data_18205 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18205 _Entry.PDB_ID 2LOB 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 18205 _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 28 28 ILE N N 28 121.959 121.959 122.226 -0.267 18205 2 1 1 . 1 1 28 28 ILE CA C 28 60.071 60.071 61.028 -0.957 18205 3 1 1 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.511 -2.301 18205 4 1 1 . 1 1 29 29 ARG N N 29 127.240 127.240 126.905 0.335 18205 5 1 1 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.149 -2.730 18205 6 1 1 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.797 -2.722 18205 7 1 1 . 1 1 30 30 LYS N N 30 120.323 120.323 122.801 -2.478 18205 8 1 1 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.913 -3.297 18205 9 1 1 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.940 -2.408 18205 10 1 1 . 1 1 31 31 VAL N N 31 125.472 125.472 124.092 1.380 18205 11 1 1 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.225 -2.269 18205 12 1 1 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.911 1.147 18205 13 1 1 . 1 1 32 32 LEU N N 32 128.344 128.344 126.796 1.548 18205 14 1 1 . 1 1 32 32 LEU CA C 32 51.517 51.517 55.037 -3.520 18205 15 1 1 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.248 -1.788 18205 16 1 1 . 1 1 33 33 LEU N N 33 127.285 127.285 126.733 0.552 18205 17 1 1 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.515 -2.227 18205 18 1 1 . 1 1 33 33 LEU CB C 33 43.190 43.190 42.933 0.257 18205 19 1 1 . 1 1 34 34 LEU N N 34 125.280 125.280 126.821 -1.541 18205 20 1 1 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.405 -2.820 18205 21 1 1 . 1 1 34 34 LEU CB C 34 41.323 41.323 43.249 -1.926 18205 22 1 1 . 1 1 35 35 LYS N N 35 123.438 123.438 121.999 1.439 18205 23 1 1 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.924 -3.853 18205 24 1 1 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.345 -0.453 18205 25 1 1 . 1 1 36 36 GLU N N 36 125.677 125.677 122.602 3.075 18205 26 1 1 . 1 1 36 36 GLU CA C 36 53.582 53.582 55.601 -2.019 18205 27 1 1 . 1 1 38 38 HIS CA C 38 53.922 53.922 58.087 -4.165 18205 28 1 1 . 1 1 38 38 HIS CB C 38 28.061 28.061 29.645 -1.585 18205 29 1 1 . 1 1 39 39 GLU N N 39 120.209 120.209 117.629 2.580 18205 30 1 1 . 1 1 39 39 GLU CA C 39 52.726 52.726 57.769 -5.043 18205 31 1 1 . 1 1 39 39 GLU CB C 39 30.445 30.445 28.715 1.730 18205 32 1 1 . 1 1 40 40 GLY N N 40 108.547 108.547 108.184 0.363 18205 33 1 1 . 1 1 40 40 GLY CA C 40 41.510 41.510 45.225 -3.715 18205 34 1 1 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.212 -1.173 18205 35 1 1 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.373 -0.401 18205 36 1 1 . 1 1 43 43 ILE CA C 43 56.373 56.373 60.291 -3.918 18205 37 1 1 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.309 -0.087 18205 38 1 1 . 1 1 44 44 SER N N 44 117.527 117.527 121.589 -4.062 18205 39 1 1 . 1 1 44 44 SER CA C 44 55.141 55.141 57.665 -2.524 18205 40 1 1 . 1 1 45 45 ILE N N 45 116.121 116.121 121.500 -5.379 18205 41 1 1 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.516 -4.029 18205 42 1 1 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.180 0.577 18205 43 1 1 . 1 1 46 46 THR N N 46 115.974 115.974 116.116 -0.142 18205 44 1 1 . 1 1 46 46 THR CA C 46 56.999 56.999 62.387 -5.388 18205 45 1 1 . 1 1 46 46 THR CB C 46 69.003 69.003 70.211 -1.208 18205 46 1 1 . 1 1 47 47 GLY N N 47 107.491 107.491 109.582 -2.091 18205 47 1 1 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.318 -2.428 18205 48 1 1 . 1 1 48 48 GLY N N 48 106.552 106.552 107.950 -1.398 18205 49 1 1 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.535 -3.716 18205 50 1 1 . 1 1 49 49 LYS N N 49 120.570 120.570 120.667 -0.097 18205 51 1 1 . 1 1 49 49 LYS CA C 49 57.163 57.163 57.571 -0.408 18205 52 1 1 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.726 -1.560 18205 53 1 1 . 1 1 50 50 GLU CA C 50 56.742 56.742 57.269 -0.527 18205 54 1 1 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.615 -3.908 18205 55 1 1 . 1 1 51 51 HIS N N 51 118.188 118.188 118.223 -0.035 18205 56 1 1 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.415 -3.217 18205 57 1 1 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.726 -0.377 18205 58 1 1 . 1 1 52 52 GLY N N 52 107.553 107.553 110.800 -3.247 18205 59 1 1 . 1 1 52 52 GLY CA C 52 43.849 43.849 46.048 -2.199 18205 60 1 1 . 1 1 53 53 VAL N N 53 112.183 112.183 116.367 -4.184 18205 61 1 1 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.041 -3.985 18205 62 1 1 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.334 -2.273 18205 63 1 1 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.503 -2.512 18205 64 1 1 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.112 -1.607 18205 65 1 1 . 1 1 55 55 ILE N N 55 118.060 118.060 122.701 -4.641 18205 66 1 1 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.426 -4.586 18205 67 1 1 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.404 -4.063 18205 68 1 1 . 1 1 56 56 LEU N N 56 128.674 128.674 128.505 0.169 18205 69 1 1 . 1 1 56 56 LEU CA C 56 50.633 50.633 54.250 -3.617 18205 70 1 1 . 1 1 56 56 LEU CB C 56 43.818 43.818 43.421 0.397 18205 71 1 1 . 1 1 57 57 ILE N N 57 119.781 119.781 122.135 -2.354 18205 72 1 1 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.264 -1.369 18205 73 1 1 . 1 1 57 57 ILE CB C 57 34.806 34.806 38.492 -3.686 18205 74 1 1 . 1 1 58 58 SER N N 58 125.216 125.216 119.004 6.212 18205 75 1 1 . 1 1 58 58 SER CA C 58 56.128 56.128 57.861 -1.734 18205 76 1 1 . 1 1 58 58 SER CB C 58 62.471 62.471 63.571 -1.100 18205 77 1 1 . 1 1 59 59 GLU N N 59 119.507 119.507 121.587 -2.080 18205 78 1 1 . 1 1 59 59 GLU CA C 59 54.405 54.405 56.057 -1.652 18205 79 1 1 . 1 1 59 59 GLU CB C 59 32.308 32.308 30.834 1.474 18205 80 1 1 . 1 1 60 60 ILE N N 60 123.253 123.253 125.084 -1.831 18205 81 1 1 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.548 -3.553 18205 82 1 1 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.923 -2.578 18205 83 1 1 . 1 1 61 61 HIS N N 61 127.960 127.960 125.687 2.273 18205 84 1 1 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.673 -3.054 18205 85 1 1 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.104 -1.950 18205 86 1 1 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.705 -1.880 18205 87 1 1 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.157 -2.400 18205 88 1 1 . 1 1 63 63 GLY N N 63 113.000 113.000 109.633 3.367 18205 89 1 1 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.623 -2.227 18205 90 1 1 . 1 1 64 64 GLN N N 64 120.180 120.180 119.226 0.954 18205 91 1 1 . 1 1 64 64 GLN CA C 64 53.359 53.359 53.965 -0.606 18205 92 1 1 . 1 1 65 65 PRO CA C 65 66.193 66.193 65.157 1.036 18205 93 1 1 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.701 -2.038 18205 94 1 1 . 1 1 66 66 ALA N N 66 118.252 118.252 120.918 -2.666 18205 95 1 1 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.585 -0.585 18205 96 1 1 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.387 -1.663 18205 97 1 1 . 1 1 67 67 ASP N N 67 122.174 122.174 118.704 3.470 18205 98 1 1 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.311 -0.016 18205 99 1 1 . 1 1 67 67 ASP CB C 67 40.741 40.741 40.953 -0.212 18205 100 1 1 . 1 1 68 68 ARG N N 68 114.787 114.787 119.664 -4.877 18205 101 1 1 . 1 1 68 68 ARG CA C 68 57.101 57.101 56.757 0.344 18205 102 1 1 . 1 1 68 68 ARG CB C 68 28.636 28.636 29.887 -1.251 18205 103 1 1 . 1 1 69 69 CYS N N 69 113.352 113.352 120.313 -6.961 18205 104 1 1 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.233 -1.713 18205 105 1 1 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.733 -1.348 18205 106 1 1 . 1 1 70 70 GLY N N 70 108.658 108.658 109.820 -1.162 18205 107 1 1 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.650 -1.498 18205 108 1 1 . 1 1 71 71 GLY N N 71 105.700 105.700 107.415 -1.715 18205 109 1 1 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.685 -2.074 18205 110 1 1 . 1 1 72 72 LEU N N 72 118.948 118.948 122.927 -3.979 18205 111 1 1 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.490 -2.918 18205 112 1 1 . 1 1 72 72 LEU CB C 72 43.132 43.132 42.968 0.164 18205 113 1 1 . 1 1 73 73 HIS N N 73 120.035 120.035 118.980 1.055 18205 114 1 1 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.086 -2.929 18205 115 1 1 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.673 -0.006 18205 116 1 1 . 1 1 74 74 VAL N N 74 121.892 121.892 122.380 -0.488 18205 117 1 1 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.500 -1.296 18205 118 1 1 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.386 -3.500 18205 119 1 1 . 1 1 75 75 GLY N N 75 116.308 116.308 112.062 4.246 18205 120 1 1 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.362 -2.962 18205 121 1 1 . 1 1 76 76 ASP N N 76 119.933 119.933 121.771 -1.838 18205 122 1 1 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.621 -1.178 18205 123 1 1 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.388 -2.644 18205 124 1 1 . 1 1 77 77 ALA N N 77 122.682 122.682 126.339 -3.657 18205 125 1 1 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.558 -4.033 18205 126 1 1 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.537 -1.858 18205 127 1 1 . 1 1 78 78 ILE N N 78 119.564 119.564 123.861 -4.297 18205 128 1 1 . 1 1 78 78 ILE CA C 78 58.888 58.888 60.904 -2.015 18205 129 1 1 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.814 -4.102 18205 130 1 1 . 1 1 79 79 LEU N N 79 126.215 126.215 126.889 -0.674 18205 131 1 1 . 1 1 79 79 LEU CA C 79 53.417 53.417 54.874 -1.457 18205 132 1 1 . 1 1 79 79 LEU CB C 79 39.430 39.430 41.632 -2.201 18205 133 1 1 . 1 1 80 80 ALA N N 80 116.961 116.961 123.211 -6.250 18205 134 1 1 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.615 -1.996 18205 135 1 1 . 1 1 80 80 ALA CB C 80 20.198 20.198 21.055 -0.857 18205 136 1 1 . 1 1 81 81 VAL N N 81 115.533 115.533 121.459 -5.926 18205 137 1 1 . 1 1 81 81 VAL CA C 81 56.150 56.150 62.078 -5.928 18205 138 1 1 . 1 1 81 81 VAL CB C 81 32.135 32.135 33.417 -1.282 18205 139 1 1 . 1 1 82 82 ASN N N 82 126.719 126.719 119.710 7.009 18205 140 1 1 . 1 1 82 82 ASN CA C 82 51.274 51.274 54.671 -3.397 18205 141 1 1 . 1 1 82 82 ASN CB C 82 35.078 35.078 37.226 -2.148 18205 142 1 1 . 1 1 83 83 GLY N N 83 102.614 102.614 106.969 -4.355 18205 143 1 1 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.056 -1.959 18205 144 1 1 . 1 1 84 84 VAL N N 84 124.896 124.896 119.274 5.622 18205 145 1 1 . 1 1 84 84 VAL CA C 84 60.305 60.305 64.224 -3.919 18205 146 1 1 . 1 1 84 84 VAL CB C 84 28.838 28.838 30.603 -1.765 18205 147 1 1 . 1 1 85 85 ASN N N 85 125.676 125.676 125.165 0.511 18205 148 1 1 . 1 1 85 85 ASN CA C 85 51.954 51.954 52.488 -0.534 18205 149 1 1 . 1 1 85 85 ASN CB C 85 36.594 36.594 39.918 -3.324 18205 150 1 1 . 1 1 86 86 LEU N N 86 126.803 126.803 123.091 3.712 18205 151 1 1 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.162 -2.507 18205 152 1 1 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.614 -1.594 18205 153 1 1 . 1 1 87 87 ARG N N 87 122.878 122.878 123.005 -0.127 18205 154 1 1 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.944 0.652 18205 155 1 1 . 1 1 88 88 ASP N N 88 117.719 117.719 122.699 -4.980 18205 156 1 1 . 1 1 88 88 ASP CA C 88 51.537 51.537 53.868 -2.331 18205 157 1 1 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.016 -2.940 18205 158 1 1 . 1 1 89 89 THR N N 89 110.895 110.895 116.056 -5.161 18205 159 1 1 . 1 1 89 89 THR CA C 89 59.675 59.675 62.109 -2.434 18205 160 1 1 . 1 1 89 89 THR CB C 89 68.534 68.534 69.547 -1.013 18205 161 1 1 . 1 1 90 90 LYS N N 90 124.873 124.873 120.824 4.049 18205 162 1 1 . 1 1 90 90 LYS CA C 90 54.570 54.570 55.683 -1.113 18205 163 1 1 . 1 1 91 91 HIS N N 91 124.719 124.719 120.434 4.285 18205 164 1 1 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.745 3.015 18205 165 1 1 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.201 -1.841 18205 166 1 1 . 1 1 92 92 LYS N N 92 115.079 115.079 120.844 -5.765 18205 167 1 1 . 1 1 92 92 LYS CA C 92 57.157 57.157 57.326 -0.169 18205 168 1 1 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.632 -2.849 18205 169 1 1 . 1 1 93 93 GLU N N 93 118.333 118.333 120.160 -1.827 18205 170 1 1 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.283 -0.864 18205 171 1 1 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.785 -2.311 18205 172 1 1 . 1 1 94 94 ALA N N 94 122.048 122.048 123.051 -1.003 18205 173 1 1 . 1 1 94 94 ALA CA C 94 53.239 53.239 52.573 0.666 18205 174 1 1 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.585 -2.481 18205 175 1 1 . 1 1 95 95 VAL N N 95 117.243 117.243 119.698 -2.455 18205 176 1 1 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.964 0.017 18205 177 1 1 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.994 -1.655 18205 178 1 1 . 1 1 96 96 THR N N 96 117.301 117.301 113.653 3.648 18205 179 1 1 . 1 1 96 96 THR CA C 96 64.797 64.797 63.782 1.015 18205 180 1 1 . 1 1 96 96 THR CB C 96 66.627 66.627 68.646 -2.019 18205 181 1 1 . 1 1 97 97 ILE N N 97 122.420 122.420 122.032 0.388 18205 182 1 1 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.309 0.931 18205 183 1 1 . 1 1 97 97 ILE CB C 97 36.450 36.450 37.523 -1.073 18205 184 1 1 . 1 1 98 98 LEU N N 98 120.107 120.107 118.740 1.367 18205 185 1 1 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.417 0.372 18205 186 1 1 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.256 -1.243 18205 187 1 1 . 1 1 99 99 SER N N 99 112.880 112.880 115.208 -2.328 18205 188 1 1 . 1 1 99 99 SER CA C 99 58.819 58.819 59.777 -0.958 18205 189 1 1 . 1 1 99 99 SER CB C 99 61.198 61.198 62.958 -1.760 18205 190 1 1 . 1 1 100 100 GLN N N 100 117.981 117.981 120.599 -2.618 18205 191 1 1 . 1 1 100 100 GLN CA C 100 53.348 53.348 56.178 -2.830 18205 192 1 1 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.526 -1.494 18205 193 1 1 . 1 1 101 101 GLN N N 101 115.893 115.893 120.704 -4.811 18205 194 1 1 . 1 1 101 101 GLN CA C 101 52.015 52.015 56.463 -4.448 18205 195 1 1 . 1 1 101 101 GLN CB C 101 25.793 25.793 28.728 -2.935 18205 196 1 1 . 1 1 102 102 ARG N N 102 121.538 121.538 118.207 3.331 18205 197 1 1 . 1 1 102 102 ARG CA C 102 52.901 52.901 56.193 -3.292 18205 198 1 1 . 1 1 102 102 ARG CB C 102 31.633 31.633 31.420 0.213 18205 199 1 1 . 1 1 103 103 GLY N N 103 109.723 109.723 108.587 1.136 18205 200 1 1 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.619 -1.324 18205 201 1 1 . 1 1 104 104 GLU N N 104 125.678 125.678 120.983 4.695 18205 202 1 1 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.550 -1.711 18205 203 1 1 . 1 1 104 104 GLU CB C 104 27.639 27.639 30.232 -2.593 18205 204 1 1 . 1 1 105 105 ILE N N 105 128.616 128.616 125.449 3.167 18205 205 1 1 . 1 1 105 105 ILE CA C 105 58.409 58.409 60.872 -2.463 18205 206 1 1 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.888 -0.445 18205 207 1 1 . 1 1 106 106 GLU N N 106 126.992 126.992 127.043 -0.051 18205 208 1 1 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.062 -3.406 18205 209 1 1 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.500 -0.446 18205 210 1 1 . 1 1 107 107 PHE N N 107 127.766 127.766 123.246 4.520 18205 211 1 1 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.275 -2.699 18205 212 1 1 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.548 -0.460 18205 213 1 1 . 1 1 108 108 GLU N N 108 122.925 122.925 124.257 -1.332 18205 214 1 1 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.574 -1.988 18205 215 1 1 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.853 -2.423 18205 216 1 1 . 1 1 109 109 VAL N N 109 117.483 117.483 120.109 -2.626 18205 217 1 1 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.454 -5.549 18205 218 1 1 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.477 1.387 18205 219 1 1 . 1 1 110 110 VAL N N 110 116.769 116.769 121.726 -4.957 18205 220 1 1 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.459 -3.507 18205 221 1 1 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.465 -0.139 18205 222 1 1 . 1 1 111 111 TYR N N 111 129.843 129.843 123.150 6.693 18205 223 1 1 . 1 1 111 111 TYR CA C 111 56.831 56.831 57.917 -1.086 18205 224 1 1 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.490 -3.018 18205 225 1 2 . 1 1 28 28 ILE N N 28 121.959 121.959 121.262 0.697 18205 226 1 2 . 1 1 28 28 ILE CA C 28 60.071 60.071 60.805 -0.734 18205 227 1 2 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.759 -2.549 18205 228 1 2 . 1 1 29 29 ARG N N 29 127.240 127.240 126.259 0.981 18205 229 1 2 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.369 -2.950 18205 230 1 2 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.772 -2.697 18205 231 1 2 . 1 1 30 30 LYS N N 30 120.323 120.323 122.560 -2.237 18205 232 1 2 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.751 -3.135 18205 233 1 2 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.786 -2.254 18205 234 1 2 . 1 1 31 31 VAL N N 31 125.472 125.472 123.802 1.670 18205 235 1 2 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.252 -2.296 18205 236 1 2 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.963 1.095 18205 237 1 2 . 1 1 32 32 LEU N N 32 128.344 128.344 126.747 1.597 18205 238 1 2 . 1 1 32 32 LEU CA C 32 51.517 51.517 54.992 -3.475 18205 239 1 2 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.361 -1.901 18205 240 1 2 . 1 1 33 33 LEU N N 33 127.285 127.285 126.895 0.390 18205 241 1 2 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.536 -2.248 18205 242 1 2 . 1 1 33 33 LEU CB C 33 43.190 43.190 42.867 0.323 18205 243 1 2 . 1 1 34 34 LEU N N 34 125.280 125.280 127.305 -2.025 18205 244 1 2 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.711 -3.126 18205 245 1 2 . 1 1 34 34 LEU CB C 34 41.323 41.323 43.089 -1.766 18205 246 1 2 . 1 1 35 35 LYS N N 35 123.438 123.438 122.367 1.071 18205 247 1 2 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.597 -3.526 18205 248 1 2 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.124 -0.232 18205 249 1 2 . 1 1 36 36 GLU N N 36 125.677 125.677 121.841 3.836 18205 250 1 2 . 1 1 36 36 GLU CA C 36 53.582 53.582 56.460 -2.878 18205 251 1 2 . 1 1 38 38 HIS CA C 38 53.922 53.922 56.673 -2.751 18205 252 1 2 . 1 1 38 38 HIS CB C 38 28.061 28.061 28.216 -0.155 18205 253 1 2 . 1 1 39 39 GLU N N 39 120.209 120.209 121.713 -1.504 18205 254 1 2 . 1 1 39 39 GLU CA C 39 52.726 52.726 57.165 -4.439 18205 255 1 2 . 1 1 39 39 GLU CB C 39 30.445 30.445 29.286 1.159 18205 256 1 2 . 1 1 40 40 GLY N N 40 108.547 108.547 110.474 -1.927 18205 257 1 2 . 1 1 40 40 GLY CA C 40 41.510 41.510 45.031 -3.521 18205 258 1 2 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.254 -1.215 18205 259 1 2 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.352 -0.380 18205 260 1 2 . 1 1 43 43 ILE CA C 43 56.373 56.373 60.286 -3.913 18205 261 1 2 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.305 -0.083 18205 262 1 2 . 1 1 44 44 SER N N 44 117.527 117.527 121.113 -3.586 18205 263 1 2 . 1 1 44 44 SER CA C 44 55.141 55.141 57.589 -2.448 18205 264 1 2 . 1 1 45 45 ILE N N 45 116.121 116.121 121.477 -5.356 18205 265 1 2 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.475 -3.988 18205 266 1 2 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.670 0.087 18205 267 1 2 . 1 1 46 46 THR N N 46 115.974 115.974 114.553 1.421 18205 268 1 2 . 1 1 46 46 THR CA C 46 56.999 56.999 61.716 -4.717 18205 269 1 2 . 1 1 46 46 THR CB C 46 69.003 69.003 70.165 -1.162 18205 270 1 2 . 1 1 47 47 GLY N N 47 107.491 107.491 108.558 -1.067 18205 271 1 2 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.274 -2.384 18205 272 1 2 . 1 1 48 48 GLY N N 48 106.552 106.552 108.183 -1.631 18205 273 1 2 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.758 -3.939 18205 274 1 2 . 1 1 49 49 LYS N N 49 120.570 120.570 120.605 -0.035 18205 275 1 2 . 1 1 49 49 LYS CA C 49 57.163 57.163 58.144 -0.981 18205 276 1 2 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.582 -1.416 18205 277 1 2 . 1 1 50 50 GLU CA C 50 56.742 56.742 57.793 -1.051 18205 278 1 2 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.349 -3.642 18205 279 1 2 . 1 1 51 51 HIS N N 51 118.188 118.188 118.220 -0.032 18205 280 1 2 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.354 -3.156 18205 281 1 2 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.311 0.038 18205 282 1 2 . 1 1 52 52 GLY N N 52 107.553 107.553 110.809 -3.256 18205 283 1 2 . 1 1 52 52 GLY CA C 52 43.849 43.849 46.046 -2.197 18205 284 1 2 . 1 1 53 53 VAL N N 53 112.183 112.183 116.526 -4.343 18205 285 1 2 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.125 -4.069 18205 286 1 2 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.305 -2.244 18205 287 1 2 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.483 -2.492 18205 288 1 2 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.016 -1.511 18205 289 1 2 . 1 1 55 55 ILE N N 55 118.060 118.060 121.866 -3.806 18205 290 1 2 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.860 -5.020 18205 291 1 2 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.369 -4.028 18205 292 1 2 . 1 1 56 56 LEU N N 56 128.674 128.674 128.086 0.588 18205 293 1 2 . 1 1 56 56 LEU CA C 56 50.633 50.633 53.760 -3.127 18205 294 1 2 . 1 1 56 56 LEU CB C 56 43.818 43.818 44.152 -0.334 18205 295 1 2 . 1 1 57 57 ILE N N 57 119.781 119.781 121.916 -2.135 18205 296 1 2 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.212 -1.317 18205 297 1 2 . 1 1 57 57 ILE CB C 57 34.806 34.806 39.196 -4.389 18205 298 1 2 . 1 1 58 58 SER N N 58 125.216 125.216 119.409 5.807 18205 299 1 2 . 1 1 58 58 SER CA C 58 56.128 56.128 57.905 -1.777 18205 300 1 2 . 1 1 58 58 SER CB C 58 62.471 62.471 63.323 -0.852 18205 301 1 2 . 1 1 59 59 GLU N N 59 119.507 119.507 121.700 -2.193 18205 302 1 2 . 1 1 59 59 GLU CA C 59 54.405 54.405 55.664 -1.259 18205 303 1 2 . 1 1 59 59 GLU CB C 59 32.308 32.308 30.552 1.756 18205 304 1 2 . 1 1 60 60 ILE N N 60 123.253 123.253 125.740 -2.487 18205 305 1 2 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.423 -3.428 18205 306 1 2 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.845 -2.500 18205 307 1 2 . 1 1 61 61 HIS N N 61 127.960 127.960 125.718 2.242 18205 308 1 2 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.485 -2.866 18205 309 1 2 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.030 -1.876 18205 310 1 2 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.819 -1.994 18205 311 1 2 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.194 -2.437 18205 312 1 2 . 1 1 63 63 GLY N N 63 113.000 113.000 109.528 3.472 18205 313 1 2 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.322 -1.926 18205 314 1 2 . 1 1 64 64 GLN N N 64 120.180 120.180 119.435 0.745 18205 315 1 2 . 1 1 64 64 GLN CA C 64 53.359 53.359 53.622 -0.263 18205 316 1 2 . 1 1 65 65 PRO CA C 65 66.193 66.193 65.300 0.893 18205 317 1 2 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.784 -2.121 18205 318 1 2 . 1 1 66 66 ALA N N 66 118.252 118.252 120.949 -2.697 18205 319 1 2 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.413 -0.412 18205 320 1 2 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.531 -1.807 18205 321 1 2 . 1 1 67 67 ASP N N 67 122.174 122.174 118.894 3.280 18205 322 1 2 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.081 0.214 18205 323 1 2 . 1 1 67 67 ASP CB C 67 40.741 40.741 41.029 -0.288 18205 324 1 2 . 1 1 68 68 ARG N N 68 114.787 114.787 120.323 -5.536 18205 325 1 2 . 1 1 68 68 ARG CA C 68 57.101 57.101 56.321 0.781 18205 326 1 2 . 1 1 68 68 ARG CB C 68 28.636 28.636 29.720 -1.084 18205 327 1 2 . 1 1 69 69 CYS N N 69 113.352 113.352 119.818 -6.466 18205 328 1 2 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.269 -1.749 18205 329 1 2 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.618 -1.233 18205 330 1 2 . 1 1 70 70 GLY N N 70 108.658 108.658 109.881 -1.223 18205 331 1 2 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.670 -1.518 18205 332 1 2 . 1 1 71 71 GLY N N 71 105.700 105.700 107.534 -1.834 18205 333 1 2 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.797 -2.186 18205 334 1 2 . 1 1 72 72 LEU N N 72 118.948 118.948 122.076 -3.128 18205 335 1 2 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.730 -3.158 18205 336 1 2 . 1 1 72 72 LEU CB C 72 43.132 43.132 43.652 -0.520 18205 337 1 2 . 1 1 73 73 HIS N N 73 120.035 120.035 118.931 1.104 18205 338 1 2 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.282 -3.125 18205 339 1 2 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.771 -0.104 18205 340 1 2 . 1 1 74 74 VAL N N 74 121.892 121.892 123.538 -1.646 18205 341 1 2 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.031 -0.827 18205 342 1 2 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.045 -3.159 18205 343 1 2 . 1 1 75 75 GLY N N 75 116.308 116.308 112.666 3.642 18205 344 1 2 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.285 -2.885 18205 345 1 2 . 1 1 76 76 ASP N N 76 119.933 119.933 121.676 -1.743 18205 346 1 2 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.681 -1.238 18205 347 1 2 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.381 -2.637 18205 348 1 2 . 1 1 77 77 ALA N N 77 122.682 122.682 126.224 -3.542 18205 349 1 2 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.576 -4.051 18205 350 1 2 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.511 -1.832 18205 351 1 2 . 1 1 78 78 ILE N N 78 119.564 119.564 124.746 -5.182 18205 352 1 2 . 1 1 78 78 ILE CA C 78 58.888 58.888 60.913 -2.025 18205 353 1 2 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.658 -3.946 18205 354 1 2 . 1 1 79 79 LEU N N 79 126.215 126.215 127.112 -0.897 18205 355 1 2 . 1 1 79 79 LEU CA C 79 53.417 53.417 55.443 -2.026 18205 356 1 2 . 1 1 79 79 LEU CB C 79 39.430 39.430 40.930 -1.500 18205 357 1 2 . 1 1 80 80 ALA N N 80 116.961 116.961 122.308 -5.347 18205 358 1 2 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.809 -2.190 18205 359 1 2 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.389 -0.191 18205 360 1 2 . 1 1 81 81 VAL N N 81 115.533 115.533 117.570 -2.037 18205 361 1 2 . 1 1 81 81 VAL CA C 81 56.150 56.150 61.858 -5.708 18205 362 1 2 . 1 1 81 81 VAL CB C 81 32.135 32.135 32.798 -0.663 18205 363 1 2 . 1 1 82 82 ASN N N 82 126.719 126.719 118.815 7.904 18205 364 1 2 . 1 1 82 82 ASN CA C 82 51.274 51.274 55.048 -3.774 18205 365 1 2 . 1 1 82 82 ASN CB C 82 35.078 35.078 36.885 -1.807 18205 366 1 2 . 1 1 83 83 GLY N N 83 102.614 102.614 106.039 -3.425 18205 367 1 2 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.059 -1.962 18205 368 1 2 . 1 1 84 84 VAL N N 84 124.896 124.896 122.067 2.829 18205 369 1 2 . 1 1 84 84 VAL CA C 84 60.305 60.305 61.150 -0.845 18205 370 1 2 . 1 1 84 84 VAL CB C 84 28.838 28.838 33.479 -4.641 18205 371 1 2 . 1 1 85 85 ASN N N 85 125.676 125.676 123.656 2.020 18205 372 1 2 . 1 1 85 85 ASN CA C 85 51.954 51.954 52.965 -1.011 18205 373 1 2 . 1 1 85 85 ASN CB C 85 36.594 36.594 39.469 -2.875 18205 374 1 2 . 1 1 86 86 LEU N N 86 126.803 126.803 123.735 3.068 18205 375 1 2 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.529 -2.874 18205 376 1 2 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.457 -1.437 18205 377 1 2 . 1 1 87 87 ARG N N 87 122.878 122.878 122.992 -0.114 18205 378 1 2 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.959 0.637 18205 379 1 2 . 1 1 88 88 ASP N N 88 117.719 117.719 121.989 -4.270 18205 380 1 2 . 1 1 88 88 ASP CA C 88 51.537 51.537 53.740 -2.203 18205 381 1 2 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.701 -3.625 18205 382 1 2 . 1 1 89 89 THR N N 89 110.895 110.895 115.849 -4.954 18205 383 1 2 . 1 1 89 89 THR CA C 89 59.675 59.675 63.186 -3.511 18205 384 1 2 . 1 1 89 89 THR CB C 89 68.534 68.534 68.797 -0.263 18205 385 1 2 . 1 1 90 90 LYS N N 90 124.873 124.873 121.232 3.641 18205 386 1 2 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.104 -1.534 18205 387 1 2 . 1 1 91 91 HIS N N 91 124.719 124.719 121.796 2.923 18205 388 1 2 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.708 3.053 18205 389 1 2 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.258 -1.898 18205 390 1 2 . 1 1 92 92 LYS N N 92 115.079 115.079 121.005 -5.926 18205 391 1 2 . 1 1 92 92 LYS CA C 92 57.157 57.157 57.015 0.142 18205 392 1 2 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.620 -2.837 18205 393 1 2 . 1 1 93 93 GLU N N 93 118.333 118.333 120.631 -2.298 18205 394 1 2 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.075 -0.656 18205 395 1 2 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.868 -2.394 18205 396 1 2 . 1 1 94 94 ALA N N 94 122.048 122.048 123.138 -1.090 18205 397 1 2 . 1 1 94 94 ALA CA C 94 53.239 53.239 52.819 0.420 18205 398 1 2 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.429 -2.325 18205 399 1 2 . 1 1 95 95 VAL N N 95 117.243 117.243 119.618 -2.375 18205 400 1 2 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.828 0.153 18205 401 1 2 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.289 -0.950 18205 402 1 2 . 1 1 96 96 THR N N 96 117.301 117.301 114.149 3.152 18205 403 1 2 . 1 1 96 96 THR CA C 96 64.797 64.797 63.510 1.287 18205 404 1 2 . 1 1 96 96 THR CB C 96 66.627 66.627 68.646 -2.019 18205 405 1 2 . 1 1 97 97 ILE N N 97 122.420 122.420 122.165 0.255 18205 406 1 2 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.517 0.723 18205 407 1 2 . 1 1 97 97 ILE CB C 97 36.450 36.450 36.885 -0.435 18205 408 1 2 . 1 1 98 98 LEU N N 98 120.107 120.107 119.827 0.280 18205 409 1 2 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.273 0.516 18205 410 1 2 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.392 -1.379 18205 411 1 2 . 1 1 99 99 SER N N 99 112.880 112.880 115.635 -2.755 18205 412 1 2 . 1 1 99 99 SER CA C 99 58.819 58.819 60.028 -1.209 18205 413 1 2 . 1 1 99 99 SER CB C 99 61.198 61.198 62.944 -1.746 18205 414 1 2 . 1 1 100 100 GLN N N 100 117.981 117.981 120.180 -2.199 18205 415 1 2 . 1 1 100 100 GLN CA C 100 53.348 53.348 55.776 -2.428 18205 416 1 2 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.943 -1.911 18205 417 1 2 . 1 1 101 101 GLN N N 101 115.893 115.893 120.628 -4.735 18205 418 1 2 . 1 1 101 101 GLN CA C 101 52.015 52.015 56.562 -4.548 18205 419 1 2 . 1 1 101 101 GLN CB C 101 25.793 25.793 28.745 -2.952 18205 420 1 2 . 1 1 102 102 ARG N N 102 121.538 121.538 118.736 2.802 18205 421 1 2 . 1 1 102 102 ARG CA C 102 52.901 52.901 55.906 -3.005 18205 422 1 2 . 1 1 102 102 ARG CB C 102 31.633 31.633 31.475 0.158 18205 423 1 2 . 1 1 103 103 GLY N N 103 109.723 109.723 108.846 0.877 18205 424 1 2 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.526 -1.231 18205 425 1 2 . 1 1 104 104 GLU N N 104 125.678 125.678 120.816 4.862 18205 426 1 2 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.382 -1.543 18205 427 1 2 . 1 1 104 104 GLU CB C 104 27.639 27.639 31.184 -3.545 18205 428 1 2 . 1 1 105 105 ILE N N 105 128.616 128.616 123.924 4.692 18205 429 1 2 . 1 1 105 105 ILE CA C 105 58.409 58.409 60.679 -2.270 18205 430 1 2 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.531 -0.088 18205 431 1 2 . 1 1 106 106 GLU N N 106 126.992 126.992 127.035 -0.043 18205 432 1 2 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.048 -3.392 18205 433 1 2 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.405 -0.351 18205 434 1 2 . 1 1 107 107 PHE N N 107 127.766 127.766 123.609 4.157 18205 435 1 2 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.299 -2.723 18205 436 1 2 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.346 -0.258 18205 437 1 2 . 1 1 108 108 GLU N N 108 122.925 122.925 124.234 -1.309 18205 438 1 2 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.653 -2.067 18205 439 1 2 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.542 -2.112 18205 440 1 2 . 1 1 109 109 VAL N N 109 117.483 117.483 119.961 -2.478 18205 441 1 2 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.470 -5.565 18205 442 1 2 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.596 1.268 18205 443 1 2 . 1 1 110 110 VAL N N 110 116.769 116.769 120.593 -3.824 18205 444 1 2 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.503 -3.551 18205 445 1 2 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.491 -0.165 18205 446 1 2 . 1 1 111 111 TYR N N 111 129.843 129.843 122.801 7.042 18205 447 1 2 . 1 1 111 111 TYR CA C 111 56.831 56.831 57.638 -0.807 18205 448 1 2 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.414 -2.942 18205 449 1 3 . 1 1 28 28 ILE N N 28 121.959 121.959 121.435 0.524 18205 450 1 3 . 1 1 28 28 ILE CA C 28 60.071 60.071 61.007 -0.936 18205 451 1 3 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.728 -2.518 18205 452 1 3 . 1 1 29 29 ARG N N 29 127.240 127.240 125.980 1.260 18205 453 1 3 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.378 -2.959 18205 454 1 3 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.744 -2.669 18205 455 1 3 . 1 1 30 30 LYS N N 30 120.323 120.323 122.594 -2.271 18205 456 1 3 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.806 -3.190 18205 457 1 3 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.809 -2.277 18205 458 1 3 . 1 1 31 31 VAL N N 31 125.472 125.472 124.233 1.239 18205 459 1 3 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.239 -2.283 18205 460 1 3 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.891 1.167 18205 461 1 3 . 1 1 32 32 LEU N N 32 128.344 128.344 126.740 1.604 18205 462 1 3 . 1 1 32 32 LEU CA C 32 51.517 51.517 55.081 -3.564 18205 463 1 3 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.290 -1.830 18205 464 1 3 . 1 1 33 33 LEU N N 33 127.285 127.285 126.298 0.987 18205 465 1 3 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.589 -2.301 18205 466 1 3 . 1 1 33 33 LEU CB C 33 43.190 43.190 43.333 -0.143 18205 467 1 3 . 1 1 34 34 LEU N N 34 125.280 125.280 126.806 -1.526 18205 468 1 3 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.506 -2.921 18205 469 1 3 . 1 1 34 34 LEU CB C 34 41.323 41.323 43.194 -1.871 18205 470 1 3 . 1 1 35 35 LYS N N 35 123.438 123.438 122.407 1.031 18205 471 1 3 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.576 -3.505 18205 472 1 3 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.279 -0.387 18205 473 1 3 . 1 1 36 36 GLU N N 36 125.677 125.677 121.212 4.465 18205 474 1 3 . 1 1 36 36 GLU CA C 36 53.582 53.582 55.650 -2.067 18205 475 1 3 . 1 1 38 38 HIS CA C 38 53.922 53.922 57.599 -3.677 18205 476 1 3 . 1 1 38 38 HIS CB C 38 28.061 28.061 27.776 0.284 18205 477 1 3 . 1 1 39 39 GLU N N 39 120.209 120.209 120.946 -0.737 18205 478 1 3 . 1 1 39 39 GLU CA C 39 52.726 52.726 57.495 -4.769 18205 479 1 3 . 1 1 39 39 GLU CB C 39 30.445 30.445 29.575 0.870 18205 480 1 3 . 1 1 40 40 GLY N N 40 108.547 108.547 108.215 0.332 18205 481 1 3 . 1 1 40 40 GLY CA C 40 41.510 41.510 44.762 -3.252 18205 482 1 3 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.671 -1.632 18205 483 1 3 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.412 -0.440 18205 484 1 3 . 1 1 43 43 ILE CA C 43 56.373 56.373 59.890 -3.517 18205 485 1 3 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.310 -0.088 18205 486 1 3 . 1 1 44 44 SER N N 44 117.527 117.527 118.982 -1.455 18205 487 1 3 . 1 1 44 44 SER CA C 44 55.141 55.141 57.699 -2.558 18205 488 1 3 . 1 1 45 45 ILE N N 45 116.121 116.121 121.623 -5.502 18205 489 1 3 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.535 -4.048 18205 490 1 3 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.548 0.208 18205 491 1 3 . 1 1 46 46 THR N N 46 115.974 115.974 114.633 1.341 18205 492 1 3 . 1 1 46 46 THR CA C 46 56.999 56.999 61.750 -4.751 18205 493 1 3 . 1 1 46 46 THR CB C 46 69.003 69.003 70.137 -1.134 18205 494 1 3 . 1 1 47 47 GLY N N 47 107.491 107.491 107.978 -0.487 18205 495 1 3 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.423 -2.533 18205 496 1 3 . 1 1 48 48 GLY N N 48 106.552 106.552 107.710 -1.158 18205 497 1 3 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.699 -3.880 18205 498 1 3 . 1 1 49 49 LYS N N 49 120.570 120.570 120.708 -0.138 18205 499 1 3 . 1 1 49 49 LYS CA C 49 57.163 57.163 58.001 -0.838 18205 500 1 3 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.483 -1.317 18205 501 1 3 . 1 1 50 50 GLU CA C 50 56.742 56.742 57.125 -0.383 18205 502 1 3 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.472 -3.765 18205 503 1 3 . 1 1 51 51 HIS N N 51 118.188 118.188 119.245 -1.057 18205 504 1 3 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.371 -3.173 18205 505 1 3 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.709 -0.360 18205 506 1 3 . 1 1 52 52 GLY N N 52 107.553 107.553 110.704 -3.151 18205 507 1 3 . 1 1 52 52 GLY CA C 52 43.849 43.849 46.037 -2.188 18205 508 1 3 . 1 1 53 53 VAL N N 53 112.183 112.183 116.033 -3.850 18205 509 1 3 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.370 -4.314 18205 510 1 3 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.116 -2.055 18205 511 1 3 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.463 -2.472 18205 512 1 3 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.069 -1.564 18205 513 1 3 . 1 1 55 55 ILE N N 55 118.060 118.060 121.833 -3.773 18205 514 1 3 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.426 -4.586 18205 515 1 3 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.215 -3.874 18205 516 1 3 . 1 1 56 56 LEU N N 56 128.674 128.674 128.824 -0.150 18205 517 1 3 . 1 1 56 56 LEU CA C 56 50.633 50.633 54.348 -3.715 18205 518 1 3 . 1 1 56 56 LEU CB C 56 43.818 43.818 43.528 0.290 18205 519 1 3 . 1 1 57 57 ILE N N 57 119.781 119.781 124.361 -4.580 18205 520 1 3 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.189 -1.294 18205 521 1 3 . 1 1 57 57 ILE CB C 57 34.806 34.806 39.072 -4.266 18205 522 1 3 . 1 1 58 58 SER N N 58 125.216 125.216 118.364 6.852 18205 523 1 3 . 1 1 58 58 SER CA C 58 56.128 56.128 57.704 -1.576 18205 524 1 3 . 1 1 58 58 SER CB C 58 62.471 62.471 63.536 -1.065 18205 525 1 3 . 1 1 59 59 GLU N N 59 119.507 119.507 121.536 -2.029 18205 526 1 3 . 1 1 59 59 GLU CA C 59 54.405 54.405 56.039 -1.634 18205 527 1 3 . 1 1 59 59 GLU CB C 59 32.308 32.308 31.150 1.158 18205 528 1 3 . 1 1 60 60 ILE N N 60 123.253 123.253 125.152 -1.899 18205 529 1 3 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.781 -3.786 18205 530 1 3 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.895 -2.550 18205 531 1 3 . 1 1 61 61 HIS N N 61 127.960 127.960 125.588 2.372 18205 532 1 3 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.193 -2.574 18205 533 1 3 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.007 -1.853 18205 534 1 3 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.792 -1.967 18205 535 1 3 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.109 -2.352 18205 536 1 3 . 1 1 63 63 GLY N N 63 113.000 113.000 109.833 3.167 18205 537 1 3 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.306 -1.909 18205 538 1 3 . 1 1 64 64 GLN N N 64 120.180 120.180 118.855 1.325 18205 539 1 3 . 1 1 64 64 GLN CA C 64 53.359 53.359 53.482 -0.123 18205 540 1 3 . 1 1 65 65 PRO CA C 65 66.193 66.193 64.691 1.502 18205 541 1 3 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.760 -2.097 18205 542 1 3 . 1 1 66 66 ALA N N 66 118.252 118.252 121.426 -3.174 18205 543 1 3 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.386 -0.386 18205 544 1 3 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.398 -1.674 18205 545 1 3 . 1 1 67 67 ASP N N 67 122.174 122.174 119.212 2.962 18205 546 1 3 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.429 -0.134 18205 547 1 3 . 1 1 67 67 ASP CB C 67 40.741 40.741 40.847 -0.106 18205 548 1 3 . 1 1 68 68 ARG N N 68 114.787 114.787 120.090 -5.303 18205 549 1 3 . 1 1 68 68 ARG CA C 68 57.101 57.101 57.169 -0.068 18205 550 1 3 . 1 1 68 68 ARG CB C 68 28.636 28.636 29.639 -1.003 18205 551 1 3 . 1 1 69 69 CYS N N 69 113.352 113.352 120.001 -6.649 18205 552 1 3 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.342 -1.822 18205 553 1 3 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.504 -1.119 18205 554 1 3 . 1 1 70 70 GLY N N 70 108.658 108.658 109.373 -0.715 18205 555 1 3 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.623 -1.471 18205 556 1 3 . 1 1 71 71 GLY N N 71 105.700 105.700 107.626 -1.926 18205 557 1 3 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.896 -2.285 18205 558 1 3 . 1 1 72 72 LEU N N 72 118.948 118.948 121.923 -2.975 18205 559 1 3 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.828 -3.256 18205 560 1 3 . 1 1 72 72 LEU CB C 72 43.132 43.132 43.462 -0.330 18205 561 1 3 . 1 1 73 73 HIS N N 73 120.035 120.035 118.913 1.122 18205 562 1 3 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.313 -3.156 18205 563 1 3 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.863 -0.196 18205 564 1 3 . 1 1 74 74 VAL N N 74 121.892 121.892 124.088 -2.196 18205 565 1 3 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.007 -0.804 18205 566 1 3 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.127 -3.241 18205 567 1 3 . 1 1 75 75 GLY N N 75 116.308 116.308 112.735 3.573 18205 568 1 3 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.287 -2.887 18205 569 1 3 . 1 1 76 76 ASP N N 76 119.933 119.933 121.769 -1.836 18205 570 1 3 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.748 -1.305 18205 571 1 3 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.444 -2.700 18205 572 1 3 . 1 1 77 77 ALA N N 77 122.682 122.682 126.060 -3.378 18205 573 1 3 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.642 -4.117 18205 574 1 3 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.474 -1.795 18205 575 1 3 . 1 1 78 78 ILE N N 78 119.564 119.564 124.422 -4.858 18205 576 1 3 . 1 1 78 78 ILE CA C 78 58.888 58.888 61.304 -2.416 18205 577 1 3 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.580 -3.868 18205 578 1 3 . 1 1 79 79 LEU N N 79 126.215 126.215 127.782 -1.567 18205 579 1 3 . 1 1 79 79 LEU CA C 79 53.417 53.417 55.246 -1.829 18205 580 1 3 . 1 1 79 79 LEU CB C 79 39.430 39.430 42.563 -3.133 18205 581 1 3 . 1 1 80 80 ALA N N 80 116.961 116.961 121.590 -4.629 18205 582 1 3 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.817 -2.198 18205 583 1 3 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.506 -0.308 18205 584 1 3 . 1 1 81 81 VAL N N 81 115.533 115.533 117.580 -2.047 18205 585 1 3 . 1 1 81 81 VAL CA C 81 56.150 56.150 61.915 -5.765 18205 586 1 3 . 1 1 81 81 VAL CB C 81 32.135 32.135 32.581 -0.446 18205 587 1 3 . 1 1 82 82 ASN N N 82 126.719 126.719 119.775 6.944 18205 588 1 3 . 1 1 82 82 ASN CA C 82 51.274 51.274 54.701 -3.427 18205 589 1 3 . 1 1 82 82 ASN CB C 82 35.078 35.078 37.058 -1.980 18205 590 1 3 . 1 1 83 83 GLY N N 83 102.614 102.614 107.385 -4.771 18205 591 1 3 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.012 -1.915 18205 592 1 3 . 1 1 84 84 VAL N N 84 124.896 124.896 121.164 3.732 18205 593 1 3 . 1 1 84 84 VAL CA C 84 60.305 60.305 61.440 -1.135 18205 594 1 3 . 1 1 84 84 VAL CB C 84 28.838 28.838 33.504 -4.666 18205 595 1 3 . 1 1 85 85 ASN N N 85 125.676 125.676 122.372 3.304 18205 596 1 3 . 1 1 85 85 ASN CA C 85 51.954 51.954 52.922 -0.968 18205 597 1 3 . 1 1 85 85 ASN CB C 85 36.594 36.594 38.880 -2.286 18205 598 1 3 . 1 1 86 86 LEU N N 86 126.803 126.803 123.256 3.547 18205 599 1 3 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.739 -3.084 18205 600 1 3 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.201 -1.181 18205 601 1 3 . 1 1 87 87 ARG N N 87 122.878 122.878 122.793 0.085 18205 602 1 3 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.955 0.641 18205 603 1 3 . 1 1 88 88 ASP N N 88 117.719 117.719 122.917 -5.198 18205 604 1 3 . 1 1 88 88 ASP CA C 88 51.537 51.537 54.055 -2.518 18205 605 1 3 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.620 -3.544 18205 606 1 3 . 1 1 89 89 THR N N 89 110.895 110.895 116.483 -5.588 18205 607 1 3 . 1 1 89 89 THR CA C 89 59.675 59.675 63.497 -3.822 18205 608 1 3 . 1 1 89 89 THR CB C 89 68.534 68.534 68.193 0.341 18205 609 1 3 . 1 1 90 90 LYS N N 90 124.873 124.873 120.819 4.054 18205 610 1 3 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.329 -1.759 18205 611 1 3 . 1 1 91 91 HIS N N 91 124.719 124.719 120.228 4.491 18205 612 1 3 . 1 1 91 91 HIS CA C 91 60.761 60.761 58.037 2.724 18205 613 1 3 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.252 -1.892 18205 614 1 3 . 1 1 92 92 LYS N N 92 115.079 115.079 120.879 -5.800 18205 615 1 3 . 1 1 92 92 LYS CA C 92 57.157 57.157 57.413 -0.256 18205 616 1 3 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.629 -2.846 18205 617 1 3 . 1 1 93 93 GLU N N 93 118.333 118.333 120.442 -2.109 18205 618 1 3 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.155 -0.736 18205 619 1 3 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.794 -2.320 18205 620 1 3 . 1 1 94 94 ALA N N 94 122.048 122.048 123.245 -1.197 18205 621 1 3 . 1 1 94 94 ALA CA C 94 53.239 53.239 53.517 -0.278 18205 622 1 3 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.266 -2.162 18205 623 1 3 . 1 1 95 95 VAL N N 95 117.243 117.243 118.593 -1.350 18205 624 1 3 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.858 0.123 18205 625 1 3 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.069 -0.730 18205 626 1 3 . 1 1 96 96 THR N N 96 117.301 117.301 114.123 3.178 18205 627 1 3 . 1 1 96 96 THR CA C 96 64.797 64.797 63.803 0.994 18205 628 1 3 . 1 1 96 96 THR CB C 96 66.627 66.627 68.492 -1.865 18205 629 1 3 . 1 1 97 97 ILE N N 97 122.420 122.420 121.530 0.890 18205 630 1 3 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.539 0.701 18205 631 1 3 . 1 1 97 97 ILE CB C 97 36.450 36.450 37.823 -1.373 18205 632 1 3 . 1 1 98 98 LEU N N 98 120.107 120.107 119.240 0.867 18205 633 1 3 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.160 0.629 18205 634 1 3 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.592 -1.579 18205 635 1 3 . 1 1 99 99 SER N N 99 112.880 112.880 116.133 -3.253 18205 636 1 3 . 1 1 99 99 SER CA C 99 58.819 58.819 59.808 -0.989 18205 637 1 3 . 1 1 99 99 SER CB C 99 61.198 61.198 62.581 -1.383 18205 638 1 3 . 1 1 100 100 GLN N N 100 117.981 117.981 120.925 -2.944 18205 639 1 3 . 1 1 100 100 GLN CA C 100 53.348 53.348 55.384 -2.036 18205 640 1 3 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.333 -1.301 18205 641 1 3 . 1 1 101 101 GLN N N 101 115.893 115.893 119.323 -3.430 18205 642 1 3 . 1 1 101 101 GLN CA C 101 52.015 52.015 54.675 -2.660 18205 643 1 3 . 1 1 101 101 GLN CB C 101 25.793 25.793 29.320 -3.527 18205 644 1 3 . 1 1 102 102 ARG N N 102 121.538 121.538 120.787 0.751 18205 645 1 3 . 1 1 102 102 ARG CA C 102 52.901 52.901 55.943 -3.042 18205 646 1 3 . 1 1 102 102 ARG CB C 102 31.633 31.633 32.335 -0.702 18205 647 1 3 . 1 1 103 103 GLY N N 103 109.723 109.723 109.645 0.078 18205 648 1 3 . 1 1 103 103 GLY CA C 103 44.295 44.295 44.733 -0.438 18205 649 1 3 . 1 1 104 104 GLU N N 104 125.678 125.678 120.149 5.529 18205 650 1 3 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.862 -2.023 18205 651 1 3 . 1 1 104 104 GLU CB C 104 27.639 27.639 31.487 -3.848 18205 652 1 3 . 1 1 105 105 ILE N N 105 128.616 128.616 123.884 4.732 18205 653 1 3 . 1 1 105 105 ILE CA C 105 58.409 58.409 60.947 -2.538 18205 654 1 3 . 1 1 105 105 ILE CB C 105 38.443 38.443 39.066 -0.622 18205 655 1 3 . 1 1 106 106 GLU N N 106 126.992 126.992 127.495 -0.503 18205 656 1 3 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.010 -3.354 18205 657 1 3 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.509 -0.455 18205 658 1 3 . 1 1 107 107 PHE N N 107 127.766 127.766 123.394 4.372 18205 659 1 3 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.376 -2.800 18205 660 1 3 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.404 -0.316 18205 661 1 3 . 1 1 108 108 GLU N N 108 122.925 122.925 124.237 -1.312 18205 662 1 3 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.558 -1.972 18205 663 1 3 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.628 -2.198 18205 664 1 3 . 1 1 109 109 VAL N N 109 117.483 117.483 119.952 -2.469 18205 665 1 3 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.499 -5.595 18205 666 1 3 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.803 1.061 18205 667 1 3 . 1 1 110 110 VAL N N 110 116.769 116.769 123.231 -6.462 18205 668 1 3 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.795 -3.843 18205 669 1 3 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.369 -0.043 18205 670 1 3 . 1 1 111 111 TYR N N 111 129.843 129.843 126.156 3.687 18205 671 1 3 . 1 1 111 111 TYR CA C 111 56.831 56.831 57.604 -0.773 18205 672 1 3 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.136 -2.664 18205 673 1 4 . 1 1 28 28 ILE N N 28 121.959 121.959 123.111 -1.152 18205 674 1 4 . 1 1 28 28 ILE CA C 28 60.071 60.071 60.801 -0.730 18205 675 1 4 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.712 -2.502 18205 676 1 4 . 1 1 29 29 ARG N N 29 127.240 127.240 126.837 0.403 18205 677 1 4 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.160 -2.741 18205 678 1 4 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.886 -2.811 18205 679 1 4 . 1 1 30 30 LYS N N 30 120.323 120.323 122.702 -2.379 18205 680 1 4 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.904 -3.288 18205 681 1 4 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.957 -2.425 18205 682 1 4 . 1 1 31 31 VAL N N 31 125.472 125.472 124.637 0.835 18205 683 1 4 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.288 -2.332 18205 684 1 4 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.811 1.247 18205 685 1 4 . 1 1 32 32 LEU N N 32 128.344 128.344 126.957 1.387 18205 686 1 4 . 1 1 32 32 LEU CA C 32 51.517 51.517 54.961 -3.444 18205 687 1 4 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.389 -1.929 18205 688 1 4 . 1 1 33 33 LEU N N 33 127.285 127.285 126.497 0.788 18205 689 1 4 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.509 -2.221 18205 690 1 4 . 1 1 33 33 LEU CB C 33 43.190 43.190 43.120 0.070 18205 691 1 4 . 1 1 34 34 LEU N N 34 125.280 125.280 126.823 -1.543 18205 692 1 4 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.492 -2.907 18205 693 1 4 . 1 1 34 34 LEU CB C 34 41.323 41.323 43.102 -1.779 18205 694 1 4 . 1 1 35 35 LYS N N 35 123.438 123.438 121.875 1.563 18205 695 1 4 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.881 -3.810 18205 696 1 4 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.442 -0.550 18205 697 1 4 . 1 1 36 36 GLU N N 36 125.677 125.677 122.681 2.996 18205 698 1 4 . 1 1 36 36 GLU CA C 36 53.582 53.582 55.837 -2.255 18205 699 1 4 . 1 1 38 38 HIS CA C 38 53.922 53.922 58.657 -4.735 18205 700 1 4 . 1 1 38 38 HIS CB C 38 28.061 28.061 29.541 -1.480 18205 701 1 4 . 1 1 39 39 GLU N N 39 120.209 120.209 116.580 3.629 18205 702 1 4 . 1 1 39 39 GLU CA C 39 52.726 52.726 56.675 -3.949 18205 703 1 4 . 1 1 39 39 GLU CB C 39 30.445 30.445 28.773 1.671 18205 704 1 4 . 1 1 40 40 GLY N N 40 108.547 108.547 108.251 0.296 18205 705 1 4 . 1 1 40 40 GLY CA C 40 41.510 41.510 45.488 -3.978 18205 706 1 4 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.684 -1.645 18205 707 1 4 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.300 -0.328 18205 708 1 4 . 1 1 43 43 ILE CA C 43 56.373 56.373 59.954 -3.581 18205 709 1 4 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.127 0.095 18205 710 1 4 . 1 1 44 44 SER N N 44 117.527 117.527 120.906 -3.379 18205 711 1 4 . 1 1 44 44 SER CA C 44 55.141 55.141 57.596 -2.454 18205 712 1 4 . 1 1 45 45 ILE N N 45 116.121 116.121 121.522 -5.401 18205 713 1 4 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.428 -3.941 18205 714 1 4 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.675 0.082 18205 715 1 4 . 1 1 46 46 THR N N 46 115.974 115.974 114.434 1.540 18205 716 1 4 . 1 1 46 46 THR CA C 46 56.999 56.999 61.948 -4.949 18205 717 1 4 . 1 1 46 46 THR CB C 46 69.003 69.003 70.350 -1.347 18205 718 1 4 . 1 1 47 47 GLY N N 47 107.491 107.491 109.185 -1.694 18205 719 1 4 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.285 -2.395 18205 720 1 4 . 1 1 48 48 GLY N N 48 106.552 106.552 107.676 -1.124 18205 721 1 4 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.691 -3.872 18205 722 1 4 . 1 1 49 49 LYS N N 49 120.570 120.570 120.101 0.469 18205 723 1 4 . 1 1 49 49 LYS CA C 49 57.163 57.163 57.733 -0.570 18205 724 1 4 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.588 -1.422 18205 725 1 4 . 1 1 50 50 GLU CA C 50 56.742 56.742 57.520 -0.778 18205 726 1 4 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.439 -3.732 18205 727 1 4 . 1 1 51 51 HIS N N 51 118.188 118.188 118.803 -0.615 18205 728 1 4 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.303 -3.105 18205 729 1 4 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.646 -0.297 18205 730 1 4 . 1 1 52 52 GLY N N 52 107.553 107.553 110.765 -3.212 18205 731 1 4 . 1 1 52 52 GLY CA C 52 43.849 43.849 45.933 -2.084 18205 732 1 4 . 1 1 53 53 VAL N N 53 112.183 112.183 118.144 -5.961 18205 733 1 4 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.323 -4.267 18205 734 1 4 . 1 1 53 53 VAL CB C 53 32.061 32.061 33.961 -1.900 18205 735 1 4 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.524 -2.533 18205 736 1 4 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.014 -1.509 18205 737 1 4 . 1 1 55 55 ILE N N 55 118.060 118.060 121.477 -3.417 18205 738 1 4 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.345 -4.505 18205 739 1 4 . 1 1 55 55 ILE CB C 55 32.341 32.341 37.153 -4.812 18205 740 1 4 . 1 1 56 56 LEU N N 56 128.674 128.674 128.778 -0.104 18205 741 1 4 . 1 1 56 56 LEU CA C 56 50.633 50.633 54.138 -3.505 18205 742 1 4 . 1 1 56 56 LEU CB C 56 43.818 43.818 43.668 0.150 18205 743 1 4 . 1 1 57 57 ILE N N 57 119.781 119.781 122.746 -2.965 18205 744 1 4 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.168 -1.273 18205 745 1 4 . 1 1 57 57 ILE CB C 57 34.806 34.806 39.009 -4.203 18205 746 1 4 . 1 1 58 58 SER N N 58 125.216 125.216 119.168 6.048 18205 747 1 4 . 1 1 58 58 SER CA C 58 56.128 56.128 58.009 -1.881 18205 748 1 4 . 1 1 58 58 SER CB C 58 62.471 62.471 63.433 -0.962 18205 749 1 4 . 1 1 59 59 GLU N N 59 119.507 119.507 121.778 -2.271 18205 750 1 4 . 1 1 59 59 GLU CA C 59 54.405 54.405 56.087 -1.682 18205 751 1 4 . 1 1 59 59 GLU CB C 59 32.308 32.308 30.877 1.431 18205 752 1 4 . 1 1 60 60 ILE N N 60 123.253 123.253 125.133 -1.880 18205 753 1 4 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.728 -3.733 18205 754 1 4 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.803 -2.458 18205 755 1 4 . 1 1 61 61 HIS N N 61 127.960 127.960 125.901 2.059 18205 756 1 4 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.086 -2.467 18205 757 1 4 . 1 1 61 61 HIS CB C 61 28.154 28.154 29.862 -1.708 18205 758 1 4 . 1 1 62 62 PRO CA C 62 61.825 61.825 64.342 -2.517 18205 759 1 4 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.037 -2.280 18205 760 1 4 . 1 1 63 63 GLY N N 63 113.000 113.000 111.150 1.850 18205 761 1 4 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.218 -1.821 18205 762 1 4 . 1 1 64 64 GLN N N 64 120.180 120.180 119.735 0.445 18205 763 1 4 . 1 1 64 64 GLN CA C 64 53.359 53.359 54.405 -1.046 18205 764 1 4 . 1 1 65 65 PRO CA C 65 66.193 66.193 65.382 0.811 18205 765 1 4 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.348 -1.685 18205 766 1 4 . 1 1 66 66 ALA N N 66 118.252 118.252 121.134 -2.882 18205 767 1 4 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.329 -0.329 18205 768 1 4 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.390 -1.666 18205 769 1 4 . 1 1 67 67 ASP N N 67 122.174 122.174 119.504 2.670 18205 770 1 4 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.100 0.195 18205 771 1 4 . 1 1 67 67 ASP CB C 67 40.741 40.741 40.790 -0.049 18205 772 1 4 . 1 1 68 68 ARG N N 68 114.787 114.787 120.081 -5.294 18205 773 1 4 . 1 1 68 68 ARG CA C 68 57.101 57.101 56.127 0.974 18205 774 1 4 . 1 1 68 68 ARG CB C 68 28.636 28.636 30.002 -1.366 18205 775 1 4 . 1 1 69 69 CYS N N 69 113.352 113.352 117.444 -4.092 18205 776 1 4 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.564 -2.044 18205 777 1 4 . 1 1 69 69 CYS CB C 69 25.385 25.385 25.975 -0.590 18205 778 1 4 . 1 1 70 70 GLY N N 70 108.658 108.658 108.612 0.046 18205 779 1 4 . 1 1 70 70 GLY CA C 70 44.152 44.152 47.251 -3.099 18205 780 1 4 . 1 1 71 71 GLY N N 71 105.700 105.700 107.539 -1.839 18205 781 1 4 . 1 1 71 71 GLY CA C 71 42.611 42.611 45.179 -2.568 18205 782 1 4 . 1 1 72 72 LEU N N 72 118.948 118.948 120.766 -1.818 18205 783 1 4 . 1 1 72 72 LEU CA C 72 50.572 50.572 54.033 -3.461 18205 784 1 4 . 1 1 72 72 LEU CB C 72 43.132 43.132 43.475 -0.343 18205 785 1 4 . 1 1 73 73 HIS N N 73 120.035 120.035 118.681 1.354 18205 786 1 4 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.327 -3.170 18205 787 1 4 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.950 -0.283 18205 788 1 4 . 1 1 74 74 VAL N N 74 121.892 121.892 123.110 -1.218 18205 789 1 4 . 1 1 74 74 VAL CA C 74 63.204 63.204 63.860 -0.656 18205 790 1 4 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.194 -3.308 18205 791 1 4 . 1 1 75 75 GLY N N 75 116.308 116.308 112.105 4.203 18205 792 1 4 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.355 -2.955 18205 793 1 4 . 1 1 76 76 ASP N N 76 119.933 119.933 121.570 -1.637 18205 794 1 4 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.604 -1.161 18205 795 1 4 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.365 -2.621 18205 796 1 4 . 1 1 77 77 ALA N N 77 122.682 122.682 125.842 -3.160 18205 797 1 4 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.492 -3.967 18205 798 1 4 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.093 -1.414 18205 799 1 4 . 1 1 78 78 ILE N N 78 119.564 119.564 124.073 -4.509 18205 800 1 4 . 1 1 78 78 ILE CA C 78 58.888 58.888 60.594 -1.706 18205 801 1 4 . 1 1 78 78 ILE CB C 78 35.712 35.712 38.849 -3.137 18205 802 1 4 . 1 1 79 79 LEU N N 79 126.215 126.215 128.156 -1.941 18205 803 1 4 . 1 1 79 79 LEU CA C 79 53.417 53.417 55.721 -2.304 18205 804 1 4 . 1 1 79 79 LEU CB C 79 39.430 39.430 39.967 -0.537 18205 805 1 4 . 1 1 80 80 ALA N N 80 116.961 116.961 122.152 -5.191 18205 806 1 4 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.823 -2.204 18205 807 1 4 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.247 -0.049 18205 808 1 4 . 1 1 81 81 VAL N N 81 115.533 115.533 117.758 -2.225 18205 809 1 4 . 1 1 81 81 VAL CA C 81 56.150 56.150 61.871 -5.721 18205 810 1 4 . 1 1 81 81 VAL CB C 81 32.135 32.135 32.751 -0.616 18205 811 1 4 . 1 1 82 82 ASN N N 82 126.719 126.719 118.883 7.836 18205 812 1 4 . 1 1 82 82 ASN CA C 82 51.274 51.274 55.093 -3.819 18205 813 1 4 . 1 1 82 82 ASN CB C 82 35.078 35.078 36.891 -1.813 18205 814 1 4 . 1 1 83 83 GLY N N 83 102.614 102.614 106.053 -3.439 18205 815 1 4 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.038 -1.941 18205 816 1 4 . 1 1 84 84 VAL N N 84 124.896 124.896 120.489 4.407 18205 817 1 4 . 1 1 84 84 VAL CA C 84 60.305 60.305 60.944 -0.639 18205 818 1 4 . 1 1 84 84 VAL CB C 84 28.838 28.838 33.316 -4.478 18205 819 1 4 . 1 1 85 85 ASN N N 85 125.676 125.676 122.307 3.369 18205 820 1 4 . 1 1 85 85 ASN CA C 85 51.954 51.954 53.104 -1.150 18205 821 1 4 . 1 1 85 85 ASN CB C 85 36.594 36.594 38.926 -2.332 18205 822 1 4 . 1 1 86 86 LEU N N 86 126.803 126.803 124.486 2.317 18205 823 1 4 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.755 -3.100 18205 824 1 4 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.334 -1.314 18205 825 1 4 . 1 1 87 87 ARG N N 87 122.878 122.878 122.173 0.705 18205 826 1 4 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.735 0.861 18205 827 1 4 . 1 1 88 88 ASP N N 88 117.719 117.719 121.634 -3.915 18205 828 1 4 . 1 1 88 88 ASP CA C 88 51.537 51.537 53.906 -2.369 18205 829 1 4 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.448 -3.372 18205 830 1 4 . 1 1 89 89 THR N N 89 110.895 110.895 116.698 -5.803 18205 831 1 4 . 1 1 89 89 THR CA C 89 59.675 59.675 63.933 -4.258 18205 832 1 4 . 1 1 89 89 THR CB C 89 68.534 68.534 67.972 0.562 18205 833 1 4 . 1 1 90 90 LYS N N 90 124.873 124.873 121.611 3.262 18205 834 1 4 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.523 -1.952 18205 835 1 4 . 1 1 91 91 HIS N N 91 124.719 124.719 121.626 3.093 18205 836 1 4 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.676 3.084 18205 837 1 4 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.225 -1.865 18205 838 1 4 . 1 1 92 92 LYS N N 92 115.079 115.079 120.980 -5.901 18205 839 1 4 . 1 1 92 92 LYS CA C 92 57.157 57.157 57.035 0.122 18205 840 1 4 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.600 -2.817 18205 841 1 4 . 1 1 93 93 GLU N N 93 118.333 118.333 120.793 -2.460 18205 842 1 4 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.136 -0.717 18205 843 1 4 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.886 -2.412 18205 844 1 4 . 1 1 94 94 ALA N N 94 122.048 122.048 123.019 -0.971 18205 845 1 4 . 1 1 94 94 ALA CA C 94 53.239 53.239 52.678 0.561 18205 846 1 4 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.295 -2.191 18205 847 1 4 . 1 1 95 95 VAL N N 95 117.243 117.243 119.632 -2.389 18205 848 1 4 . 1 1 95 95 VAL CA C 95 64.981 64.981 65.132 -0.151 18205 849 1 4 . 1 1 95 95 VAL CB C 95 29.339 29.339 31.367 -2.028 18205 850 1 4 . 1 1 96 96 THR N N 96 117.301 117.301 113.485 3.816 18205 851 1 4 . 1 1 96 96 THR CA C 96 64.797 64.797 64.051 0.746 18205 852 1 4 . 1 1 96 96 THR CB C 96 66.627 66.627 68.590 -1.963 18205 853 1 4 . 1 1 97 97 ILE N N 97 122.420 122.420 121.421 0.999 18205 854 1 4 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.474 0.766 18205 855 1 4 . 1 1 97 97 ILE CB C 97 36.450 36.450 37.836 -1.386 18205 856 1 4 . 1 1 98 98 LEU N N 98 120.107 120.107 120.357 -0.250 18205 857 1 4 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.362 0.427 18205 858 1 4 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.337 -1.325 18205 859 1 4 . 1 1 99 99 SER N N 99 112.880 112.880 115.449 -2.569 18205 860 1 4 . 1 1 99 99 SER CA C 99 58.819 58.819 59.473 -0.654 18205 861 1 4 . 1 1 99 99 SER CB C 99 61.198 61.198 62.342 -1.144 18205 862 1 4 . 1 1 100 100 GLN N N 100 117.981 117.981 120.937 -2.956 18205 863 1 4 . 1 1 100 100 GLN CA C 100 53.348 53.348 56.415 -3.067 18205 864 1 4 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.268 -1.236 18205 865 1 4 . 1 1 101 101 GLN N N 101 115.893 115.893 120.818 -4.925 18205 866 1 4 . 1 1 101 101 GLN CA C 101 52.015 52.015 56.710 -4.695 18205 867 1 4 . 1 1 101 101 GLN CB C 101 25.793 25.793 29.313 -3.520 18205 868 1 4 . 1 1 102 102 ARG N N 102 121.538 121.538 119.573 1.965 18205 869 1 4 . 1 1 102 102 ARG CA C 102 52.901 52.901 56.369 -3.468 18205 870 1 4 . 1 1 102 102 ARG CB C 102 31.633 31.633 31.746 -0.113 18205 871 1 4 . 1 1 103 103 GLY N N 103 109.723 109.723 110.005 -0.282 18205 872 1 4 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.485 -1.190 18205 873 1 4 . 1 1 104 104 GLU N N 104 125.678 125.678 121.409 4.269 18205 874 1 4 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.707 -1.868 18205 875 1 4 . 1 1 104 104 GLU CB C 104 27.639 27.639 30.814 -3.175 18205 876 1 4 . 1 1 105 105 ILE N N 105 128.616 128.616 124.003 4.613 18205 877 1 4 . 1 1 105 105 ILE CA C 105 58.409 58.409 60.824 -2.415 18205 878 1 4 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.528 -0.085 18205 879 1 4 . 1 1 106 106 GLU N N 106 126.992 126.992 127.061 -0.069 18205 880 1 4 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.066 -3.410 18205 881 1 4 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.433 -0.379 18205 882 1 4 . 1 1 107 107 PHE N N 107 127.766 127.766 123.515 4.251 18205 883 1 4 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.229 -2.653 18205 884 1 4 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.406 -0.318 18205 885 1 4 . 1 1 108 108 GLU N N 108 122.925 122.925 124.174 -1.249 18205 886 1 4 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.691 -2.105 18205 887 1 4 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.518 -2.088 18205 888 1 4 . 1 1 109 109 VAL N N 109 117.483 117.483 119.840 -2.357 18205 889 1 4 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.451 -5.546 18205 890 1 4 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.912 0.952 18205 891 1 4 . 1 1 110 110 VAL N N 110 116.769 116.769 122.992 -6.223 18205 892 1 4 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.813 -3.861 18205 893 1 4 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.367 -0.041 18205 894 1 4 . 1 1 111 111 TYR N N 111 129.843 129.843 125.412 4.431 18205 895 1 4 . 1 1 111 111 TYR CA C 111 56.831 56.831 58.090 -1.259 18205 896 1 4 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.358 -2.885 18205 897 1 5 . 1 1 28 28 ILE N N 28 121.959 121.959 121.178 0.781 18205 898 1 5 . 1 1 28 28 ILE CA C 28 60.071 60.071 61.008 -0.937 18205 899 1 5 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.730 -2.520 18205 900 1 5 . 1 1 29 29 ARG N N 29 127.240 127.240 125.938 1.302 18205 901 1 5 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.348 -2.929 18205 902 1 5 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.778 -2.703 18205 903 1 5 . 1 1 30 30 LYS N N 30 120.323 120.323 122.862 -2.539 18205 904 1 5 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.806 -3.190 18205 905 1 5 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.925 -2.393 18205 906 1 5 . 1 1 31 31 VAL N N 31 125.472 125.472 124.252 1.220 18205 907 1 5 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.226 -2.270 18205 908 1 5 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.831 1.227 18205 909 1 5 . 1 1 32 32 LEU N N 32 128.344 128.344 126.864 1.480 18205 910 1 5 . 1 1 32 32 LEU CA C 32 51.517 51.517 55.128 -3.611 18205 911 1 5 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.191 -1.732 18205 912 1 5 . 1 1 33 33 LEU N N 33 127.285 127.285 127.287 -0.002 18205 913 1 5 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.466 -2.178 18205 914 1 5 . 1 1 33 33 LEU CB C 33 43.190 43.190 42.984 0.206 18205 915 1 5 . 1 1 34 34 LEU N N 34 125.280 125.280 124.577 0.703 18205 916 1 5 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.218 -2.633 18205 917 1 5 . 1 1 34 34 LEU CB C 34 41.323 41.323 42.848 -1.525 18205 918 1 5 . 1 1 35 35 LYS N N 35 123.438 123.438 122.784 0.654 18205 919 1 5 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.803 -3.732 18205 920 1 5 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.741 -0.849 18205 921 1 5 . 1 1 36 36 GLU N N 36 125.677 125.677 120.410 5.267 18205 922 1 5 . 1 1 36 36 GLU CA C 36 53.582 53.582 55.809 -2.228 18205 923 1 5 . 1 1 38 38 HIS CA C 38 53.922 53.922 57.814 -3.892 18205 924 1 5 . 1 1 38 38 HIS CB C 38 28.061 28.061 30.106 -2.045 18205 925 1 5 . 1 1 39 39 GLU N N 39 120.209 120.209 117.544 2.665 18205 926 1 5 . 1 1 39 39 GLU CA C 39 52.726 52.726 56.729 -4.003 18205 927 1 5 . 1 1 39 39 GLU CB C 39 30.445 30.445 28.619 1.826 18205 928 1 5 . 1 1 40 40 GLY N N 40 108.547 108.547 109.028 -0.481 18205 929 1 5 . 1 1 40 40 GLY CA C 40 41.510 41.510 44.989 -3.479 18205 930 1 5 . 1 1 41 41 LEU CA C 41 55.039 55.039 55.649 -0.610 18205 931 1 5 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.416 -0.444 18205 932 1 5 . 1 1 43 43 ILE CA C 43 56.373 56.373 59.989 -3.616 18205 933 1 5 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.155 0.067 18205 934 1 5 . 1 1 44 44 SER N N 44 117.527 117.527 121.215 -3.688 18205 935 1 5 . 1 1 44 44 SER CA C 44 55.141 55.141 57.583 -2.442 18205 936 1 5 . 1 1 45 45 ILE N N 45 116.121 116.121 121.421 -5.300 18205 937 1 5 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.333 -3.846 18205 938 1 5 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.359 0.398 18205 939 1 5 . 1 1 46 46 THR N N 46 115.974 115.974 114.270 1.704 18205 940 1 5 . 1 1 46 46 THR CA C 46 56.999 56.999 61.935 -4.936 18205 941 1 5 . 1 1 46 46 THR CB C 46 69.003 69.003 70.359 -1.356 18205 942 1 5 . 1 1 47 47 GLY N N 47 107.491 107.491 108.908 -1.417 18205 943 1 5 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.120 -2.230 18205 944 1 5 . 1 1 48 48 GLY N N 48 106.552 106.552 108.032 -1.480 18205 945 1 5 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.702 -3.883 18205 946 1 5 . 1 1 49 49 LYS N N 49 120.570 120.570 120.586 -0.016 18205 947 1 5 . 1 1 49 49 LYS CA C 49 57.163 57.163 57.928 -0.765 18205 948 1 5 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.747 -1.581 18205 949 1 5 . 1 1 50 50 GLU CA C 50 56.742 56.742 56.715 0.027 18205 950 1 5 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.713 -4.006 18205 951 1 5 . 1 1 51 51 HIS N N 51 118.188 118.188 119.506 -1.318 18205 952 1 5 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.392 -3.194 18205 953 1 5 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.562 -0.213 18205 954 1 5 . 1 1 52 52 GLY N N 52 107.553 107.553 110.413 -2.860 18205 955 1 5 . 1 1 52 52 GLY CA C 52 43.849 43.849 45.873 -2.024 18205 956 1 5 . 1 1 53 53 VAL N N 53 112.183 112.183 118.295 -6.112 18205 957 1 5 . 1 1 53 53 VAL CA C 53 56.056 56.056 59.919 -3.863 18205 958 1 5 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.415 -2.354 18205 959 1 5 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.834 -2.843 18205 960 1 5 . 1 1 54 54 PRO CB C 54 30.505 30.505 31.955 -1.450 18205 961 1 5 . 1 1 55 55 ILE N N 55 118.060 118.060 123.176 -5.116 18205 962 1 5 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.278 -4.438 18205 963 1 5 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.547 -4.206 18205 964 1 5 . 1 1 56 56 LEU N N 56 128.674 128.674 128.761 -0.087 18205 965 1 5 . 1 1 56 56 LEU CA C 56 50.633 50.633 54.316 -3.683 18205 966 1 5 . 1 1 56 56 LEU CB C 56 43.818 43.818 43.334 0.484 18205 967 1 5 . 1 1 57 57 ILE N N 57 119.781 119.781 122.185 -2.404 18205 968 1 5 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.227 -1.333 18205 969 1 5 . 1 1 57 57 ILE CB C 57 34.806 34.806 38.556 -3.749 18205 970 1 5 . 1 1 58 58 SER N N 58 125.216 125.216 118.657 6.559 18205 971 1 5 . 1 1 58 58 SER CA C 58 56.128 56.128 58.025 -1.897 18205 972 1 5 . 1 1 58 58 SER CB C 58 62.471 62.471 63.591 -1.120 18205 973 1 5 . 1 1 59 59 GLU N N 59 119.507 119.507 121.825 -2.318 18205 974 1 5 . 1 1 59 59 GLU CA C 59 54.405 54.405 56.198 -1.793 18205 975 1 5 . 1 1 59 59 GLU CB C 59 32.308 32.308 30.903 1.405 18205 976 1 5 . 1 1 60 60 ILE N N 60 123.253 123.253 125.160 -1.907 18205 977 1 5 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.768 -3.773 18205 978 1 5 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.928 -2.583 18205 979 1 5 . 1 1 61 61 HIS N N 61 127.960 127.960 125.844 2.116 18205 980 1 5 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.295 -2.676 18205 981 1 5 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.016 -1.862 18205 982 1 5 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.588 -1.763 18205 983 1 5 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.179 -2.422 18205 984 1 5 . 1 1 63 63 GLY N N 63 113.000 113.000 110.211 2.789 18205 985 1 5 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.365 -1.969 18205 986 1 5 . 1 1 64 64 GLN N N 64 120.180 120.180 118.849 1.331 18205 987 1 5 . 1 1 64 64 GLN CA C 64 53.359 53.359 53.520 -0.161 18205 988 1 5 . 1 1 65 65 PRO CA C 65 66.193 66.193 64.654 1.539 18205 989 1 5 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.743 -2.080 18205 990 1 5 . 1 1 66 66 ALA N N 66 118.252 118.252 121.293 -3.041 18205 991 1 5 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.148 -0.148 18205 992 1 5 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.410 -1.686 18205 993 1 5 . 1 1 67 67 ASP N N 67 122.174 122.174 119.376 2.798 18205 994 1 5 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.099 0.196 18205 995 1 5 . 1 1 67 67 ASP CB C 67 40.741 40.741 40.974 -0.233 18205 996 1 5 . 1 1 68 68 ARG N N 68 114.787 114.787 120.305 -5.518 18205 997 1 5 . 1 1 68 68 ARG CA C 68 57.101 57.101 56.591 0.510 18205 998 1 5 . 1 1 68 68 ARG CB C 68 28.636 28.636 30.073 -1.437 18205 999 1 5 . 1 1 69 69 CYS N N 69 113.352 113.352 119.862 -6.510 18205 1000 1 5 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.284 -1.764 18205 1001 1 5 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.435 -1.050 18205 1002 1 5 . 1 1 70 70 GLY N N 70 108.658 108.658 109.494 -0.836 18205 1003 1 5 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.642 -1.490 18205 1004 1 5 . 1 1 71 71 GLY N N 71 105.700 105.700 107.556 -1.856 18205 1005 1 5 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.743 -2.132 18205 1006 1 5 . 1 1 72 72 LEU N N 72 118.948 118.948 123.039 -4.091 18205 1007 1 5 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.559 -2.986 18205 1008 1 5 . 1 1 72 72 LEU CB C 72 43.132 43.132 42.865 0.267 18205 1009 1 5 . 1 1 73 73 HIS N N 73 120.035 120.035 119.051 0.984 18205 1010 1 5 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.147 -2.990 18205 1011 1 5 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.727 -0.060 18205 1012 1 5 . 1 1 74 74 VAL N N 74 121.892 121.892 122.177 -0.285 18205 1013 1 5 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.504 -1.300 18205 1014 1 5 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.423 -3.537 18205 1015 1 5 . 1 1 75 75 GLY N N 75 116.308 116.308 112.160 4.148 18205 1016 1 5 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.371 -2.971 18205 1017 1 5 . 1 1 76 76 ASP N N 76 119.933 119.933 121.817 -1.884 18205 1018 1 5 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.699 -1.256 18205 1019 1 5 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.342 -2.598 18205 1020 1 5 . 1 1 77 77 ALA N N 77 122.682 122.682 126.250 -3.568 18205 1021 1 5 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.555 -4.030 18205 1022 1 5 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.477 -1.798 18205 1023 1 5 . 1 1 78 78 ILE N N 78 119.564 119.564 123.017 -3.453 18205 1024 1 5 . 1 1 78 78 ILE CA C 78 58.888 58.888 61.038 -2.150 18205 1025 1 5 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.865 -4.153 18205 1026 1 5 . 1 1 79 79 LEU N N 79 126.215 126.215 126.477 -0.262 18205 1027 1 5 . 1 1 79 79 LEU CA C 79 53.417 53.417 54.963 -1.546 18205 1028 1 5 . 1 1 79 79 LEU CB C 79 39.430 39.430 41.930 -2.500 18205 1029 1 5 . 1 1 80 80 ALA N N 80 116.961 116.961 122.491 -5.530 18205 1030 1 5 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.861 -2.243 18205 1031 1 5 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.331 -0.133 18205 1032 1 5 . 1 1 81 81 VAL N N 81 115.533 115.533 117.522 -1.989 18205 1033 1 5 . 1 1 81 81 VAL CA C 81 56.150 56.150 61.994 -5.844 18205 1034 1 5 . 1 1 81 81 VAL CB C 81 32.135 32.135 32.447 -0.312 18205 1035 1 5 . 1 1 82 82 ASN N N 82 126.719 126.719 120.028 6.691 18205 1036 1 5 . 1 1 82 82 ASN CA C 82 51.274 51.274 54.508 -3.234 18205 1037 1 5 . 1 1 82 82 ASN CB C 82 35.078 35.078 37.060 -1.982 18205 1038 1 5 . 1 1 83 83 GLY N N 83 102.614 102.614 108.764 -6.150 18205 1039 1 5 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.459 -2.362 18205 1040 1 5 . 1 1 84 84 VAL N N 84 124.896 124.896 121.231 3.665 18205 1041 1 5 . 1 1 84 84 VAL CA C 84 60.305 60.305 63.356 -3.051 18205 1042 1 5 . 1 1 84 84 VAL CB C 84 28.838 28.838 30.330 -1.492 18205 1043 1 5 . 1 1 85 85 ASN N N 85 125.676 125.676 124.454 1.222 18205 1044 1 5 . 1 1 85 85 ASN CA C 85 51.954 51.954 52.329 -0.375 18205 1045 1 5 . 1 1 85 85 ASN CB C 85 36.594 36.594 40.215 -3.622 18205 1046 1 5 . 1 1 86 86 LEU N N 86 126.803 126.803 123.454 3.349 18205 1047 1 5 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.310 -2.655 18205 1048 1 5 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.737 -1.717 18205 1049 1 5 . 1 1 87 87 ARG N N 87 122.878 122.878 122.628 0.250 18205 1050 1 5 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.623 0.973 18205 1051 1 5 . 1 1 88 88 ASP N N 88 117.719 117.719 124.017 -6.298 18205 1052 1 5 . 1 1 88 88 ASP CA C 88 51.537 51.537 53.771 -2.234 18205 1053 1 5 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.649 -3.573 18205 1054 1 5 . 1 1 89 89 THR N N 89 110.895 110.895 115.294 -4.399 18205 1055 1 5 . 1 1 89 89 THR CA C 89 59.675 59.675 62.954 -3.279 18205 1056 1 5 . 1 1 89 89 THR CB C 89 68.534 68.534 68.055 0.479 18205 1057 1 5 . 1 1 90 90 LYS N N 90 124.873 124.873 121.362 3.511 18205 1058 1 5 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.472 -1.902 18205 1059 1 5 . 1 1 91 91 HIS N N 91 124.719 124.719 120.398 4.321 18205 1060 1 5 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.669 3.092 18205 1061 1 5 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.086 -1.726 18205 1062 1 5 . 1 1 92 92 LYS N N 92 115.079 115.079 120.726 -5.647 18205 1063 1 5 . 1 1 92 92 LYS CA C 92 57.157 57.157 56.846 0.311 18205 1064 1 5 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.333 -2.550 18205 1065 1 5 . 1 1 93 93 GLU N N 93 118.333 118.333 120.337 -2.004 18205 1066 1 5 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.057 -0.638 18205 1067 1 5 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.876 -2.402 18205 1068 1 5 . 1 1 94 94 ALA N N 94 122.048 122.048 123.312 -1.264 18205 1069 1 5 . 1 1 94 94 ALA CA C 94 53.239 53.239 52.977 0.262 18205 1070 1 5 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.658 -2.554 18205 1071 1 5 . 1 1 95 95 VAL N N 95 117.243 117.243 119.157 -1.914 18205 1072 1 5 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.778 0.203 18205 1073 1 5 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.261 -0.922 18205 1074 1 5 . 1 1 96 96 THR N N 96 117.301 117.301 113.957 3.344 18205 1075 1 5 . 1 1 96 96 THR CA C 96 64.797 64.797 63.749 1.048 18205 1076 1 5 . 1 1 96 96 THR CB C 96 66.627 66.627 68.547 -1.920 18205 1077 1 5 . 1 1 97 97 ILE N N 97 122.420 122.420 121.453 0.967 18205 1078 1 5 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.474 0.766 18205 1079 1 5 . 1 1 97 97 ILE CB C 97 36.450 36.450 37.900 -1.450 18205 1080 1 5 . 1 1 98 98 LEU N N 98 120.107 120.107 119.354 0.753 18205 1081 1 5 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.346 0.444 18205 1082 1 5 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.524 -1.511 18205 1083 1 5 . 1 1 99 99 SER N N 99 112.880 112.880 115.350 -2.470 18205 1084 1 5 . 1 1 99 99 SER CA C 99 58.819 58.819 59.931 -1.112 18205 1085 1 5 . 1 1 99 99 SER CB C 99 61.198 61.198 62.890 -1.692 18205 1086 1 5 . 1 1 100 100 GLN N N 100 117.981 117.981 120.436 -2.455 18205 1087 1 5 . 1 1 100 100 GLN CA C 100 53.348 53.348 56.539 -3.192 18205 1088 1 5 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.229 -1.197 18205 1089 1 5 . 1 1 101 101 GLN N N 101 115.893 115.893 120.706 -4.813 18205 1090 1 5 . 1 1 101 101 GLN CA C 101 52.015 52.015 56.270 -4.255 18205 1091 1 5 . 1 1 101 101 GLN CB C 101 25.793 25.793 29.446 -3.653 18205 1092 1 5 . 1 1 102 102 ARG N N 102 121.538 121.538 120.885 0.653 18205 1093 1 5 . 1 1 102 102 ARG CA C 102 52.901 52.901 56.118 -3.217 18205 1094 1 5 . 1 1 102 102 ARG CB C 102 31.633 31.633 31.765 -0.132 18205 1095 1 5 . 1 1 103 103 GLY N N 103 109.723 109.723 110.079 -0.356 18205 1096 1 5 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.231 -0.936 18205 1097 1 5 . 1 1 104 104 GLU N N 104 125.678 125.678 121.370 4.308 18205 1098 1 5 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.578 -1.739 18205 1099 1 5 . 1 1 104 104 GLU CB C 104 27.639 27.639 31.367 -3.728 18205 1100 1 5 . 1 1 105 105 ILE N N 105 128.616 128.616 123.663 4.953 18205 1101 1 5 . 1 1 105 105 ILE CA C 105 58.409 58.409 60.795 -2.386 18205 1102 1 5 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.538 -0.095 18205 1103 1 5 . 1 1 106 106 GLU N N 106 126.992 126.992 127.078 -0.086 18205 1104 1 5 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.045 -3.389 18205 1105 1 5 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.355 -0.301 18205 1106 1 5 . 1 1 107 107 PHE N N 107 127.766 127.766 123.995 3.771 18205 1107 1 5 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.299 -2.723 18205 1108 1 5 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.184 -0.096 18205 1109 1 5 . 1 1 108 108 GLU N N 108 122.925 122.925 124.618 -1.693 18205 1110 1 5 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.718 -2.132 18205 1111 1 5 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.516 -2.086 18205 1112 1 5 . 1 1 109 109 VAL N N 109 117.483 117.483 119.913 -2.430 18205 1113 1 5 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.500 -5.595 18205 1114 1 5 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.800 1.064 18205 1115 1 5 . 1 1 110 110 VAL N N 110 116.769 116.769 123.581 -6.812 18205 1116 1 5 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.637 -3.685 18205 1117 1 5 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.950 -0.624 18205 1118 1 5 . 1 1 111 111 TYR N N 111 129.843 129.843 124.259 5.584 18205 1119 1 5 . 1 1 111 111 TYR CA C 111 56.831 56.831 57.835 -1.004 18205 1120 1 5 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.445 -2.973 18205 1121 1 6 . 1 1 28 28 ILE N N 28 121.959 121.959 121.216 0.743 18205 1122 1 6 . 1 1 28 28 ILE CA C 28 60.071 60.071 61.018 -0.947 18205 1123 1 6 . 1 1 28 28 ILE CB C 28 36.210 36.210 39.123 -2.913 18205 1124 1 6 . 1 1 29 29 ARG N N 29 127.240 127.240 124.891 2.349 18205 1125 1 6 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.446 -3.027 18205 1126 1 6 . 1 1 29 29 ARG CB C 29 29.075 29.075 32.443 -3.368 18205 1127 1 6 . 1 1 30 30 LYS N N 30 120.323 120.323 122.759 -2.436 18205 1128 1 6 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.747 -3.131 18205 1129 1 6 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.930 -2.398 18205 1130 1 6 . 1 1 31 31 VAL N N 31 125.472 125.472 124.533 0.939 18205 1131 1 6 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.036 -2.080 18205 1132 1 6 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.752 1.306 18205 1133 1 6 . 1 1 32 32 LEU N N 32 128.344 128.344 125.776 2.568 18205 1134 1 6 . 1 1 32 32 LEU CA C 32 51.517 51.517 54.556 -3.039 18205 1135 1 6 . 1 1 32 32 LEU CB C 32 41.460 41.460 42.626 -1.166 18205 1136 1 6 . 1 1 33 33 LEU N N 33 127.285 127.285 127.857 -0.572 18205 1137 1 6 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.480 -2.192 18205 1138 1 6 . 1 1 33 33 LEU CB C 33 43.190 43.190 43.463 -0.273 18205 1139 1 6 . 1 1 34 34 LEU N N 34 125.280 125.280 124.347 0.933 18205 1140 1 6 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.187 -2.602 18205 1141 1 6 . 1 1 34 34 LEU CB C 34 41.323 41.323 42.906 -1.583 18205 1142 1 6 . 1 1 35 35 LYS N N 35 123.438 123.438 122.229 1.209 18205 1143 1 6 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.647 -3.576 18205 1144 1 6 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.355 -0.463 18205 1145 1 6 . 1 1 36 36 GLU N N 36 125.677 125.677 122.613 3.064 18205 1146 1 6 . 1 1 36 36 GLU CA C 36 53.582 53.582 56.632 -3.050 18205 1147 1 6 . 1 1 38 38 HIS CA C 38 53.922 53.922 56.269 -2.347 18205 1148 1 6 . 1 1 38 38 HIS CB C 38 28.061 28.061 29.620 -1.559 18205 1149 1 6 . 1 1 39 39 GLU N N 39 120.209 120.209 120.726 -0.517 18205 1150 1 6 . 1 1 39 39 GLU CA C 39 52.726 52.726 57.369 -4.643 18205 1151 1 6 . 1 1 39 39 GLU CB C 39 30.445 30.445 29.867 0.578 18205 1152 1 6 . 1 1 40 40 GLY N N 40 108.547 108.547 108.484 0.063 18205 1153 1 6 . 1 1 40 40 GLY CA C 40 41.510 41.510 45.025 -3.515 18205 1154 1 6 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.140 -1.101 18205 1155 1 6 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.218 -0.245 18205 1156 1 6 . 1 1 43 43 ILE CA C 43 56.373 56.373 59.856 -3.483 18205 1157 1 6 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.338 -0.116 18205 1158 1 6 . 1 1 44 44 SER N N 44 117.527 117.527 119.489 -1.962 18205 1159 1 6 . 1 1 44 44 SER CA C 44 55.141 55.141 57.564 -2.423 18205 1160 1 6 . 1 1 45 45 ILE N N 45 116.121 116.121 121.337 -5.216 18205 1161 1 6 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.408 -3.921 18205 1162 1 6 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.312 0.445 18205 1163 1 6 . 1 1 46 46 THR N N 46 115.974 115.974 114.430 1.544 18205 1164 1 6 . 1 1 46 46 THR CA C 46 56.999 56.999 61.868 -4.869 18205 1165 1 6 . 1 1 46 46 THR CB C 46 69.003 69.003 70.124 -1.121 18205 1166 1 6 . 1 1 47 47 GLY N N 47 107.491 107.491 108.409 -0.918 18205 1167 1 6 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.103 -2.213 18205 1168 1 6 . 1 1 48 48 GLY N N 48 106.552 106.552 107.848 -1.296 18205 1169 1 6 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.435 -3.616 18205 1170 1 6 . 1 1 49 49 LYS N N 49 120.570 120.570 120.325 0.245 18205 1171 1 6 . 1 1 49 49 LYS CA C 49 57.163 57.163 57.946 -0.783 18205 1172 1 6 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.623 -1.457 18205 1173 1 6 . 1 1 50 50 GLU CA C 50 56.742 56.742 57.215 -0.473 18205 1174 1 6 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.486 -3.779 18205 1175 1 6 . 1 1 51 51 HIS N N 51 118.188 118.188 119.231 -1.043 18205 1176 1 6 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.399 -3.201 18205 1177 1 6 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.697 -0.348 18205 1178 1 6 . 1 1 52 52 GLY N N 52 107.553 107.553 110.695 -3.142 18205 1179 1 6 . 1 1 52 52 GLY CA C 52 43.849 43.849 46.011 -2.163 18205 1180 1 6 . 1 1 53 53 VAL N N 53 112.183 112.183 116.419 -4.236 18205 1181 1 6 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.250 -4.194 18205 1182 1 6 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.270 -2.208 18205 1183 1 6 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.471 -2.480 18205 1184 1 6 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.042 -1.538 18205 1185 1 6 . 1 1 55 55 ILE N N 55 118.060 118.060 122.041 -3.981 18205 1186 1 6 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.271 -4.431 18205 1187 1 6 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.232 -3.891 18205 1188 1 6 . 1 1 56 56 LEU N N 56 128.674 128.674 128.607 0.067 18205 1189 1 6 . 1 1 56 56 LEU CA C 56 50.633 50.633 54.252 -3.619 18205 1190 1 6 . 1 1 56 56 LEU CB C 56 43.818 43.818 43.438 0.380 18205 1191 1 6 . 1 1 57 57 ILE N N 57 119.781 119.781 124.288 -4.507 18205 1192 1 6 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.164 -1.269 18205 1193 1 6 . 1 1 57 57 ILE CB C 57 34.806 34.806 39.244 -4.438 18205 1194 1 6 . 1 1 58 58 SER N N 58 125.216 125.216 118.665 6.551 18205 1195 1 6 . 1 1 58 58 SER CA C 58 56.128 56.128 57.782 -1.654 18205 1196 1 6 . 1 1 58 58 SER CB C 58 62.471 62.471 63.455 -0.983 18205 1197 1 6 . 1 1 59 59 GLU N N 59 119.507 119.507 121.390 -1.883 18205 1198 1 6 . 1 1 59 59 GLU CA C 59 54.405 54.405 55.958 -1.553 18205 1199 1 6 . 1 1 59 59 GLU CB C 59 32.308 32.308 31.165 1.143 18205 1200 1 6 . 1 1 60 60 ILE N N 60 123.253 123.253 125.214 -1.961 18205 1201 1 6 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.764 -3.769 18205 1202 1 6 . 1 1 60 60 ILE CB C 60 36.345 36.345 39.120 -2.775 18205 1203 1 6 . 1 1 61 61 HIS N N 61 127.960 127.960 125.609 2.351 18205 1204 1 6 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.226 -2.607 18205 1205 1 6 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.010 -1.856 18205 1206 1 6 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.688 -1.863 18205 1207 1 6 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.185 -2.429 18205 1208 1 6 . 1 1 63 63 GLY N N 63 113.000 113.000 109.507 3.493 18205 1209 1 6 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.324 -1.927 18205 1210 1 6 . 1 1 64 64 GLN N N 64 120.180 120.180 118.924 1.256 18205 1211 1 6 . 1 1 64 64 GLN CA C 64 53.359 53.359 53.529 -0.170 18205 1212 1 6 . 1 1 65 65 PRO CA C 65 66.193 66.193 64.733 1.460 18205 1213 1 6 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.741 -2.078 18205 1214 1 6 . 1 1 66 66 ALA N N 66 118.252 118.252 121.358 -3.106 18205 1215 1 6 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.266 -0.266 18205 1216 1 6 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.444 -1.720 18205 1217 1 6 . 1 1 67 67 ASP N N 67 122.174 122.174 119.400 2.774 18205 1218 1 6 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.444 -0.149 18205 1219 1 6 . 1 1 67 67 ASP CB C 67 40.741 40.741 41.036 -0.295 18205 1220 1 6 . 1 1 68 68 ARG N N 68 114.787 114.787 120.625 -5.838 18205 1221 1 6 . 1 1 68 68 ARG CA C 68 57.101 57.101 57.247 -0.146 18205 1222 1 6 . 1 1 68 68 ARG CB C 68 28.636 28.636 29.023 -0.387 18205 1223 1 6 . 1 1 69 69 CYS N N 69 113.352 113.352 119.820 -6.468 18205 1224 1 6 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.312 -1.792 18205 1225 1 6 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.324 -0.939 18205 1226 1 6 . 1 1 70 70 GLY N N 70 108.658 108.658 109.545 -0.887 18205 1227 1 6 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.666 -1.514 18205 1228 1 6 . 1 1 71 71 GLY N N 71 105.700 105.700 107.643 -1.943 18205 1229 1 6 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.812 -2.201 18205 1230 1 6 . 1 1 72 72 LEU N N 72 118.948 118.948 122.891 -3.943 18205 1231 1 6 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.483 -2.911 18205 1232 1 6 . 1 1 72 72 LEU CB C 72 43.132 43.132 43.027 0.105 18205 1233 1 6 . 1 1 73 73 HIS N N 73 120.035 120.035 118.929 1.106 18205 1234 1 6 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.266 -3.109 18205 1235 1 6 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.426 0.241 18205 1236 1 6 . 1 1 74 74 VAL N N 74 121.892 121.892 122.372 -0.480 18205 1237 1 6 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.510 -1.306 18205 1238 1 6 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.446 -3.560 18205 1239 1 6 . 1 1 75 75 GLY N N 75 116.308 116.308 112.192 4.116 18205 1240 1 6 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.341 -2.941 18205 1241 1 6 . 1 1 76 76 ASP N N 76 119.933 119.933 121.838 -1.905 18205 1242 1 6 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.749 -1.306 18205 1243 1 6 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.310 -2.566 18205 1244 1 6 . 1 1 77 77 ALA N N 77 122.682 122.682 125.888 -3.206 18205 1245 1 6 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.561 -4.036 18205 1246 1 6 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.502 -1.823 18205 1247 1 6 . 1 1 78 78 ILE N N 78 119.564 119.564 123.133 -3.569 18205 1248 1 6 . 1 1 78 78 ILE CA C 78 58.888 58.888 61.046 -2.158 18205 1249 1 6 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.826 -4.114 18205 1250 1 6 . 1 1 79 79 LEU N N 79 126.215 126.215 125.748 0.467 18205 1251 1 6 . 1 1 79 79 LEU CA C 79 53.417 53.417 55.321 -1.904 18205 1252 1 6 . 1 1 79 79 LEU CB C 79 39.430 39.430 42.699 -3.269 18205 1253 1 6 . 1 1 80 80 ALA N N 80 116.961 116.961 122.371 -5.410 18205 1254 1 6 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.984 -2.365 18205 1255 1 6 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.722 -0.524 18205 1256 1 6 . 1 1 81 81 VAL N N 81 115.533 115.533 117.606 -2.073 18205 1257 1 6 . 1 1 81 81 VAL CA C 81 56.150 56.150 61.866 -5.716 18205 1258 1 6 . 1 1 81 81 VAL CB C 81 32.135 32.135 32.836 -0.701 18205 1259 1 6 . 1 1 82 82 ASN N N 82 126.719 126.719 118.826 7.893 18205 1260 1 6 . 1 1 82 82 ASN CA C 82 51.274 51.274 55.078 -3.804 18205 1261 1 6 . 1 1 82 82 ASN CB C 82 35.078 35.078 36.900 -1.822 18205 1262 1 6 . 1 1 83 83 GLY N N 83 102.614 102.614 106.049 -3.435 18205 1263 1 6 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.072 -1.975 18205 1264 1 6 . 1 1 84 84 VAL N N 84 124.896 124.896 120.941 3.955 18205 1265 1 6 . 1 1 84 84 VAL CA C 84 60.305 60.305 60.855 -0.550 18205 1266 1 6 . 1 1 84 84 VAL CB C 84 28.838 28.838 33.636 -4.798 18205 1267 1 6 . 1 1 85 85 ASN N N 85 125.676 125.676 121.695 3.981 18205 1268 1 6 . 1 1 85 85 ASN CA C 85 51.954 51.954 53.048 -1.094 18205 1269 1 6 . 1 1 85 85 ASN CB C 85 36.594 36.594 39.386 -2.792 18205 1270 1 6 . 1 1 86 86 LEU N N 86 126.803 126.803 125.002 1.801 18205 1271 1 6 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.348 -2.693 18205 1272 1 6 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.300 -1.280 18205 1273 1 6 . 1 1 87 87 ARG N N 87 122.878 122.878 122.753 0.125 18205 1274 1 6 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.945 0.651 18205 1275 1 6 . 1 1 88 88 ASP N N 88 117.719 117.719 125.041 -7.322 18205 1276 1 6 . 1 1 88 88 ASP CA C 88 51.537 51.537 54.384 -2.847 18205 1277 1 6 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.454 -3.378 18205 1278 1 6 . 1 1 89 89 THR N N 89 110.895 110.895 115.802 -4.907 18205 1279 1 6 . 1 1 89 89 THR CA C 89 59.675 59.675 63.038 -3.363 18205 1280 1 6 . 1 1 89 89 THR CB C 89 68.534 68.534 68.021 0.513 18205 1281 1 6 . 1 1 90 90 LYS N N 90 124.873 124.873 121.311 3.562 18205 1282 1 6 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.421 -1.851 18205 1283 1 6 . 1 1 91 91 HIS N N 91 124.719 124.719 120.266 4.453 18205 1284 1 6 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.672 3.089 18205 1285 1 6 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.091 -1.732 18205 1286 1 6 . 1 1 92 92 LYS N N 92 115.079 115.079 120.608 -5.529 18205 1287 1 6 . 1 1 92 92 LYS CA C 92 57.157 57.157 56.916 0.241 18205 1288 1 6 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.418 -2.635 18205 1289 1 6 . 1 1 93 93 GLU N N 93 118.333 118.333 120.638 -2.305 18205 1290 1 6 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.177 -0.758 18205 1291 1 6 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.819 -2.345 18205 1292 1 6 . 1 1 94 94 ALA N N 94 122.048 122.048 122.851 -0.803 18205 1293 1 6 . 1 1 94 94 ALA CA C 94 53.239 53.239 53.067 0.172 18205 1294 1 6 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.660 -2.555 18205 1295 1 6 . 1 1 95 95 VAL N N 95 117.243 117.243 119.592 -2.349 18205 1296 1 6 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.860 0.121 18205 1297 1 6 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.229 -0.890 18205 1298 1 6 . 1 1 96 96 THR N N 96 117.301 117.301 114.176 3.125 18205 1299 1 6 . 1 1 96 96 THR CA C 96 64.797 64.797 63.506 1.291 18205 1300 1 6 . 1 1 96 96 THR CB C 96 66.627 66.627 68.639 -2.012 18205 1301 1 6 . 1 1 97 97 ILE N N 97 122.420 122.420 122.214 0.206 18205 1302 1 6 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.536 0.704 18205 1303 1 6 . 1 1 97 97 ILE CB C 97 36.450 36.450 36.874 -0.424 18205 1304 1 6 . 1 1 98 98 LEU N N 98 120.107 120.107 121.136 -1.029 18205 1305 1 6 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.461 0.329 18205 1306 1 6 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.218 -1.205 18205 1307 1 6 . 1 1 99 99 SER N N 99 112.880 112.880 115.584 -2.704 18205 1308 1 6 . 1 1 99 99 SER CA C 99 58.819 58.819 59.790 -0.971 18205 1309 1 6 . 1 1 99 99 SER CB C 99 61.198 61.198 62.689 -1.491 18205 1310 1 6 . 1 1 100 100 GLN N N 100 117.981 117.981 119.300 -1.319 18205 1311 1 6 . 1 1 100 100 GLN CA C 100 53.348 53.348 55.512 -2.164 18205 1312 1 6 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.787 -1.755 18205 1313 1 6 . 1 1 101 101 GLN N N 101 115.893 115.893 120.867 -4.974 18205 1314 1 6 . 1 1 101 101 GLN CA C 101 52.015 52.015 57.361 -5.346 18205 1315 1 6 . 1 1 101 101 GLN CB C 101 25.793 25.793 29.015 -3.223 18205 1316 1 6 . 1 1 102 102 ARG N N 102 121.538 121.538 116.946 4.592 18205 1317 1 6 . 1 1 102 102 ARG CA C 102 52.901 52.901 56.270 -3.369 18205 1318 1 6 . 1 1 102 102 ARG CB C 102 31.633 31.633 30.923 0.710 18205 1319 1 6 . 1 1 103 103 GLY N N 103 109.723 109.723 108.363 1.360 18205 1320 1 6 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.434 -1.139 18205 1321 1 6 . 1 1 104 104 GLU N N 104 125.678 125.678 120.297 5.381 18205 1322 1 6 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.666 -1.827 18205 1323 1 6 . 1 1 104 104 GLU CB C 104 27.639 27.639 30.720 -3.080 18205 1324 1 6 . 1 1 105 105 ILE N N 105 128.616 128.616 125.055 3.561 18205 1325 1 6 . 1 1 105 105 ILE CA C 105 58.409 58.409 61.110 -2.701 18205 1326 1 6 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.973 -0.530 18205 1327 1 6 . 1 1 106 106 GLU N N 106 126.992 126.992 127.625 -0.633 18205 1328 1 6 . 1 1 106 106 GLU CA C 106 52.656 52.656 55.972 -3.316 18205 1329 1 6 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.434 -0.380 18205 1330 1 6 . 1 1 107 107 PHE N N 107 127.766 127.766 123.643 4.123 18205 1331 1 6 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.450 -2.874 18205 1332 1 6 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.195 -0.107 18205 1333 1 6 . 1 1 108 108 GLU N N 108 122.925 122.925 124.327 -1.402 18205 1334 1 6 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.556 -1.970 18205 1335 1 6 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.678 -2.248 18205 1336 1 6 . 1 1 109 109 VAL N N 109 117.483 117.483 120.038 -2.555 18205 1337 1 6 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.561 -5.656 18205 1338 1 6 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.682 1.182 18205 1339 1 6 . 1 1 110 110 VAL N N 110 116.769 116.769 123.216 -6.447 18205 1340 1 6 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.661 -3.709 18205 1341 1 6 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.699 -0.373 18205 1342 1 6 . 1 1 111 111 TYR N N 111 129.843 129.843 124.247 5.596 18205 1343 1 6 . 1 1 111 111 TYR CA C 111 56.831 56.831 57.928 -1.097 18205 1344 1 6 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.521 -3.049 18205 1345 1 7 . 1 1 28 28 ILE N N 28 121.959 121.959 120.565 1.394 18205 1346 1 7 . 1 1 28 28 ILE CA C 28 60.071 60.071 60.937 -0.866 18205 1347 1 7 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.646 -2.436 18205 1348 1 7 . 1 1 29 29 ARG N N 29 127.240 127.240 126.381 0.859 18205 1349 1 7 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.361 -2.942 18205 1350 1 7 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.945 -2.870 18205 1351 1 7 . 1 1 30 30 LYS N N 30 120.323 120.323 122.911 -2.588 18205 1352 1 7 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.861 -3.245 18205 1353 1 7 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.801 -2.269 18205 1354 1 7 . 1 1 31 31 VAL N N 31 125.472 125.472 123.734 1.738 18205 1355 1 7 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.237 -2.281 18205 1356 1 7 . 1 1 31 31 VAL CB C 31 34.058 34.058 33.111 0.947 18205 1357 1 7 . 1 1 32 32 LEU N N 32 128.344 128.344 127.031 1.313 18205 1358 1 7 . 1 1 32 32 LEU CA C 32 51.517 51.517 54.882 -3.365 18205 1359 1 7 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.275 -1.815 18205 1360 1 7 . 1 1 33 33 LEU N N 33 127.285 127.285 128.018 -0.733 18205 1361 1 7 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.410 -2.122 18205 1362 1 7 . 1 1 33 33 LEU CB C 33 43.190 43.190 43.143 0.047 18205 1363 1 7 . 1 1 34 34 LEU N N 34 125.280 125.280 124.722 0.558 18205 1364 1 7 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.026 -2.441 18205 1365 1 7 . 1 1 34 34 LEU CB C 34 41.323 41.323 43.013 -1.690 18205 1366 1 7 . 1 1 35 35 LYS N N 35 123.438 123.438 121.471 1.967 18205 1367 1 7 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.613 -3.542 18205 1368 1 7 . 1 1 35 35 LYS CB C 35 33.892 33.892 33.923 -0.032 18205 1369 1 7 . 1 1 36 36 GLU N N 36 125.677 125.677 121.865 3.812 18205 1370 1 7 . 1 1 36 36 GLU CA C 36 53.582 53.582 55.988 -2.406 18205 1371 1 7 . 1 1 38 38 HIS CA C 38 53.922 53.922 56.443 -2.521 18205 1372 1 7 . 1 1 38 38 HIS CB C 38 28.061 28.061 28.425 -0.364 18205 1373 1 7 . 1 1 39 39 GLU N N 39 120.209 120.209 122.050 -1.841 18205 1374 1 7 . 1 1 39 39 GLU CA C 39 52.726 52.726 56.687 -3.961 18205 1375 1 7 . 1 1 39 39 GLU CB C 39 30.445 30.445 28.854 1.591 18205 1376 1 7 . 1 1 40 40 GLY N N 40 108.547 108.547 109.839 -1.292 18205 1377 1 7 . 1 1 40 40 GLY CA C 40 41.510 41.510 45.144 -3.634 18205 1378 1 7 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.617 -1.578 18205 1379 1 7 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.132 -0.160 18205 1380 1 7 . 1 1 43 43 ILE CA C 43 56.373 56.373 60.053 -3.680 18205 1381 1 7 . 1 1 43 43 ILE CB C 43 40.222 40.222 39.566 0.656 18205 1382 1 7 . 1 1 44 44 SER N N 44 117.527 117.527 119.693 -2.166 18205 1383 1 7 . 1 1 44 44 SER CA C 44 55.141 55.141 57.688 -2.547 18205 1384 1 7 . 1 1 45 45 ILE N N 45 116.121 116.121 121.684 -5.563 18205 1385 1 7 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.471 -3.984 18205 1386 1 7 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.565 0.192 18205 1387 1 7 . 1 1 46 46 THR N N 46 115.974 115.974 114.707 1.267 18205 1388 1 7 . 1 1 46 46 THR CA C 46 56.999 56.999 61.887 -4.888 18205 1389 1 7 . 1 1 46 46 THR CB C 46 69.003 69.003 70.201 -1.198 18205 1390 1 7 . 1 1 47 47 GLY N N 47 107.491 107.491 108.702 -1.211 18205 1391 1 7 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.255 -2.365 18205 1392 1 7 . 1 1 48 48 GLY N N 48 106.552 106.552 107.683 -1.131 18205 1393 1 7 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.478 -3.659 18205 1394 1 7 . 1 1 49 49 LYS N N 49 120.570 120.570 120.592 -0.022 18205 1395 1 7 . 1 1 49 49 LYS CA C 49 57.163 57.163 57.696 -0.533 18205 1396 1 7 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.720 -1.554 18205 1397 1 7 . 1 1 50 50 GLU CA C 50 56.742 56.742 56.813 -0.071 18205 1398 1 7 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.629 -3.922 18205 1399 1 7 . 1 1 51 51 HIS N N 51 118.188 118.188 119.274 -1.086 18205 1400 1 7 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.372 -3.174 18205 1401 1 7 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.755 -0.406 18205 1402 1 7 . 1 1 52 52 GLY N N 52 107.553 107.553 110.746 -3.193 18205 1403 1 7 . 1 1 52 52 GLY CA C 52 43.849 43.849 46.020 -2.171 18205 1404 1 7 . 1 1 53 53 VAL N N 53 112.183 112.183 116.236 -4.053 18205 1405 1 7 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.214 -4.158 18205 1406 1 7 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.267 -2.207 18205 1407 1 7 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.468 -2.477 18205 1408 1 7 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.039 -1.534 18205 1409 1 7 . 1 1 55 55 ILE N N 55 118.060 118.060 121.972 -3.912 18205 1410 1 7 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.825 -4.984 18205 1411 1 7 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.269 -3.928 18205 1412 1 7 . 1 1 56 56 LEU N N 56 128.674 128.674 128.003 0.671 18205 1413 1 7 . 1 1 56 56 LEU CA C 56 50.633 50.633 53.766 -3.132 18205 1414 1 7 . 1 1 56 56 LEU CB C 56 43.818 43.818 44.183 -0.365 18205 1415 1 7 . 1 1 57 57 ILE N N 57 119.781 119.781 122.060 -2.279 18205 1416 1 7 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.091 -1.196 18205 1417 1 7 . 1 1 57 57 ILE CB C 57 34.806 34.806 39.216 -4.410 18205 1418 1 7 . 1 1 58 58 SER N N 58 125.216 125.216 118.291 6.925 18205 1419 1 7 . 1 1 58 58 SER CA C 58 56.128 56.128 57.716 -1.588 18205 1420 1 7 . 1 1 58 58 SER CB C 58 62.471 62.471 63.409 -0.938 18205 1421 1 7 . 1 1 59 59 GLU N N 59 119.507 119.507 121.193 -1.686 18205 1422 1 7 . 1 1 59 59 GLU CA C 59 54.405 54.405 55.791 -1.386 18205 1423 1 7 . 1 1 59 59 GLU CB C 59 32.308 32.308 30.914 1.394 18205 1424 1 7 . 1 1 60 60 ILE N N 60 123.253 123.253 125.445 -2.192 18205 1425 1 7 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.486 -3.491 18205 1426 1 7 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.778 -2.433 18205 1427 1 7 . 1 1 61 61 HIS N N 61 127.960 127.960 125.627 2.333 18205 1428 1 7 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.490 -2.871 18205 1429 1 7 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.071 -1.917 18205 1430 1 7 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.727 -1.902 18205 1431 1 7 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.178 -2.421 18205 1432 1 7 . 1 1 63 63 GLY N N 63 113.000 113.000 109.723 3.277 18205 1433 1 7 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.605 -2.209 18205 1434 1 7 . 1 1 64 64 GLN N N 64 120.180 120.180 119.275 0.905 18205 1435 1 7 . 1 1 64 64 GLN CA C 64 53.359 53.359 54.042 -0.683 18205 1436 1 7 . 1 1 65 65 PRO CA C 65 66.193 66.193 64.966 1.227 18205 1437 1 7 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.620 -1.958 18205 1438 1 7 . 1 1 66 66 ALA N N 66 118.252 118.252 121.127 -2.875 18205 1439 1 7 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.547 -0.547 18205 1440 1 7 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.402 -1.678 18205 1441 1 7 . 1 1 67 67 ASP N N 67 122.174 122.174 118.733 3.441 18205 1442 1 7 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.128 0.167 18205 1443 1 7 . 1 1 67 67 ASP CB C 67 40.741 40.741 41.002 -0.261 18205 1444 1 7 . 1 1 68 68 ARG N N 68 114.787 114.787 119.846 -5.059 18205 1445 1 7 . 1 1 68 68 ARG CA C 68 57.101 57.101 56.366 0.735 18205 1446 1 7 . 1 1 68 68 ARG CB C 68 28.636 28.636 29.837 -1.201 18205 1447 1 7 . 1 1 69 69 CYS N N 69 113.352 113.352 120.108 -6.756 18205 1448 1 7 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.167 -1.647 18205 1449 1 7 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.506 -1.121 18205 1450 1 7 . 1 1 70 70 GLY N N 70 108.658 108.658 109.871 -1.213 18205 1451 1 7 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.683 -1.531 18205 1452 1 7 . 1 1 71 71 GLY N N 71 105.700 105.700 107.446 -1.746 18205 1453 1 7 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.690 -2.079 18205 1454 1 7 . 1 1 72 72 LEU N N 72 118.948 118.948 122.782 -3.834 18205 1455 1 7 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.507 -2.935 18205 1456 1 7 . 1 1 72 72 LEU CB C 72 43.132 43.132 43.132 0.000 18205 1457 1 7 . 1 1 73 73 HIS N N 73 120.035 120.035 118.788 1.247 18205 1458 1 7 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.111 -2.954 18205 1459 1 7 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.802 -0.135 18205 1460 1 7 . 1 1 74 74 VAL N N 74 121.892 121.892 122.364 -0.472 18205 1461 1 7 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.416 -1.212 18205 1462 1 7 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.391 -3.505 18205 1463 1 7 . 1 1 75 75 GLY N N 75 116.308 116.308 111.954 4.354 18205 1464 1 7 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.332 -2.932 18205 1465 1 7 . 1 1 76 76 ASP N N 76 119.933 119.933 121.640 -1.707 18205 1466 1 7 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.492 -1.049 18205 1467 1 7 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.269 -2.525 18205 1468 1 7 . 1 1 77 77 ALA N N 77 122.682 122.682 125.868 -3.186 18205 1469 1 7 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.555 -4.030 18205 1470 1 7 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.738 -2.059 18205 1471 1 7 . 1 1 78 78 ILE N N 78 119.564 119.564 123.971 -4.407 18205 1472 1 7 . 1 1 78 78 ILE CA C 78 58.888 58.888 61.040 -2.152 18205 1473 1 7 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.706 -3.994 18205 1474 1 7 . 1 1 79 79 LEU N N 79 126.215 126.215 127.771 -1.556 18205 1475 1 7 . 1 1 79 79 LEU CA C 79 53.417 53.417 55.617 -2.200 18205 1476 1 7 . 1 1 79 79 LEU CB C 79 39.430 39.430 42.440 -3.010 18205 1477 1 7 . 1 1 80 80 ALA N N 80 116.961 116.961 121.205 -4.244 18205 1478 1 7 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.593 -1.974 18205 1479 1 7 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.246 -0.048 18205 1480 1 7 . 1 1 81 81 VAL N N 81 115.533 115.533 120.276 -4.743 18205 1481 1 7 . 1 1 81 81 VAL CA C 81 56.150 56.150 62.288 -6.138 18205 1482 1 7 . 1 1 81 81 VAL CB C 81 32.135 32.135 33.244 -1.109 18205 1483 1 7 . 1 1 82 82 ASN N N 82 126.719 126.719 119.618 7.101 18205 1484 1 7 . 1 1 82 82 ASN CA C 82 51.274 51.274 54.969 -3.695 18205 1485 1 7 . 1 1 82 82 ASN CB C 82 35.078 35.078 37.013 -1.935 18205 1486 1 7 . 1 1 83 83 GLY N N 83 102.614 102.614 106.110 -3.496 18205 1487 1 7 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.070 -1.973 18205 1488 1 7 . 1 1 84 84 VAL N N 84 124.896 124.896 122.232 2.664 18205 1489 1 7 . 1 1 84 84 VAL CA C 84 60.305 60.305 61.089 -0.784 18205 1490 1 7 . 1 1 84 84 VAL CB C 84 28.838 28.838 33.462 -4.624 18205 1491 1 7 . 1 1 85 85 ASN N N 85 125.676 125.676 123.763 1.913 18205 1492 1 7 . 1 1 85 85 ASN CA C 85 51.954 51.954 52.914 -0.961 18205 1493 1 7 . 1 1 85 85 ASN CB C 85 36.594 36.594 39.666 -3.072 18205 1494 1 7 . 1 1 86 86 LEU N N 86 126.803 126.803 123.773 3.030 18205 1495 1 7 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.585 -2.930 18205 1496 1 7 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.436 -1.416 18205 1497 1 7 . 1 1 87 87 ARG N N 87 122.878 122.878 122.639 0.239 18205 1498 1 7 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.718 0.878 18205 1499 1 7 . 1 1 88 88 ASP N N 88 117.719 117.719 121.333 -3.614 18205 1500 1 7 . 1 1 88 88 ASP CA C 88 51.537 51.537 53.745 -2.208 18205 1501 1 7 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.541 -3.465 18205 1502 1 7 . 1 1 89 89 THR N N 89 110.895 110.895 116.670 -5.775 18205 1503 1 7 . 1 1 89 89 THR CA C 89 59.675 59.675 63.777 -4.102 18205 1504 1 7 . 1 1 89 89 THR CB C 89 68.534 68.534 68.198 0.336 18205 1505 1 7 . 1 1 90 90 LYS N N 90 124.873 124.873 121.325 3.548 18205 1506 1 7 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.409 -1.839 18205 1507 1 7 . 1 1 91 91 HIS N N 91 124.719 124.719 121.688 3.031 18205 1508 1 7 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.674 3.087 18205 1509 1 7 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.233 -1.873 18205 1510 1 7 . 1 1 92 92 LYS N N 92 115.079 115.079 120.879 -5.800 18205 1511 1 7 . 1 1 92 92 LYS CA C 92 57.157 57.157 57.094 0.063 18205 1512 1 7 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.644 -2.861 18205 1513 1 7 . 1 1 93 93 GLU N N 93 118.333 118.333 120.528 -2.195 18205 1514 1 7 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.078 -0.659 18205 1515 1 7 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.864 -2.390 18205 1516 1 7 . 1 1 94 94 ALA N N 94 122.048 122.048 123.139 -1.091 18205 1517 1 7 . 1 1 94 94 ALA CA C 94 53.239 53.239 53.122 0.117 18205 1518 1 7 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.377 -2.273 18205 1519 1 7 . 1 1 95 95 VAL N N 95 117.243 117.243 119.359 -2.116 18205 1520 1 7 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.865 0.116 18205 1521 1 7 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.079 -0.740 18205 1522 1 7 . 1 1 96 96 THR N N 96 117.301 117.301 114.087 3.214 18205 1523 1 7 . 1 1 96 96 THR CA C 96 64.797 64.797 63.962 0.835 18205 1524 1 7 . 1 1 96 96 THR CB C 96 66.627 66.627 68.505 -1.878 18205 1525 1 7 . 1 1 97 97 ILE N N 97 122.420 122.420 121.435 0.985 18205 1526 1 7 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.486 0.754 18205 1527 1 7 . 1 1 97 97 ILE CB C 97 36.450 36.450 37.809 -1.359 18205 1528 1 7 . 1 1 98 98 LEU N N 98 120.107 120.107 119.363 0.744 18205 1529 1 7 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.244 0.545 18205 1530 1 7 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.589 -1.576 18205 1531 1 7 . 1 1 99 99 SER N N 99 112.880 112.880 116.715 -3.835 18205 1532 1 7 . 1 1 99 99 SER CA C 99 58.819 58.819 60.204 -1.385 18205 1533 1 7 . 1 1 99 99 SER CB C 99 61.198 61.198 62.867 -1.669 18205 1534 1 7 . 1 1 100 100 GLN N N 100 117.981 117.981 119.902 -1.921 18205 1535 1 7 . 1 1 100 100 GLN CA C 100 53.348 53.348 55.596 -2.248 18205 1536 1 7 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.664 -1.632 18205 1537 1 7 . 1 1 101 101 GLN N N 101 115.893 115.893 121.029 -5.136 18205 1538 1 7 . 1 1 101 101 GLN CA C 101 52.015 52.015 56.806 -4.791 18205 1539 1 7 . 1 1 101 101 GLN CB C 101 25.793 25.793 28.598 -2.805 18205 1540 1 7 . 1 1 102 102 ARG N N 102 121.538 121.538 118.185 3.353 18205 1541 1 7 . 1 1 102 102 ARG CA C 102 52.901 52.901 56.097 -3.196 18205 1542 1 7 . 1 1 102 102 ARG CB C 102 31.633 31.633 31.192 0.441 18205 1543 1 7 . 1 1 103 103 GLY N N 103 109.723 109.723 108.694 1.029 18205 1544 1 7 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.764 -1.469 18205 1545 1 7 . 1 1 104 104 GLU N N 104 125.678 125.678 120.091 5.587 18205 1546 1 7 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.766 -1.927 18205 1547 1 7 . 1 1 104 104 GLU CB C 104 27.639 27.639 32.113 -4.474 18205 1548 1 7 . 1 1 105 105 ILE N N 105 128.616 128.616 123.723 4.893 18205 1549 1 7 . 1 1 105 105 ILE CA C 105 58.409 58.409 61.260 -2.851 18205 1550 1 7 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.784 -0.341 18205 1551 1 7 . 1 1 106 106 GLU N N 106 126.992 126.992 127.185 -0.193 18205 1552 1 7 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.028 -3.372 18205 1553 1 7 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.720 -0.666 18205 1554 1 7 . 1 1 107 107 PHE N N 107 127.766 127.766 122.664 5.102 18205 1555 1 7 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.236 -2.660 18205 1556 1 7 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.801 -0.713 18205 1557 1 7 . 1 1 108 108 GLU N N 108 122.925 122.925 124.378 -1.453 18205 1558 1 7 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.635 -2.049 18205 1559 1 7 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.842 -2.412 18205 1560 1 7 . 1 1 109 109 VAL N N 109 117.483 117.483 119.748 -2.265 18205 1561 1 7 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.462 -5.557 18205 1562 1 7 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.894 0.970 18205 1563 1 7 . 1 1 110 110 VAL N N 110 116.769 116.769 123.468 -6.699 18205 1564 1 7 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.878 -3.926 18205 1565 1 7 . 1 1 110 110 VAL CB C 110 33.326 33.326 32.895 0.431 18205 1566 1 7 . 1 1 111 111 TYR N N 111 129.843 129.843 125.486 4.357 18205 1567 1 7 . 1 1 111 111 TYR CA C 111 56.831 56.831 58.299 -1.468 18205 1568 1 7 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.553 -3.081 18205 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 75 3.426 0.501 3.412 18205 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18205 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18205 4 1 1 "Average Difference" CA 82 2.717 2.146 1.676 18205 5 1 1 "Average Difference" CB 67 2.003 1.492 1.346 18205 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18205 7 1 2 "Average Difference" N 75 3.247 0.502 3.230 18205 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18205 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18205 10 1 2 "Average Difference" CA 82 2.661 2.093 1.654 18205 11 1 2 "Average Difference" CB 67 2.037 1.471 1.420 18205 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18205 13 1 3 "Average Difference" N 75 3.302 0.493 3.287 18205 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18205 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18205 16 1 3 "Average Difference" CA 82 2.658 2.115 1.621 18205 17 1 3 "Average Difference" CB 67 2.042 1.500 1.395 18205 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18205 19 1 4 "Average Difference" N 75 3.204 0.490 3.188 18205 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18205 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18205 22 1 4 "Average Difference" CA 82 2.765 2.196 1.691 18205 23 1 4 "Average Difference" CB 67 2.004 1.435 1.409 18205 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18205 25 1 5 "Average Difference" N 75 3.399 0.544 3.378 18205 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18205 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18205 28 1 5 "Average Difference" CA 82 2.676 2.090 1.681 18205 29 1 5 "Average Difference" CB 67 2.055 1.482 1.435 18205 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18205 31 1 6 "Average Difference" N 75 3.394 0.409 3.392 18205 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18205 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18205 34 1 6 "Average Difference" CA 82 2.673 2.107 1.656 18205 35 1 6 "Average Difference" CB 67 2.085 1.498 1.460 18205 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18205 37 1 7 "Average Difference" N 75 3.312 0.473 3.300 18205 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18205 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18205 40 1 7 "Average Difference" CA 82 2.678 2.109 1.660 18205 41 1 7 "Average Difference" CB 67 2.111 1.518 1.478 18205 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18205 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 18205 _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 28 28 ILE N N 28 121.959 121.959 121.570 0.389 18205 2 1 . 1 1 28 28 ILE CA C 28 60.071 60.071 60.943 -0.872 18205 3 1 . 1 1 28 28 ILE CB C 28 36.210 36.210 38.744 -2.534 18205 4 1 . 1 1 29 29 ARG N N 29 127.240 127.240 126.170 1.070 18205 5 1 . 1 1 29 29 ARG CA C 29 52.419 52.419 55.316 -2.897 18205 6 1 . 1 1 29 29 ARG CB C 29 29.075 29.075 31.909 -2.834 18205 7 1 . 1 1 30 30 LYS N N 30 120.323 120.323 122.741 -2.418 18205 8 1 . 1 1 30 30 LYS CA C 30 52.616 52.616 55.827 -3.211 18205 9 1 . 1 1 30 30 LYS CB C 30 31.532 31.532 33.878 -2.346 18205 10 1 . 1 1 31 31 VAL N N 31 125.472 125.472 124.183 1.289 18205 11 1 . 1 1 31 31 VAL CA C 31 58.956 58.956 61.215 -2.259 18205 12 1 . 1 1 31 31 VAL CB C 31 34.058 34.058 32.896 1.162 18205 13 1 . 1 1 32 32 LEU N N 32 128.344 128.344 126.702 1.642 18205 14 1 . 1 1 32 32 LEU CA C 32 51.517 51.517 54.948 -3.431 18205 15 1 . 1 1 32 32 LEU CB C 32 41.460 41.460 43.197 -1.737 18205 16 1 . 1 1 33 33 LEU N N 33 127.285 127.285 127.084 0.201 18205 17 1 . 1 1 33 33 LEU CA C 33 52.288 52.288 54.501 -2.213 18205 18 1 . 1 1 33 33 LEU CB C 33 43.190 43.190 43.120 0.070 18205 19 1 . 1 1 34 34 LEU N N 34 125.280 125.280 125.914 -0.634 18205 20 1 . 1 1 34 34 LEU CA C 34 51.585 51.585 54.364 -2.779 18205 21 1 . 1 1 34 34 LEU CB C 34 41.323 41.323 43.057 -1.734 18205 22 1 . 1 1 35 35 LYS N N 35 123.438 123.438 122.162 1.276 18205 23 1 . 1 1 35 35 LYS CA C 35 52.071 52.071 55.720 -3.649 18205 24 1 . 1 1 35 35 LYS CB C 35 33.892 33.892 34.316 -0.424 18205 25 1 . 1 1 36 36 GLU N N 36 125.677 125.677 121.889 3.788 18205 26 1 . 1 1 36 36 GLU CA C 36 53.582 53.582 55.997 -2.415 18205 27 1 . 1 1 38 38 HIS CA C 38 53.922 53.922 57.363 -3.441 18205 28 1 . 1 1 38 38 HIS CB C 38 28.061 28.061 29.047 -0.986 18205 29 1 . 1 1 39 39 GLU N N 39 120.209 120.209 119.598 0.611 18205 30 1 . 1 1 39 39 GLU CA C 39 52.726 52.726 57.127 -4.401 18205 31 1 . 1 1 39 39 GLU CB C 39 30.445 30.445 29.098 1.346 18205 32 1 . 1 1 40 40 GLY N N 40 108.547 108.547 108.925 -0.378 18205 33 1 . 1 1 40 40 GLY CA C 40 41.510 41.510 45.095 -3.585 18205 34 1 . 1 1 41 41 LEU CA C 41 55.039 55.039 56.318 -1.279 18205 35 1 . 1 1 41 41 LEU CB C 41 41.972 41.972 42.315 -0.343 18205 36 1 . 1 1 43 43 ILE CA C 43 56.373 56.373 60.046 -3.673 18205 37 1 . 1 1 43 43 ILE CB C 43 40.222 40.222 40.159 0.063 18205 38 1 . 1 1 44 44 SER N N 44 117.527 117.527 120.427 -2.900 18205 39 1 . 1 1 44 44 SER CA C 44 55.141 55.141 57.626 -2.485 18205 40 1 . 1 1 45 45 ILE N N 45 116.121 116.121 121.509 -5.388 18205 41 1 . 1 1 45 45 ILE CA C 45 56.487 56.487 60.452 -3.965 18205 42 1 . 1 1 45 45 ILE CB C 45 40.757 40.757 40.473 0.284 18205 43 1 . 1 1 46 46 THR N N 46 115.974 115.974 114.735 1.239 18205 44 1 . 1 1 46 46 THR CA C 46 56.999 56.999 61.927 -4.928 18205 45 1 . 1 1 46 46 THR CB C 46 69.003 69.003 70.221 -1.218 18205 46 1 . 1 1 47 47 GLY N N 47 107.491 107.491 108.760 -1.269 18205 47 1 . 1 1 47 47 GLY CA C 47 42.890 42.890 45.254 -2.364 18205 48 1 . 1 1 48 48 GLY N N 48 106.552 106.552 107.869 -1.317 18205 49 1 . 1 1 48 48 GLY CA C 48 41.819 41.819 45.614 -3.795 18205 50 1 . 1 1 49 49 LYS N N 49 120.570 120.570 120.512 0.058 18205 51 1 . 1 1 49 49 LYS CA C 49 57.163 57.163 57.860 -0.697 18205 52 1 . 1 1 49 49 LYS CB C 49 31.166 31.166 32.638 -1.472 18205 53 1 . 1 1 50 50 GLU CA C 50 56.742 56.742 57.207 -0.465 18205 54 1 . 1 1 50 50 GLU CB C 50 25.707 25.707 29.529 -3.822 18205 55 1 . 1 1 51 51 HIS N N 51 118.188 118.188 118.929 -0.741 18205 56 1 . 1 1 51 51 HIS CA C 51 53.198 53.198 56.372 -3.174 18205 57 1 . 1 1 51 51 HIS CB C 51 30.349 30.349 30.629 -0.280 18205 58 1 . 1 1 52 52 GLY N N 52 107.553 107.553 110.705 -3.152 18205 59 1 . 1 1 52 52 GLY CA C 52 43.849 43.849 45.995 -2.147 18205 60 1 . 1 1 53 53 VAL N N 53 112.183 112.183 116.860 -4.677 18205 61 1 . 1 1 53 53 VAL CA C 53 56.056 56.056 60.177 -4.121 18205 62 1 . 1 1 53 53 VAL CB C 53 32.061 32.061 34.238 -2.177 18205 63 1 . 1 1 54 54 PRO CA C 54 59.991 59.991 62.535 -2.544 18205 64 1 . 1 1 54 54 PRO CB C 54 30.505 30.505 32.035 -1.530 18205 65 1 . 1 1 55 55 ILE N N 55 118.060 118.060 122.152 -4.092 18205 66 1 . 1 1 55 55 ILE CA C 55 56.840 56.840 61.490 -4.650 18205 67 1 . 1 1 55 55 ILE CB C 55 32.341 32.341 36.456 -4.115 18205 68 1 . 1 1 56 56 LEU N N 56 128.674 128.674 128.509 0.165 18205 69 1 . 1 1 56 56 LEU CA C 56 50.633 50.633 54.119 -3.485 18205 70 1 . 1 1 56 56 LEU CB C 56 43.818 43.818 43.675 0.143 18205 71 1 . 1 1 57 57 ILE N N 57 119.781 119.781 122.813 -3.032 18205 72 1 . 1 1 57 57 ILE CA C 57 60.895 60.895 62.188 -1.293 18205 73 1 . 1 1 57 57 ILE CB C 57 34.806 34.806 38.969 -4.163 18205 74 1 . 1 1 58 58 SER N N 58 125.216 125.216 118.794 6.422 18205 75 1 . 1 1 58 58 SER CA C 58 56.128 56.128 57.857 -1.730 18205 76 1 . 1 1 58 58 SER CB C 58 62.471 62.471 63.474 -1.003 18205 77 1 . 1 1 59 59 GLU N N 59 119.507 119.507 121.573 -2.066 18205 78 1 . 1 1 59 59 GLU CA C 59 54.405 54.405 55.971 -1.566 18205 79 1 . 1 1 59 59 GLU CB C 59 32.308 32.308 30.914 1.394 18205 80 1 . 1 1 60 60 ILE N N 60 123.253 123.253 125.275 -2.022 18205 81 1 . 1 1 60 60 ILE CA C 60 56.995 56.995 60.643 -3.648 18205 82 1 . 1 1 60 60 ILE CB C 60 36.345 36.345 38.899 -2.554 18205 83 1 . 1 1 61 61 HIS N N 61 127.960 127.960 125.711 2.249 18205 84 1 . 1 1 61 61 HIS CA C 61 51.619 51.619 54.350 -2.731 18205 85 1 . 1 1 61 61 HIS CB C 61 28.154 28.154 30.014 -1.860 18205 86 1 . 1 1 62 62 PRO CA C 62 61.825 61.825 63.809 -1.984 18205 87 1 . 1 1 62 62 PRO CB C 62 29.757 29.757 32.148 -2.392 18205 88 1 . 1 1 63 63 GLY N N 63 113.000 113.000 109.941 3.059 18205 89 1 . 1 1 63 63 GLY CA C 63 43.396 43.396 45.395 -1.998 18205 90 1 . 1 1 64 64 GLN N N 64 120.180 120.180 119.186 0.994 18205 91 1 . 1 1 64 64 GLN CA C 64 53.359 53.359 53.795 -0.436 18205 92 1 . 1 1 65 65 PRO CA C 65 66.193 66.193 64.983 1.210 18205 93 1 . 1 1 65 65 PRO CB C 65 29.663 29.663 31.671 -2.008 18205 94 1 . 1 1 66 66 ALA N N 66 118.252 118.252 121.172 -2.920 18205 95 1 . 1 1 66 66 ALA CA C 66 53.000 53.000 53.382 -0.382 18205 96 1 . 1 1 66 66 ALA CB C 66 16.724 16.724 18.423 -1.699 18205 97 1 . 1 1 67 67 ASP N N 67 122.174 122.174 119.118 3.056 18205 98 1 . 1 1 67 67 ASP CA C 67 54.295 54.295 54.227 0.068 18205 99 1 . 1 1 67 67 ASP CB C 67 40.741 40.741 40.947 -0.206 18205 100 1 . 1 1 68 68 ARG N N 68 114.787 114.787 120.133 -5.346 18205 101 1 . 1 1 68 68 ARG CA C 68 57.101 57.101 56.654 0.447 18205 102 1 . 1 1 68 68 ARG CB C 68 28.636 28.636 29.740 -1.104 18205 103 1 . 1 1 69 69 CYS N N 69 113.352 113.352 119.624 -6.272 18205 104 1 . 1 1 69 69 CYS CA C 69 57.520 57.520 59.310 -1.790 18205 105 1 . 1 1 69 69 CYS CB C 69 25.385 25.385 26.442 -1.057 18205 106 1 . 1 1 70 70 GLY N N 70 108.658 108.658 109.514 -0.856 18205 107 1 . 1 1 70 70 GLY CA C 70 44.152 44.152 45.884 -1.732 18205 108 1 . 1 1 71 71 GLY N N 71 105.700 105.700 107.537 -1.837 18205 109 1 . 1 1 71 71 GLY CA C 71 42.611 42.611 44.829 -2.218 18205 110 1 . 1 1 72 72 LEU N N 72 118.948 118.948 122.343 -3.395 18205 111 1 . 1 1 72 72 LEU CA C 72 50.572 50.572 53.661 -3.089 18205 112 1 . 1 1 72 72 LEU CB C 72 43.132 43.132 43.226 -0.094 18205 113 1 . 1 1 73 73 HIS N N 73 120.035 120.035 118.896 1.139 18205 114 1 . 1 1 73 73 HIS CA C 73 52.157 52.157 55.219 -3.062 18205 115 1 . 1 1 73 73 HIS CB C 73 30.667 30.667 30.745 -0.078 18205 116 1 . 1 1 74 74 VAL N N 74 121.892 121.892 122.861 -0.969 18205 117 1 . 1 1 74 74 VAL CA C 74 63.204 63.204 64.261 -1.057 18205 118 1 . 1 1 74 74 VAL CB C 74 28.886 28.886 32.287 -3.401 18205 119 1 . 1 1 75 75 GLY N N 75 116.308 116.308 112.268 4.040 18205 120 1 . 1 1 75 75 GLY CA C 75 42.400 42.400 45.333 -2.933 18205 121 1 . 1 1 76 76 ASP N N 76 119.933 119.933 121.726 -1.793 18205 122 1 . 1 1 76 76 ASP CA C 76 53.443 53.443 54.656 -1.213 18205 123 1 . 1 1 76 76 ASP CB C 76 39.744 39.744 42.357 -2.613 18205 124 1 . 1 1 77 77 ALA N N 77 122.682 122.682 126.067 -3.385 18205 125 1 . 1 1 77 77 ALA CA C 77 47.525 47.525 51.563 -4.038 18205 126 1 . 1 1 77 77 ALA CB C 77 17.679 17.679 19.476 -1.797 18205 127 1 . 1 1 78 78 ILE N N 78 119.564 119.564 123.889 -4.325 18205 128 1 . 1 1 78 78 ILE CA C 78 58.888 58.888 60.977 -2.089 18205 129 1 . 1 1 78 78 ILE CB C 78 35.712 35.712 39.614 -3.902 18205 130 1 . 1 1 79 79 LEU N N 79 126.215 126.215 127.134 -0.919 18205 131 1 . 1 1 79 79 LEU CA C 79 53.417 53.417 55.312 -1.895 18205 132 1 . 1 1 79 79 LEU CB C 79 39.430 39.430 41.737 -2.307 18205 133 1 . 1 1 80 80 ALA N N 80 116.961 116.961 122.190 -5.229 18205 134 1 . 1 1 80 80 ALA CA C 80 49.619 49.619 51.786 -2.167 18205 135 1 . 1 1 80 80 ALA CB C 80 20.198 20.198 20.499 -0.301 18205 136 1 . 1 1 81 81 VAL N N 81 115.533 115.533 118.539 -3.006 18205 137 1 . 1 1 81 81 VAL CA C 81 56.150 56.150 61.981 -5.831 18205 138 1 . 1 1 81 81 VAL CB C 81 32.135 32.135 32.868 -0.733 18205 139 1 . 1 1 82 82 ASN N N 82 126.719 126.719 119.379 7.340 18205 140 1 . 1 1 82 82 ASN CA C 82 51.274 51.274 54.867 -3.593 18205 141 1 . 1 1 82 82 ASN CB C 82 35.078 35.078 37.005 -1.927 18205 142 1 . 1 1 83 83 GLY N N 83 102.614 102.614 106.767 -4.153 18205 143 1 . 1 1 83 83 GLY CA C 83 43.097 43.097 45.109 -2.012 18205 144 1 . 1 1 84 84 VAL N N 84 124.896 124.896 121.057 3.839 18205 145 1 . 1 1 84 84 VAL CA C 84 60.305 60.305 61.865 -1.560 18205 146 1 . 1 1 84 84 VAL CB C 84 28.838 28.838 32.619 -3.781 18205 147 1 . 1 1 85 85 ASN N N 85 125.676 125.676 123.345 2.331 18205 148 1 . 1 1 85 85 ASN CA C 85 51.954 51.954 52.824 -0.870 18205 149 1 . 1 1 85 85 ASN CB C 85 36.594 36.594 39.494 -2.900 18205 150 1 . 1 1 86 86 LEU N N 86 126.803 126.803 123.828 2.975 18205 151 1 . 1 1 86 86 LEU CA C 86 51.655 51.655 54.490 -2.835 18205 152 1 . 1 1 86 86 LEU CB C 86 41.020 41.020 42.440 -1.420 18205 153 1 . 1 1 87 87 ARG N N 87 122.878 122.878 122.712 0.166 18205 154 1 . 1 1 87 87 ARG CA C 87 56.596 56.596 55.840 0.756 18205 155 1 . 1 1 88 88 ASP N N 88 117.719 117.719 122.804 -5.085 18205 156 1 . 1 1 88 88 ASP CA C 88 51.537 51.537 53.924 -2.387 18205 157 1 . 1 1 88 88 ASP CB C 88 39.076 39.076 42.490 -3.414 18205 158 1 . 1 1 89 89 THR N N 89 110.895 110.895 116.122 -5.227 18205 159 1 . 1 1 89 89 THR CA C 89 59.675 59.675 63.213 -3.538 18205 160 1 . 1 1 89 89 THR CB C 89 68.534 68.534 68.398 0.136 18205 161 1 . 1 1 90 90 LYS N N 90 124.873 124.873 121.212 3.661 18205 162 1 . 1 1 90 90 LYS CA C 90 54.570 54.570 56.277 -1.707 18205 163 1 . 1 1 91 91 HIS N N 91 124.719 124.719 120.919 3.800 18205 164 1 . 1 1 91 91 HIS CA C 91 60.761 60.761 57.740 3.021 18205 165 1 . 1 1 91 91 HIS CB C 91 28.360 28.360 30.192 -1.832 18205 166 1 . 1 1 92 92 LYS N N 92 115.079 115.079 120.846 -5.767 18205 167 1 . 1 1 92 92 LYS CA C 92 57.157 57.157 57.092 0.065 18205 168 1 . 1 1 92 92 LYS CB C 92 29.783 29.783 32.554 -2.771 18205 169 1 . 1 1 93 93 GLU N N 93 118.333 118.333 120.504 -2.171 18205 170 1 . 1 1 93 93 GLU CA C 93 56.419 56.419 57.137 -0.718 18205 171 1 . 1 1 93 93 GLU CB C 93 27.474 27.474 29.842 -2.368 18205 172 1 . 1 1 94 94 ALA N N 94 122.048 122.048 123.108 -1.060 18205 173 1 . 1 1 94 94 ALA CA C 94 53.239 53.239 52.965 0.274 18205 174 1 . 1 1 94 94 ALA CB C 94 16.104 16.104 18.467 -2.363 18205 175 1 . 1 1 95 95 VAL N N 95 117.243 117.243 119.378 -2.135 18205 176 1 . 1 1 95 95 VAL CA C 95 64.981 64.981 64.898 0.083 18205 177 1 . 1 1 95 95 VAL CB C 95 29.339 29.339 30.470 -1.131 18205 178 1 . 1 1 96 96 THR N N 96 117.301 117.301 113.947 3.354 18205 179 1 . 1 1 96 96 THR CA C 96 64.797 64.797 63.766 1.031 18205 180 1 . 1 1 96 96 THR CB C 96 66.627 66.627 68.581 -1.954 18205 181 1 . 1 1 97 97 ILE N N 97 122.420 122.420 121.750 0.670 18205 182 1 . 1 1 97 97 ILE CA C 97 63.240 63.240 62.476 0.764 18205 183 1 . 1 1 97 97 ILE CB C 97 36.450 36.450 37.521 -1.071 18205 184 1 . 1 1 98 98 LEU N N 98 120.107 120.107 119.717 0.390 18205 185 1 . 1 1 98 98 LEU CA C 98 56.789 56.789 56.323 0.466 18205 186 1 . 1 1 98 98 LEU CB C 98 39.013 39.013 40.415 -1.403 18205 187 1 . 1 1 99 99 SER N N 99 112.880 112.880 115.725 -2.845 18205 188 1 . 1 1 99 99 SER CA C 99 58.819 58.819 59.859 -1.040 18205 189 1 . 1 1 99 99 SER CB C 99 61.198 61.198 62.753 -1.555 18205 190 1 . 1 1 100 100 GLN N N 100 117.981 117.981 120.326 -2.345 18205 191 1 . 1 1 100 100 GLN CA C 100 53.348 53.348 55.914 -2.566 18205 192 1 . 1 1 100 100 GLN CB C 100 27.032 27.032 28.536 -1.504 18205 193 1 . 1 1 101 101 GLN N N 101 115.893 115.893 120.582 -4.689 18205 194 1 . 1 1 101 101 GLN CA C 101 52.015 52.015 56.407 -4.392 18205 195 1 . 1 1 101 101 GLN CB C 101 25.793 25.793 29.024 -3.231 18205 196 1 . 1 1 102 102 ARG N N 102 121.538 121.538 119.046 2.492 18205 197 1 . 1 1 102 102 ARG CA C 102 52.901 52.901 56.128 -3.227 18205 198 1 . 1 1 102 102 ARG CB C 102 31.633 31.633 31.551 0.082 18205 199 1 . 1 1 103 103 GLY N N 103 109.723 109.723 109.174 0.549 18205 200 1 . 1 1 103 103 GLY CA C 103 44.295 44.295 45.399 -1.104 18205 201 1 . 1 1 104 104 GLU N N 104 125.678 125.678 120.731 4.947 18205 202 1 . 1 1 104 104 GLU CA C 104 53.839 53.839 55.644 -1.805 18205 203 1 . 1 1 104 104 GLU CB C 104 27.639 27.639 31.131 -3.492 18205 204 1 . 1 1 105 105 ILE N N 105 128.616 128.616 124.243 4.373 18205 205 1 . 1 1 105 105 ILE CA C 105 58.409 58.409 60.927 -2.518 18205 206 1 . 1 1 105 105 ILE CB C 105 38.443 38.443 38.758 -0.315 18205 207 1 . 1 1 106 106 GLU N N 106 126.992 126.992 127.217 -0.225 18205 208 1 . 1 1 106 106 GLU CA C 106 52.656 52.656 56.033 -3.377 18205 209 1 . 1 1 106 106 GLU CB C 106 30.054 30.054 30.479 -0.425 18205 210 1 . 1 1 107 107 PHE N N 107 127.766 127.766 123.438 4.328 18205 211 1 . 1 1 107 107 PHE CA C 107 54.576 54.576 57.309 -2.733 18205 212 1 . 1 1 107 107 PHE CB C 107 40.088 40.088 40.412 -0.324 18205 213 1 . 1 1 108 108 GLU N N 108 122.925 122.925 124.318 -1.393 18205 214 1 . 1 1 108 108 GLU CA C 108 53.586 53.586 55.626 -2.040 18205 215 1 . 1 1 108 108 GLU CB C 108 29.430 29.430 31.654 -2.224 18205 216 1 . 1 1 109 109 VAL N N 109 117.483 117.483 119.937 -2.454 18205 217 1 . 1 1 109 109 VAL CA C 109 55.905 55.905 61.485 -5.580 18205 218 1 . 1 1 109 109 VAL CB C 109 34.864 34.864 33.738 1.126 18205 219 1 . 1 1 110 110 VAL N N 110 116.769 116.769 122.687 -5.918 18205 220 1 . 1 1 110 110 VAL CA C 110 57.952 57.952 61.678 -3.726 18205 221 1 . 1 1 110 110 VAL CB C 110 33.326 33.326 33.462 -0.136 18205 222 1 . 1 1 111 111 TYR N N 111 129.843 129.843 124.502 5.341 18205 223 1 . 1 1 111 111 TYR CA C 111 56.831 56.831 57.902 -1.071 18205 224 1 . 1 1 111 111 TYR CB C 111 36.472 36.472 39.417 -2.945 18205 stop_ save_