . 1 1 73 73 GLU N N 73 118.406 118.406 118.222 0.184 19394 2400 1 15 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.060 -0.037 19394 2401 1 15 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.351 -1.163 19394 2402 1 15 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.506 -1.082 19394 2403 1 15 . 1 1 73 73 GLU H H 73 8.230 8.230 8.144 0.086 19394 2404 1 15 . 1 1 74 74 VAL N N 74 119.834 119.834 118.177 1.657 19394 2405 1 15 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.890 -0.605 19394 2406 1 15 . 1 1 74 74 VAL CA C 74 65.383 65.383 63.823 1.560 19394 2407 1 15 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.382 -0.238 19394 2408 1 15 . 1 1 74 74 VAL H H 74 7.736 7.736 7.772 -0.036 19394 2409 1 15 . 1 1 75 75 PHE N N 75 118.185 118.185 121.541 -3.356 19394 2410 1 15 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.109 -0.455 19394 2411 1 15 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.115 -0.883 19394 2412 1 15 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.366 0.260 19394 2413 1 15 . 1 1 75 75 PHE H H 75 8.224 8.224 8.540 -0.316 19394 2414 1 15 . 1 1 76 76 LYS N N 76 113.494 113.494 117.452 -3.958 19394 2415 1 15 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.147 -0.352 19394 2416 1 15 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.571 -0.919 19394 2417 1 15 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.685 0.291 19394 2418 1 15 . 1 1 76 76 LYS H H 76 7.628 7.628 8.610 -0.982 19394 2419 1 15 . 1 1 77 77 GLN N N 77 115.735 115.735 117.116 -1.381 19394 2420 1 15 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.274 -0.076 19394 2421 1 15 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.138 -1.671 19394 2422 1 15 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.503 -0.832 19394 2423 1 15 . 1 1 77 77 GLN H H 77 7.471 7.471 7.564 -0.093 19394 2424 1 15 . 1 1 78 78 LEU N N 78 119.615 119.615 121.218 -1.603 19394 2425 1 15 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.380 -0.078 19394 2426 1 15 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.790 -0.857 19394 2427 1 15 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.831 -1.658 19394 2428 1 15 . 1 1 78 78 LEU H H 78 7.083 7.083 7.323 -0.240 19394 2429 1 15 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.492 -0.024 19394 2430 1 15 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.101 -0.596 19394 2431 1 15 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.563 -0.607 19394 2432 1 15 . 1 1 80 80 VAL N N 80 122.107 122.107 120.793 1.314 19394 2433 1 15 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.692 0.016 19394 2434 1 15 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.452 -0.371 19394 2435 1 15 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.974 -0.802 19394 2436 1 15 . 1 1 80 80 VAL H H 80 8.659 8.659 8.486 0.173 19394 2437 1 15 . 1 1 81 81 ASP N N 81 117.312 117.312 118.180 -0.868 19394 2438 1 15 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.378 -0.024 19394 2439 1 15 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.836 -2.018 19394 2440 1 15 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.293 -1.761 19394 2441 1 15 . 1 1 81 81 ASP H H 81 8.691 8.691 8.655 0.036 19394 2442 1 15 . 1 1 82 82 ILE N N 82 121.282 121.282 119.157 2.125 19394 2443 1 15 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.953 -0.118 19394 2444 1 15 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.918 1.216 19394 2445 1 15 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.203 -0.581 19394 2446 1 15 . 1 1 82 82 ILE H H 82 7.116 7.116 7.341 -0.225 19394 2447 1 15 . 1 1 83 83 GLN N N 83 119.414 119.414 119.071 0.343 19394 2448 1 15 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.677 -0.095 19394 2449 1 15 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.311 0.002 19394 2450 1 15 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.614 -1.306 19394 2451 1 15 . 1 1 83 83 GLN H H 83 8.039 8.039 7.871 0.168 19394 2452 1 15 . 1 1 84 84 GLU N N 84 115.831 115.831 118.276 -2.445 19394 2453 1 15 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.150 -0.203 19394 2454 1 15 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.045 -0.225 19394 2455 1 15 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.974 -0.013 19394 2456 1 15 . 1 1 84 84 GLU H H 84 8.249 8.249 8.323 -0.074 19394 2457 1 15 . 1 1 85 85 GLU N N 85 121.288 121.288 121.042 0.246 19394 2458 1 15 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.149 -0.148 19394 2459 1 15 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.948 -0.173 19394 2460 1 15 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.879 -0.195 19394 2461 1 15 . 1 1 85 85 GLU H H 85 7.589 7.589 7.484 0.105 19394 2462 1 15 . 1 1 86 86 ILE N N 86 120.118 120.118 119.063 1.055 19394 2463 1 15 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.990 -0.211 19394 2464 1 15 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.484 -0.789 19394 2465 1 15 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.222 -0.499 19394 2466 1 15 . 1 1 86 86 ILE H H 86 8.152 8.152 7.912 0.240 19394 2467 1 15 . 1 1 87 87 LEU N N 87 118.574 118.574 120.816 -2.242 19394 2468 1 15 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.261 -0.188 19394 2469 1 15 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.208 -0.708 19394 2470 1 15 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.362 -0.063 19394 2471 1 15 . 1 1 87 87 LEU H H 87 8.266 8.266 7.611 0.655 19394 2472 1 15 . 1 1 88 88 SER N N 88 112.968 112.968 113.206 -0.238 19394 2473 1 15 . 1 1 88 88 SER HA H 88 4.402 4.402 4.324 0.078 19394 2474 1 15 . 1 1 88 88 SER CA C 88 59.317 59.317 60.242 -0.925 19394 2475 1 15 . 1 1 88 88 SER CB C 88 63.412 63.412 63.727 -0.316 19394 2476 1 15 . 1 1 88 88 SER H H 88 8.081 8.081 7.667 0.414 19394 2477 1 15 . 1 1 89 89 GLY N N 89 110.018 110.018 107.867 2.151 19394 2478 1 15 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.313 0.294 19394 2479 1 15 . 1 1 89 89 GLY H H 89 8.005 8.005 7.570 0.435 19394 2480 1 15 . 1 1 90 90 LYS N N 90 119.834 119.834 118.969 0.865 19394 2481 1 15 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.570 -0.253 19394 2482 1 15 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.596 1.363 19394 2483 1 15 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.705 -1.151 19394 2484 1 15 . 1 1 90 90 LYS H H 90 8.008 8.008 7.400 0.608 19394 2485 1 15 . 1 1 91 91 SER N N 91 115.231 115.231 113.271 1.960 19394 2486 1 15 . 1 1 91 91 SER HA H 91 4.357 4.357 4.106 0.251 19394 2487 1 15 . 1 1 91 91 SER CA C 91 58.171 58.171 58.895 -0.724 19394 2488 1 15 . 1 1 91 91 SER CB C 91 63.087 63.087 62.006 1.081 19394 2489 1 15 . 1 1 91 91 SER H H 91 8.179 8.179 8.705 -0.526 19394 2490 1 15 . 1 1 92 92 ARG N N 92 122.647 122.647 121.659 0.988 19394 2491 1 15 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.384 -0.109 19394 2492 1 15 . 1 1 92 92 ARG CA C 92 55.985 55.985 54.899 1.086 19394 2493 1 15 . 1 1 92 92 ARG H H 92 8.383 8.383 8.091 0.292 19394 2494 1 15 . 1 1 93 93 GLU N N 93 120.781 120.781 120.128 0.653 19394 2495 1 15 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.114 -0.059 19394 2496 1 15 . 1 1 93 93 GLU CA C 93 56.594 56.594 57.207 -0.613 19394 2497 1 15 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.572 -0.124 19394 2498 1 15 . 1 1 93 93 GLU H H 93 8.408 8.408 8.218 0.190 19394 2499 1 15 . 1 1 94 94 LYS N N 94 120.821 120.821 120.784 0.037 19394 2500 1 15 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.065 0.133 19394 2501 1 15 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.628 -1.593 19394 2502 1 15 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.506 -0.334 19394 2503 1 15 . 1 1 94 94 LYS H H 94 8.148 8.148 8.288 -0.140 19394 2504 1 15 . 1 1 95 95 PHE N N 95 120.657 120.657 113.433 7.224 19394 2505 1 15 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.761 -0.199 19394 2506 1 15 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.057 1.284 19394 2507 1 15 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.562 -1.718 19394 2508 1 15 . 1 1 95 95 PHE H H 95 8.172 8.172 6.990 1.182 19394 2509 1 15 . 1 1 96 96 GLN N N 96 121.865 121.865 120.339 1.526 19394 2510 1 15 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.468 -0.185 19394 2511 1 15 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.953 0.477 19394 2512 1 15 . 1 1 96 96 GLN CB C 96 28.936 28.936 29.656 -0.720 19394 2513 1 15 . 1 1 96 96 GLN H H 96 8.256 8.256 8.641 -0.385 19394 2514 1 15 . 1 1 97 97 GLY N N 97 109.195 109.195 111.292 -2.097 19394 2515 1 15 . 1 1 97 97 GLY H H 97 7.926 7.926 8.639 -0.713 19394 2516 1 15 . 1 1 98 98 LYS N N 98 120.394 120.394 126.603 -6.209 19394 2517 1 15 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.561 -0.259 19394 2518 1 15 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.019 -0.379 19394 2519 1 15 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.593 -0.145 19394 2520 1 15 . 1 1 98 98 LYS H H 98 8.145 8.145 8.530 -0.385 19394 2521 1 16 . 1 1 63 63 LEU N N 63 122.281 122.281 119.265 3.016 19394 2522 1 16 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.488 -0.260 19394 2523 1 16 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.465 0.728 19394 2524 1 16 . 1 1 63 63 LEU CB C 63 41.424 41.424 39.953 1.471 19394 2525 1 16 . 1 1 63 63 LEU H H 63 8.343 8.343 8.462 -0.119 19394 2526 1 16 . 1 1 64 64 CYS N N 64 118.360 118.360 119.070 -0.710 19394 2527 1 16 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.390 0.076 19394 2528 1 16 . 1 1 64 64 CYS CA C 64 57.689 57.689 59.094 -1.405 19394 2529 1 16 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.406 -1.891 19394 2530 1 16 . 1 1 64 64 CYS H H 64 8.245 8.245 7.636 0.609 19394 2531 1 16 . 1 1 65 65 SER N N 65 117.570 117.570 118.088 -0.518 19394 2532 1 16 . 1 1 65 65 SER HA H 65 4.464 4.464 4.663 -0.199 19394 2533 1 16 . 1 1 65 65 SER CA C 65 57.666 57.666 57.952 -0.285 19394 2534 1 16 . 1 1 65 65 SER CB C 65 63.162 63.162 63.149 0.013 19394 2535 1 16 . 1 1 65 65 SER H H 65 8.163 8.163 8.182 -0.019 19394 2536 1 16 . 1 1 66 66 LEU N N 66 123.618 123.618 126.111 -2.493 19394 2537 1 16 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.631 -0.363 19394 2538 1 16 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.991 0.169 19394 2539 1 16 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.267 -0.963 19394 2540 1 16 . 1 1 66 66 LEU H H 66 7.932 7.932 8.260 -0.328 19394 2541 1 16 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.551 -0.228 19394 2542 1 16 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.259 -0.268 19394 2543 1 16 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.354 -0.980 19394 2544 1 16 . 1 1 68 68 GLU N N 68 121.685 121.685 118.946 2.739 19394 2545 1 16 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.979 0.020 19394 2546 1 16 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.845 0.289 19394 2547 1 16 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.103 0.053 19394 2548 1 16 . 1 1 68 68 GLU H H 68 8.491 8.491 8.396 0.095 19394 2549 1 16 . 1 1 69 69 GLY N N 69 111.116 111.116 110.504 0.612 19394 2550 1 16 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.523 -0.921 19394 2551 1 16 . 1 1 69 69 GLY H H 69 8.648 8.648 8.633 0.015 19394 2552 1 16 . 1 1 70 70 VAL N N 70 118.359 118.359 118.281 0.078 19394 2553 1 16 . 1 1 70 70 VAL HA H 70 3.900 3.900 3.985 -0.085 19394 2554 1 16 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.796 -1.300 19394 2555 1 16 . 1 1 70 70 VAL CB C 70 32.197 32.197 32.902 -0.705 19394 2556 1 16 . 1 1 70 70 VAL H H 70 7.226 7.226 7.175 0.051 19394 2557 1 16 . 1 1 71 71 ASP N N 71 127.269 127.269 126.988 0.281 19394 2558 1 16 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.765 -0.248 19394 2559 1 16 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.109 0.217 19394 2560 1 16 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.967 -0.426 19394 2561 1 16 . 1 1 71 71 ASP H H 71 8.683 8.683 8.448 0.235 19394 2562 1 16 . 1 1 72 72 GLN N N 72 127.038 127.038 125.485 1.553 19394 2563 1 16 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.929 -0.111 19394 2564 1 16 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.407 -0.734 19394 2565 1 16 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.846 -0.902 19394 2566 1 16 . 1 1 72 72 GLN H H 72 8.957 8.957 8.976 -0.019 19394 2567 1 16 . 1 1 73 73 GLU N N 73 118.406 118.406 118.610 -0.204 19394 2568 1 16 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.057 -0.034 19394 2569 1 16 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.250 -1.062 19394 2570 1 16 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.462 -1.038 19394 2571 1 16 . 1 1 73 73 GLU H H 73 8.230 8.230 8.148 0.082 19394 2572 1 16 . 1 1 74 74 VAL N N 74 119.834 119.834 118.697 1.137 19394 2573 1 16 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.797 -0.512 19394 2574 1 16 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.896 -0.513 19394 2575 1 16 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.960 -0.816 19394 2576 1 16 . 1 1 74 74 VAL H H 74 7.736 7.736 8.246 -0.510 19394 2577 1 16 . 1 1 75 75 PHE N N 75 118.185 118.185 120.674 -2.489 19394 2578 1 16 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.111 -0.457 19394 2579 1 16 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.098 -0.866 19394 2580 1 16 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.385 0.241 19394 2581 1 16 . 1 1 75 75 PHE H H 75 8.224 8.224 8.450 -0.226 19394 2582 1 16 . 1 1 76 76 LYS N N 76 113.494 113.494 117.515 -4.021 19394 2583 1 16 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.114 -0.319 19394 2584 1 16 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.563 -0.911 19394 2585 1 16 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.645 0.331 19394 2586 1 16 . 1 1 76 76 LYS H H 76 7.628 7.628 8.533 -0.905 19394 2587 1 16 . 1 1 77 77 GLN N N 77 115.735 115.735 117.155 -1.420 19394 2588 1 16 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.260 -0.062 19394 2589 1 16 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.192 -1.725 19394 2590 1 16 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.464 -0.793 19394 2591 1 16 . 1 1 77 77 GLN H H 77 7.471 7.471 7.563 -0.092 19394 2592 1 16 . 1 1 78 78 LEU N N 78 119.615 119.615 121.158 -1.543 19394 2593 1 16 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.393 -0.091 19394 2594 1 16 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.725 -0.792 19394 2595 1 16 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.793 -1.620 19394 2596 1 16 . 1 1 78 78 LEU H H 78 7.083 7.083 7.341 -0.258 19394 2597 1 16 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.499 -0.031 19394 2598 1 16 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.144 -0.639 19394 2599 1 16 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.594 -0.638 19394 2600 1 16 . 1 1 80 80 VAL N N 80 122.107 122.107 121.163 0.944 19394 2601 1 16 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.684 0.024 19394 2602 1 16 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.849 -0.768 19394 2603 1 16 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.997 -0.826 19394 2604 1 16 . 1 1 80 80 VAL H H 80 8.659 8.659 8.525 0.134 19394 2605 1 16 . 1 1 81 81 ASP N N 81 117.312 117.312 118.685 -1.373 19394 2606 1 16 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.378 -0.024 19394 2607 1 16 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.605 -1.787 19394 2608 1 16 . 1 1 81 81 ASP CB C 81 38.532 38.532 39.881 -1.349 19394 2609 1 16 . 1 1 81 81 ASP H H 81 8.691 8.691 8.811 -0.120 19394 2610 1 16 . 1 1 82 82 ILE N N 82 121.282 121.282 119.599 1.683 19394 2611 1 16 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.978 -0.143 19394 2612 1 16 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.979 1.155 19394 2613 1 16 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.268 -0.646 19394 2614 1 16 . 1 1 82 82 ILE H H 82 7.116 7.116 7.367 -0.251 19394 2615 1 16 . 1 1 83 83 GLN N N 83 119.414 119.414 119.913 -0.499 19394 2616 1 16 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.604 -0.022 19394 2617 1 16 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.719 -0.406 19394 2618 1 16 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.645 -1.337 19394 2619 1 16 . 1 1 83 83 GLN H H 83 8.039 8.039 7.972 0.067 19394 2620 1 16 . 1 1 84 84 GLU N N 84 115.831 115.831 118.864 -3.033 19394 2621 1 16 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.032 -0.085 19394 2622 1 16 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.495 -0.675 19394 2623 1 16 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.596 0.364 19394 2624 1 16 . 1 1 84 84 GLU H H 84 8.249 8.249 8.605 -0.356 19394 2625 1 16 . 1 1 85 85 GLU N N 85 121.288 121.288 120.422 0.866 19394 2626 1 16 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.098 -0.097 19394 2627 1 16 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.103 -0.328 19394 2628 1 16 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.697 -0.013 19394 2629 1 16 . 1 1 85 85 GLU H H 85 7.589 7.589 7.485 0.104 19394 2630 1 16 . 1 1 86 86 ILE N N 86 120.118 120.118 119.049 1.069 19394 2631 1 16 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.959 -0.180 19394 2632 1 16 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.610 -0.915 19394 2633 1 16 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.351 -0.628 19394 2634 1 16 . 1 1 86 86 ILE H H 86 8.152 8.152 7.905 0.247 19394 2635 1 16 . 1 1 87 87 LEU N N 87 118.574 118.574 120.267 -1.693 19394 2636 1 16 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.246 -0.173 19394 2637 1 16 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.159 -0.659 19394 2638 1 16 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.319 -0.020 19394 2639 1 16 . 1 1 87 87 LEU H H 87 8.266 8.266 8.274 -0.008 19394 2640 1 16 . 1 1 88 88 SER N N 88 112.968 112.968 112.309 0.659 19394 2641 1 16 . 1 1 88 88 SER HA H 88 4.402 4.402 4.333 0.069 19394 2642 1 16 . 1 1 88 88 SER CA C 88 59.317 59.317 60.461 -1.144 19394 2643 1 16 . 1 1 88 88 SER CB C 88 63.412 63.412 63.924 -0.512 19394 2644 1 16 . 1 1 88 88 SER H H 88 8.081 8.081 8.096 -0.015 19394 2645 1 16 . 1 1 89 89 GLY N N 89 110.018 110.018 108.786 1.232 19394 2646 1 16 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.333 0.274 19394 2647 1 16 . 1 1 89 89 GLY H H 89 8.005 8.005 7.448 0.557 19394 2648 1 16 . 1 1 90 90 LYS N N 90 119.834 119.834 119.115 0.719 19394 2649 1 16 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.583 -0.266 19394 2650 1 16 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.768 1.191 19394 2651 1 16 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.781 -1.227 19394 2652 1 16 . 1 1 90 90 LYS H H 90 8.008 8.008 7.363 0.645 19394 2653 1 16 . 1 1 91 91 SER N N 91 115.231 115.231 113.158 2.073 19394 2654 1 16 . 1 1 91 91 SER HA H 91 4.357 4.357 4.107 0.250 19394 2655 1 16 . 1 1 91 91 SER CA C 91 58.171 58.171 59.442 -1.271 19394 2656 1 16 . 1 1 91 91 SER CB C 91 63.087 63.087 61.737 1.350 19394 2657 1 16 . 1 1 91 91 SER H H 91 8.179 8.179 8.682 -0.503 19394 2658 1 16 . 1 1 92 92 ARG N N 92 122.647 122.647 120.035 2.612 19394 2659 1 16 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.341 -0.066 19394 2660 1 16 . 1 1 92 92 ARG CA C 92 55.985 55.985 54.878 1.107 19394 2661 1 16 . 1 1 92 92 ARG H H 92 8.383 8.383 7.982 0.401 19394 2662 1 16 . 1 1 93 93 GLU N N 93 120.781 120.781 118.683 2.098 19394 2663 1 16 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.290 -0.235 19394 2664 1 16 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.345 0.249 19394 2665 1 16 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.464 -0.016 19394 2666 1 16 . 1 1 93 93 GLU H H 93 8.408 8.408 8.132 0.276 19394 2667 1 16 . 1 1 94 94 LYS N N 94 120.821 120.821 120.335 0.486 19394 2668 1 16 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.242 -0.044 19394 2669 1 16 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.301 -1.266 19394 2670 1 16 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.620 -0.448 19394 2671 1 16 . 1 1 94 94 LYS H H 94 8.148 8.148 8.161 -0.013 19394 2672 1 16 . 1 1 95 95 PHE N N 95 120.657 120.657 117.451 3.206 19394 2673 1 16 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.943 -0.381 19394 2674 1 16 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.708 1.633 19394 2675 1 16 . 1 1 95 95 PHE CB C 95 38.844 38.844 39.394 -0.550 19394 2676 1 16 . 1 1 95 95 PHE H H 95 8.172 8.172 6.821 1.351 19394 2677 1 16 . 1 1 96 96 GLN N N 96 121.865 121.865 120.147 1.718 19394 2678 1 16 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.343 -0.060 19394 2679 1 16 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.667 -0.237 19394 2680 1 16 . 1 1 96 96 GLN CB C 96 28.936 28.936 28.422 0.514 19394 2681 1 16 . 1 1 96 96 GLN H H 96 8.256 8.256 8.754 -0.498 19394 2682 1 16 . 1 1 97 97 GLY N N 97 109.195 109.195 111.030 -1.835 19394 2683 1 16 . 1 1 97 97 GLY H H 97 7.926 7.926 8.557 -0.631 19394 2684 1 16 . 1 1 98 98 LYS N N 98 120.394 120.394 126.582 -6.188 19394 2685 1 16 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.148 0.154 19394 2686 1 16 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.764 -1.125 19394 2687 1 16 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.514 0.934 19394 2688 1 16 . 1 1 98 98 LYS H H 98 8.145 8.145 8.483 -0.338 19394 2689 1 17 . 1 1 63 63 LEU N N 63 122.281 122.281 121.223 1.058 19394 2690 1 17 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.480 -0.252 19394 2691 1 17 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.439 0.754 19394 2692 1 17 . 1 1 63 63 LEU CB C 63 41.424 41.424 40.251 1.173 19394 2693 1 17 . 1 1 63 63 LEU H H 63 8.343 8.343 8.226 0.117 19394 2694 1 17 . 1 1 64 64 CYS N N 64 118.360 118.360 118.099 0.261 19394 2695 1 17 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.426 0.040 19394 2696 1 17 . 1 1 64 64 CYS CA C 64 57.689 57.689 59.277 -1.588 19394 2697 1 17 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.093 -1.579 19394 2698 1 17 . 1 1 64 64 CYS H H 64 8.245 8.245 7.898 0.347 19394 2699 1 17 . 1 1 65 65 SER N N 65 117.570 117.570 116.267 1.303 19394 2700 1 17 . 1 1 65 65 SER HA H 65 4.464 4.464 4.604 -0.140 19394 2701 1 17 . 1 1 65 65 SER CA C 65 57.666 57.666 57.806 -0.140 19394 2702 1 17 . 1 1 65 65 SER CB C 65 63.162 63.162 63.421 -0.259 19394 2703 1 17 . 1 1 65 65 SER H H 65 8.163 8.163 8.000 0.163 19394 2704 1 17 . 1 1 66 66 LEU N N 66 123.618 123.618 126.339 -2.721 19394 2705 1 17 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.596 -0.328 19394 2706 1 17 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.937 0.223 19394 2707 1 17 . 1 1 66 66 LEU CB C 66 41.303 41.303 41.995 -0.692 19394 2708 1 17 . 1 1 66 66 LEU H H 66 7.932 7.932 8.274 -0.342 19394 2709 1 17 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.567 -0.244 19394 2710 1 17 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.180 -0.189 19394 2711 1 17 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.315 -0.941 19394 2712 1 17 . 1 1 68 68 GLU N N 68 121.685 121.685 117.917 3.768 19394 2713 1 17 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.025 -0.026 19394 2714 1 17 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.990 0.144 19394 2715 1 17 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.354 -0.198 19394 2716 1 17 . 1 1 68 68 GLU H H 68 8.491 8.491 8.481 0.010 19394 2717 1 17 . 1 1 69 69 GLY N N 69 111.116 111.116 110.678 0.438 19394 2718 1 17 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.621 -1.019 19394 2719 1 17 . 1 1 69 69 GLY H H 69 8.648 8.648 8.698 -0.050 19394 2720 1 17 . 1 1 70 70 VAL N N 70 118.359 118.359 119.078 -0.719 19394 2721 1 17 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.115 -0.215 19394 2722 1 17 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.516 -1.020 19394 2723 1 17 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.016 -0.819 19394 2724 1 17 . 1 1 70 70 VAL H H 70 7.226 7.226 7.389 -0.163 19394 2725 1 17 . 1 1 71 71 ASP N N 71 127.269 127.269 127.550 -0.281 19394 2726 1 17 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.792 -0.275 19394 2727 1 17 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.959 0.367 19394 2728 1 17 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.908 -0.367 19394 2729 1 17 . 1 1 71 71 ASP H H 71 8.683 8.683 8.496 0.187 19394 2730 1 17 . 1 1 72 72 GLN N N 72 127.038 127.038 125.549 1.489 19394 2731 1 17 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.944 -0.126 19394 2732 1 17 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.027 -0.354 19394 2733 1 17 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.776 -0.832 19394 2734 1 17 . 1 1 72 72 GLN H H 72 8.957 8.957 8.963 -0.006 19394 2735 1 17 . 1 1 73 73 GLU N N 73 118.406 118.406 118.688 -0.282 19394 2736 1 17 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.064 -0.041 19394 2737 1 17 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.258 -1.071 19394 2738 1 17 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.403 -0.979 19394 2739 1 17 . 1 1 73 73 GLU H H 73 8.230 8.230 8.130 0.100 19394 2740 1 17 . 1 1 74 74 VAL N N 74 119.834 119.834 118.363 1.471 19394 2741 1 17 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.822 -0.537 19394 2742 1 17 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.731 -0.348 19394 2743 1 17 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.718 -0.574 19394 2744 1 17 . 1 1 74 74 VAL H H 74 7.736 7.736 7.983 -0.247 19394 2745 1 17 . 1 1 75 75 PHE N N 75 118.185 118.185 121.019 -2.834 19394 2746 1 17 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.121 -0.467 19394 2747 1 17 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.213 -0.981 19394 2748 1 17 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.292 0.334 19394 2749 1 17 . 1 1 75 75 PHE H H 75 8.224 8.224 8.560 -0.336 19394 2750 1 17 . 1 1 76 76 LYS N N 76 113.494 113.494 117.281 -3.787 19394 2751 1 17 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.124 -0.329 19394 2752 1 17 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.541 -0.888 19394 2753 1 17 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.605 0.371 19394 2754 1 17 . 1 1 76 76 LYS H H 76 7.628 7.628 8.539 -0.911 19394 2755 1 17 . 1 1 77 77 GLN N N 77 115.735 115.735 117.156 -1.421 19394 2756 1 17 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.262 -0.064 19394 2757 1 17 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.185 -1.718 19394 2758 1 17 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.499 -0.828 19394 2759 1 17 . 1 1 77 77 GLN H H 77 7.471 7.471 7.535 -0.064 19394 2760 1 17 . 1 1 78 78 LEU N N 78 119.615 119.615 121.158 -1.543 19394 2761 1 17 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.400 -0.098 19394 2762 1 17 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.708 -0.775 19394 2763 1 17 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.824 -1.651 19394 2764 1 17 . 1 1 78 78 LEU H H 78 7.083 7.083 7.298 -0.215 19394 2765 1 17 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.506 -0.038 19394 2766 1 17 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.055 -0.550 19394 2767 1 17 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.506 -0.550 19394 2768 1 17 . 1 1 80 80 VAL N N 80 122.107 122.107 121.117 0.990 19394 2769 1 17 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.720 -0.012 19394 2770 1 17 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.341 -0.260 19394 2771 1 17 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.680 -0.509 19394 2772 1 17 . 1 1 80 80 VAL H H 80 8.659 8.659 8.541 0.118 19394 2773 1 17 . 1 1 81 81 ASP N N 81 117.312 117.312 119.076 -1.764 19394 2774 1 17 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.401 -0.047 19394 2775 1 17 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.691 -1.873 19394 2776 1 17 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.187 -1.655 19394 2777 1 17 . 1 1 81 81 ASP H H 81 8.691 8.691 8.745 -0.054 19394 2778 1 17 . 1 1 82 82 ILE N N 82 121.282 121.282 119.144 2.138 19394 2779 1 17 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.928 -0.093 19394 2780 1 17 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.684 1.450 19394 2781 1 17 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.055 -0.433 19394 2782 1 17 . 1 1 82 82 ILE H H 82 7.116 7.116 7.406 -0.290 19394 2783 1 17 . 1 1 83 83 GLN N N 83 119.414 119.414 119.949 -0.535 19394 2784 1 17 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.643 -0.061 19394 2785 1 17 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.680 -0.367 19394 2786 1 17 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.678 -1.370 19394 2787 1 17 . 1 1 83 83 GLN H H 83 8.039 8.039 7.860 0.179 19394 2788 1 17 . 1 1 84 84 GLU N N 84 115.831 115.831 119.211 -3.380 19394 2789 1 17 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.021 -0.074 19394 2790 1 17 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.481 -0.661 19394 2791 1 17 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.614 0.347 19394 2792 1 17 . 1 1 84 84 GLU H H 84 8.249 8.249 8.524 -0.275 19394 2793 1 17 . 1 1 85 85 GLU N N 85 121.288 121.288 119.888 1.400 19394 2794 1 17 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.080 -0.079 19394 2795 1 17 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.888 -0.113 19394 2796 1 17 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.750 -0.066 19394 2797 1 17 . 1 1 85 85 GLU H H 85 7.589 7.589 7.539 0.050 19394 2798 1 17 . 1 1 86 86 ILE N N 86 120.118 120.118 119.091 1.027 19394 2799 1 17 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.912 -0.133 19394 2800 1 17 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.583 -0.888 19394 2801 1 17 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.358 -0.635 19394 2802 1 17 . 1 1 86 86 ILE H H 86 8.152 8.152 7.756 0.396 19394 2803 1 17 . 1 1 87 87 LEU N N 87 118.574 118.574 121.820 -3.246 19394 2804 1 17 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.190 -0.117 19394 2805 1 17 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.541 -1.041 19394 2806 1 17 . 1 1 87 87 LEU CB C 87 41.299 41.299 40.818 0.481 19394 2807 1 17 . 1 1 87 87 LEU H H 87 8.266 8.266 8.556 -0.290 19394 2808 1 17 . 1 1 88 88 SER N N 88 112.968 112.968 111.529 1.439 19394 2809 1 17 . 1 1 88 88 SER HA H 88 4.402 4.402 4.419 -0.017 19394 2810 1 17 . 1 1 88 88 SER CA C 88 59.317 59.317 59.807 -0.490 19394 2811 1 17 . 1 1 88 88 SER CB C 88 63.412 63.412 64.120 -0.708 19394 2812 1 17 . 1 1 88 88 SER H H 88 8.081 8.081 7.871 0.210 19394 2813 1 17 . 1 1 89 89 GLY N N 89 110.018 110.018 108.322 1.696 19394 2814 1 17 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.199 0.408 19394 2815 1 17 . 1 1 89 89 GLY H H 89 8.005 8.005 8.299 -0.294 19394 2816 1 17 . 1 1 90 90 LYS N N 90 119.834 119.834 121.282 -1.448 19394 2817 1 17 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.306 0.011 19394 2818 1 17 . 1 1 90 90 LYS CA C 90 55.959 55.959 56.096 -0.137 19394 2819 1 17 . 1 1 90 90 LYS CB C 90 32.554 32.554 32.640 -0.086 19394 2820 1 17 . 1 1 90 90 LYS H H 90 8.008 8.008 7.810 0.198 19394 2821 1 17 . 1 1 91 91 SER N N 91 115.231 115.231 113.048 2.183 19394 2822 1 17 . 1 1 91 91 SER HA H 91 4.357 4.357 4.177 0.180 19394 2823 1 17 . 1 1 91 91 SER CA C 91 58.171 58.171 58.879 -0.708 19394 2824 1 17 . 1 1 91 91 SER CB C 91 63.087 63.087 62.334 0.753 19394 2825 1 17 . 1 1 91 91 SER H H 91 8.179 8.179 8.616 -0.437 19394 2826 1 17 . 1 1 92 92 ARG N N 92 122.647 122.647 120.047 2.600 19394 2827 1 17 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.363 -0.088 19394 2828 1 17 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.185 0.800 19394 2829 1 17 . 1 1 92 92 ARG H H 92 8.383 8.383 7.943 0.440 19394 2830 1 17 . 1 1 93 93 GLU N N 93 120.781 120.781 121.724 -0.943 19394 2831 1 17 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.129 -0.074 19394 2832 1 17 . 1 1 93 93 GLU CA C 93 56.594 56.594 57.098 -0.504 19394 2833 1 17 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.504 -0.056 19394 2834 1 17 . 1 1 93 93 GLU H H 93 8.408 8.408 8.378 0.030 19394 2835 1 17 . 1 1 94 94 LYS N N 94 120.821 120.821 121.063 -0.242 19394 2836 1 17 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.126 0.072 19394 2837 1 17 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.790 -1.755 19394 2838 1 17 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.415 -0.243 19394 2839 1 17 . 1 1 94 94 LYS H H 94 8.148 8.148 8.035 0.113 19394 2840 1 17 . 1 1 95 95 PHE N N 95 120.657 120.657 113.368 7.289 19394 2841 1 17 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.761 -0.199 19394 2842 1 17 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.364 0.977 19394 2843 1 17 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.622 -1.778 19394 2844 1 17 . 1 1 95 95 PHE H H 95 8.172 8.172 7.010 1.162 19394 2845 1 17 . 1 1 96 96 GLN N N 96 121.865 121.865 118.812 3.053 19394 2846 1 17 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.530 -0.247 19394 2847 1 17 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.308 1.122 19394 2848 1 17 . 1 1 96 96 GLN CB C 96 28.936 28.936 31.198 -2.262 19394 2849 1 17 . 1 1 96 96 GLN H H 96 8.256 8.256 8.526 -0.270 19394 2850 1 17 . 1 1 97 97 GLY N N 97 109.195 109.195 109.260 -0.065 19394 2851 1 17 . 1 1 97 97 GLY H H 97 7.926 7.926 8.514 -0.588 19394 2852 1 17 . 1 1 98 98 LYS N N 98 120.394 120.394 124.454 -4.060 19394 2853 1 17 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.588 -0.286 19394 2854 1 17 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.304 0.335 19394 2855 1 17 . 1 1 98 98 LYS CB C 98 32.448 32.448 31.719 0.729 19394 2856 1 17 . 1 1 98 98 LYS H H 98 8.145 8.145 8.319 -0.174 19394 2857 1 18 . 1 1 63 63 LEU N N 63 122.281 122.281 120.624 1.657 19394 2858 1 18 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.318 -0.090 19394 2859 1 18 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.601 0.592 19394 2860 1 18 . 1 1 63 63 LEU CB C 63 41.424 41.424 40.197 1.227 19394 2861 1 18 . 1 1 63 63 LEU H H 63 8.343 8.343 8.272 0.071 19394 2862 1 18 . 1 1 64 64 CYS N N 64 118.360 118.360 119.058 -0.698 19394 2863 1 18 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.511 -0.045 19394 2864 1 18 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.712 -1.024 19394 2865 1 18 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.414 -1.899 19394 2866 1 18 . 1 1 64 64 CYS H H 64 8.245 8.245 7.819 0.426 19394 2867 1 18 . 1 1 65 65 SER N N 65 117.570 117.570 117.467 0.103 19394 2868 1 18 . 1 1 65 65 SER HA H 65 4.464 4.464 4.641 -0.177 19394 2869 1 18 . 1 1 65 65 SER CA C 65 57.666 57.666 57.788 -0.122 19394 2870 1 18 . 1 1 65 65 SER CB C 65 63.162 63.162 63.234 -0.072 19394 2871 1 18 . 1 1 65 65 SER H H 65 8.163 8.163 8.015 0.148 19394 2872 1 18 . 1 1 66 66 LEU N N 66 123.618 123.618 125.700 -2.082 19394 2873 1 18 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.635 -0.367 19394 2874 1 18 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.901 0.259 19394 2875 1 18 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.309 -1.006 19394 2876 1 18 . 1 1 66 66 LEU H H 66 7.932 7.932 8.225 -0.293 19394 2877 1 18 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.586 -0.263 19394 2878 1 18 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.271 -0.280 19394 2879 1 18 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.531 -1.157 19394 2880 1 18 . 1 1 68 68 GLU N N 68 121.685 121.685 118.865 2.820 19394 2881 1 18 . 1 1 68 68 GLU HA H 68 3.999 3.999 4.011 -0.012 19394 2882 1 18 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.798 0.336 19394 2883 1 18 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.153 0.003 19394 2884 1 18 . 1 1 68 68 GLU H H 68 8.491 8.491 8.531 -0.040 19394 2885 1 18 . 1 1 69 69 GLY N N 69 111.116 111.116 110.994 0.122 19394 2886 1 18 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.513 -0.910 19394 2887 1 18 . 1 1 69 69 GLY H H 69 8.648 8.648 8.658 -0.010 19394 2888 1 18 . 1 1 70 70 VAL N N 70 118.359 118.359 119.616 -1.257 19394 2889 1 18 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.036 -0.136 19394 2890 1 18 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.382 -0.886 19394 2891 1 18 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.021 -0.824 19394 2892 1 18 . 1 1 70 70 VAL H H 70 7.226 7.226 7.346 -0.120 19394 2893 1 18 . 1 1 71 71 ASP N N 71 127.269 127.269 128.062 -0.793 19394 2894 1 18 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.752 -0.235 19394 2895 1 18 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.853 0.473 19394 2896 1 18 . 1 1 71 71 ASP CB C 71 41.541 41.541 42.009 -0.468 19394 2897 1 18 . 1 1 71 71 ASP H H 71 8.683 8.683 8.386 0.297 19394 2898 1 18 . 1 1 72 72 GLN N N 72 127.038 127.038 125.801 1.237 19394 2899 1 18 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.959 -0.141 19394 2900 1 18 . 1 1 72 72 GLN CA C 72 58.673 58.673 58.774 -0.101 19394 2901 1 18 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.689 -0.745 19394 2902 1 18 . 1 1 72 72 GLN H H 72 8.957 8.957 8.963 -0.006 19394 2903 1 18 . 1 1 73 73 GLU N N 73 118.406 118.406 118.361 0.045 19394 2904 1 18 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.073 -0.050 19394 2905 1 18 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.334 -1.146 19394 2906 1 18 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.502 -1.078 19394 2907 1 18 . 1 1 73 73 GLU H H 73 8.230 8.230 8.132 0.098 19394 2908 1 18 . 1 1 74 74 VAL N N 74 119.834 119.834 118.718 1.116 19394 2909 1 18 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.796 -0.511 19394 2910 1 18 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.882 -0.499 19394 2911 1 18 . 1 1 74 74 VAL CB C 74 31.144 31.144 32.006 -0.862 19394 2912 1 18 . 1 1 74 74 VAL H H 74 7.736 7.736 7.663 0.073 19394 2913 1 18 . 1 1 75 75 PHE N N 75 118.185 118.185 120.854 -2.669 19394 2914 1 18 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.108 -0.454 19394 2915 1 18 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.084 -0.852 19394 2916 1 18 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.413 0.213 19394 2917 1 18 . 1 1 75 75 PHE H H 75 8.224 8.224 8.524 -0.300 19394 2918 1 18 . 1 1 76 76 LYS N N 76 113.494 113.494 117.442 -3.948 19394 2919 1 18 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.128 -0.333 19394 2920 1 18 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.575 -0.923 19394 2921 1 18 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.680 0.296 19394 2922 1 18 . 1 1 76 76 LYS H H 76 7.628 7.628 8.565 -0.937 19394 2923 1 18 . 1 1 77 77 GLN N N 77 115.735 115.735 117.177 -1.442 19394 2924 1 18 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.253 -0.055 19394 2925 1 18 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.248 -1.781 19394 2926 1 18 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.459 -0.788 19394 2927 1 18 . 1 1 77 77 GLN H H 77 7.471 7.471 7.556 -0.084 19394 2928 1 18 . 1 1 78 78 LEU N N 78 119.615 119.615 121.104 -1.489 19394 2929 1 18 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.372 -0.070 19394 2930 1 18 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.680 -0.747 19394 2931 1 18 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.839 -1.666 19394 2932 1 18 . 1 1 78 78 LEU H H 78 7.083 7.083 7.290 -0.207 19394 2933 1 18 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.547 -0.079 19394 2934 1 18 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.242 -0.737 19394 2935 1 18 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.610 -0.654 19394 2936 1 18 . 1 1 80 80 VAL N N 80 122.107 122.107 121.937 0.170 19394 2937 1 18 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.876 -0.168 19394 2938 1 18 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.438 -0.356 19394 2939 1 18 . 1 1 80 80 VAL CB C 80 31.171 31.171 32.057 -0.886 19394 2940 1 18 . 1 1 80 80 VAL H H 80 8.659 8.659 8.558 0.101 19394 2941 1 18 . 1 1 81 81 ASP N N 81 117.312 117.312 119.058 -1.746 19394 2942 1 18 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.516 -0.162 19394 2943 1 18 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.714 -1.896 19394 2944 1 18 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.137 -1.605 19394 2945 1 18 . 1 1 81 81 ASP H H 81 8.691 8.691 8.604 0.087 19394 2946 1 18 . 1 1 82 82 ILE N N 82 121.282 121.282 119.315 1.967 19394 2947 1 18 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.806 0.029 19394 2948 1 18 . 1 1 82 82 ILE CA C 82 63.134 63.134 63.053 0.080 19394 2949 1 18 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.219 -0.597 19394 2950 1 18 . 1 1 82 82 ILE H H 82 7.116 7.116 7.713 -0.597 19394 2951 1 18 . 1 1 83 83 GLN N N 83 119.414 119.414 119.448 -0.034 19394 2952 1 18 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.641 -0.059 19394 2953 1 18 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.511 -0.198 19394 2954 1 18 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.534 -1.226 19394 2955 1 18 . 1 1 83 83 GLN H H 83 8.039 8.039 7.867 0.172 19394 2956 1 18 . 1 1 84 84 GLU N N 84 115.831 115.831 118.569 -2.738 19394 2957 1 18 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.028 -0.081 19394 2958 1 18 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.325 -0.505 19394 2959 1 18 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.907 0.054 19394 2960 1 18 . 1 1 84 84 GLU H H 84 8.249 8.249 8.631 -0.382 19394 2961 1 18 . 1 1 85 85 GLU N N 85 121.288 121.288 120.555 0.733 19394 2962 1 18 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.135 -0.134 19394 2963 1 18 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.903 -0.128 19394 2964 1 18 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.796 -0.112 19394 2965 1 18 . 1 1 85 85 GLU H H 85 7.589 7.589 7.357 0.232 19394 2966 1 18 . 1 1 86 86 ILE N N 86 120.118 120.118 119.856 0.262 19394 2967 1 18 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.766 0.013 19394 2968 1 18 . 1 1 86 86 ILE CA C 86 63.695 63.695 65.388 -1.693 19394 2969 1 18 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.253 -0.530 19394 2970 1 18 . 1 1 86 86 ILE H H 86 8.152 8.152 7.935 0.217 19394 2971 1 18 . 1 1 87 87 LEU N N 87 118.574 118.574 118.318 0.256 19394 2972 1 18 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.178 -0.105 19394 2973 1 18 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.225 -0.725 19394 2974 1 18 . 1 1 87 87 LEU CB C 87 41.299 41.299 42.344 -1.045 19394 2975 1 18 . 1 1 87 87 LEU H H 87 8.266 8.266 7.963 0.303 19394 2976 1 18 . 1 1 88 88 SER N N 88 112.968 112.968 112.439 0.529 19394 2977 1 18 . 1 1 88 88 SER HA H 88 4.402 4.402 4.297 0.105 19394 2978 1 18 . 1 1 88 88 SER CA C 88 59.317 59.317 59.756 -0.439 19394 2979 1 18 . 1 1 88 88 SER CB C 88 63.412 63.412 63.363 0.049 19394 2980 1 18 . 1 1 88 88 SER H H 88 8.081 8.081 7.531 0.550 19394 2981 1 18 . 1 1 89 89 GLY N N 89 110.018 110.018 109.582 0.436 19394 2982 1 18 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.168 0.439 19394 2983 1 18 . 1 1 89 89 GLY H H 89 8.005 8.005 7.710 0.295 19394 2984 1 18 . 1 1 90 90 LYS N N 90 119.834 119.834 119.483 0.351 19394 2985 1 18 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.596 -0.279 19394 2986 1 18 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.017 0.943 19394 2987 1 18 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.776 -1.222 19394 2988 1 18 . 1 1 90 90 LYS H H 90 8.008 8.008 7.338 0.670 19394 2989 1 18 . 1 1 91 91 SER N N 91 115.231 115.231 113.039 2.192 19394 2990 1 18 . 1 1 91 91 SER HA H 91 4.357 4.357 4.090 0.267 19394 2991 1 18 . 1 1 91 91 SER CA C 91 58.171 58.171 59.678 -1.507 19394 2992 1 18 . 1 1 91 91 SER CB C 91 63.087 63.087 61.934 1.153 19394 2993 1 18 . 1 1 91 91 SER H H 91 8.179 8.179 8.604 -0.425 19394 2994 1 18 . 1 1 92 92 ARG N N 92 122.647 122.647 121.116 1.531 19394 2995 1 18 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.405 -0.130 19394 2996 1 18 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.387 0.598 19394 2997 1 18 . 1 1 92 92 ARG H H 92 8.383 8.383 8.190 0.194 19394 2998 1 18 . 1 1 93 93 GLU N N 93 120.781 120.781 121.979 -1.198 19394 2999 1 18 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.252 -0.197 19394 3000 1 18 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.717 -0.123 19394 3001 1 18 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.830 -0.382 19394 3002 1 18 . 1 1 93 93 GLU H H 93 8.408 8.408 8.240 0.168 19394 3003 1 18 . 1 1 94 94 LYS N N 94 120.821 120.821 120.773 0.048 19394 3004 1 18 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.149 0.049 19394 3005 1 18 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.664 -1.629 19394 3006 1 18 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.520 -0.348 19394 3007 1 18 . 1 1 94 94 LYS H H 94 8.148 8.148 8.033 0.115 19394 3008 1 18 . 1 1 95 95 PHE N N 95 120.657 120.657 114.785 5.872 19394 3009 1 18 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.705 -0.143 19394 3010 1 18 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.361 1.980 19394 3011 1 18 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.053 -1.210 19394 3012 1 18 . 1 1 95 95 PHE H H 95 8.172 8.172 6.912 1.260 19394 3013 1 18 . 1 1 96 96 GLN N N 96 121.865 121.865 120.882 0.983 19394 3014 1 18 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.336 -0.053 19394 3015 1 18 . 1 1 96 96 GLN CA C 96 55.430 55.430 56.004 -0.574 19394 3016 1 18 . 1 1 96 96 GLN CB C 96 28.936 28.936 28.260 0.676 19394 3017 1 18 . 1 1 96 96 GLN H H 96 8.256 8.256 8.845 -0.589 19394 3018 1 18 . 1 1 97 97 GLY N N 97 109.195 109.195 111.296 -2.101 19394 3019 1 18 . 1 1 97 97 GLY H H 97 7.926 7.926 8.134 -0.208 19394 3020 1 18 . 1 1 98 98 LYS N N 98 120.394 120.394 119.949 0.445 19394 3021 1 18 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.491 -0.189 19394 3022 1 18 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.583 0.057 19394 3023 1 18 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.535 -0.087 19394 3024 1 18 . 1 1 98 98 LYS H H 98 8.145 8.145 8.461 -0.317 19394 3025 1 19 . 1 1 63 63 LEU N N 63 122.281 122.281 121.117 1.164 19394 3026 1 19 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.374 -0.146 19394 3027 1 19 . 1 1 63 63 LEU CA C 63 55.193 55.193 55.473 -0.280 19394 3028 1 19 . 1 1 63 63 LEU CB C 63 41.424 41.424 40.023 1.401 19394 3029 1 19 . 1 1 63 63 LEU H H 63 8.343 8.343 8.339 0.004 19394 3030 1 19 . 1 1 64 64 CYS N N 64 118.360 118.360 119.766 -1.406 19394 3031 1 19 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.551 -0.085 19394 3032 1 19 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.887 -1.198 19394 3033 1 19 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.645 -2.130 19394 3034 1 19 . 1 1 64 64 CYS H H 64 8.245 8.245 8.307 -0.062 19394 3035 1 19 . 1 1 65 65 SER N N 65 117.570 117.570 117.253 0.317 19394 3036 1 19 . 1 1 65 65 SER HA H 65 4.464 4.464 4.627 -0.163 19394 3037 1 19 . 1 1 65 65 SER CA C 65 57.666 57.666 57.647 0.019 19394 3038 1 19 . 1 1 65 65 SER CB C 65 63.162 63.162 63.500 -0.338 19394 3039 1 19 . 1 1 65 65 SER H H 65 8.163 8.163 7.979 0.184 19394 3040 1 19 . 1 1 66 66 LEU N N 66 123.618 123.618 125.134 -1.516 19394 3041 1 19 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.573 -0.305 19394 3042 1 19 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.015 0.145 19394 3043 1 19 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.191 -0.888 19394 3044 1 19 . 1 1 66 66 LEU H H 66 7.932 7.932 8.210 -0.278 19394 3045 1 19 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.536 -0.213 19394 3046 1 19 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.142 -0.151 19394 3047 1 19 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.268 -0.894 19394 3048 1 19 . 1 1 68 68 GLU N N 68 121.685 121.685 117.985 3.700 19394 3049 1 19 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.996 0.003 19394 3050 1 19 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.934 0.200 19394 3051 1 19 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.328 -0.172 19394 3052 1 19 . 1 1 68 68 GLU H H 68 8.491 8.491 8.369 0.122 19394 3053 1 19 . 1 1 69 69 GLY N N 69 111.116 111.116 110.746 0.370 19394 3054 1 19 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.588 -0.986 19394 3055 1 19 . 1 1 69 69 GLY H H 69 8.648 8.648 8.686 -0.038 19394 3056 1 19 . 1 1 70 70 VAL N N 70 118.359 118.359 119.174 -0.815 19394 3057 1 19 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.072 -0.172 19394 3058 1 19 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.455 -0.959 19394 3059 1 19 . 1 1 70 70 VAL CB C 70 32.197 32.197 32.941 -0.744 19394 3060 1 19 . 1 1 70 70 VAL H H 70 7.226 7.226 7.373 -0.147 19394 3061 1 19 . 1 1 71 71 ASP N N 71 127.269 127.269 127.694 -0.425 19394 3062 1 19 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.791 -0.274 19394 3063 1 19 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.956 0.370 19394 3064 1 19 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.904 -0.363 19394 3065 1 19 . 1 1 71 71 ASP H H 71 8.683 8.683 8.480 0.203 19394 3066 1 19 . 1 1 72 72 GLN N N 72 127.038 127.038 125.639 1.399 19394 3067 1 19 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.942 -0.124 19394 3068 1 19 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.261 -0.588 19394 3069 1 19 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.833 -0.889 19394 3070 1 19 . 1 1 72 72 GLN H H 72 8.957 8.957 8.952 0.005 19394 3071 1 19 . 1 1 73 73 GLU N N 73 118.406 118.406 118.087 0.319 19394 3072 1 19 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.087 -0.064 19394 3073 1 19 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.414 -1.226 19394 3074 1 19 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.377 -0.953 19394 3075 1 19 . 1 1 73 73 GLU H H 73 8.230 8.230 8.158 0.072 19394 3076 1 19 . 1 1 74 74 VAL N N 74 119.834 119.834 118.207 1.627 19394 3077 1 19 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.830 -0.545 19394 3078 1 19 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.547 -0.164 19394 3079 1 19 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.709 -0.565 19394 3080 1 19 . 1 1 74 74 VAL H H 74 7.736 7.736 7.653 0.083 19394 3081 1 19 . 1 1 75 75 PHE N N 75 118.185 118.185 121.186 -3.001 19394 3082 1 19 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.134 -0.480 19394 3083 1 19 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.112 -0.880 19394 3084 1 19 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.344 0.282 19394 3085 1 19 . 1 1 75 75 PHE H H 75 8.224 8.224 8.556 -0.332 19394 3086 1 19 . 1 1 76 76 LYS N N 76 113.494 113.494 117.420 -3.926 19394 3087 1 19 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.112 -0.317 19394 3088 1 19 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.630 -0.978 19394 3089 1 19 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.664 0.312 19394 3090 1 19 . 1 1 76 76 LYS H H 76 7.628 7.628 8.610 -0.982 19394 3091 1 19 . 1 1 77 77 GLN N N 77 115.735 115.735 117.103 -1.368 19394 3092 1 19 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.256 -0.058 19394 3093 1 19 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.176 -1.709 19394 3094 1 19 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.481 -0.810 19394 3095 1 19 . 1 1 77 77 GLN H H 77 7.471 7.471 7.548 -0.077 19394 3096 1 19 . 1 1 78 78 LEU N N 78 119.615 119.615 121.150 -1.535 19394 3097 1 19 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.393 -0.091 19394 3098 1 19 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.703 -0.770 19394 3099 1 19 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.814 -1.641 19394 3100 1 19 . 1 1 78 78 LEU H H 78 7.083 7.083 7.330 -0.247 19394 3101 1 19 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.500 -0.032 19394 3102 1 19 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.054 -0.549 19394 3103 1 19 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.493 -0.537 19394 3104 1 19 . 1 1 80 80 VAL N N 80 122.107 122.107 122.136 -0.029 19394 3105 1 19 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.733 -0.025 19394 3106 1 19 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.609 -0.528 19394 3107 1 19 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.503 -0.332 19394 3108 1 19 . 1 1 80 80 VAL H H 80 8.659 8.659 8.551 0.108 19394 3109 1 19 . 1 1 81 81 ASP N N 81 117.312 117.312 119.349 -2.037 19394 3110 1 19 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.387 -0.033 19394 3111 1 19 . 1 1 81 81 ASP CA C 81 55.818 55.818 58.050 -2.232 19394 3112 1 19 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.399 -1.867 19394 3113 1 19 . 1 1 81 81 ASP H H 81 8.691 8.691 8.767 -0.076 19394 3114 1 19 . 1 1 82 82 ILE N N 82 121.282 121.282 119.351 1.931 19394 3115 1 19 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.920 -0.085 19394 3116 1 19 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.154 0.980 19394 3117 1 19 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.238 -0.616 19394 3118 1 19 . 1 1 82 82 ILE H H 82 7.116 7.116 7.366 -0.250 19394 3119 1 19 . 1 1 83 83 GLN N N 83 119.414 119.414 119.892 -0.478 19394 3120 1 19 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.558 0.024 19394 3121 1 19 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.699 -0.386 19394 3122 1 19 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.597 -1.289 19394 3123 1 19 . 1 1 83 83 GLN H H 83 8.039 8.039 7.878 0.161 19394 3124 1 19 . 1 1 84 84 GLU N N 84 115.831 115.831 119.057 -3.226 19394 3125 1 19 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.035 -0.088 19394 3126 1 19 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.450 -0.630 19394 3127 1 19 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.806 0.155 19394 3128 1 19 . 1 1 84 84 GLU H H 84 8.249 8.249 8.500 -0.251 19394 3129 1 19 . 1 1 85 85 GLU N N 85 121.288 121.288 120.331 0.957 19394 3130 1 19 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.097 -0.096 19394 3131 1 19 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.058 -0.283 19394 3132 1 19 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.684 -0.000 19394 3133 1 19 . 1 1 85 85 GLU H H 85 7.589 7.589 7.565 0.024 19394 3134 1 19 . 1 1 86 86 ILE N N 86 120.118 120.118 119.609 0.509 19394 3135 1 19 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.911 -0.132 19394 3136 1 19 . 1 1 86 86 ILE CA C 86 63.695 63.695 65.022 -1.327 19394 3137 1 19 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.435 -0.712 19394 3138 1 19 . 1 1 86 86 ILE H H 86 8.152 8.152 7.831 0.321 19394 3139 1 19 . 1 1 87 87 LEU N N 87 118.574 118.574 120.150 -1.576 19394 3140 1 19 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.154 -0.081 19394 3141 1 19 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.363 -0.863 19394 3142 1 19 . 1 1 87 87 LEU CB C 87 41.299 41.299 42.204 -0.905 19394 3143 1 19 . 1 1 87 87 LEU H H 87 8.266 8.266 8.525 -0.259 19394 3144 1 19 . 1 1 88 88 SER N N 88 112.968 112.968 113.217 -0.249 19394 3145 1 19 . 1 1 88 88 SER HA H 88 4.402 4.402 4.322 0.080 19394 3146 1 19 . 1 1 88 88 SER CA C 88 59.317 59.317 60.477 -1.160 19394 3147 1 19 . 1 1 88 88 SER CB C 88 63.412 63.412 63.831 -0.419 19394 3148 1 19 . 1 1 88 88 SER H H 88 8.081 8.081 7.964 0.117 19394 3149 1 19 . 1 1 89 89 GLY N N 89 110.018 110.018 109.351 0.667 19394 3150 1 19 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.194 0.413 19394 3151 1 19 . 1 1 89 89 GLY H H 89 8.005 8.005 7.826 0.179 19394 3152 1 19 . 1 1 90 90 LYS N N 90 119.834 119.834 118.660 1.174 19394 3153 1 19 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.585 -0.268 19394 3154 1 19 . 1 1 90 90 LYS CA C 90 55.959 55.959 54.922 1.037 19394 3155 1 19 . 1 1 90 90 LYS CB C 90 32.554 32.554 34.821 -2.267 19394 3156 1 19 . 1 1 90 90 LYS H H 90 8.008 8.008 7.477 0.531 19394 3157 1 19 . 1 1 91 91 SER N N 91 115.231 115.231 113.556 1.675 19394 3158 1 19 . 1 1 91 91 SER HA H 91 4.357 4.357 4.104 0.253 19394 3159 1 19 . 1 1 91 91 SER CA C 91 58.171 58.171 59.450 -1.279 19394 3160 1 19 . 1 1 91 91 SER CB C 91 63.087 63.087 61.793 1.294 19394 3161 1 19 . 1 1 91 91 SER H H 91 8.179 8.179 8.691 -0.512 19394 3162 1 19 . 1 1 92 92 ARG N N 92 122.647 122.647 119.925 2.722 19394 3163 1 19 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.340 -0.065 19394 3164 1 19 . 1 1 92 92 ARG CA C 92 55.985 55.985 54.967 1.018 19394 3165 1 19 . 1 1 92 92 ARG H H 92 8.383 8.383 8.001 0.382 19394 3166 1 19 . 1 1 93 93 GLU N N 93 120.781 120.781 121.372 -0.591 19394 3167 1 19 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.219 -0.164 19394 3168 1 19 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.193 0.401 19394 3169 1 19 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.988 -0.540 19394 3170 1 19 . 1 1 93 93 GLU H H 93 8.408 8.408 8.324 0.084 19394 3171 1 19 . 1 1 94 94 LYS N N 94 120.821 120.821 120.847 -0.026 19394 3172 1 19 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.149 0.049 19394 3173 1 19 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.649 -1.614 19394 3174 1 19 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.622 -0.450 19394 3175 1 19 . 1 1 94 94 LYS H H 94 8.148 8.148 8.006 0.142 19394 3176 1 19 . 1 1 95 95 PHE N N 95 120.657 120.657 115.314 5.343 19394 3177 1 19 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.823 -0.261 19394 3178 1 19 . 1 1 95 95 PHE CA C 95 57.341 57.341 56.068 1.274 19394 3179 1 19 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.062 -1.218 19394 3180 1 19 . 1 1 95 95 PHE H H 95 8.172 8.172 6.884 1.288 19394 3181 1 19 . 1 1 96 96 GLN N N 96 121.865 121.865 118.462 3.403 19394 3182 1 19 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.580 -0.297 19394 3183 1 19 . 1 1 96 96 GLN CA C 96 55.430 55.430 54.325 1.105 19394 3184 1 19 . 1 1 96 96 GLN CB C 96 28.936 28.936 31.084 -2.147 19394 3185 1 19 . 1 1 96 96 GLN H H 96 8.256 8.256 8.565 -0.309 19394 3186 1 19 . 1 1 97 97 GLY N N 97 109.195 109.195 109.536 -0.341 19394 3187 1 19 . 1 1 97 97 GLY H H 97 7.926 7.926 8.643 -0.717 19394 3188 1 19 . 1 1 98 98 LYS N N 98 120.394 120.394 125.725 -5.331 19394 3189 1 19 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.480 -0.178 19394 3190 1 19 . 1 1 98 98 LYS CA C 98 55.640 55.640 56.337 -0.697 19394 3191 1 19 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.953 -0.504 19394 3192 1 19 . 1 1 98 98 LYS H H 98 8.145 8.145 8.532 -0.387 19394 3193 1 20 . 1 1 63 63 LEU N N 63 122.281 122.281 120.262 2.019 19394 3194 1 20 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.492 -0.264 19394 3195 1 20 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.273 0.920 19394 3196 1 20 . 1 1 63 63 LEU CB C 63 41.424 41.424 40.706 0.718 19394 3197 1 20 . 1 1 63 63 LEU H H 63 8.343 8.343 8.173 0.170 19394 3198 1 20 . 1 1 64 64 CYS N N 64 118.360 118.360 118.943 -0.583 19394 3199 1 20 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.550 -0.084 19394 3200 1 20 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.712 -1.023 19394 3201 1 20 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.077 -1.562 19394 3202 1 20 . 1 1 64 64 CYS H H 64 8.245 8.245 7.795 0.450 19394 3203 1 20 . 1 1 65 65 SER N N 65 117.570 117.570 116.666 0.904 19394 3204 1 20 . 1 1 65 65 SER HA H 65 4.464 4.464 4.639 -0.175 19394 3205 1 20 . 1 1 65 65 SER CA C 65 57.666 57.666 58.436 -0.770 19394 3206 1 20 . 1 1 65 65 SER CB C 65 63.162 63.162 63.287 -0.125 19394 3207 1 20 . 1 1 65 65 SER H H 65 8.163 8.163 8.176 -0.013 19394 3208 1 20 . 1 1 66 66 LEU N N 66 123.618 123.618 125.601 -1.983 19394 3209 1 20 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.733 -0.465 19394 3210 1 20 . 1 1 66 66 LEU CA C 66 52.160 52.160 52.180 -0.020 19394 3211 1 20 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.446 -1.143 19394 3212 1 20 . 1 1 66 66 LEU H H 66 7.932 7.932 8.167 -0.235 19394 3213 1 20 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.611 -0.288 19394 3214 1 20 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.156 -0.164 19394 3215 1 20 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.719 -1.345 19394 3216 1 20 . 1 1 68 68 GLU N N 68 121.685 121.685 118.830 2.855 19394 3217 1 20 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.945 0.054 19394 3218 1 20 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.663 0.471 19394 3219 1 20 . 1 1 68 68 GLU CB C 68 29.156 29.156 28.970 0.186 19394 3220 1 20 . 1 1 68 68 GLU H H 68 8.491 8.491 8.375 0.116 19394 3221 1 20 . 1 1 69 69 GLY N N 69 111.116 111.116 110.806 0.310 19394 3222 1 20 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.471 -0.869 19394 3223 1 20 . 1 1 69 69 GLY H H 69 8.648 8.648 8.619 0.029 19394 3224 1 20 . 1 1 70 70 VAL N N 70 118.359 118.359 119.065 -0.706 19394 3225 1 20 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.065 -0.165 19394 3226 1 20 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.566 -1.070 19394 3227 1 20 . 1 1 70 70 VAL CB C 70 32.197 32.197 32.958 -0.761 19394 3228 1 20 . 1 1 70 70 VAL H H 70 7.226 7.226 7.358 -0.132 19394 3229 1 20 . 1 1 71 71 ASP N N 71 127.269 127.269 127.623 -0.354 19394 3230 1 20 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.764 -0.247 19394 3231 1 20 . 1 1 71 71 ASP CA C 71 53.326 53.326 53.199 0.127 19394 3232 1 20 . 1 1 71 71 ASP CB C 71 41.541 41.541 42.126 -0.585 19394 3233 1 20 . 1 1 71 71 ASP H H 71 8.683 8.683 8.454 0.229 19394 3234 1 20 . 1 1 72 72 GLN N N 72 127.038 127.038 125.340 1.698 19394 3235 1 20 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.881 -0.063 19394 3236 1 20 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.218 -0.545 19394 3237 1 20 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.784 -0.840 19394 3238 1 20 . 1 1 72 72 GLN H H 72 8.957 8.957 8.955 0.002 19394 3239 1 20 . 1 1 73 73 GLU N N 73 118.406 118.406 118.993 -0.587 19394 3240 1 20 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.048 -0.025 19394 3241 1 20 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.160 -0.972 19394 3242 1 20 . 1 1 73 73 GLU CB C 73 28.424 28.424 28.990 -0.566 19394 3243 1 20 . 1 1 73 73 GLU H H 73 8.230 8.230 8.087 0.143 19394 3244 1 20 . 1 1 74 74 VAL N N 74 119.834 119.834 118.925 0.909 19394 3245 1 20 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.696 -0.411 19394 3246 1 20 . 1 1 74 74 VAL CA C 74 65.383 65.383 66.054 -0.671 19394 3247 1 20 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.323 -0.179 19394 3248 1 20 . 1 1 74 74 VAL H H 74 7.736 7.736 8.517 -0.781 19394 3249 1 20 . 1 1 75 75 PHE N N 75 118.185 118.185 120.353 -2.168 19394 3250 1 20 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.168 -0.514 19394 3251 1 20 . 1 1 75 75 PHE CA C 75 61.232 61.232 61.969 -0.737 19394 3252 1 20 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.399 0.227 19394 3253 1 20 . 1 1 75 75 PHE H H 75 8.224 8.224 8.482 -0.258 19394 3254 1 20 . 1 1 76 76 LYS N N 76 113.494 113.494 116.755 -3.261 19394 3255 1 20 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.179 -0.384 19394 3256 1 20 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.352 -0.700 19394 3257 1 20 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.802 0.174 19394 3258 1 20 . 1 1 76 76 LYS H H 76 7.628 7.628 8.370 -0.742 19394 3259 1 20 . 1 1 77 77 GLN N N 77 115.735 115.735 117.505 -1.770 19394 3260 1 20 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.242 -0.044 19394 3261 1 20 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.308 -1.841 19394 3262 1 20 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.580 -0.909 19394 3263 1 20 . 1 1 77 77 GLN H H 77 7.471 7.471 7.780 -0.309 19394 3264 1 20 . 1 1 78 78 LEU N N 78 119.615 119.615 121.421 -1.806 19394 3265 1 20 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.598 -0.296 19394 3266 1 20 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.216 -0.283 19394 3267 1 20 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.829 -1.656 19394 3268 1 20 . 1 1 78 78 LEU H H 78 7.083 7.083 7.315 -0.232 19394 3269 1 20 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.539 -0.071 19394 3270 1 20 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.216 -0.711 19394 3271 1 20 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.678 -0.722 19394 3272 1 20 . 1 1 80 80 VAL N N 80 122.107 122.107 121.344 0.763 19394 3273 1 20 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.604 0.104 19394 3274 1 20 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.597 -0.515 19394 3275 1 20 . 1 1 80 80 VAL CB C 80 31.171 31.171 32.071 -0.900 19394 3276 1 20 . 1 1 80 80 VAL H H 80 8.659 8.659 8.545 0.114 19394 3277 1 20 . 1 1 81 81 ASP N N 81 117.312 117.312 119.117 -1.805 19394 3278 1 20 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.352 0.002 19394 3279 1 20 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.426 -1.608 19394 3280 1 20 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.108 -1.576 19394 3281 1 20 . 1 1 81 81 ASP H H 81 8.691 8.691 8.658 0.033 19394 3282 1 20 . 1 1 82 82 ILE N N 82 121.282 121.282 119.864 1.418 19394 3283 1 20 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.943 -0.108 19394 3284 1 20 . 1 1 82 82 ILE CA C 82 63.134 63.134 61.676 1.458 19394 3285 1 20 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.069 -0.447 19394 3286 1 20 . 1 1 82 82 ILE H H 82 7.116 7.116 7.841 -0.725 19394 3287 1 20 . 1 1 83 83 GLN N N 83 119.414 119.414 119.657 -0.243 19394 3288 1 20 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.468 0.114 19394 3289 1 20 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.548 -0.235 19394 3290 1 20 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.349 -1.041 19394 3291 1 20 . 1 1 83 83 GLN H H 83 8.039 8.039 7.910 0.129 19394 3292 1 20 . 1 1 84 84 GLU N N 84 115.831 115.831 118.383 -2.552 19394 3293 1 20 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.023 -0.076 19394 3294 1 20 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.337 -0.517 19394 3295 1 20 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.774 0.187 19394 3296 1 20 . 1 1 84 84 GLU H H 84 8.249 8.249 8.480 -0.231 19394 3297 1 20 . 1 1 85 85 GLU N N 85 121.288 121.288 120.449 0.839 19394 3298 1 20 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.094 -0.093 19394 3299 1 20 . 1 1 85 85 GLU CA C 85 58.775 58.775 58.969 -0.194 19394 3300 1 20 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.704 -0.020 19394 3301 1 20 . 1 1 85 85 GLU H H 85 7.589 7.589 7.400 0.189 19394 3302 1 20 . 1 1 86 86 ILE N N 86 120.118 120.118 119.577 0.541 19394 3303 1 20 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.870 -0.091 19394 3304 1 20 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.934 -1.239 19394 3305 1 20 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.201 -0.478 19394 3306 1 20 . 1 1 86 86 ILE H H 86 8.152 8.152 8.406 -0.254 19394 3307 1 20 . 1 1 87 87 LEU N N 87 118.574 118.574 119.885 -1.311 19394 3308 1 20 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.212 -0.139 19394 3309 1 20 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.122 -0.622 19394 3310 1 20 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.185 0.114 19394 3311 1 20 . 1 1 87 87 LEU H H 87 8.266 8.266 8.290 -0.024 19394 3312 1 20 . 1 1 88 88 SER N N 88 112.968 112.968 111.690 1.278 19394 3313 1 20 . 1 1 88 88 SER HA H 88 4.402 4.402 4.341 0.061 19394 3314 1 20 . 1 1 88 88 SER CA C 88 59.317 59.317 60.334 -1.017 19394 3315 1 20 . 1 1 88 88 SER CB C 88 63.412 63.412 63.840 -0.428 19394 3316 1 20 . 1 1 88 88 SER H H 88 8.081 8.081 7.878 0.203 19394 3317 1 20 . 1 1 89 89 GLY N N 89 110.018 110.018 108.955 1.063 19394 3318 1 20 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.455 0.152 19394 3319 1 20 . 1 1 89 89 GLY H H 89 8.005 8.005 7.771 0.234 19394 3320 1 20 . 1 1 90 90 LYS N N 90 119.834 119.834 120.465 -0.631 19394 3321 1 20 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.436 -0.119 19394 3322 1 20 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.287 0.672 19394 3323 1 20 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.801 -1.247 19394 3324 1 20 . 1 1 90 90 LYS H H 90 8.008 8.008 7.274 0.734 19394 3325 1 20 . 1 1 91 91 SER N N 91 115.231 115.231 112.574 2.657 19394 3326 1 20 . 1 1 91 91 SER HA H 91 4.357 4.357 4.105 0.252 19394 3327 1 20 . 1 1 91 91 SER CA C 91 58.171 58.171 59.293 -1.122 19394 3328 1 20 . 1 1 91 91 SER CB C 91 63.087 63.087 61.718 1.369 19394 3329 1 20 . 1 1 91 91 SER H H 91 8.179 8.179 8.678 -0.499 19394 3330 1 20 . 1 1 92 92 ARG N N 92 122.647 122.647 119.558 3.089 19394 3331 1 20 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.352 -0.077 19394 3332 1 20 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.012 0.973 19394 3333 1 20 . 1 1 92 92 ARG H H 92 8.383 8.383 7.952 0.431 19394 3334 1 20 . 1 1 93 93 GLU N N 93 120.781 120.781 121.816 -1.035 19394 3335 1 20 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.192 -0.137 19394 3336 1 20 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.347 0.247 19394 3337 1 20 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.726 -0.278 19394 3338 1 20 . 1 1 93 93 GLU H H 93 8.408 8.408 8.296 0.112 19394 3339 1 20 . 1 1 94 94 LYS N N 94 120.821 120.821 120.739 0.082 19394 3340 1 20 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.140 0.058 19394 3341 1 20 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.500 -1.465 19394 3342 1 20 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.367 -0.195 19394 3343 1 20 . 1 1 94 94 LYS H H 94 8.148 8.148 7.986 0.162 19394 3344 1 20 . 1 1 95 95 PHE N N 95 120.657 120.657 115.923 4.734 19394 3345 1 20 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.675 -0.113 19394 3346 1 20 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.536 1.805 19394 3347 1 20 . 1 1 95 95 PHE CB C 95 38.844 38.844 39.757 -0.913 19394 3348 1 20 . 1 1 95 95 PHE H H 95 8.172 8.172 6.875 1.297 19394 3349 1 20 . 1 1 96 96 GLN N N 96 121.865 121.865 120.646 1.219 19394 3350 1 20 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.372 -0.089 19394 3351 1 20 . 1 1 96 96 GLN CA C 96 55.430 55.430 56.021 -0.591 19394 3352 1 20 . 1 1 96 96 GLN CB C 96 28.936 28.936 28.722 0.214 19394 3353 1 20 . 1 1 96 96 GLN H H 96 8.256 8.256 8.912 -0.656 19394 3354 1 20 . 1 1 97 97 GLY N N 97 109.195 109.195 111.271 -2.076 19394 3355 1 20 . 1 1 97 97 GLY H H 97 7.926 7.926 8.482 -0.556 19394 3356 1 20 . 1 1 98 98 LYS N N 98 120.394 120.394 120.541 -0.147 19394 3357 1 20 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.538 -0.236 19394 3358 1 20 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.765 -0.125 19394 3359 1 20 . 1 1 98 98 LYS CB C 98 32.448 32.448 33.087 -0.639 19394 3360 1 20 . 1 1 98 98 LYS H H 98 8.145 8.145 8.511 -0.366 19394 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 34 2.046 -0.076 2.076 19394 2 1 1 "Average Difference" HA 37 0.240 0.090 0.225 19394 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19394 4 1 1 "Average Difference" CA 35 0.870 0.276 0.837 19394 5 1 1 "Average Difference" CB 32 0.837 0.562 0.630 19394 6 1 1 "Average Difference" HN 34 0.417 -0.045 0.421 19394 7 1 2 "Average Difference" N 34 2.390 -0.210 2.417 19394 8 1 2 "Average Difference" HA 37 0.246 0.093 0.231 19394 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19394 10 1 2 "Average Difference" CA 35 1.008 0.306 0.974 19394 11 1 2 "Average Difference" CB 32 0.934 0.650 0.682 19394 12 1 2 "Average Difference" HN 34 0.423 0.032 0.429 19394 13 1 3 "Average Difference" N 34 1.989 -0.157 2.012 19394 14 1 3 "Average Difference" HA 37 0.239 0.092 0.223 19394 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19394 16 1 3 "Average Difference" CA 35 0.957 0.325 0.913 19394 17 1 3 "Average Difference" CB 32 0.869 0.484 0.733 19394 18 1 3 "Average Difference" HN 34 0.410 -0.030 0.415 19394 19 1 4 "Average Difference" N 34 1.739 -0.185 1.755 19394 20 1 4 "Average Difference" HA 37 0.245 0.102 0.226 19394 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19394 22 1 4 "Average Difference" CA 35 0.904 0.291 0.868 19394 23 1 4 "Average Difference" CB 32 0.821 0.513 0.651 19394 24 1 4 "Average Difference" HN 34 0.386 -0.038 0.390 19394 25 1 5 "Average Difference" N 34 2.382 0.054 2.417 19394 26 1 5 "Average Difference" HA 37 0.229 0.084 0.216 19394 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19394 28 1 5 "Average Difference" CA 35 0.894 0.381 0.821 19394 29 1 5 "Average Difference" CB 32 0.822 0.496 0.666 19394 30 1 5 "Average Difference" HN 34 0.391 0.020 0.396 19394 31 1 6 "Average Difference" N 34 2.141 -0.180 2.166 19394 32 1 6 "Average Difference" HA 37 0.236 0.089 0.222 19394 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19394 34 1 6 "Average Difference" CA 35 0.940 0.300 0.904 19394 35 1 6 "Average Difference" CB 32 0.925 0.586 0.728 19394 36 1 6 "Average Difference" HN 34 0.369 -0.024 0.374 19394 37 1 7 "Average Difference" N 34 1.982 -0.161 2.006 19394 38 1 7 "Average Difference" HA 37 0.232 0.070 0.224 19394 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19394 40 1 7 "Average Difference" CA 35 0.969 0.419 0.886 19394 41 1 7 "Average Difference" CB 32 0.928 0.618 0.703 19394 42 1 7 "Average Difference" HN 34 0.366 0.042 0.369 19394 43 1 8 "Average Difference" N 34 1.880 -0.078 1.907 19394 44 1 8 "Average Difference" HA 37 0.243 0.096 0.226 19394 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19394 46 1 8 "Average Difference" CA 35 0.862 0.341 0.803 19394 47 1 8 "Average Difference" CB 32 0.916 0.633 0.673 19394 48 1 8 "Average Difference" HN 34 0.384 -0.024 0.389 19394 49 1 9 "Average Difference" N 34 2.070 0.196 2.091 19394 50 1 9 "Average Difference" HA 37 0.237 0.089 0.223 19394 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19394 52 1 9 "Average Difference" CA 35 0.817 0.411 0.716 19394 53 1 9 "Average Difference" CB 32 1.018 0.672 0.777 19394 54 1 9 "Average Difference" HN 34 0.379 0.068 0.379 19394 55 1 10 "Average Difference" N 34 2.317 0.113 2.349 19394 56 1 10 "Average Difference" HA 37 0.235 0.088 0.221 19394 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19394 58 1 10 "Average Difference" CA 35 1.026 0.398 0.959 19394 59 1 10 "Average Difference" CB 32 0.971 0.633 0.748 19394 60 1 10 "Average Difference" HN 34 0.384 0.018 0.389 19394 61 1 11 "Average Difference" N 34 1.781 -0.149 1.801 19394 62 1 11 "Average Difference" HA 37 0.223 0.089 0.207 19394 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19394 64 1 11 "Average Difference" CA 35 0.963 0.383 0.896 19394 65 1 11 "Average Difference" CB 32 0.997 0.460 0.899 19394 66 1 11 "Average Difference" HN 34 0.380 0.055 0.382 19394 67 1 12 "Average Difference" N 34 2.075 0.040 2.106 19394 68 1 12 "Average Difference" HA 37 0.228 0.100 0.208 19394 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19394 70 1 12 "Average Difference" CA 35 0.964 0.360 0.908 19394 71 1 12 "Average Difference" CB 32 0.835 0.570 0.620 19394 72 1 12 "Average Difference" HN 34 0.455 0.095 0.451 19394 73 1 13 "Average Difference" N 34 1.966 0.054 1.994 19394 74 1 13 "Average Difference" HA 37 0.245 0.105 0.225 19394 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19394 76 1 13 "Average Difference" CA 35 0.896 0.309 0.854 19394 77 1 13 "Average Difference" CB 32 0.839 0.575 0.621 19394 78 1 13 "Average Difference" HN 34 0.355 0.023 0.359 19394 79 1 14 "Average Difference" N 34 1.863 0.086 1.889 19394 80 1 14 "Average Difference" HA 37 0.240 0.087 0.227 19394 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19394 82 1 14 "Average Difference" CA 35 0.880 0.309 0.836 19394 83 1 14 "Average Difference" CB 32 0.977 0.615 0.770 19394 84 1 14 "Average Difference" HN 34 0.387 0.039 0.390 19394 85 1 15 "Average Difference" N 34 2.391 -0.070 2.426 19394 86 1 15 "Average Difference" HA 37 0.248 0.102 0.229 19394 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19394 88 1 15 "Average Difference" CA 35 0.979 0.319 0.939 19394 89 1 15 "Average Difference" CB 32 0.805 0.532 0.614 19394 90 1 15 "Average Difference" HN 34 0.413 -0.042 0.418 19394 91 1 16 "Average Difference" N 34 2.083 -0.022 2.114 19394 92 1 16 "Average Difference" HA 37 0.220 0.085 0.206 19394 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19394 94 1 16 "Average Difference" CA 35 0.946 0.428 0.855 19394 95 1 16 "Average Difference" CB 32 0.887 0.409 0.800 19394 96 1 16 "Average Difference" HN 34 0.416 0.010 0.422 19394 97 1 17 "Average Difference" N 34 2.357 -0.127 2.389 19394 98 1 17 "Average Difference" HA 37 0.217 0.087 0.202 19394 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19394 100 1 17 "Average Difference" CA 35 0.891 0.367 0.824 19394 101 1 17 "Average Difference" CB 32 0.933 0.496 0.803 19394 102 1 17 "Average Difference" HN 34 0.352 0.035 0.356 19394 103 1 18 "Average Difference" N 34 1.814 -0.020 1.841 19394 104 1 18 "Average Difference" HA 37 0.227 0.076 0.217 19394 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19394 106 1 18 "Average Difference" CA 35 0.913 0.401 0.833 19394 107 1 18 "Average Difference" CB 32 0.908 0.525 0.753 19394 108 1 18 "Average Difference" HN 34 0.397 -0.028 0.402 19394 109 1 19 "Average Difference" N 34 2.149 0.018 2.181 19394 110 1 19 "Average Difference" HA 37 0.225 0.085 0.212 19394 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19394 112 1 19 "Average Difference" CA 35 0.953 0.414 0.871 19394 113 1 19 "Average Difference" CB 32 1.054 0.648 0.845 19394 114 1 19 "Average Difference" HN 34 0.378 0.027 0.383 19394 115 1 20 "Average Difference" N 34 1.782 -0.099 1.807 19394 116 1 20 "Average Difference" HA 37 0.231 0.075 0.222 19394 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19394 118 1 20 "Average Difference" CA 35 0.897 0.366 0.831 19394 119 1 20 "Average Difference" CB 32 0.832 0.480 0.690 19394 120 1 20 "Average Difference" HN 34 0.425 0.036 0.430 19394 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 19394 _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 63 63 LEU N N 63 122.281 122.281 121.471 0.810 19394 2 1 . 1 1 63 63 LEU HA H 63 4.228 4.228 4.543 -0.315 19394 3 1 . 1 1 63 63 LEU CA C 63 55.193 55.193 54.557 0.636 19394 4 1 . 1 1 63 63 LEU CB C 63 41.424 41.424 41.364 0.060 19394 5 1 . 1 1 63 63 LEU H H 63 8.343 8.343 8.289 0.054 19394 6 1 . 1 1 64 64 CYS N N 64 118.360 118.360 119.208 -0.848 19394 7 1 . 1 1 64 64 CYS HA H 64 4.466 4.466 4.468 -0.002 19394 8 1 . 1 1 64 64 CYS CA C 64 57.689 57.689 58.989 -1.300 19394 9 1 . 1 1 64 64 CYS CB C 64 27.515 27.515 29.004 -1.489 19394 10 1 . 1 1 64 64 CYS H H 64 8.245 8.245 8.082 0.163 19394 11 1 . 1 1 65 65 SER N N 65 117.570 117.570 117.160 0.410 19394 12 1 . 1 1 65 65 SER HA H 65 4.464 4.464 4.637 -0.173 19394 13 1 . 1 1 65 65 SER CA C 65 57.666 57.666 57.925 -0.259 19394 14 1 . 1 1 65 65 SER CB C 65 63.162 63.162 63.390 -0.228 19394 15 1 . 1 1 65 65 SER H H 65 8.163 8.163 8.120 0.043 19394 16 1 . 1 1 66 66 LEU N N 66 123.618 123.618 125.824 -2.206 19394 17 1 . 1 1 66 66 LEU HA H 66 4.268 4.268 4.652 -0.384 19394 18 1 . 1 1 66 66 LEU CA C 66 52.160 52.160 51.965 0.195 19394 19 1 . 1 1 66 66 LEU CB C 66 41.303 41.303 42.314 -1.011 19394 20 1 . 1 1 66 66 LEU H H 66 7.932 7.932 8.269 -0.337 19394 21 1 . 1 1 67 67 PRO HA H 67 4.323 4.323 4.573 -0.250 19394 22 1 . 1 1 67 67 PRO CA C 67 61.991 61.991 62.175 -0.183 19394 23 1 . 1 1 67 67 PRO CB C 67 31.374 31.374 32.379 -1.005 19394 24 1 . 1 1 68 68 GLU N N 68 121.685 121.685 118.300 3.385 19394 25 1 . 1 1 68 68 GLU HA H 68 3.999 3.999 3.990 0.009 19394 26 1 . 1 1 68 68 GLU CA C 68 57.134 57.134 56.853 0.281 19394 27 1 . 1 1 68 68 GLU CB C 68 29.156 29.156 29.148 0.008 19394 28 1 . 1 1 68 68 GLU H H 68 8.491 8.491 8.382 0.110 19394 29 1 . 1 1 69 69 GLY N N 69 111.116 111.116 110.625 0.491 19394 30 1 . 1 1 69 69 GLY CA C 69 44.602 44.602 45.651 -1.048 19394 31 1 . 1 1 69 69 GLY H H 69 8.648 8.648 8.659 -0.011 19394 32 1 . 1 1 70 70 VAL N N 70 118.359 118.359 118.819 -0.460 19394 33 1 . 1 1 70 70 VAL HA H 70 3.900 3.900 4.042 -0.142 19394 34 1 . 1 1 70 70 VAL CA C 70 61.496 61.496 62.652 -1.156 19394 35 1 . 1 1 70 70 VAL CB C 70 32.197 32.197 33.119 -0.923 19394 36 1 . 1 1 70 70 VAL H H 70 7.226 7.226 7.268 -0.041 19394 37 1 . 1 1 71 71 ASP N N 71 127.269 127.269 127.349 -0.080 19394 38 1 . 1 1 71 71 ASP HA H 71 4.517 4.517 4.772 -0.256 19394 39 1 . 1 1 71 71 ASP CA C 71 53.326 53.326 52.968 0.358 19394 40 1 . 1 1 71 71 ASP CB C 71 41.541 41.541 41.885 -0.344 19394 41 1 . 1 1 71 71 ASP H H 71 8.683 8.683 8.440 0.243 19394 42 1 . 1 1 72 72 GLN N N 72 127.038 127.038 125.635 1.403 19394 43 1 . 1 1 72 72 GLN HA H 72 3.818 3.818 3.935 -0.117 19394 44 1 . 1 1 72 72 GLN CA C 72 58.673 58.673 59.246 -0.573 19394 45 1 . 1 1 72 72 GLN CB C 72 27.944 27.944 28.810 -0.866 19394 46 1 . 1 1 72 72 GLN H H 72 8.957 8.957 8.967 -0.010 19394 47 1 . 1 1 73 73 GLU N N 73 118.406 118.406 118.517 -0.111 19394 48 1 . 1 1 73 73 GLU HA H 73 4.023 4.023 4.063 -0.040 19394 49 1 . 1 1 73 73 GLU CA C 73 58.188 58.188 59.307 -1.119 19394 50 1 . 1 1 73 73 GLU CB C 73 28.424 28.424 29.344 -0.920 19394 51 1 . 1 1 73 73 GLU H H 73 8.230 8.230 8.137 0.093 19394 52 1 . 1 1 74 74 VAL N N 74 119.834 119.834 118.637 1.197 19394 53 1 . 1 1 74 74 VAL HA H 74 3.285 3.285 3.809 -0.524 19394 54 1 . 1 1 74 74 VAL CA C 74 65.383 65.383 65.392 -0.009 19394 55 1 . 1 1 74 74 VAL CB C 74 31.144 31.144 31.616 -0.472 19394 56 1 . 1 1 74 74 VAL H H 74 7.736 7.736 8.016 -0.280 19394 57 1 . 1 1 75 75 PHE N N 75 118.185 118.185 120.936 -2.751 19394 58 1 . 1 1 75 75 PHE HA H 75 3.654 3.654 4.118 -0.464 19394 59 1 . 1 1 75 75 PHE CA C 75 61.232 61.232 62.141 -0.909 19394 60 1 . 1 1 75 75 PHE CB C 75 39.626 39.626 39.346 0.280 19394 61 1 . 1 1 75 75 PHE H H 75 8.224 8.224 8.531 -0.307 19394 62 1 . 1 1 76 76 LYS N N 76 113.494 113.494 117.281 -3.787 19394 63 1 . 1 1 76 76 LYS HA H 76 3.795 3.795 4.129 -0.335 19394 64 1 . 1 1 76 76 LYS CA C 76 57.652 57.652 58.545 -0.892 19394 65 1 . 1 1 76 76 LYS CB C 76 31.976 31.976 31.641 0.334 19394 66 1 . 1 1 76 76 LYS H H 76 7.628 7.628 8.543 -0.915 19394 67 1 . 1 1 77 77 GLN N N 77 115.735 115.735 117.264 -1.529 19394 68 1 . 1 1 77 77 GLN HA H 77 4.198 4.198 4.264 -0.066 19394 69 1 . 1 1 77 77 GLN CA C 77 54.467 54.467 56.198 -1.731 19394 70 1 . 1 1 77 77 GLN CB C 77 28.671 28.671 29.491 -0.820 19394 71 1 . 1 1 77 77 GLN H H 77 7.471 7.471 7.561 -0.090 19394 72 1 . 1 1 78 78 LEU N N 78 119.615 119.615 121.294 -1.679 19394 73 1 . 1 1 78 78 LEU HA H 78 4.302 4.302 4.414 -0.112 19394 74 1 . 1 1 78 78 LEU CA C 78 51.933 51.933 52.672 -0.739 19394 75 1 . 1 1 78 78 LEU CB C 78 40.173 40.173 41.794 -1.621 19394 76 1 . 1 1 78 78 LEU H H 78 7.083 7.083 7.342 -0.259 19394 77 1 . 1 1 79 79 PRO HA H 79 4.468 4.468 4.509 -0.041 19394 78 1 . 1 1 79 79 PRO CA C 79 61.505 61.505 62.087 -0.582 19394 79 1 . 1 1 79 79 PRO CB C 79 31.956 31.956 32.568 -0.612 19394 80 1 . 1 1 80 80 VAL N N 80 122.107 122.107 121.241 0.866 19394 81 1 . 1 1 80 80 VAL HA H 80 3.708 3.708 3.715 -0.007 19394 82 1 . 1 1 80 80 VAL CA C 80 65.081 65.081 65.443 -0.362 19394 83 1 . 1 1 80 80 VAL CB C 80 31.171 31.171 31.819 -0.648 19394 84 1 . 1 1 80 80 VAL H H 80 8.659 8.659 8.531 0.128 19394 85 1 . 1 1 81 81 ASP N N 81 117.312 117.312 118.911 -1.599 19394 86 1 . 1 1 81 81 ASP HA H 81 4.354 4.354 4.409 -0.055 19394 87 1 . 1 1 81 81 ASP CA C 81 55.818 55.818 57.657 -1.839 19394 88 1 . 1 1 81 81 ASP CB C 81 38.532 38.532 40.171 -1.639 19394 89 1 . 1 1 81 81 ASP H H 81 8.691 8.691 8.721 -0.030 19394 90 1 . 1 1 82 82 ILE N N 82 121.282 121.282 119.400 1.882 19394 91 1 . 1 1 82 82 ILE HA H 82 3.835 3.835 3.903 -0.068 19394 92 1 . 1 1 82 82 ILE CA C 82 63.134 63.134 62.060 1.074 19394 93 1 . 1 1 82 82 ILE CB C 82 36.622 36.622 37.123 -0.501 19394 94 1 . 1 1 82 82 ILE H H 82 7.116 7.116 7.423 -0.307 19394 95 1 . 1 1 83 83 GLN N N 83 119.414 119.414 119.495 -0.081 19394 96 1 . 1 1 83 83 GLN HA H 83 3.582 3.582 3.654 -0.072 19394 97 1 . 1 1 83 83 GLN CA C 83 59.313 59.313 59.541 -0.228 19394 98 1 . 1 1 83 83 GLN CB C 83 27.308 27.308 28.604 -1.296 19394 99 1 . 1 1 83 83 GLN H H 83 8.039 8.039 7.952 0.087 19394 100 1 . 1 1 84 84 GLU N N 84 115.831 115.831 118.598 -2.767 19394 101 1 . 1 1 84 84 GLU HA H 84 3.947 3.947 4.095 -0.148 19394 102 1 . 1 1 84 84 GLU CA C 84 58.820 58.820 59.181 -0.361 19394 103 1 . 1 1 84 84 GLU CB C 84 28.961 28.961 28.875 0.086 19394 104 1 . 1 1 84 84 GLU H H 84 8.249 8.249 8.390 -0.141 19394 105 1 . 1 1 85 85 GLU N N 85 121.288 121.288 120.567 0.721 19394 106 1 . 1 1 85 85 GLU HA H 85 4.001 4.001 4.110 -0.109 19394 107 1 . 1 1 85 85 GLU CA C 85 58.775 58.775 59.015 -0.240 19394 108 1 . 1 1 85 85 GLU CB C 85 29.684 29.684 29.784 -0.100 19394 109 1 . 1 1 85 85 GLU H H 85 7.589 7.589 7.469 0.120 19394 110 1 . 1 1 86 86 ILE N N 86 120.118 120.118 119.180 0.938 19394 111 1 . 1 1 86 86 ILE HA H 86 3.779 3.779 3.926 -0.147 19394 112 1 . 1 1 86 86 ILE CA C 86 63.695 63.695 64.697 -1.002 19394 113 1 . 1 1 86 86 ILE CB C 86 37.723 37.723 38.290 -0.567 19394 114 1 . 1 1 86 86 ILE H H 86 8.152 8.152 7.930 0.222 19394 115 1 . 1 1 87 87 LEU N N 87 118.574 118.574 120.160 -1.586 19394 116 1 . 1 1 87 87 LEU HA H 87 4.073 4.073 4.239 -0.166 19394 117 1 . 1 1 87 87 LEU CA C 87 56.500 56.500 57.175 -0.675 19394 118 1 . 1 1 87 87 LEU CB C 87 41.299 41.299 41.276 0.023 19394 119 1 . 1 1 87 87 LEU H H 87 8.266 8.266 8.068 0.198 19394 120 1 . 1 1 88 88 SER N N 88 112.968 112.968 112.458 0.510 19394 121 1 . 1 1 88 88 SER HA H 88 4.402 4.402 4.341 0.061 19394 122 1 . 1 1 88 88 SER CA C 88 59.317 59.317 60.057 -0.740 19394 123 1 . 1 1 88 88 SER CB C 88 63.412 63.412 63.835 -0.423 19394 124 1 . 1 1 88 88 SER H H 88 8.081 8.081 7.822 0.259 19394 125 1 . 1 1 89 89 GLY N N 89 110.018 110.018 108.784 1.234 19394 126 1 . 1 1 89 89 GLY CA C 89 45.607 45.607 45.247 0.360 19394 127 1 . 1 1 89 89 GLY H H 89 8.005 8.005 7.770 0.235 19394 128 1 . 1 1 90 90 LYS N N 90 119.834 119.834 119.598 0.236 19394 129 1 . 1 1 90 90 LYS HA H 90 4.317 4.317 4.528 -0.211 19394 130 1 . 1 1 90 90 LYS CA C 90 55.959 55.959 55.029 0.930 19394 131 1 . 1 1 90 90 LYS CB C 90 32.554 32.554 33.628 -1.074 19394 132 1 . 1 1 90 90 LYS H H 90 8.008 8.008 7.439 0.569 19394 133 1 . 1 1 91 91 SER N N 91 115.231 115.231 113.053 2.178 19394 134 1 . 1 1 91 91 SER HA H 91 4.357 4.357 4.128 0.229 19394 135 1 . 1 1 91 91 SER CA C 91 58.171 58.171 59.098 -0.927 19394 136 1 . 1 1 91 91 SER CB C 91 63.087 63.087 62.060 1.027 19394 137 1 . 1 1 91 91 SER H H 91 8.179 8.179 8.618 -0.439 19394 138 1 . 1 1 92 92 ARG N N 92 122.647 122.647 120.605 2.042 19394 139 1 . 1 1 92 92 ARG HA H 92 4.275 4.275 4.339 -0.064 19394 140 1 . 1 1 92 92 ARG CA C 92 55.985 55.985 55.189 0.796 19394 141 1 . 1 1 92 92 ARG H H 92 8.383 8.383 8.006 0.378 19394 142 1 . 1 1 93 93 GLU N N 93 120.781 120.781 121.615 -0.834 19394 143 1 . 1 1 93 93 GLU HA H 93 4.055 4.055 4.194 -0.139 19394 144 1 . 1 1 93 93 GLU CA C 93 56.594 56.594 56.700 -0.106 19394 145 1 . 1 1 93 93 GLU CB C 93 29.448 29.448 29.971 -0.523 19394 146 1 . 1 1 93 93 GLU H H 93 8.408 8.408 8.318 0.090 19394 147 1 . 1 1 94 94 LYS N N 94 120.821 120.821 120.610 0.211 19394 148 1 . 1 1 94 94 LYS HA H 94 4.198 4.198 4.123 0.075 19394 149 1 . 1 1 94 94 LYS CA C 94 56.035 56.035 57.622 -1.587 19394 150 1 . 1 1 94 94 LYS CB C 94 32.172 32.172 32.438 -0.266 19394 151 1 . 1 1 94 94 LYS H H 94 8.148 8.148 8.161 -0.013 19394 152 1 . 1 1 95 95 PHE N N 95 120.657 120.657 115.347 5.310 19394 153 1 . 1 1 95 95 PHE HA H 95 4.562 4.562 4.767 -0.205 19394 154 1 . 1 1 95 95 PHE CA C 95 57.341 57.341 55.948 1.393 19394 155 1 . 1 1 95 95 PHE CB C 95 38.844 38.844 40.160 -1.316 19394 156 1 . 1 1 95 95 PHE H H 95 8.172 8.172 7.000 1.172 19394 157 1 . 1 1 96 96 GLN N N 96 121.865 121.865 119.823 2.042 19394 158 1 . 1 1 96 96 GLN HA H 96 4.283 4.283 4.482 -0.199 19394 159 1 . 1 1 96 96 GLN CA C 96 55.430 55.430 55.001 0.429 19394 160 1 . 1 1 96 96 GLN CB C 96 28.936 28.936 30.050 -1.114 19394 161 1 . 1 1 96 96 GLN H H 96 8.256 8.256 8.638 -0.382 19394 162 1 . 1 1 97 97 GLY N N 97 109.195 109.195 110.273 -1.079 19394 163 1 . 1 1 97 97 GLY H H 97 7.926 7.926 8.545 -0.619 19394 164 1 . 1 1 98 98 LYS N N 98 120.394 120.394 123.211 -2.817 19394 165 1 . 1 1 98 98 LYS HA H 98 4.302 4.302 4.447 -0.145 19394 166 1 . 1 1 98 98 LYS CA C 98 55.640 55.640 55.961 -0.321 19394 167 1 . 1 1 98 98 LYS CB C 98 32.448 32.448 32.341 0.107 19394 168 1 . 1 1 98 98 LYS H H 98 8.145 8.145 8.587 -0.442 19394 stop_ save_