data_17928 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17928 _Entry.PDB_ID 2LJB 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 17928 _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 7 7 ASP N N 24 125.504 125.504 120.623 4.881 17928 2 1 1 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.849 -0.890 17928 3 1 1 . 1 1 7 7 ASP H H 24 8.265 8.265 8.306 -0.041 17928 4 1 1 . 1 1 9 9 LEU N N 26 118.379 118.379 121.971 -3.592 17928 5 1 1 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.822 0.252 17928 6 1 1 . 1 1 9 9 LEU H H 26 8.246 8.246 7.943 0.303 17928 7 1 1 . 1 1 10 10 VAL N N 27 120.561 120.561 118.005 2.556 17928 8 1 1 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.285 1.196 17928 9 1 1 . 1 1 10 10 VAL H H 27 7.460 7.460 7.543 -0.083 17928 10 1 1 . 1 1 11 11 VAL N N 28 122.487 122.487 119.913 2.574 17928 11 1 1 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.638 1.554 17928 12 1 1 . 1 1 11 11 VAL H H 28 7.978 7.978 7.929 0.049 17928 13 1 1 . 1 1 12 12 ALA N N 29 121.460 121.460 121.647 -0.187 17928 14 1 1 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.229 0.635 17928 15 1 1 . 1 1 12 12 ALA H H 29 8.329 8.329 8.057 0.272 17928 16 1 1 . 1 1 13 13 ALA N N 30 118.764 118.764 118.982 -0.218 17928 17 1 1 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.738 0.847 17928 18 1 1 . 1 1 13 13 ALA H H 30 8.362 8.362 7.827 0.536 17928 19 1 1 . 1 1 14 14 SER N N 31 114.848 114.848 114.154 0.694 17928 20 1 1 . 1 1 14 14 SER CA C 31 63.128 63.128 61.497 1.631 17928 21 1 1 . 1 1 14 14 SER H H 31 8.081 8.081 7.729 0.352 17928 22 1 1 . 1 1 15 15 ILE N N 32 122.166 122.166 120.376 1.790 17928 23 1 1 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.618 0.788 17928 24 1 1 . 1 1 15 15 ILE H H 32 8.019 8.019 7.385 0.634 17928 25 1 1 . 1 1 16 16 ILE N N 33 119.855 119.855 117.592 2.263 17928 26 1 1 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.031 1.486 17928 27 1 1 . 1 1 16 16 ILE H H 33 8.157 8.157 7.246 0.911 17928 28 1 1 . 1 1 17 17 GLY N N 34 124.669 124.669 109.215 15.454 17928 29 1 1 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.042 0.842 17928 30 1 1 . 1 1 17 17 GLY H H 34 8.605 8.605 7.779 0.826 17928 31 1 1 . 1 1 18 18 ILE N N 35 122.487 122.487 121.396 1.091 17928 32 1 1 . 1 1 18 18 ILE CA C 35 65.381 65.381 62.034 3.347 17928 33 1 1 . 1 1 18 18 ILE H H 35 8.350 8.350 7.368 0.982 17928 34 1 1 . 1 1 19 19 LEU N N 36 120.690 120.690 120.291 0.399 17928 35 1 1 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.374 0.360 17928 36 1 1 . 1 1 19 19 LEU H H 36 8.327 8.327 7.400 0.927 17928 37 1 1 . 1 1 20 20 HIS N N 37 118.892 118.892 116.292 2.600 17928 38 1 1 . 1 1 20 20 HIS CA C 37 60.995 60.995 58.059 2.936 17928 39 1 1 . 1 1 20 20 HIS H H 37 8.432 8.432 7.631 0.801 17928 40 1 1 . 1 1 21 21 PHE N N 38 120.754 120.754 120.922 -0.168 17928 41 1 1 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.598 0.057 17928 42 1 1 . 1 1 21 21 PHE H H 38 8.415 8.415 7.476 0.939 17928 43 1 1 . 1 1 22 22 ILE N N 39 122.487 122.487 119.130 3.357 17928 44 1 1 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.162 1.785 17928 45 1 1 . 1 1 22 22 ILE H H 39 8.747 8.747 7.682 1.065 17928 46 1 1 . 1 1 23 23 ALA N N 40 122.808 122.808 122.083 0.725 17928 47 1 1 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.549 1.417 17928 48 1 1 . 1 1 23 23 ALA H H 40 8.346 8.346 7.504 0.842 17928 49 1 1 . 1 1 24 24 TRP N N 41 120.625 120.625 120.154 0.471 17928 50 1 1 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.974 0.331 17928 51 1 1 . 1 1 24 24 TRP H H 41 8.719 8.719 8.340 0.379 17928 52 1 1 . 1 1 25 25 THR N N 42 117.352 117.352 111.980 5.372 17928 53 1 1 . 1 1 25 25 THR CA C 42 67.884 67.884 65.712 2.172 17928 54 1 1 . 1 1 25 25 THR H H 42 8.170 8.170 7.438 0.732 17928 55 1 1 . 1 1 26 26 ILE N N 43 120.946 120.946 123.392 -2.446 17928 56 1 1 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.818 0.333 17928 57 1 1 . 1 1 26 26 ILE H H 43 8.181 8.181 8.223 -0.042 17928 58 1 1 . 1 1 27 27 GLY N N 44 123.707 123.707 106.663 17.044 17928 59 1 1 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.284 -0.237 17928 60 1 1 . 1 1 27 27 GLY H H 44 7.902 7.902 7.939 -0.037 17928 61 1 1 . 1 1 28 28 HIS N N 45 120.497 120.497 123.128 -2.631 17928 62 1 1 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.157 1.120 17928 63 1 1 . 1 1 28 28 HIS H H 45 7.578 7.578 7.535 0.043 17928 64 1 1 . 1 1 29 29 LEU N N 46 120.176 120.176 119.144 1.032 17928 65 1 1 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.280 -0.982 17928 66 1 1 . 1 1 29 29 LEU H H 46 7.998 7.998 8.461 -0.463 17928 67 1 1 . 1 1 30 30 ASN N N 47 116.774 116.774 116.478 0.296 17928 68 1 1 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.846 -1.035 17928 69 1 1 . 1 1 30 30 ASN H H 47 8.039 8.039 7.991 0.048 17928 70 1 1 . 1 1 31 31 GLN N N 48 118.571 118.571 121.224 -2.653 17928 71 1 1 . 1 1 31 31 GLN CA C 48 56.841 56.841 58.047 -1.206 17928 72 1 1 . 1 1 31 31 GLN H H 48 7.618 7.618 7.611 0.007 17928 73 1 1 . 1 1 32 32 ILE N N 49 119.919 119.919 118.498 1.421 17928 74 1 1 . 1 1 32 32 ILE CA C 49 62.271 62.271 62.921 -0.650 17928 75 1 1 . 1 1 32 32 ILE H H 49 7.565 7.565 7.207 0.358 17928 76 1 1 . 1 1 33 33 LYS N N 50 124.477 124.477 119.331 5.146 17928 77 1 1 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.820 -0.145 17928 78 1 1 . 1 1 33 33 LYS H H 50 7.976 7.976 7.497 0.479 17928 79 1 2 . 1 1 7 7 ASP N N 24 125.504 125.504 122.117 3.387 17928 80 1 2 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.927 -0.968 17928 81 1 2 . 1 1 7 7 ASP H H 24 8.265 8.265 8.070 0.195 17928 82 1 2 . 1 1 9 9 LEU N N 26 118.379 118.379 121.423 -3.044 17928 83 1 2 . 1 1 9 9 LEU CA C 26 58.074 58.074 58.097 -0.023 17928 84 1 2 . 1 1 9 9 LEU H H 26 8.246 8.246 7.966 0.280 17928 85 1 2 . 1 1 10 10 VAL N N 27 120.561 120.561 117.477 3.084 17928 86 1 2 . 1 1 10 10 VAL CA C 27 66.481 66.481 64.971 1.511 17928 87 1 2 . 1 1 10 10 VAL H H 27 7.460 7.460 7.724 -0.264 17928 88 1 2 . 1 1 11 11 VAL N N 28 122.487 122.487 119.832 2.655 17928 89 1 2 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.916 1.276 17928 90 1 2 . 1 1 11 11 VAL H H 28 7.978 7.978 7.584 0.394 17928 91 1 2 . 1 1 12 12 ALA N N 29 121.460 121.460 122.358 -0.898 17928 92 1 2 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.173 0.691 17928 93 1 2 . 1 1 12 12 ALA H H 29 8.329 8.329 8.229 0.100 17928 94 1 2 . 1 1 13 13 ALA N N 30 118.764 118.764 119.188 -0.424 17928 95 1 2 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.662 0.923 17928 96 1 2 . 1 1 13 13 ALA H H 30 8.362 8.362 7.711 0.651 17928 97 1 2 . 1 1 14 14 SER N N 31 114.848 114.848 114.247 0.601 17928 98 1 2 . 1 1 14 14 SER CA C 31 63.128 63.128 61.427 1.701 17928 99 1 2 . 1 1 14 14 SER H H 31 8.081 8.081 7.785 0.296 17928 100 1 2 . 1 1 15 15 ILE N N 32 122.166 122.166 120.629 1.537 17928 101 1 2 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.423 0.983 17928 102 1 2 . 1 1 15 15 ILE H H 32 8.019 8.019 7.463 0.556 17928 103 1 2 . 1 1 16 16 ILE N N 33 119.855 119.855 118.296 1.559 17928 104 1 2 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.470 1.046 17928 105 1 2 . 1 1 16 16 ILE H H 33 8.157 8.157 7.398 0.759 17928 106 1 2 . 1 1 17 17 GLY N N 34 124.669 124.669 108.745 15.924 17928 107 1 2 . 1 1 17 17 GLY CA C 34 47.884 47.884 46.890 0.994 17928 108 1 2 . 1 1 17 17 GLY H H 34 8.605 8.605 7.585 1.020 17928 109 1 2 . 1 1 18 18 ILE N N 35 122.487 122.487 121.888 0.599 17928 110 1 2 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.883 1.498 17928 111 1 2 . 1 1 18 18 ILE H H 35 8.350 8.350 7.345 1.005 17928 112 1 2 . 1 1 19 19 LEU N N 36 120.690 120.690 120.944 -0.254 17928 113 1 2 . 1 1 19 19 LEU CA C 36 58.734 58.734 57.898 0.836 17928 114 1 2 . 1 1 19 19 LEU H H 36 8.327 8.327 7.478 0.849 17928 115 1 2 . 1 1 20 20 HIS N N 37 118.892 118.892 117.537 1.355 17928 116 1 2 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.986 3.009 17928 117 1 2 . 1 1 20 20 HIS H H 37 8.432 8.432 7.739 0.693 17928 118 1 2 . 1 1 21 21 PHE N N 38 120.754 120.754 120.460 0.294 17928 119 1 2 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.417 0.238 17928 120 1 2 . 1 1 21 21 PHE H H 38 8.415 8.415 7.282 1.133 17928 121 1 2 . 1 1 22 22 ILE N N 39 122.487 122.487 119.721 2.766 17928 122 1 2 . 1 1 22 22 ILE CA C 39 65.947 65.947 63.926 2.021 17928 123 1 2 . 1 1 22 22 ILE H H 39 8.747 8.747 7.730 1.017 17928 124 1 2 . 1 1 23 23 ALA N N 40 122.808 122.808 121.540 1.268 17928 125 1 2 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.632 1.334 17928 126 1 2 . 1 1 23 23 ALA H H 40 8.346 8.346 7.419 0.927 17928 127 1 2 . 1 1 24 24 TRP N N 41 120.625 120.625 121.175 -0.550 17928 128 1 2 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.908 0.397 17928 129 1 2 . 1 1 24 24 TRP H H 41 8.719 8.719 8.329 0.390 17928 130 1 2 . 1 1 25 25 THR N N 42 117.352 117.352 111.256 6.096 17928 131 1 2 . 1 1 25 25 THR CA C 42 67.884 67.884 65.354 2.530 17928 132 1 2 . 1 1 25 25 THR H H 42 8.170 8.170 7.503 0.667 17928 133 1 2 . 1 1 26 26 ILE N N 43 120.946 120.946 122.453 -1.507 17928 134 1 2 . 1 1 26 26 ILE CA C 43 65.151 65.151 63.974 1.177 17928 135 1 2 . 1 1 26 26 ILE H H 43 8.181 8.181 8.439 -0.258 17928 136 1 2 . 1 1 27 27 GLY N N 44 123.707 123.707 107.066 16.641 17928 137 1 2 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.188 -0.141 17928 138 1 2 . 1 1 27 27 GLY H H 44 7.902 7.902 8.234 -0.332 17928 139 1 2 . 1 1 28 28 HIS N N 45 120.497 120.497 123.161 -2.664 17928 140 1 2 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.048 1.229 17928 141 1 2 . 1 1 28 28 HIS H H 45 7.578 7.578 7.584 -0.006 17928 142 1 2 . 1 1 29 29 LEU N N 46 120.176 120.176 119.215 0.961 17928 143 1 2 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.323 -1.025 17928 144 1 2 . 1 1 29 29 LEU H H 46 7.998 7.998 8.326 -0.328 17928 145 1 2 . 1 1 30 30 ASN N N 47 116.774 116.774 116.978 -0.204 17928 146 1 2 . 1 1 30 30 ASN CA C 47 54.811 54.811 56.580 -1.769 17928 147 1 2 . 1 1 30 30 ASN H H 47 8.039 8.039 8.123 -0.084 17928 148 1 2 . 1 1 31 31 GLN N N 48 118.571 118.571 118.536 0.035 17928 149 1 2 . 1 1 31 31 GLN CA C 48 56.841 56.841 58.556 -1.715 17928 150 1 2 . 1 1 31 31 GLN H H 48 7.618 7.618 7.566 0.052 17928 151 1 2 . 1 1 32 32 ILE N N 49 119.919 119.919 116.278 3.641 17928 152 1 2 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.978 -1.707 17928 153 1 2 . 1 1 32 32 ILE H H 49 7.565 7.565 7.085 0.480 17928 154 1 2 . 1 1 33 33 LYS N N 50 124.477 124.477 120.460 4.017 17928 155 1 2 . 1 1 33 33 LYS CA C 50 56.675 56.675 58.419 -1.744 17928 156 1 2 . 1 1 33 33 LYS H H 50 7.976 7.976 8.027 -0.051 17928 157 1 3 . 1 1 7 7 ASP N N 24 125.504 125.504 124.770 0.734 17928 158 1 3 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.720 -0.761 17928 159 1 3 . 1 1 7 7 ASP H H 24 8.265 8.265 8.482 -0.217 17928 160 1 3 . 1 1 9 9 LEU N N 26 118.379 118.379 121.546 -3.167 17928 161 1 3 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.980 0.094 17928 162 1 3 . 1 1 9 9 LEU H H 26 8.246 8.246 7.907 0.339 17928 163 1 3 . 1 1 10 10 VAL N N 27 120.561 120.561 117.973 2.588 17928 164 1 3 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.226 1.255 17928 165 1 3 . 1 1 10 10 VAL H H 27 7.460 7.460 7.609 -0.149 17928 166 1 3 . 1 1 11 11 VAL N N 28 122.487 122.487 119.178 3.309 17928 167 1 3 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.646 1.546 17928 168 1 3 . 1 1 11 11 VAL H H 28 7.978 7.978 7.796 0.182 17928 169 1 3 . 1 1 12 12 ALA N N 29 121.460 121.460 123.132 -1.672 17928 170 1 3 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.225 0.639 17928 171 1 3 . 1 1 12 12 ALA H H 29 8.329 8.329 8.093 0.236 17928 172 1 3 . 1 1 13 13 ALA N N 30 118.764 118.764 119.247 -0.483 17928 173 1 3 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.462 1.123 17928 174 1 3 . 1 1 13 13 ALA H H 30 8.362 8.362 7.860 0.502 17928 175 1 3 . 1 1 14 14 SER N N 31 114.848 114.848 115.287 -0.439 17928 176 1 3 . 1 1 14 14 SER CA C 31 63.128 63.128 61.510 1.618 17928 177 1 3 . 1 1 14 14 SER H H 31 8.081 8.081 8.090 -0.009 17928 178 1 3 . 1 1 15 15 ILE N N 32 122.166 122.166 118.611 3.555 17928 179 1 3 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.165 1.242 17928 180 1 3 . 1 1 15 15 ILE H H 32 8.019 8.019 7.476 0.542 17928 181 1 3 . 1 1 16 16 ILE N N 33 119.855 119.855 119.683 0.172 17928 182 1 3 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.270 1.246 17928 183 1 3 . 1 1 16 16 ILE H H 33 8.157 8.157 7.698 0.459 17928 184 1 3 . 1 1 17 17 GLY N N 34 124.669 124.669 109.095 15.574 17928 185 1 3 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.078 0.806 17928 186 1 3 . 1 1 17 17 GLY H H 34 8.605 8.605 8.176 0.429 17928 187 1 3 . 1 1 18 18 ILE N N 35 122.487 122.487 121.712 0.775 17928 188 1 3 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.383 1.998 17928 189 1 3 . 1 1 18 18 ILE H H 35 8.350 8.350 7.241 1.109 17928 190 1 3 . 1 1 19 19 LEU N N 36 120.690 120.690 121.332 -0.642 17928 191 1 3 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.103 0.631 17928 192 1 3 . 1 1 19 19 LEU H H 36 8.327 8.327 7.441 0.886 17928 193 1 3 . 1 1 20 20 HIS N N 37 118.892 118.892 117.009 1.883 17928 194 1 3 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.987 3.008 17928 195 1 3 . 1 1 20 20 HIS H H 37 8.432 8.432 7.705 0.727 17928 196 1 3 . 1 1 21 21 PHE N N 38 120.754 120.754 120.506 0.248 17928 197 1 3 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.642 0.013 17928 198 1 3 . 1 1 21 21 PHE H H 38 8.415 8.415 7.313 1.102 17928 199 1 3 . 1 1 22 22 ILE N N 39 122.487 122.487 118.477 4.010 17928 200 1 3 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.831 1.116 17928 201 1 3 . 1 1 22 22 ILE H H 39 8.747 8.747 7.683 1.064 17928 202 1 3 . 1 1 23 23 ALA N N 40 122.808 122.808 122.007 0.801 17928 203 1 3 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.698 1.268 17928 204 1 3 . 1 1 23 23 ALA H H 40 8.346 8.346 7.593 0.752 17928 205 1 3 . 1 1 24 24 TRP N N 41 120.625 120.625 120.434 0.191 17928 206 1 3 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.814 0.491 17928 207 1 3 . 1 1 24 24 TRP H H 41 8.719 8.719 8.702 0.017 17928 208 1 3 . 1 1 25 25 THR N N 42 117.352 117.352 111.020 6.332 17928 209 1 3 . 1 1 25 25 THR CA C 42 67.884 67.884 65.307 2.577 17928 210 1 3 . 1 1 25 25 THR H H 42 8.170 8.170 7.454 0.716 17928 211 1 3 . 1 1 26 26 ILE N N 43 120.946 120.946 122.483 -1.537 17928 212 1 3 . 1 1 26 26 ILE CA C 43 65.151 65.151 61.578 3.574 17928 213 1 3 . 1 1 26 26 ILE H H 43 8.181 8.181 8.321 -0.140 17928 214 1 3 . 1 1 27 27 GLY N N 44 123.707 123.707 107.057 16.650 17928 215 1 3 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.298 -0.251 17928 216 1 3 . 1 1 27 27 GLY H H 44 7.902 7.902 7.991 -0.089 17928 217 1 3 . 1 1 28 28 HIS N N 45 120.497 120.497 122.527 -2.030 17928 218 1 3 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.128 1.149 17928 219 1 3 . 1 1 28 28 HIS H H 45 7.578 7.578 7.297 0.281 17928 220 1 3 . 1 1 29 29 LEU N N 46 120.176 120.176 119.982 0.194 17928 221 1 3 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.155 -0.857 17928 222 1 3 . 1 1 29 29 LEU H H 46 7.998 7.998 8.667 -0.669 17928 223 1 3 . 1 1 30 30 ASN N N 47 116.774 116.774 116.179 0.595 17928 224 1 3 . 1 1 30 30 ASN CA C 47 54.811 54.811 56.034 -1.223 17928 225 1 3 . 1 1 30 30 ASN H H 47 8.039 8.039 7.929 0.110 17928 226 1 3 . 1 1 31 31 GLN N N 48 118.571 118.571 119.495 -0.924 17928 227 1 3 . 1 1 31 31 GLN CA C 48 56.841 56.841 58.142 -1.301 17928 228 1 3 . 1 1 31 31 GLN H H 48 7.618 7.618 7.832 -0.214 17928 229 1 3 . 1 1 32 32 ILE N N 49 119.919 119.919 114.714 5.205 17928 230 1 3 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.731 -1.460 17928 231 1 3 . 1 1 32 32 ILE H H 49 7.565 7.565 7.230 0.335 17928 232 1 3 . 1 1 33 33 LYS N N 50 124.477 124.477 120.452 4.025 17928 233 1 3 . 1 1 33 33 LYS CA C 50 56.675 56.675 57.483 -0.808 17928 234 1 3 . 1 1 33 33 LYS H H 50 7.976 7.976 7.912 0.064 17928 235 1 4 . 1 1 7 7 ASP N N 24 125.504 125.504 124.266 1.238 17928 236 1 4 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.850 -0.891 17928 237 1 4 . 1 1 7 7 ASP H H 24 8.265 8.265 8.492 -0.227 17928 238 1 4 . 1 1 9 9 LEU N N 26 118.379 118.379 121.779 -3.400 17928 239 1 4 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.850 0.224 17928 240 1 4 . 1 1 9 9 LEU H H 26 8.246 8.246 7.767 0.479 17928 241 1 4 . 1 1 10 10 VAL N N 27 120.561 120.561 118.083 2.478 17928 242 1 4 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.435 1.046 17928 243 1 4 . 1 1 10 10 VAL H H 27 7.460 7.460 7.416 0.044 17928 244 1 4 . 1 1 11 11 VAL N N 28 122.487 122.487 119.829 2.658 17928 245 1 4 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.828 1.364 17928 246 1 4 . 1 1 11 11 VAL H H 28 7.978 7.978 7.881 0.097 17928 247 1 4 . 1 1 12 12 ALA N N 29 121.460 121.460 122.433 -0.973 17928 248 1 4 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.185 0.678 17928 249 1 4 . 1 1 12 12 ALA H H 29 8.329 8.329 7.970 0.359 17928 250 1 4 . 1 1 13 13 ALA N N 30 118.764 118.764 118.711 0.053 17928 251 1 4 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.343 1.242 17928 252 1 4 . 1 1 13 13 ALA H H 30 8.362 8.362 7.561 0.801 17928 253 1 4 . 1 1 14 14 SER N N 31 114.848 114.848 115.362 -0.514 17928 254 1 4 . 1 1 14 14 SER CA C 31 63.128 63.128 61.438 1.690 17928 255 1 4 . 1 1 14 14 SER H H 31 8.081 8.081 7.936 0.145 17928 256 1 4 . 1 1 15 15 ILE N N 32 122.166 122.166 121.694 0.472 17928 257 1 4 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.578 0.828 17928 258 1 4 . 1 1 15 15 ILE H H 32 8.019 8.019 7.596 0.423 17928 259 1 4 . 1 1 16 16 ILE N N 33 119.855 119.855 118.712 1.143 17928 260 1 4 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.306 1.210 17928 261 1 4 . 1 1 16 16 ILE H H 33 8.157 8.157 7.445 0.712 17928 262 1 4 . 1 1 17 17 GLY N N 34 124.669 124.669 109.095 15.574 17928 263 1 4 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.093 0.791 17928 264 1 4 . 1 1 17 17 GLY H H 34 8.605 8.605 8.126 0.479 17928 265 1 4 . 1 1 18 18 ILE N N 35 122.487 122.487 121.854 0.633 17928 266 1 4 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.864 1.517 17928 267 1 4 . 1 1 18 18 ILE H H 35 8.350 8.350 7.255 1.095 17928 268 1 4 . 1 1 19 19 LEU N N 36 120.690 120.690 121.390 -0.700 17928 269 1 4 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.319 0.415 17928 270 1 4 . 1 1 19 19 LEU H H 36 8.327 8.327 7.279 1.048 17928 271 1 4 . 1 1 20 20 HIS N N 37 118.892 118.892 117.126 1.766 17928 272 1 4 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.742 3.253 17928 273 1 4 . 1 1 20 20 HIS H H 37 8.432 8.432 7.615 0.817 17928 274 1 4 . 1 1 21 21 PHE N N 38 120.754 120.754 121.665 -0.911 17928 275 1 4 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.245 0.410 17928 276 1 4 . 1 1 21 21 PHE H H 38 8.415 8.415 7.268 1.147 17928 277 1 4 . 1 1 22 22 ILE N N 39 122.487 122.487 119.744 2.743 17928 278 1 4 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.276 1.671 17928 279 1 4 . 1 1 22 22 ILE H H 39 8.747 8.747 7.713 1.034 17928 280 1 4 . 1 1 23 23 ALA N N 40 122.808 122.808 122.071 0.737 17928 281 1 4 . 1 1 23 23 ALA CA C 40 55.966 55.966 55.107 0.859 17928 282 1 4 . 1 1 23 23 ALA H H 40 8.346 8.346 7.584 0.762 17928 283 1 4 . 1 1 24 24 TRP N N 41 120.625 120.625 120.803 -0.178 17928 284 1 4 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.721 0.584 17928 285 1 4 . 1 1 24 24 TRP H H 41 8.719 8.719 7.955 0.764 17928 286 1 4 . 1 1 25 25 THR N N 42 117.352 117.352 111.217 6.135 17928 287 1 4 . 1 1 25 25 THR CA C 42 67.884 67.884 65.301 2.583 17928 288 1 4 . 1 1 25 25 THR H H 42 8.170 8.170 7.500 0.670 17928 289 1 4 . 1 1 26 26 ILE N N 43 120.946 120.946 121.351 -0.405 17928 290 1 4 . 1 1 26 26 ILE CA C 43 65.151 65.151 62.776 2.375 17928 291 1 4 . 1 1 26 26 ILE H H 43 8.181 8.181 7.645 0.536 17928 292 1 4 . 1 1 27 27 GLY N N 44 123.707 123.707 107.812 15.895 17928 293 1 4 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.384 -0.337 17928 294 1 4 . 1 1 27 27 GLY H H 44 7.902 7.902 7.916 -0.014 17928 295 1 4 . 1 1 28 28 HIS N N 45 120.497 120.497 123.153 -2.656 17928 296 1 4 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.789 0.488 17928 297 1 4 . 1 1 28 28 HIS H H 45 7.578 7.578 7.598 -0.020 17928 298 1 4 . 1 1 29 29 LEU N N 46 120.176 120.176 117.994 2.182 17928 299 1 4 . 1 1 29 29 LEU CA C 46 57.298 57.298 57.921 -0.623 17928 300 1 4 . 1 1 29 29 LEU H H 46 7.998 7.998 8.227 -0.229 17928 301 1 4 . 1 1 30 30 ASN N N 47 116.774 116.774 117.655 -0.881 17928 302 1 4 . 1 1 30 30 ASN CA C 47 54.811 54.811 56.030 -1.219 17928 303 1 4 . 1 1 30 30 ASN H H 47 8.039 8.039 7.862 0.177 17928 304 1 4 . 1 1 31 31 GLN N N 48 118.571 118.571 117.802 0.769 17928 305 1 4 . 1 1 31 31 GLN CA C 48 56.841 56.841 56.675 0.166 17928 306 1 4 . 1 1 31 31 GLN H H 48 7.618 7.618 7.441 0.177 17928 307 1 4 . 1 1 32 32 ILE N N 49 119.919 119.919 114.834 5.085 17928 308 1 4 . 1 1 32 32 ILE CA C 49 62.271 62.271 62.764 -0.493 17928 309 1 4 . 1 1 32 32 ILE H H 49 7.565 7.565 8.477 -0.912 17928 310 1 4 . 1 1 33 33 LYS N N 50 124.477 124.477 117.504 6.973 17928 311 1 4 . 1 1 33 33 LYS CA C 50 56.675 56.675 55.255 1.420 17928 312 1 4 . 1 1 33 33 LYS H H 50 7.976 7.976 7.327 0.649 17928 313 1 5 . 1 1 7 7 ASP N N 24 125.504 125.504 122.248 3.256 17928 314 1 5 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.717 -0.758 17928 315 1 5 . 1 1 7 7 ASP H H 24 8.265 8.265 8.366 -0.101 17928 316 1 5 . 1 1 9 9 LEU N N 26 118.379 118.379 121.650 -3.271 17928 317 1 5 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.794 0.280 17928 318 1 5 . 1 1 9 9 LEU H H 26 8.246 8.246 7.930 0.316 17928 319 1 5 . 1 1 10 10 VAL N N 27 120.561 120.561 118.831 1.730 17928 320 1 5 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.436 1.045 17928 321 1 5 . 1 1 10 10 VAL H H 27 7.460 7.460 7.488 -0.028 17928 322 1 5 . 1 1 11 11 VAL N N 28 122.487 122.487 119.234 3.253 17928 323 1 5 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.625 1.567 17928 324 1 5 . 1 1 11 11 VAL H H 28 7.978 7.978 8.020 -0.042 17928 325 1 5 . 1 1 12 12 ALA N N 29 121.460 121.460 121.533 -0.073 17928 326 1 5 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.040 0.824 17928 327 1 5 . 1 1 12 12 ALA H H 29 8.329 8.329 7.975 0.354 17928 328 1 5 . 1 1 13 13 ALA N N 30 118.764 118.764 119.046 -0.282 17928 329 1 5 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.380 1.205 17928 330 1 5 . 1 1 13 13 ALA H H 30 8.362 8.362 7.616 0.746 17928 331 1 5 . 1 1 14 14 SER N N 31 114.848 114.848 116.106 -1.258 17928 332 1 5 . 1 1 14 14 SER CA C 31 63.128 63.128 61.386 1.742 17928 333 1 5 . 1 1 14 14 SER H H 31 8.081 8.081 7.723 0.358 17928 334 1 5 . 1 1 15 15 ILE N N 32 122.166 122.166 121.651 0.515 17928 335 1 5 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.578 0.828 17928 336 1 5 . 1 1 15 15 ILE H H 32 8.019 8.019 7.585 0.434 17928 337 1 5 . 1 1 16 16 ILE N N 33 119.855 119.855 118.845 1.010 17928 338 1 5 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.347 1.169 17928 339 1 5 . 1 1 16 16 ILE H H 33 8.157 8.157 7.457 0.700 17928 340 1 5 . 1 1 17 17 GLY N N 34 124.669 124.669 109.113 15.556 17928 341 1 5 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.037 0.847 17928 342 1 5 . 1 1 17 17 GLY H H 34 8.605 8.605 8.175 0.430 17928 343 1 5 . 1 1 18 18 ILE N N 35 122.487 122.487 121.834 0.653 17928 344 1 5 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.899 1.482 17928 345 1 5 . 1 1 18 18 ILE H H 35 8.350 8.350 7.231 1.119 17928 346 1 5 . 1 1 19 19 LEU N N 36 120.690 120.690 120.755 -0.065 17928 347 1 5 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.195 0.539 17928 348 1 5 . 1 1 19 19 LEU H H 36 8.327 8.327 7.358 0.969 17928 349 1 5 . 1 1 20 20 HIS N N 37 118.892 118.892 116.865 2.027 17928 350 1 5 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.767 3.228 17928 351 1 5 . 1 1 20 20 HIS H H 37 8.432 8.432 7.709 0.723 17928 352 1 5 . 1 1 21 21 PHE N N 38 120.754 120.754 120.686 0.068 17928 353 1 5 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.465 0.190 17928 354 1 5 . 1 1 21 21 PHE H H 38 8.415 8.415 7.325 1.090 17928 355 1 5 . 1 1 22 22 ILE N N 39 122.487 122.487 119.371 3.116 17928 356 1 5 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.421 1.526 17928 357 1 5 . 1 1 22 22 ILE H H 39 8.747 8.747 7.776 0.971 17928 358 1 5 . 1 1 23 23 ALA N N 40 122.808 122.808 122.439 0.369 17928 359 1 5 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.753 1.213 17928 360 1 5 . 1 1 23 23 ALA H H 40 8.346 8.346 7.677 0.669 17928 361 1 5 . 1 1 24 24 TRP N N 41 120.625 120.625 120.425 0.200 17928 362 1 5 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.911 0.394 17928 363 1 5 . 1 1 24 24 TRP H H 41 8.719 8.719 8.633 0.086 17928 364 1 5 . 1 1 25 25 THR N N 42 117.352 117.352 111.855 5.497 17928 365 1 5 . 1 1 25 25 THR CA C 42 67.884 67.884 65.619 2.265 17928 366 1 5 . 1 1 25 25 THR H H 42 8.170 8.170 7.553 0.617 17928 367 1 5 . 1 1 26 26 ILE N N 43 120.946 120.946 122.053 -1.107 17928 368 1 5 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.722 0.429 17928 369 1 5 . 1 1 26 26 ILE H H 43 8.181 8.181 8.628 -0.447 17928 370 1 5 . 1 1 27 27 GLY N N 44 123.707 123.707 106.861 16.846 17928 371 1 5 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.103 -0.056 17928 372 1 5 . 1 1 27 27 GLY H H 44 7.902 7.902 8.044 -0.142 17928 373 1 5 . 1 1 28 28 HIS N N 45 120.497 120.497 122.893 -2.396 17928 374 1 5 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.611 0.666 17928 375 1 5 . 1 1 28 28 HIS H H 45 7.578 7.578 7.534 0.044 17928 376 1 5 . 1 1 29 29 LEU N N 46 120.176 120.176 119.263 0.913 17928 377 1 5 . 1 1 29 29 LEU CA C 46 57.298 57.298 57.895 -0.597 17928 378 1 5 . 1 1 29 29 LEU H H 46 7.998 7.998 8.413 -0.415 17928 379 1 5 . 1 1 30 30 ASN N N 47 116.774 116.774 115.007 1.767 17928 380 1 5 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.418 -0.607 17928 381 1 5 . 1 1 30 30 ASN H H 47 8.039 8.039 7.888 0.151 17928 382 1 5 . 1 1 31 31 GLN N N 48 118.571 118.571 116.546 2.025 17928 383 1 5 . 1 1 31 31 GLN CA C 48 56.841 56.841 56.157 0.684 17928 384 1 5 . 1 1 31 31 GLN H H 48 7.618 7.618 7.547 0.071 17928 385 1 5 . 1 1 32 32 ILE N N 49 119.919 119.919 112.338 7.581 17928 386 1 5 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.066 -0.795 17928 387 1 5 . 1 1 32 32 ILE H H 49 7.565 7.565 8.183 -0.618 17928 388 1 5 . 1 1 33 33 LYS N N 50 124.477 124.477 117.717 6.760 17928 389 1 5 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.065 0.610 17928 390 1 5 . 1 1 33 33 LYS H H 50 7.976 7.976 7.455 0.521 17928 391 1 6 . 1 1 7 7 ASP N N 24 125.504 125.504 121.347 4.157 17928 392 1 6 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.602 -0.643 17928 393 1 6 . 1 1 7 7 ASP H H 24 8.265 8.265 8.075 0.190 17928 394 1 6 . 1 1 9 9 LEU N N 26 118.379 118.379 122.471 -4.092 17928 395 1 6 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.799 0.275 17928 396 1 6 . 1 1 9 9 LEU H H 26 8.246 8.246 7.859 0.387 17928 397 1 6 . 1 1 10 10 VAL N N 27 120.561 120.561 118.310 2.251 17928 398 1 6 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.426 1.055 17928 399 1 6 . 1 1 10 10 VAL H H 27 7.460 7.460 7.691 -0.231 17928 400 1 6 . 1 1 11 11 VAL N N 28 122.487 122.487 119.317 3.170 17928 401 1 6 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.790 1.401 17928 402 1 6 . 1 1 11 11 VAL H H 28 7.978 7.978 7.955 0.023 17928 403 1 6 . 1 1 12 12 ALA N N 29 121.460 121.460 121.451 0.009 17928 404 1 6 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.087 0.777 17928 405 1 6 . 1 1 12 12 ALA H H 29 8.329 8.329 7.917 0.412 17928 406 1 6 . 1 1 13 13 ALA N N 30 118.764 118.764 119.352 -0.588 17928 407 1 6 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.910 0.674 17928 408 1 6 . 1 1 13 13 ALA H H 30 8.362 8.362 7.728 0.634 17928 409 1 6 . 1 1 14 14 SER N N 31 114.848 114.848 114.275 0.573 17928 410 1 6 . 1 1 14 14 SER CA C 31 63.128 63.128 60.960 2.168 17928 411 1 6 . 1 1 14 14 SER H H 31 8.081 8.081 7.527 0.554 17928 412 1 6 . 1 1 15 15 ILE N N 32 122.166 122.166 121.608 0.558 17928 413 1 6 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.584 0.822 17928 414 1 6 . 1 1 15 15 ILE H H 32 8.019 8.019 7.440 0.579 17928 415 1 6 . 1 1 16 16 ILE N N 33 119.855 119.855 118.308 1.547 17928 416 1 6 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.274 1.242 17928 417 1 6 . 1 1 16 16 ILE H H 33 8.157 8.157 7.484 0.673 17928 418 1 6 . 1 1 17 17 GLY N N 34 124.669 124.669 109.051 15.618 17928 419 1 6 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.114 0.770 17928 420 1 6 . 1 1 17 17 GLY H H 34 8.605 8.605 8.106 0.499 17928 421 1 6 . 1 1 18 18 ILE N N 35 122.487 122.487 121.935 0.552 17928 422 1 6 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.319 2.062 17928 423 1 6 . 1 1 18 18 ILE H H 35 8.350 8.350 7.264 1.086 17928 424 1 6 . 1 1 19 19 LEU N N 36 120.690 120.690 120.617 0.073 17928 425 1 6 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.282 0.452 17928 426 1 6 . 1 1 19 19 LEU H H 36 8.327 8.327 7.216 1.111 17928 427 1 6 . 1 1 20 20 HIS N N 37 118.892 118.892 117.365 1.527 17928 428 1 6 . 1 1 20 20 HIS CA C 37 60.995 60.995 58.171 2.824 17928 429 1 6 . 1 1 20 20 HIS H H 37 8.432 8.432 7.785 0.647 17928 430 1 6 . 1 1 21 21 PHE N N 38 120.754 120.754 120.369 0.385 17928 431 1 6 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.390 0.265 17928 432 1 6 . 1 1 21 21 PHE H H 38 8.415 8.415 7.314 1.101 17928 433 1 6 . 1 1 22 22 ILE N N 39 122.487 122.487 120.056 2.431 17928 434 1 6 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.264 1.683 17928 435 1 6 . 1 1 22 22 ILE H H 39 8.747 8.747 7.817 0.930 17928 436 1 6 . 1 1 23 23 ALA N N 40 122.808 122.808 121.002 1.806 17928 437 1 6 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.444 1.522 17928 438 1 6 . 1 1 23 23 ALA H H 40 8.346 8.346 8.083 0.263 17928 439 1 6 . 1 1 24 24 TRP N N 41 120.625 120.625 120.543 0.082 17928 440 1 6 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.712 0.593 17928 441 1 6 . 1 1 24 24 TRP H H 41 8.719 8.719 8.119 0.600 17928 442 1 6 . 1 1 25 25 THR N N 42 117.352 117.352 112.913 4.439 17928 443 1 6 . 1 1 25 25 THR CA C 42 67.884 67.884 65.451 2.433 17928 444 1 6 . 1 1 25 25 THR H H 42 8.170 8.170 7.328 0.842 17928 445 1 6 . 1 1 26 26 ILE N N 43 120.946 120.946 122.302 -1.356 17928 446 1 6 . 1 1 26 26 ILE CA C 43 65.151 65.151 63.818 1.333 17928 447 1 6 . 1 1 26 26 ILE H H 43 8.181 8.181 8.069 0.112 17928 448 1 6 . 1 1 27 27 GLY N N 44 123.707 123.707 106.630 17.077 17928 449 1 6 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.117 -0.070 17928 450 1 6 . 1 1 27 27 GLY H H 44 7.902 7.902 7.955 -0.053 17928 451 1 6 . 1 1 28 28 HIS N N 45 120.497 120.497 122.589 -2.092 17928 452 1 6 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.533 0.744 17928 453 1 6 . 1 1 28 28 HIS H H 45 7.578 7.578 7.888 -0.310 17928 454 1 6 . 1 1 29 29 LEU N N 46 120.176 120.176 119.924 0.252 17928 455 1 6 . 1 1 29 29 LEU CA C 46 57.298 57.298 57.854 -0.556 17928 456 1 6 . 1 1 29 29 LEU H H 46 7.998 7.998 8.348 -0.350 17928 457 1 6 . 1 1 30 30 ASN N N 47 116.774 116.774 116.279 0.495 17928 458 1 6 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.081 -0.270 17928 459 1 6 . 1 1 30 30 ASN H H 47 8.039 8.039 7.827 0.212 17928 460 1 6 . 1 1 31 31 GLN N N 48 118.571 118.571 118.424 0.147 17928 461 1 6 . 1 1 31 31 GLN CA C 48 56.841 56.841 55.057 1.784 17928 462 1 6 . 1 1 31 31 GLN H H 48 7.618 7.618 7.556 0.062 17928 463 1 6 . 1 1 32 32 ILE N N 49 119.919 119.919 119.047 0.872 17928 464 1 6 . 1 1 32 32 ILE CA C 49 62.271 62.271 62.497 -0.226 17928 465 1 6 . 1 1 32 32 ILE H H 49 7.565 7.565 8.310 -0.745 17928 466 1 6 . 1 1 33 33 LYS N N 50 124.477 124.477 119.622 4.855 17928 467 1 6 . 1 1 33 33 LYS CA C 50 56.675 56.675 55.736 0.939 17928 468 1 6 . 1 1 33 33 LYS H H 50 7.976 7.976 8.117 -0.141 17928 469 1 7 . 1 1 7 7 ASP N N 24 125.504 125.504 121.575 3.929 17928 470 1 7 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.935 -0.976 17928 471 1 7 . 1 1 7 7 ASP H H 24 8.265 8.265 8.288 -0.023 17928 472 1 7 . 1 1 9 9 LEU N N 26 118.379 118.379 121.667 -3.288 17928 473 1 7 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.915 0.159 17928 474 1 7 . 1 1 9 9 LEU H H 26 8.246 8.246 7.883 0.363 17928 475 1 7 . 1 1 10 10 VAL N N 27 120.561 120.561 118.062 2.499 17928 476 1 7 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.182 1.299 17928 477 1 7 . 1 1 10 10 VAL H H 27 7.460 7.460 7.557 -0.097 17928 478 1 7 . 1 1 11 11 VAL N N 28 122.487 122.487 119.427 3.060 17928 479 1 7 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.567 1.625 17928 480 1 7 . 1 1 11 11 VAL H H 28 7.978 7.978 7.813 0.165 17928 481 1 7 . 1 1 12 12 ALA N N 29 121.460 121.460 121.822 -0.362 17928 482 1 7 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.182 0.682 17928 483 1 7 . 1 1 12 12 ALA H H 29 8.329 8.329 8.046 0.283 17928 484 1 7 . 1 1 13 13 ALA N N 30 118.764 118.764 119.179 -0.415 17928 485 1 7 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.646 0.939 17928 486 1 7 . 1 1 13 13 ALA H H 30 8.362 8.362 7.705 0.657 17928 487 1 7 . 1 1 14 14 SER N N 31 114.848 114.848 114.476 0.372 17928 488 1 7 . 1 1 14 14 SER CA C 31 63.128 63.128 61.564 1.564 17928 489 1 7 . 1 1 14 14 SER H H 31 8.081 8.081 7.823 0.258 17928 490 1 7 . 1 1 15 15 ILE N N 32 122.166 122.166 120.977 1.189 17928 491 1 7 . 1 1 15 15 ILE CA C 32 65.406 65.406 63.567 1.839 17928 492 1 7 . 1 1 15 15 ILE H H 32 8.019 8.019 7.490 0.529 17928 493 1 7 . 1 1 16 16 ILE N N 33 119.855 119.855 118.336 1.519 17928 494 1 7 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.352 1.164 17928 495 1 7 . 1 1 16 16 ILE H H 33 8.157 8.157 7.545 0.612 17928 496 1 7 . 1 1 17 17 GLY N N 34 124.669 124.669 109.073 15.596 17928 497 1 7 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.077 0.807 17928 498 1 7 . 1 1 17 17 GLY H H 34 8.605 8.605 7.959 0.646 17928 499 1 7 . 1 1 18 18 ILE N N 35 122.487 122.487 121.538 0.949 17928 500 1 7 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.353 2.028 17928 501 1 7 . 1 1 18 18 ILE H H 35 8.350 8.350 7.253 1.097 17928 502 1 7 . 1 1 19 19 LEU N N 36 120.690 120.690 120.997 -0.307 17928 503 1 7 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.078 0.656 17928 504 1 7 . 1 1 19 19 LEU H H 36 8.327 8.327 7.225 1.102 17928 505 1 7 . 1 1 20 20 HIS N N 37 118.892 118.892 116.961 1.931 17928 506 1 7 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.818 3.177 17928 507 1 7 . 1 1 20 20 HIS H H 37 8.432 8.432 7.650 0.782 17928 508 1 7 . 1 1 21 21 PHE N N 38 120.754 120.754 120.714 0.040 17928 509 1 7 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.579 0.076 17928 510 1 7 . 1 1 21 21 PHE H H 38 8.415 8.415 7.365 1.050 17928 511 1 7 . 1 1 22 22 ILE N N 39 122.487 122.487 119.100 3.387 17928 512 1 7 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.451 1.496 17928 513 1 7 . 1 1 22 22 ILE H H 39 8.747 8.747 7.756 0.991 17928 514 1 7 . 1 1 23 23 ALA N N 40 122.808 122.808 122.635 0.173 17928 515 1 7 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.728 1.238 17928 516 1 7 . 1 1 23 23 ALA H H 40 8.346 8.346 7.647 0.699 17928 517 1 7 . 1 1 24 24 TRP N N 41 120.625 120.625 120.396 0.229 17928 518 1 7 . 1 1 24 24 TRP CA C 41 61.305 61.305 61.030 0.275 17928 519 1 7 . 1 1 24 24 TRP H H 41 8.719 8.719 8.620 0.099 17928 520 1 7 . 1 1 25 25 THR N N 42 117.352 117.352 110.836 6.516 17928 521 1 7 . 1 1 25 25 THR CA C 42 67.884 67.884 65.158 2.726 17928 522 1 7 . 1 1 25 25 THR H H 42 8.170 8.170 7.403 0.767 17928 523 1 7 . 1 1 26 26 ILE N N 43 120.946 120.946 122.638 -1.692 17928 524 1 7 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.481 0.670 17928 525 1 7 . 1 1 26 26 ILE H H 43 8.181 8.181 8.362 -0.181 17928 526 1 7 . 1 1 27 27 GLY N N 44 123.707 123.707 106.913 16.794 17928 527 1 7 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.062 -0.014 17928 528 1 7 . 1 1 27 27 GLY H H 44 7.902 7.902 8.226 -0.324 17928 529 1 7 . 1 1 28 28 HIS N N 45 120.497 120.497 122.633 -2.136 17928 530 1 7 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.059 1.218 17928 531 1 7 . 1 1 28 28 HIS H H 45 7.578 7.578 7.524 0.054 17928 532 1 7 . 1 1 29 29 LEU N N 46 120.176 120.176 118.689 1.487 17928 533 1 7 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.308 -1.010 17928 534 1 7 . 1 1 29 29 LEU H H 46 7.998 7.998 8.180 -0.182 17928 535 1 7 . 1 1 30 30 ASN N N 47 116.774 116.774 116.761 0.013 17928 536 1 7 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.854 -1.043 17928 537 1 7 . 1 1 30 30 ASN H H 47 8.039 8.039 7.842 0.197 17928 538 1 7 . 1 1 31 31 GLN N N 48 118.571 118.571 117.669 0.902 17928 539 1 7 . 1 1 31 31 GLN CA C 48 56.841 56.841 55.448 1.393 17928 540 1 7 . 1 1 31 31 GLN H H 48 7.618 7.618 7.725 -0.107 17928 541 1 7 . 1 1 32 32 ILE N N 49 119.919 119.919 117.516 2.403 17928 542 1 7 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.433 -1.162 17928 543 1 7 . 1 1 32 32 ILE H H 49 7.565 7.565 8.616 -1.051 17928 544 1 7 . 1 1 33 33 LYS N N 50 124.477 124.477 119.251 5.226 17928 545 1 7 . 1 1 33 33 LYS CA C 50 56.675 56.675 57.664 -0.989 17928 546 1 7 . 1 1 33 33 LYS H H 50 7.976 7.976 7.526 0.450 17928 547 1 8 . 1 1 7 7 ASP N N 24 125.504 125.504 123.358 2.146 17928 548 1 8 . 1 1 7 7 ASP CA C 24 52.959 52.959 54.047 -1.088 17928 549 1 8 . 1 1 7 7 ASP H H 24 8.265 8.265 8.385 -0.120 17928 550 1 8 . 1 1 9 9 LEU N N 26 118.379 118.379 121.857 -3.478 17928 551 1 8 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.860 0.214 17928 552 1 8 . 1 1 9 9 LEU H H 26 8.246 8.246 7.838 0.408 17928 553 1 8 . 1 1 10 10 VAL N N 27 120.561 120.561 117.970 2.591 17928 554 1 8 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.324 1.157 17928 555 1 8 . 1 1 10 10 VAL H H 27 7.460 7.460 7.532 -0.072 17928 556 1 8 . 1 1 11 11 VAL N N 28 122.487 122.487 120.067 2.420 17928 557 1 8 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.864 1.328 17928 558 1 8 . 1 1 11 11 VAL H H 28 7.978 7.978 7.900 0.078 17928 559 1 8 . 1 1 12 12 ALA N N 29 121.460 121.460 121.508 -0.048 17928 560 1 8 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.129 0.735 17928 561 1 8 . 1 1 12 12 ALA H H 29 8.329 8.329 7.869 0.460 17928 562 1 8 . 1 1 13 13 ALA N N 30 118.764 118.764 119.009 -0.245 17928 563 1 8 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.523 1.062 17928 564 1 8 . 1 1 13 13 ALA H H 30 8.362 8.362 7.838 0.524 17928 565 1 8 . 1 1 14 14 SER N N 31 114.848 114.848 115.501 -0.653 17928 566 1 8 . 1 1 14 14 SER CA C 31 63.128 63.128 61.189 1.939 17928 567 1 8 . 1 1 14 14 SER H H 31 8.081 8.081 7.754 0.327 17928 568 1 8 . 1 1 15 15 ILE N N 32 122.166 122.166 121.028 1.138 17928 569 1 8 . 1 1 15 15 ILE CA C 32 65.406 65.406 63.672 1.734 17928 570 1 8 . 1 1 15 15 ILE H H 32 8.019 8.019 7.652 0.367 17928 571 1 8 . 1 1 16 16 ILE N N 33 119.855 119.855 118.584 1.271 17928 572 1 8 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.434 1.082 17928 573 1 8 . 1 1 16 16 ILE H H 33 8.157 8.157 7.524 0.633 17928 574 1 8 . 1 1 17 17 GLY N N 34 124.669 124.669 109.107 15.562 17928 575 1 8 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.117 0.767 17928 576 1 8 . 1 1 17 17 GLY H H 34 8.605 8.605 8.142 0.463 17928 577 1 8 . 1 1 18 18 ILE N N 35 122.487 122.487 121.539 0.948 17928 578 1 8 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.950 1.431 17928 579 1 8 . 1 1 18 18 ILE H H 35 8.350 8.350 7.225 1.125 17928 580 1 8 . 1 1 19 19 LEU N N 36 120.690 120.690 121.406 -0.716 17928 581 1 8 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.060 0.674 17928 582 1 8 . 1 1 19 19 LEU H H 36 8.327 8.327 7.271 1.056 17928 583 1 8 . 1 1 20 20 HIS N N 37 118.892 118.892 116.982 1.910 17928 584 1 8 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.954 3.041 17928 585 1 8 . 1 1 20 20 HIS H H 37 8.432 8.432 7.702 0.730 17928 586 1 8 . 1 1 21 21 PHE N N 38 120.754 120.754 120.773 -0.019 17928 587 1 8 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.631 0.024 17928 588 1 8 . 1 1 21 21 PHE H H 38 8.415 8.415 7.318 1.097 17928 589 1 8 . 1 1 22 22 ILE N N 39 122.487 122.487 118.974 3.513 17928 590 1 8 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.212 1.735 17928 591 1 8 . 1 1 22 22 ILE H H 39 8.747 8.747 7.682 1.065 17928 592 1 8 . 1 1 23 23 ALA N N 40 122.808 122.808 122.171 0.637 17928 593 1 8 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.573 1.393 17928 594 1 8 . 1 1 23 23 ALA H H 40 8.346 8.346 7.498 0.848 17928 595 1 8 . 1 1 24 24 TRP N N 41 120.625 120.625 120.361 0.264 17928 596 1 8 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.986 0.319 17928 597 1 8 . 1 1 24 24 TRP H H 41 8.719 8.719 8.765 -0.046 17928 598 1 8 . 1 1 25 25 THR N N 42 117.352 117.352 111.250 6.102 17928 599 1 8 . 1 1 25 25 THR CA C 42 67.884 67.884 65.449 2.435 17928 600 1 8 . 1 1 25 25 THR H H 42 8.170 8.170 7.365 0.805 17928 601 1 8 . 1 1 26 26 ILE N N 43 120.946 120.946 122.773 -1.827 17928 602 1 8 . 1 1 26 26 ILE CA C 43 65.151 65.151 62.321 2.830 17928 603 1 8 . 1 1 26 26 ILE H H 43 8.181 8.181 8.373 -0.192 17928 604 1 8 . 1 1 27 27 GLY N N 44 123.707 123.707 106.761 16.946 17928 605 1 8 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.224 -0.176 17928 606 1 8 . 1 1 27 27 GLY H H 44 7.902 7.902 8.105 -0.203 17928 607 1 8 . 1 1 28 28 HIS N N 45 120.497 120.497 123.090 -2.593 17928 608 1 8 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.084 1.192 17928 609 1 8 . 1 1 28 28 HIS H H 45 7.578 7.578 7.578 -0.000 17928 610 1 8 . 1 1 29 29 LEU N N 46 120.176 120.176 118.526 1.650 17928 611 1 8 . 1 1 29 29 LEU CA C 46 57.298 57.298 57.836 -0.538 17928 612 1 8 . 1 1 29 29 LEU H H 46 7.998 7.998 8.122 -0.124 17928 613 1 8 . 1 1 30 30 ASN N N 47 116.774 116.774 116.830 -0.056 17928 614 1 8 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.575 -0.764 17928 615 1 8 . 1 1 30 30 ASN H H 47 8.039 8.039 7.933 0.106 17928 616 1 8 . 1 1 31 31 GLN N N 48 118.571 118.571 120.069 -1.498 17928 617 1 8 . 1 1 31 31 GLN CA C 48 56.841 56.841 54.767 2.074 17928 618 1 8 . 1 1 31 31 GLN H H 48 7.618 7.618 7.779 -0.162 17928 619 1 8 . 1 1 32 32 ILE N N 49 119.919 119.919 117.254 2.665 17928 620 1 8 . 1 1 32 32 ILE CA C 49 62.271 62.271 60.356 1.915 17928 621 1 8 . 1 1 32 32 ILE H H 49 7.565 7.565 7.596 -0.031 17928 622 1 8 . 1 1 33 33 LYS N N 50 124.477 124.477 122.365 2.112 17928 623 1 8 . 1 1 33 33 LYS CA C 50 56.675 56.675 58.955 -2.280 17928 624 1 8 . 1 1 33 33 LYS H H 50 7.976 7.976 8.473 -0.497 17928 625 1 9 . 1 1 7 7 ASP N N 24 125.504 125.504 122.980 2.524 17928 626 1 9 . 1 1 7 7 ASP CA C 24 52.959 52.959 54.045 -1.086 17928 627 1 9 . 1 1 7 7 ASP H H 24 8.265 8.265 8.410 -0.145 17928 628 1 9 . 1 1 9 9 LEU N N 26 118.379 118.379 121.595 -3.216 17928 629 1 9 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.953 0.122 17928 630 1 9 . 1 1 9 9 LEU H H 26 8.246 8.246 7.942 0.304 17928 631 1 9 . 1 1 10 10 VAL N N 27 120.561 120.561 117.800 2.761 17928 632 1 9 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.064 1.417 17928 633 1 9 . 1 1 10 10 VAL H H 27 7.460 7.460 7.680 -0.220 17928 634 1 9 . 1 1 11 11 VAL N N 28 122.487 122.487 119.685 2.802 17928 635 1 9 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.860 1.332 17928 636 1 9 . 1 1 11 11 VAL H H 28 7.978 7.978 7.737 0.241 17928 637 1 9 . 1 1 12 12 ALA N N 29 121.460 121.460 122.525 -1.065 17928 638 1 9 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.273 0.591 17928 639 1 9 . 1 1 12 12 ALA H H 29 8.329 8.329 8.004 0.325 17928 640 1 9 . 1 1 13 13 ALA N N 30 118.764 118.764 118.739 0.025 17928 641 1 9 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.507 1.078 17928 642 1 9 . 1 1 13 13 ALA H H 30 8.362 8.362 7.915 0.447 17928 643 1 9 . 1 1 14 14 SER N N 31 114.848 114.848 115.060 -0.212 17928 644 1 9 . 1 1 14 14 SER CA C 31 63.128 63.128 61.335 1.793 17928 645 1 9 . 1 1 14 14 SER H H 31 8.081 8.081 7.886 0.195 17928 646 1 9 . 1 1 15 15 ILE N N 32 122.166 122.166 121.084 1.082 17928 647 1 9 . 1 1 15 15 ILE CA C 32 65.406 65.406 63.613 1.793 17928 648 1 9 . 1 1 15 15 ILE H H 32 8.019 8.019 7.554 0.465 17928 649 1 9 . 1 1 16 16 ILE N N 33 119.855 119.855 118.462 1.393 17928 650 1 9 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.357 1.159 17928 651 1 9 . 1 1 16 16 ILE H H 33 8.157 8.157 7.565 0.592 17928 652 1 9 . 1 1 17 17 GLY N N 34 124.669 124.669 109.259 15.410 17928 653 1 9 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.106 0.778 17928 654 1 9 . 1 1 17 17 GLY H H 34 8.605 8.605 8.177 0.428 17928 655 1 9 . 1 1 18 18 ILE N N 35 122.487 122.487 121.719 0.768 17928 656 1 9 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.439 1.942 17928 657 1 9 . 1 1 18 18 ILE H H 35 8.350 8.350 7.292 1.058 17928 658 1 9 . 1 1 19 19 LEU N N 36 120.690 120.690 121.281 -0.591 17928 659 1 9 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.162 0.572 17928 660 1 9 . 1 1 19 19 LEU H H 36 8.327 8.327 7.383 0.944 17928 661 1 9 . 1 1 20 20 HIS N N 37 118.892 118.892 117.068 1.824 17928 662 1 9 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.995 3.000 17928 663 1 9 . 1 1 20 20 HIS H H 37 8.432 8.432 7.717 0.715 17928 664 1 9 . 1 1 21 21 PHE N N 38 120.754 120.754 121.145 -0.391 17928 665 1 9 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.371 0.284 17928 666 1 9 . 1 1 21 21 PHE H H 38 8.415 8.415 7.236 1.179 17928 667 1 9 . 1 1 22 22 ILE N N 39 122.487 122.487 119.010 3.477 17928 668 1 9 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.539 1.408 17928 669 1 9 . 1 1 22 22 ILE H H 39 8.747 8.747 7.577 1.170 17928 670 1 9 . 1 1 23 23 ALA N N 40 122.808 122.808 122.546 0.262 17928 671 1 9 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.634 1.332 17928 672 1 9 . 1 1 23 23 ALA H H 40 8.346 8.346 7.613 0.733 17928 673 1 9 . 1 1 24 24 TRP N N 41 120.625 120.625 120.455 0.170 17928 674 1 9 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.989 0.316 17928 675 1 9 . 1 1 24 24 TRP H H 41 8.719 8.719 8.501 0.218 17928 676 1 9 . 1 1 25 25 THR N N 42 117.352 117.352 110.911 6.441 17928 677 1 9 . 1 1 25 25 THR CA C 42 67.884 67.884 65.225 2.659 17928 678 1 9 . 1 1 25 25 THR H H 42 8.170 8.170 7.357 0.813 17928 679 1 9 . 1 1 26 26 ILE N N 43 120.946 120.946 122.688 -1.742 17928 680 1 9 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.300 0.851 17928 681 1 9 . 1 1 26 26 ILE H H 43 8.181 8.181 8.419 -0.238 17928 682 1 9 . 1 1 27 27 GLY N N 44 123.707 123.707 107.046 16.661 17928 683 1 9 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.035 0.012 17928 684 1 9 . 1 1 27 27 GLY H H 44 7.902 7.902 8.201 -0.299 17928 685 1 9 . 1 1 28 28 HIS N N 45 120.497 120.497 122.629 -2.132 17928 686 1 9 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.264 1.012 17928 687 1 9 . 1 1 28 28 HIS H H 45 7.578 7.578 7.562 0.016 17928 688 1 9 . 1 1 29 29 LEU N N 46 120.176 120.176 120.007 0.169 17928 689 1 9 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.389 -1.091 17928 690 1 9 . 1 1 29 29 LEU H H 46 7.998 7.998 8.595 -0.597 17928 691 1 9 . 1 1 30 30 ASN N N 47 116.774 116.774 116.306 0.468 17928 692 1 9 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.648 -0.837 17928 693 1 9 . 1 1 30 30 ASN H H 47 8.039 8.039 7.905 0.134 17928 694 1 9 . 1 1 31 31 GLN N N 48 118.571 118.571 118.849 -0.278 17928 695 1 9 . 1 1 31 31 GLN CA C 48 56.841 56.841 57.856 -1.016 17928 696 1 9 . 1 1 31 31 GLN H H 48 7.618 7.618 7.504 0.114 17928 697 1 9 . 1 1 32 32 ILE N N 49 119.919 119.919 119.210 0.709 17928 698 1 9 . 1 1 32 32 ILE CA C 49 62.271 62.271 62.457 -0.186 17928 699 1 9 . 1 1 32 32 ILE H H 49 7.565 7.565 7.584 -0.019 17928 700 1 9 . 1 1 33 33 LYS N N 50 124.477 124.477 119.751 4.726 17928 701 1 9 . 1 1 33 33 LYS CA C 50 56.675 56.675 57.151 -0.476 17928 702 1 9 . 1 1 33 33 LYS H H 50 7.976 7.976 7.918 0.058 17928 703 1 10 . 1 1 7 7 ASP N N 24 125.504 125.504 122.366 3.138 17928 704 1 10 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.900 -0.941 17928 705 1 10 . 1 1 7 7 ASP H H 24 8.265 8.265 8.370 -0.105 17928 706 1 10 . 1 1 9 9 LEU N N 26 118.379 118.379 121.751 -3.372 17928 707 1 10 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.886 0.188 17928 708 1 10 . 1 1 9 9 LEU H H 26 8.246 8.246 7.942 0.304 17928 709 1 10 . 1 1 10 10 VAL N N 27 120.561 120.561 117.906 2.655 17928 710 1 10 . 1 1 10 10 VAL CA C 27 66.481 66.481 64.958 1.523 17928 711 1 10 . 1 1 10 10 VAL H H 27 7.460 7.460 7.624 -0.164 17928 712 1 10 . 1 1 11 11 VAL N N 28 122.487 122.487 119.329 3.158 17928 713 1 10 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.349 1.843 17928 714 1 10 . 1 1 11 11 VAL H H 28 7.978 7.978 7.838 0.140 17928 715 1 10 . 1 1 12 12 ALA N N 29 121.460 121.460 122.900 -1.440 17928 716 1 10 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.282 0.582 17928 717 1 10 . 1 1 12 12 ALA H H 29 8.329 8.329 8.100 0.229 17928 718 1 10 . 1 1 13 13 ALA N N 30 118.764 118.764 118.811 -0.047 17928 719 1 10 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.658 0.927 17928 720 1 10 . 1 1 13 13 ALA H H 30 8.362 8.362 7.910 0.452 17928 721 1 10 . 1 1 14 14 SER N N 31 114.848 114.848 114.778 0.070 17928 722 1 10 . 1 1 14 14 SER CA C 31 63.128 63.128 61.288 1.840 17928 723 1 10 . 1 1 14 14 SER H H 31 8.081 8.081 7.749 0.332 17928 724 1 10 . 1 1 15 15 ILE N N 32 122.166 122.166 119.923 2.243 17928 725 1 10 . 1 1 15 15 ILE CA C 32 65.406 65.406 63.205 2.201 17928 726 1 10 . 1 1 15 15 ILE H H 32 8.019 8.019 7.530 0.489 17928 727 1 10 . 1 1 16 16 ILE N N 33 119.855 119.855 118.434 1.421 17928 728 1 10 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.430 1.085 17928 729 1 10 . 1 1 16 16 ILE H H 33 8.157 8.157 7.490 0.667 17928 730 1 10 . 1 1 17 17 GLY N N 34 124.669 124.669 108.632 16.037 17928 731 1 10 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.008 0.876 17928 732 1 10 . 1 1 17 17 GLY H H 34 8.605 8.605 7.776 0.829 17928 733 1 10 . 1 1 18 18 ILE N N 35 122.487 122.487 121.499 0.988 17928 734 1 10 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.776 1.605 17928 735 1 10 . 1 1 18 18 ILE H H 35 8.350 8.350 7.163 1.187 17928 736 1 10 . 1 1 19 19 LEU N N 36 120.690 120.690 121.384 -0.694 17928 737 1 10 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.117 0.617 17928 738 1 10 . 1 1 19 19 LEU H H 36 8.327 8.327 7.266 1.061 17928 739 1 10 . 1 1 20 20 HIS N N 37 118.892 118.892 116.807 2.085 17928 740 1 10 . 1 1 20 20 HIS CA C 37 60.995 60.995 58.126 2.869 17928 741 1 10 . 1 1 20 20 HIS H H 37 8.432 8.432 7.648 0.784 17928 742 1 10 . 1 1 21 21 PHE N N 38 120.754 120.754 121.244 -0.490 17928 743 1 10 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.480 0.175 17928 744 1 10 . 1 1 21 21 PHE H H 38 8.415 8.415 7.226 1.189 17928 745 1 10 . 1 1 22 22 ILE N N 39 122.487 122.487 116.018 6.469 17928 746 1 10 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.469 1.478 17928 747 1 10 . 1 1 22 22 ILE H H 39 8.747 8.747 7.608 1.139 17928 748 1 10 . 1 1 23 23 ALA N N 40 122.808 122.808 122.783 0.025 17928 749 1 10 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.611 1.355 17928 750 1 10 . 1 1 23 23 ALA H H 40 8.346 8.346 7.617 0.729 17928 751 1 10 . 1 1 24 24 TRP N N 41 120.625 120.625 120.082 0.543 17928 752 1 10 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.871 0.434 17928 753 1 10 . 1 1 24 24 TRP H H 41 8.719 8.719 8.806 -0.087 17928 754 1 10 . 1 1 25 25 THR N N 42 117.352 117.352 111.665 5.687 17928 755 1 10 . 1 1 25 25 THR CA C 42 67.884 67.884 65.575 2.309 17928 756 1 10 . 1 1 25 25 THR H H 42 8.170 8.170 7.472 0.698 17928 757 1 10 . 1 1 26 26 ILE N N 43 120.946 120.946 122.846 -1.900 17928 758 1 10 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.584 0.567 17928 759 1 10 . 1 1 26 26 ILE H H 43 8.181 8.181 8.410 -0.229 17928 760 1 10 . 1 1 27 27 GLY N N 44 123.707 123.707 106.705 17.002 17928 761 1 10 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.030 0.017 17928 762 1 10 . 1 1 27 27 GLY H H 44 7.902 7.902 8.335 -0.433 17928 763 1 10 . 1 1 28 28 HIS N N 45 120.497 120.497 123.185 -2.688 17928 764 1 10 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.315 0.962 17928 765 1 10 . 1 1 28 28 HIS H H 45 7.578 7.578 7.558 0.020 17928 766 1 10 . 1 1 29 29 LEU N N 46 120.176 120.176 118.666 1.510 17928 767 1 10 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.170 -0.872 17928 768 1 10 . 1 1 29 29 LEU H H 46 7.998 7.998 8.198 -0.200 17928 769 1 10 . 1 1 30 30 ASN N N 47 116.774 116.774 116.170 0.604 17928 770 1 10 . 1 1 30 30 ASN CA C 47 54.811 54.811 56.168 -1.357 17928 771 1 10 . 1 1 30 30 ASN H H 47 8.039 8.039 8.186 -0.147 17928 772 1 10 . 1 1 31 31 GLN N N 48 118.571 118.571 119.630 -1.059 17928 773 1 10 . 1 1 31 31 GLN CA C 48 56.841 56.841 58.549 -1.708 17928 774 1 10 . 1 1 31 31 GLN H H 48 7.618 7.618 7.789 -0.171 17928 775 1 10 . 1 1 32 32 ILE N N 49 119.919 119.919 115.481 4.438 17928 776 1 10 . 1 1 32 32 ILE CA C 49 62.271 62.271 62.318 -0.047 17928 777 1 10 . 1 1 32 32 ILE H H 49 7.565 7.565 7.390 0.175 17928 778 1 10 . 1 1 33 33 LYS N N 50 124.477 124.477 119.805 4.672 17928 779 1 10 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.196 0.479 17928 780 1 10 . 1 1 33 33 LYS H H 50 7.976 7.976 7.225 0.751 17928 781 1 11 . 1 1 7 7 ASP N N 24 125.504 125.504 123.294 2.210 17928 782 1 11 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.046 -0.087 17928 783 1 11 . 1 1 7 7 ASP H H 24 8.265 8.265 8.248 0.017 17928 784 1 11 . 1 1 9 9 LEU N N 26 118.379 118.379 122.603 -4.224 17928 785 1 11 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.758 0.316 17928 786 1 11 . 1 1 9 9 LEU H H 26 8.246 8.246 7.994 0.252 17928 787 1 11 . 1 1 10 10 VAL N N 27 120.561 120.561 117.942 2.619 17928 788 1 11 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.481 1.000 17928 789 1 11 . 1 1 10 10 VAL H H 27 7.460 7.460 8.053 -0.593 17928 790 1 11 . 1 1 11 11 VAL N N 28 122.487 122.487 119.278 3.209 17928 791 1 11 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.492 1.700 17928 792 1 11 . 1 1 11 11 VAL H H 28 7.978 7.978 7.704 0.274 17928 793 1 11 . 1 1 12 12 ALA N N 29 121.460 121.460 121.614 -0.154 17928 794 1 11 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.093 0.771 17928 795 1 11 . 1 1 12 12 ALA H H 29 8.329 8.329 7.868 0.461 17928 796 1 11 . 1 1 13 13 ALA N N 30 118.764 118.764 119.160 -0.396 17928 797 1 11 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.554 1.030 17928 798 1 11 . 1 1 13 13 ALA H H 30 8.362 8.362 7.702 0.660 17928 799 1 11 . 1 1 14 14 SER N N 31 114.848 114.848 115.026 -0.178 17928 800 1 11 . 1 1 14 14 SER CA C 31 63.128 63.128 61.320 1.808 17928 801 1 11 . 1 1 14 14 SER H H 31 8.081 8.081 7.852 0.229 17928 802 1 11 . 1 1 15 15 ILE N N 32 122.166 122.166 121.580 0.586 17928 803 1 11 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.344 1.062 17928 804 1 11 . 1 1 15 15 ILE H H 32 8.019 8.019 7.452 0.567 17928 805 1 11 . 1 1 16 16 ILE N N 33 119.855 119.855 118.629 1.226 17928 806 1 11 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.342 1.174 17928 807 1 11 . 1 1 16 16 ILE H H 33 8.157 8.157 7.670 0.487 17928 808 1 11 . 1 1 17 17 GLY N N 34 124.669 124.669 109.083 15.586 17928 809 1 11 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.078 0.806 17928 810 1 11 . 1 1 17 17 GLY H H 34 8.605 8.605 8.109 0.496 17928 811 1 11 . 1 1 18 18 ILE N N 35 122.487 122.487 121.721 0.766 17928 812 1 11 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.492 1.889 17928 813 1 11 . 1 1 18 18 ILE H H 35 8.350 8.350 7.242 1.108 17928 814 1 11 . 1 1 19 19 LEU N N 36 120.690 120.690 121.046 -0.356 17928 815 1 11 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.444 0.290 17928 816 1 11 . 1 1 19 19 LEU H H 36 8.327 8.327 7.410 0.917 17928 817 1 11 . 1 1 20 20 HIS N N 37 118.892 118.892 116.994 1.898 17928 818 1 11 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.946 3.049 17928 819 1 11 . 1 1 20 20 HIS H H 37 8.432 8.432 7.670 0.762 17928 820 1 11 . 1 1 21 21 PHE N N 38 120.754 120.754 121.274 -0.520 17928 821 1 11 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.433 0.222 17928 822 1 11 . 1 1 21 21 PHE H H 38 8.415 8.415 7.241 1.174 17928 823 1 11 . 1 1 22 22 ILE N N 39 122.487 122.487 115.919 6.568 17928 824 1 11 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.595 1.352 17928 825 1 11 . 1 1 22 22 ILE H H 39 8.747 8.747 7.505 1.242 17928 826 1 11 . 1 1 23 23 ALA N N 40 122.808 122.808 122.044 0.764 17928 827 1 11 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.434 1.532 17928 828 1 11 . 1 1 23 23 ALA H H 40 8.346 8.346 7.463 0.883 17928 829 1 11 . 1 1 24 24 TRP N N 41 120.625 120.625 121.081 -0.456 17928 830 1 11 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.794 0.511 17928 831 1 11 . 1 1 24 24 TRP H H 41 8.719 8.719 8.351 0.368 17928 832 1 11 . 1 1 25 25 THR N N 42 117.352 117.352 112.207 5.145 17928 833 1 11 . 1 1 25 25 THR CA C 42 67.884 67.884 65.853 2.031 17928 834 1 11 . 1 1 25 25 THR H H 42 8.170 8.170 7.604 0.566 17928 835 1 11 . 1 1 26 26 ILE N N 43 120.946 120.946 122.936 -1.990 17928 836 1 11 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.533 0.618 17928 837 1 11 . 1 1 26 26 ILE H H 43 8.181 8.181 7.999 0.182 17928 838 1 11 . 1 1 27 27 GLY N N 44 123.707 123.707 106.525 17.182 17928 839 1 11 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.213 -0.166 17928 840 1 11 . 1 1 27 27 GLY H H 44 7.902 7.902 8.015 -0.113 17928 841 1 11 . 1 1 28 28 HIS N N 45 120.497 120.497 123.246 -2.749 17928 842 1 11 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.279 0.998 17928 843 1 11 . 1 1 28 28 HIS H H 45 7.578 7.578 7.575 0.003 17928 844 1 11 . 1 1 29 29 LEU N N 46 120.176 120.176 119.674 0.502 17928 845 1 11 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.102 -0.804 17928 846 1 11 . 1 1 29 29 LEU H H 46 7.998 7.998 8.162 -0.164 17928 847 1 11 . 1 1 30 30 ASN N N 47 116.774 116.774 116.625 0.149 17928 848 1 11 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.949 -1.138 17928 849 1 11 . 1 1 30 30 ASN H H 47 8.039 8.039 8.114 -0.075 17928 850 1 11 . 1 1 31 31 GLN N N 48 118.571 118.571 118.557 0.014 17928 851 1 11 . 1 1 31 31 GLN CA C 48 56.841 56.841 57.749 -0.908 17928 852 1 11 . 1 1 31 31 GLN H H 48 7.618 7.618 7.954 -0.336 17928 853 1 11 . 1 1 32 32 ILE N N 49 119.919 119.919 119.047 0.872 17928 854 1 11 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.568 -1.297 17928 855 1 11 . 1 1 32 32 ILE H H 49 7.565 7.565 7.280 0.285 17928 856 1 11 . 1 1 33 33 LYS N N 50 124.477 124.477 117.575 6.902 17928 857 1 11 . 1 1 33 33 LYS CA C 50 56.675 56.675 57.143 -0.468 17928 858 1 11 . 1 1 33 33 LYS H H 50 7.976 7.976 7.356 0.620 17928 859 1 12 . 1 1 7 7 ASP N N 24 125.504 125.504 122.672 2.832 17928 860 1 12 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.948 -0.989 17928 861 1 12 . 1 1 7 7 ASP H H 24 8.265 8.265 8.181 0.084 17928 862 1 12 . 1 1 9 9 LEU N N 26 118.379 118.379 120.916 -2.537 17928 863 1 12 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.746 0.328 17928 864 1 12 . 1 1 9 9 LEU H H 26 8.246 8.246 7.744 0.502 17928 865 1 12 . 1 1 10 10 VAL N N 27 120.561 120.561 117.901 2.660 17928 866 1 12 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.352 1.129 17928 867 1 12 . 1 1 10 10 VAL H H 27 7.460 7.460 7.649 -0.189 17928 868 1 12 . 1 1 11 11 VAL N N 28 122.487 122.487 120.130 2.357 17928 869 1 12 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.960 1.232 17928 870 1 12 . 1 1 11 11 VAL H H 28 7.978 7.978 8.073 -0.095 17928 871 1 12 . 1 1 12 12 ALA N N 29 121.460 121.460 120.900 0.560 17928 872 1 12 . 1 1 12 12 ALA CA C 29 55.864 55.864 54.813 1.051 17928 873 1 12 . 1 1 12 12 ALA H H 29 8.329 8.329 7.694 0.635 17928 874 1 12 . 1 1 13 13 ALA N N 30 118.764 118.764 119.764 -1.000 17928 875 1 12 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.715 0.870 17928 876 1 12 . 1 1 13 13 ALA H H 30 8.362 8.362 7.656 0.706 17928 877 1 12 . 1 1 14 14 SER N N 31 114.848 114.848 115.424 -0.576 17928 878 1 12 . 1 1 14 14 SER CA C 31 63.128 63.128 61.573 1.555 17928 879 1 12 . 1 1 14 14 SER H H 31 8.081 8.081 7.493 0.588 17928 880 1 12 . 1 1 15 15 ILE N N 32 122.166 122.166 120.994 1.172 17928 881 1 12 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.701 0.705 17928 882 1 12 . 1 1 15 15 ILE H H 32 8.019 8.019 7.464 0.555 17928 883 1 12 . 1 1 16 16 ILE N N 33 119.855 119.855 117.867 1.988 17928 884 1 12 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.168 1.348 17928 885 1 12 . 1 1 16 16 ILE H H 33 8.157 8.157 7.305 0.852 17928 886 1 12 . 1 1 17 17 GLY N N 34 124.669 124.669 109.136 15.533 17928 887 1 12 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.185 0.699 17928 888 1 12 . 1 1 17 17 GLY H H 34 8.605 8.605 7.962 0.643 17928 889 1 12 . 1 1 18 18 ILE N N 35 122.487 122.487 119.232 3.255 17928 890 1 12 . 1 1 18 18 ILE CA C 35 65.381 65.381 62.983 2.398 17928 891 1 12 . 1 1 18 18 ILE H H 35 8.350 8.350 7.471 0.879 17928 892 1 12 . 1 1 19 19 LEU N N 36 120.690 120.690 121.569 -0.879 17928 893 1 12 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.302 0.432 17928 894 1 12 . 1 1 19 19 LEU H H 36 8.327 8.327 7.357 0.970 17928 895 1 12 . 1 1 20 20 HIS N N 37 118.892 118.892 116.967 1.925 17928 896 1 12 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.889 3.106 17928 897 1 12 . 1 1 20 20 HIS H H 37 8.432 8.432 7.697 0.735 17928 898 1 12 . 1 1 21 21 PHE N N 38 120.754 120.754 121.377 -0.623 17928 899 1 12 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.392 0.263 17928 900 1 12 . 1 1 21 21 PHE H H 38 8.415 8.415 7.239 1.176 17928 901 1 12 . 1 1 22 22 ILE N N 39 122.487 122.487 116.089 6.398 17928 902 1 12 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.614 1.333 17928 903 1 12 . 1 1 22 22 ILE H H 39 8.747 8.747 7.617 1.130 17928 904 1 12 . 1 1 23 23 ALA N N 40 122.808 122.808 122.589 0.219 17928 905 1 12 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.298 1.668 17928 906 1 12 . 1 1 23 23 ALA H H 40 8.346 8.346 7.682 0.664 17928 907 1 12 . 1 1 24 24 TRP N N 41 120.625 120.625 121.133 -0.508 17928 908 1 12 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.627 0.678 17928 909 1 12 . 1 1 24 24 TRP H H 41 8.719 8.719 8.163 0.556 17928 910 1 12 . 1 1 25 25 THR N N 42 117.352 117.352 113.223 4.129 17928 911 1 12 . 1 1 25 25 THR CA C 42 67.884 67.884 65.079 2.805 17928 912 1 12 . 1 1 25 25 THR H H 42 8.170 8.170 7.423 0.747 17928 913 1 12 . 1 1 26 26 ILE N N 43 120.946 120.946 122.549 -1.603 17928 914 1 12 . 1 1 26 26 ILE CA C 43 65.151 65.151 63.685 1.466 17928 915 1 12 . 1 1 26 26 ILE H H 43 8.181 8.181 8.105 0.076 17928 916 1 12 . 1 1 27 27 GLY N N 44 123.707 123.707 106.725 16.982 17928 917 1 12 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.207 -0.160 17928 918 1 12 . 1 1 27 27 GLY H H 44 7.902 7.902 8.179 -0.277 17928 919 1 12 . 1 1 28 28 HIS N N 45 120.497 120.497 123.394 -2.897 17928 920 1 12 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.814 0.463 17928 921 1 12 . 1 1 28 28 HIS H H 45 7.578 7.578 7.740 -0.162 17928 922 1 12 . 1 1 29 29 LEU N N 46 120.176 120.176 118.946 1.230 17928 923 1 12 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.067 -0.769 17928 924 1 12 . 1 1 29 29 LEU H H 46 7.998 7.998 8.369 -0.371 17928 925 1 12 . 1 1 30 30 ASN N N 47 116.774 116.774 116.901 -0.127 17928 926 1 12 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.827 -1.016 17928 927 1 12 . 1 1 30 30 ASN H H 47 8.039 8.039 8.162 -0.123 17928 928 1 12 . 1 1 31 31 GLN N N 48 118.571 118.571 118.020 0.551 17928 929 1 12 . 1 1 31 31 GLN CA C 48 56.841 56.841 54.285 2.556 17928 930 1 12 . 1 1 31 31 GLN H H 48 7.618 7.618 7.585 0.033 17928 931 1 12 . 1 1 32 32 ILE N N 49 119.919 119.919 117.560 2.359 17928 932 1 12 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.099 -0.828 17928 933 1 12 . 1 1 32 32 ILE H H 49 7.565 7.565 7.455 0.110 17928 934 1 12 . 1 1 33 33 LYS N N 50 124.477 124.477 115.772 8.705 17928 935 1 12 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.156 0.519 17928 936 1 12 . 1 1 33 33 LYS H H 50 7.976 7.976 7.974 0.002 17928 937 1 13 . 1 1 7 7 ASP N N 24 125.504 125.504 121.943 3.561 17928 938 1 13 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.824 -0.865 17928 939 1 13 . 1 1 7 7 ASP H H 24 8.265 8.265 8.121 0.144 17928 940 1 13 . 1 1 9 9 LEU N N 26 118.379 118.379 122.289 -3.910 17928 941 1 13 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.642 0.432 17928 942 1 13 . 1 1 9 9 LEU H H 26 8.246 8.246 7.825 0.421 17928 943 1 13 . 1 1 10 10 VAL N N 27 120.561 120.561 118.467 2.094 17928 944 1 13 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.117 1.364 17928 945 1 13 . 1 1 10 10 VAL H H 27 7.460 7.460 7.538 -0.078 17928 946 1 13 . 1 1 11 11 VAL N N 28 122.487 122.487 119.336 3.151 17928 947 1 13 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.479 1.713 17928 948 1 13 . 1 1 11 11 VAL H H 28 7.978 7.978 7.993 -0.015 17928 949 1 13 . 1 1 12 12 ALA N N 29 121.460 121.460 121.457 0.003 17928 950 1 13 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.172 0.692 17928 951 1 13 . 1 1 12 12 ALA H H 29 8.329 8.329 7.775 0.554 17928 952 1 13 . 1 1 13 13 ALA N N 30 118.764 118.764 119.007 -0.243 17928 953 1 13 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.631 0.954 17928 954 1 13 . 1 1 13 13 ALA H H 30 8.362 8.362 7.587 0.775 17928 955 1 13 . 1 1 14 14 SER N N 31 114.848 114.848 115.196 -0.348 17928 956 1 13 . 1 1 14 14 SER CA C 31 63.128 63.128 61.067 2.061 17928 957 1 13 . 1 1 14 14 SER H H 31 8.081 8.081 7.682 0.399 17928 958 1 13 . 1 1 15 15 ILE N N 32 122.166 122.166 121.601 0.565 17928 959 1 13 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.970 0.436 17928 960 1 13 . 1 1 15 15 ILE H H 32 8.019 8.019 7.520 0.499 17928 961 1 13 . 1 1 16 16 ILE N N 33 119.855 119.855 118.233 1.622 17928 962 1 13 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.083 1.433 17928 963 1 13 . 1 1 16 16 ILE H H 33 8.157 8.157 7.456 0.701 17928 964 1 13 . 1 1 17 17 GLY N N 34 124.669 124.669 108.996 15.673 17928 965 1 13 . 1 1 17 17 GLY CA C 34 47.884 47.884 46.895 0.989 17928 966 1 13 . 1 1 17 17 GLY H H 34 8.605 8.605 8.022 0.583 17928 967 1 13 . 1 1 18 18 ILE N N 35 122.487 122.487 121.964 0.523 17928 968 1 13 . 1 1 18 18 ILE CA C 35 65.381 65.381 64.000 1.381 17928 969 1 13 . 1 1 18 18 ILE H H 35 8.350 8.350 7.298 1.052 17928 970 1 13 . 1 1 19 19 LEU N N 36 120.690 120.690 120.565 0.125 17928 971 1 13 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.209 0.525 17928 972 1 13 . 1 1 19 19 LEU H H 36 8.327 8.327 7.370 0.957 17928 973 1 13 . 1 1 20 20 HIS N N 37 118.892 118.892 116.689 2.203 17928 974 1 13 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.850 3.144 17928 975 1 13 . 1 1 20 20 HIS H H 37 8.432 8.432 7.638 0.794 17928 976 1 13 . 1 1 21 21 PHE N N 38 120.754 120.754 121.180 -0.426 17928 977 1 13 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.471 0.184 17928 978 1 13 . 1 1 21 21 PHE H H 38 8.415 8.415 7.351 1.064 17928 979 1 13 . 1 1 22 22 ILE N N 39 122.487 122.487 119.165 3.322 17928 980 1 13 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.668 1.279 17928 981 1 13 . 1 1 22 22 ILE H H 39 8.747 8.747 7.602 1.145 17928 982 1 13 . 1 1 23 23 ALA N N 40 122.808 122.808 121.517 1.291 17928 983 1 13 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.290 1.676 17928 984 1 13 . 1 1 23 23 ALA H H 40 8.346 8.346 7.620 0.727 17928 985 1 13 . 1 1 24 24 TRP N N 41 120.625 120.625 121.105 -0.480 17928 986 1 13 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.328 0.978 17928 987 1 13 . 1 1 24 24 TRP H H 41 8.719 8.719 8.122 0.597 17928 988 1 13 . 1 1 25 25 THR N N 42 117.352 117.352 113.213 4.139 17928 989 1 13 . 1 1 25 25 THR CA C 42 67.884 67.884 65.791 2.093 17928 990 1 13 . 1 1 25 25 THR H H 42 8.170 8.170 7.340 0.830 17928 991 1 13 . 1 1 26 26 ILE N N 43 120.946 120.946 122.045 -1.099 17928 992 1 13 . 1 1 26 26 ILE CA C 43 65.151 65.151 65.014 0.137 17928 993 1 13 . 1 1 26 26 ILE H H 43 8.181 8.181 7.548 0.633 17928 994 1 13 . 1 1 27 27 GLY N N 44 123.707 123.707 107.134 16.573 17928 995 1 13 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.175 -0.128 17928 996 1 13 . 1 1 27 27 GLY H H 44 7.902 7.902 7.718 0.184 17928 997 1 13 . 1 1 28 28 HIS N N 45 120.497 120.497 121.914 -1.417 17928 998 1 13 . 1 1 28 28 HIS CA C 45 59.277 59.277 57.758 1.519 17928 999 1 13 . 1 1 28 28 HIS H H 45 7.578 7.578 7.283 0.295 17928 1000 1 13 . 1 1 29 29 LEU N N 46 120.176 120.176 120.299 -0.123 17928 1001 1 13 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.478 -1.181 17928 1002 1 13 . 1 1 29 29 LEU H H 46 7.998 7.998 8.627 -0.629 17928 1003 1 13 . 1 1 30 30 ASN N N 47 116.774 116.774 116.648 0.126 17928 1004 1 13 . 1 1 30 30 ASN CA C 47 54.811 54.811 56.428 -1.617 17928 1005 1 13 . 1 1 30 30 ASN H H 47 8.039 8.039 8.009 0.030 17928 1006 1 13 . 1 1 31 31 GLN N N 48 118.571 118.571 118.076 0.495 17928 1007 1 13 . 1 1 31 31 GLN CA C 48 56.841 56.841 58.225 -1.384 17928 1008 1 13 . 1 1 31 31 GLN H H 48 7.618 7.618 7.754 -0.136 17928 1009 1 13 . 1 1 32 32 ILE N N 49 119.919 119.919 117.527 2.392 17928 1010 1 13 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.917 -1.647 17928 1011 1 13 . 1 1 32 32 ILE H H 49 7.565 7.565 7.892 -0.327 17928 1012 1 13 . 1 1 33 33 LYS N N 50 124.477 124.477 121.033 3.444 17928 1013 1 13 . 1 1 33 33 LYS CA C 50 56.675 56.675 57.902 -1.227 17928 1014 1 13 . 1 1 33 33 LYS H H 50 7.976 7.976 8.000 -0.024 17928 1015 1 14 . 1 1 7 7 ASP N N 24 125.504 125.504 122.737 2.767 17928 1016 1 14 . 1 1 7 7 ASP CA C 24 52.959 52.959 54.096 -1.137 17928 1017 1 14 . 1 1 7 7 ASP H H 24 8.265 8.265 8.364 -0.099 17928 1018 1 14 . 1 1 9 9 LEU N N 26 118.379 118.379 121.335 -2.956 17928 1019 1 14 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.937 0.138 17928 1020 1 14 . 1 1 9 9 LEU H H 26 8.246 8.246 7.954 0.292 17928 1021 1 14 . 1 1 10 10 VAL N N 27 120.561 120.561 117.771 2.790 17928 1022 1 14 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.120 1.361 17928 1023 1 14 . 1 1 10 10 VAL H H 27 7.460 7.460 7.584 -0.124 17928 1024 1 14 . 1 1 11 11 VAL N N 28 122.487 122.487 119.767 2.720 17928 1025 1 14 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.964 1.228 17928 1026 1 14 . 1 1 11 11 VAL H H 28 7.978 7.978 7.610 0.368 17928 1027 1 14 . 1 1 12 12 ALA N N 29 121.460 121.460 121.593 -0.133 17928 1028 1 14 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.287 0.577 17928 1029 1 14 . 1 1 12 12 ALA H H 29 8.329 8.329 8.121 0.208 17928 1030 1 14 . 1 1 13 13 ALA N N 30 118.764 118.764 118.912 -0.148 17928 1031 1 14 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.622 0.963 17928 1032 1 14 . 1 1 13 13 ALA H H 30 8.362 8.362 7.750 0.612 17928 1033 1 14 . 1 1 14 14 SER N N 31 114.848 114.848 115.287 -0.439 17928 1034 1 14 . 1 1 14 14 SER CA C 31 63.128 63.128 61.415 1.713 17928 1035 1 14 . 1 1 14 14 SER H H 31 8.081 8.081 7.712 0.369 17928 1036 1 14 . 1 1 15 15 ILE N N 32 122.166 122.166 118.546 3.620 17928 1037 1 14 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.438 0.968 17928 1038 1 14 . 1 1 15 15 ILE H H 32 8.019 8.019 7.535 0.484 17928 1039 1 14 . 1 1 16 16 ILE N N 33 119.855 119.855 119.334 0.521 17928 1040 1 14 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.033 1.483 17928 1041 1 14 . 1 1 16 16 ILE H H 33 8.157 8.157 7.194 0.963 17928 1042 1 14 . 1 1 17 17 GLY N N 34 124.669 124.669 108.613 16.056 17928 1043 1 14 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.421 0.463 17928 1044 1 14 . 1 1 17 17 GLY H H 34 8.605 8.605 8.408 0.197 17928 1045 1 14 . 1 1 18 18 ILE N N 35 122.487 122.487 121.840 0.647 17928 1046 1 14 . 1 1 18 18 ILE CA C 35 65.381 65.381 61.892 3.489 17928 1047 1 14 . 1 1 18 18 ILE H H 35 8.350 8.350 7.235 1.115 17928 1048 1 14 . 1 1 19 19 LEU N N 36 120.690 120.690 121.235 -0.545 17928 1049 1 14 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.148 0.586 17928 1050 1 14 . 1 1 19 19 LEU H H 36 8.327 8.327 7.335 0.992 17928 1051 1 14 . 1 1 20 20 HIS N N 37 118.892 118.892 116.828 2.064 17928 1052 1 14 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.907 3.088 17928 1053 1 14 . 1 1 20 20 HIS H H 37 8.432 8.432 7.731 0.701 17928 1054 1 14 . 1 1 21 21 PHE N N 38 120.754 120.754 120.718 0.036 17928 1055 1 14 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.683 -0.028 17928 1056 1 14 . 1 1 21 21 PHE H H 38 8.415 8.415 7.409 1.006 17928 1057 1 14 . 1 1 22 22 ILE N N 39 122.487 122.487 117.250 5.237 17928 1058 1 14 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.163 1.784 17928 1059 1 14 . 1 1 22 22 ILE H H 39 8.747 8.747 7.621 1.126 17928 1060 1 14 . 1 1 23 23 ALA N N 40 122.808 122.808 122.672 0.136 17928 1061 1 14 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.377 1.589 17928 1062 1 14 . 1 1 23 23 ALA H H 40 8.346 8.346 7.638 0.708 17928 1063 1 14 . 1 1 24 24 TRP N N 41 120.625 120.625 120.426 0.199 17928 1064 1 14 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.719 0.585 17928 1065 1 14 . 1 1 24 24 TRP H H 41 8.719 8.719 8.717 0.002 17928 1066 1 14 . 1 1 25 25 THR N N 42 117.352 117.352 115.551 1.801 17928 1067 1 14 . 1 1 25 25 THR CA C 42 67.884 67.884 65.527 2.357 17928 1068 1 14 . 1 1 25 25 THR H H 42 8.170 8.170 7.535 0.635 17928 1069 1 14 . 1 1 26 26 ILE N N 43 120.946 120.946 121.051 -0.105 17928 1070 1 14 . 1 1 26 26 ILE CA C 43 65.151 65.151 64.894 0.257 17928 1071 1 14 . 1 1 26 26 ILE H H 43 8.181 8.181 8.514 -0.333 17928 1072 1 14 . 1 1 27 27 GLY N N 44 123.707 123.707 107.126 16.581 17928 1073 1 14 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.094 -0.047 17928 1074 1 14 . 1 1 27 27 GLY H H 44 7.902 7.902 7.938 -0.036 17928 1075 1 14 . 1 1 28 28 HIS N N 45 120.497 120.497 121.664 -1.167 17928 1076 1 14 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.135 1.142 17928 1077 1 14 . 1 1 28 28 HIS H H 45 7.578 7.578 7.638 -0.060 17928 1078 1 14 . 1 1 29 29 LEU N N 46 120.176 120.176 118.294 1.882 17928 1079 1 14 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.004 -0.706 17928 1080 1 14 . 1 1 29 29 LEU H H 46 7.998 7.998 8.509 -0.511 17928 1081 1 14 . 1 1 30 30 ASN N N 47 116.774 116.774 115.368 1.406 17928 1082 1 14 . 1 1 30 30 ASN CA C 47 54.811 54.811 54.906 -0.095 17928 1083 1 14 . 1 1 30 30 ASN H H 47 8.039 8.039 7.698 0.341 17928 1084 1 14 . 1 1 31 31 GLN N N 48 118.571 118.571 120.031 -1.460 17928 1085 1 14 . 1 1 31 31 GLN CA C 48 56.841 56.841 55.072 1.769 17928 1086 1 14 . 1 1 31 31 GLN H H 48 7.618 7.618 7.668 -0.050 17928 1087 1 14 . 1 1 32 32 ILE N N 49 119.919 119.919 118.891 1.028 17928 1088 1 14 . 1 1 32 32 ILE CA C 49 62.271 62.271 58.896 3.375 17928 1089 1 14 . 1 1 32 32 ILE H H 49 7.565 7.565 7.634 -0.069 17928 1090 1 14 . 1 1 33 33 LYS N N 50 124.477 124.477 120.204 4.273 17928 1091 1 14 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.399 0.276 17928 1092 1 14 . 1 1 33 33 LYS H H 50 7.976 7.976 8.252 -0.276 17928 1093 1 15 . 1 1 7 7 ASP N N 24 125.504 125.504 124.241 1.263 17928 1094 1 15 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.773 -0.814 17928 1095 1 15 . 1 1 7 7 ASP H H 24 8.265 8.265 8.420 -0.155 17928 1096 1 15 . 1 1 9 9 LEU N N 26 118.379 118.379 121.513 -3.134 17928 1097 1 15 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.851 0.223 17928 1098 1 15 . 1 1 9 9 LEU H H 26 8.246 8.246 7.267 0.979 17928 1099 1 15 . 1 1 10 10 VAL N N 27 120.561 120.561 118.867 1.694 17928 1100 1 15 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.453 1.028 17928 1101 1 15 . 1 1 10 10 VAL H H 27 7.460 7.460 7.562 -0.102 17928 1102 1 15 . 1 1 11 11 VAL N N 28 122.487 122.487 119.331 3.156 17928 1103 1 15 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.718 1.474 17928 1104 1 15 . 1 1 11 11 VAL H H 28 7.978 7.978 7.948 0.030 17928 1105 1 15 . 1 1 12 12 ALA N N 29 121.460 121.460 120.882 0.578 17928 1106 1 15 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.127 0.737 17928 1107 1 15 . 1 1 12 12 ALA H H 29 8.329 8.329 7.829 0.500 17928 1108 1 15 . 1 1 13 13 ALA N N 30 118.764 118.764 119.330 -0.566 17928 1109 1 15 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.684 0.901 17928 1110 1 15 . 1 1 13 13 ALA H H 30 8.362 8.362 7.588 0.774 17928 1111 1 15 . 1 1 14 14 SER N N 31 114.848 114.848 114.833 0.015 17928 1112 1 15 . 1 1 14 14 SER CA C 31 63.128 63.128 61.627 1.501 17928 1113 1 15 . 1 1 14 14 SER H H 31 8.081 8.081 7.767 0.314 17928 1114 1 15 . 1 1 15 15 ILE N N 32 122.166 122.166 120.610 1.556 17928 1115 1 15 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.603 0.803 17928 1116 1 15 . 1 1 15 15 ILE H H 32 8.019 8.019 7.581 0.438 17928 1117 1 15 . 1 1 16 16 ILE N N 33 119.855 119.855 118.114 1.741 17928 1118 1 15 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.269 1.247 17928 1119 1 15 . 1 1 16 16 ILE H H 33 8.157 8.157 7.458 0.699 17928 1120 1 15 . 1 1 17 17 GLY N N 34 124.669 124.669 109.159 15.510 17928 1121 1 15 . 1 1 17 17 GLY CA C 34 47.884 47.884 46.925 0.959 17928 1122 1 15 . 1 1 17 17 GLY H H 34 8.605 8.605 7.742 0.863 17928 1123 1 15 . 1 1 18 18 ILE N N 35 122.487 122.487 122.134 0.353 17928 1124 1 15 . 1 1 18 18 ILE CA C 35 65.381 65.381 64.073 1.308 17928 1125 1 15 . 1 1 18 18 ILE H H 35 8.350 8.350 7.646 0.704 17928 1126 1 15 . 1 1 19 19 LEU N N 36 120.690 120.690 121.321 -0.631 17928 1127 1 15 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.010 0.724 17928 1128 1 15 . 1 1 19 19 LEU H H 36 8.327 8.327 7.439 0.888 17928 1129 1 15 . 1 1 20 20 HIS N N 37 118.892 118.892 117.059 1.833 17928 1130 1 15 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.939 3.056 17928 1131 1 15 . 1 1 20 20 HIS H H 37 8.432 8.432 7.728 0.704 17928 1132 1 15 . 1 1 21 21 PHE N N 38 120.754 120.754 121.154 -0.400 17928 1133 1 15 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.463 0.192 17928 1134 1 15 . 1 1 21 21 PHE H H 38 8.415 8.415 7.204 1.211 17928 1135 1 15 . 1 1 22 22 ILE N N 39 122.487 122.487 119.141 3.346 17928 1136 1 15 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.634 1.313 17928 1137 1 15 . 1 1 22 22 ILE H H 39 8.747 8.747 7.570 1.177 17928 1138 1 15 . 1 1 23 23 ALA N N 40 122.808 122.808 121.562 1.246 17928 1139 1 15 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.347 1.619 17928 1140 1 15 . 1 1 23 23 ALA H H 40 8.346 8.346 7.611 0.735 17928 1141 1 15 . 1 1 24 24 TRP N N 41 120.625 120.625 121.149 -0.524 17928 1142 1 15 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.529 0.776 17928 1143 1 15 . 1 1 24 24 TRP H H 41 8.719 8.719 8.390 0.329 17928 1144 1 15 . 1 1 25 25 THR N N 42 117.352 117.352 114.124 3.228 17928 1145 1 15 . 1 1 25 25 THR CA C 42 67.884 67.884 65.057 2.827 17928 1146 1 15 . 1 1 25 25 THR H H 42 8.170 8.170 7.456 0.714 17928 1147 1 15 . 1 1 26 26 ILE N N 43 120.946 120.946 121.209 -0.263 17928 1148 1 15 . 1 1 26 26 ILE CA C 43 65.151 65.151 63.190 1.961 17928 1149 1 15 . 1 1 26 26 ILE H H 43 8.181 8.181 8.145 0.036 17928 1150 1 15 . 1 1 27 27 GLY N N 44 123.707 123.707 107.087 16.620 17928 1151 1 15 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.121 -0.074 17928 1152 1 15 . 1 1 27 27 GLY H H 44 7.902 7.902 8.204 -0.302 17928 1153 1 15 . 1 1 28 28 HIS N N 45 120.497 120.497 122.807 -2.310 17928 1154 1 15 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.383 0.894 17928 1155 1 15 . 1 1 28 28 HIS H H 45 7.578 7.578 7.492 0.086 17928 1156 1 15 . 1 1 29 29 LEU N N 46 120.176 120.176 119.028 1.148 17928 1157 1 15 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.347 -1.049 17928 1158 1 15 . 1 1 29 29 LEU H H 46 7.998 7.998 8.422 -0.424 17928 1159 1 15 . 1 1 30 30 ASN N N 47 116.774 116.774 116.345 0.429 17928 1160 1 15 . 1 1 30 30 ASN CA C 47 54.811 54.811 56.319 -1.508 17928 1161 1 15 . 1 1 30 30 ASN H H 47 8.039 8.039 7.815 0.224 17928 1162 1 15 . 1 1 31 31 GLN N N 48 118.571 118.571 118.186 0.385 17928 1163 1 15 . 1 1 31 31 GLN CA C 48 56.841 56.841 58.038 -1.197 17928 1164 1 15 . 1 1 31 31 GLN H H 48 7.618 7.618 7.588 0.030 17928 1165 1 15 . 1 1 32 32 ILE N N 49 119.919 119.919 112.749 7.170 17928 1166 1 15 . 1 1 32 32 ILE CA C 49 62.271 62.271 63.082 -0.811 17928 1167 1 15 . 1 1 32 32 ILE H H 49 7.565 7.565 7.407 0.158 17928 1168 1 15 . 1 1 33 33 LYS N N 50 124.477 124.477 117.375 7.102 17928 1169 1 15 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.002 0.673 17928 1170 1 15 . 1 1 33 33 LYS H H 50 7.976 7.976 7.424 0.552 17928 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 26 5.139 -2.203 4.735 17928 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17928 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17928 4 1 1 "Average Difference" CA 26 1.350 -0.690 1.183 17928 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17928 6 1 1 "Average Difference" HN 26 0.587 -0.416 0.422 17928 7 1 2 "Average Difference" N 26 5.049 -2.187 4.640 17928 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17928 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17928 10 1 2 "Average Difference" CA 26 1.422 -0.550 1.337 17928 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17928 12 1 2 "Average Difference" HN 26 0.598 -0.390 0.462 17928 13 1 3 "Average Difference" N 26 5.100 -2.152 4.716 17928 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17928 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17928 16 1 3 "Average Difference" CA 26 1.476 -0.720 1.313 17928 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17928 18 1 3 "Average Difference" HN 26 0.552 -0.322 0.457 17928 19 1 4 "Average Difference" N 26 5.048 -2.151 4.658 17928 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17928 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17928 22 1 4 "Average Difference" CA 26 1.321 -0.817 1.058 17928 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17928 24 1 4 "Average Difference" HN 26 0.639 -0.424 0.488 17928 25 1 5 "Average Difference" N 26 5.286 -2.488 4.756 17928 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17928 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17928 28 1 5 "Average Difference" CA 26 1.193 -0.766 0.932 17928 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17928 30 1 5 "Average Difference" HN 26 0.573 -0.330 0.478 17928 31 1 6 "Average Difference" N 26 5.002 -2.106 4.627 17928 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17928 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17928 34 1 6 "Average Difference" CA 26 1.284 -0.925 0.909 17928 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17928 36 1 6 "Average Difference" HN 26 0.590 -0.350 0.485 17928 37 1 7 "Average Difference" N 26 5.090 -2.308 4.626 17928 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17928 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17928 40 1 7 "Average Difference" CA 26 1.369 -0.763 1.159 17928 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17928 42 1 7 "Average Difference" HN 26 0.606 -0.340 0.512 17928 43 1 8 "Average Difference" N 26 4.976 -1.952 4.668 17928 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17928 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17928 46 1 8 "Average Difference" CA 26 1.529 -0.932 1.236 17928 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17928 48 1 8 "Average Difference" HN 26 0.573 -0.332 0.476 17928 49 1 9 "Average Difference" N 26 4.963 -2.002 4.631 17928 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17928 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17928 52 1 9 "Average Difference" CA 26 1.299 -0.721 1.102 17928 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17928 54 1 9 "Average Difference" HN 26 0.568 -0.332 0.470 17928 55 1 10 "Average Difference" N 26 5.300 -2.348 4.845 17928 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17928 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17928 58 1 10 "Average Difference" CA 26 1.327 -0.731 1.129 17928 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17928 60 1 10 "Average Difference" HN 26 0.611 -0.371 0.495 17928 61 1 11 "Average Difference" N 26 5.245 -2.122 4.892 17928 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17928 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17928 64 1 11 "Average Difference" CA 26 1.236 -0.665 1.062 17928 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17928 66 1 11 "Average Difference" HN 26 0.603 -0.395 0.465 17928 67 1 12 "Average Difference" N 26 5.305 -2.389 4.830 17928 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17928 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17928 70 1 12 "Average Difference" CA 26 1.401 -0.879 1.112 17928 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17928 72 1 12 "Average Difference" HN 26 0.604 -0.401 0.461 17928 73 1 13 "Average Difference" N 26 4.892 -2.048 4.530 17928 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17928 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17928 76 1 13 "Average Difference" CA 26 1.372 -0.575 1.271 17928 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17928 78 1 13 "Average Difference" HN 26 0.622 -0.430 0.459 17928 79 1 14 "Average Difference" N 26 4.969 -2.185 4.551 17928 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17928 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17928 82 1 14 "Average Difference" CA 26 1.549 -1.045 1.165 17928 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17928 84 1 14 "Average Difference" HN 26 0.571 -0.329 0.476 17928 85 1 15 "Average Difference" N 26 5.127 -2.329 4.658 17928 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 17928 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17928 88 1 15 "Average Difference" CA 26 1.327 -0.722 1.136 17928 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17928 90 1 15 "Average Difference" HN 26 0.614 -0.429 0.448 17928 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 17928 _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 7 7 ASP N N 24 125.504 125.504 122.702 2.802 17928 2 1 . 1 1 7 7 ASP CA C 24 52.959 52.959 53.819 -0.860 17928 3 1 . 1 1 7 7 ASP H H 24 8.265 8.265 8.305 -0.040 17928 4 1 . 1 1 9 9 LEU N N 26 118.379 118.379 121.758 -3.379 17928 5 1 . 1 1 9 9 LEU CA C 26 58.074 58.074 57.859 0.215 17928 6 1 . 1 1 9 9 LEU H H 26 8.246 8.246 7.851 0.395 17928 7 1 . 1 1 10 10 VAL N N 27 120.561 120.561 118.091 2.470 17928 8 1 . 1 1 10 10 VAL CA C 27 66.481 66.481 65.255 1.226 17928 9 1 . 1 1 10 10 VAL H H 27 7.460 7.460 7.617 -0.157 17928 10 1 . 1 1 11 11 VAL N N 28 122.487 122.487 119.577 2.910 17928 11 1 . 1 1 11 11 VAL CA C 28 67.192 67.192 65.713 1.479 17928 12 1 . 1 1 11 11 VAL H H 28 7.978 7.978 7.852 0.126 17928 13 1 . 1 1 12 12 ALA N N 29 121.460 121.460 121.850 -0.390 17928 14 1 . 1 1 12 12 ALA CA C 29 55.864 55.864 55.153 0.711 17928 15 1 . 1 1 12 12 ALA H H 29 8.329 8.329 7.970 0.359 17928 16 1 . 1 1 13 13 ALA N N 30 118.764 118.764 119.096 -0.332 17928 17 1 . 1 1 13 13 ALA CA C 30 55.585 55.585 54.602 0.983 17928 18 1 . 1 1 13 13 ALA H H 30 8.362 8.362 7.730 0.632 17928 19 1 . 1 1 14 14 SER N N 31 114.848 114.848 115.001 -0.153 17928 20 1 . 1 1 14 14 SER CA C 31 63.128 63.128 61.373 1.755 17928 21 1 . 1 1 14 14 SER H H 31 8.081 8.081 7.767 0.314 17928 22 1 . 1 1 15 15 ILE N N 32 122.166 122.166 120.727 1.439 17928 23 1 . 1 1 15 15 ILE CA C 32 65.406 65.406 64.271 1.135 17928 24 1 . 1 1 15 15 ILE H H 32 8.019 8.019 7.515 0.504 17928 25 1 . 1 1 16 16 ILE N N 33 119.855 119.855 118.495 1.360 17928 26 1 . 1 1 16 16 ILE CA C 33 65.516 65.516 64.278 1.238 17928 27 1 . 1 1 16 16 ILE H H 33 8.157 8.157 7.462 0.695 17928 28 1 . 1 1 17 17 GLY N N 34 124.669 124.669 109.025 15.644 17928 29 1 . 1 1 17 17 GLY CA C 34 47.884 47.884 47.071 0.813 17928 30 1 . 1 1 17 17 GLY H H 34 8.605 8.605 8.016 0.589 17928 31 1 . 1 1 18 18 ILE N N 35 122.487 122.487 121.587 0.900 17928 32 1 . 1 1 18 18 ILE CA C 35 65.381 65.381 63.423 1.958 17928 33 1 . 1 1 18 18 ILE H H 35 8.350 8.350 7.302 1.048 17928 34 1 . 1 1 19 19 LEU N N 36 120.690 120.690 121.076 -0.386 17928 35 1 . 1 1 19 19 LEU CA C 36 58.734 58.734 58.180 0.554 17928 36 1 . 1 1 19 19 LEU H H 36 8.327 8.327 7.349 0.978 17928 37 1 . 1 1 20 20 HIS N N 37 118.892 118.892 116.970 1.922 17928 38 1 . 1 1 20 20 HIS CA C 37 60.995 60.995 57.942 3.053 17928 39 1 . 1 1 20 20 HIS H H 37 8.432 8.432 7.691 0.741 17928 40 1 . 1 1 21 21 PHE N N 38 120.754 120.754 120.946 -0.192 17928 41 1 . 1 1 21 21 PHE CA C 38 61.655 61.655 61.484 0.171 17928 42 1 . 1 1 21 21 PHE H H 38 8.415 8.415 7.304 1.111 17928 43 1 . 1 1 22 22 ILE N N 39 122.487 122.487 118.478 4.009 17928 44 1 . 1 1 22 22 ILE CA C 39 65.947 65.947 64.415 1.532 17928 45 1 . 1 1 22 22 ILE H H 39 8.747 8.747 7.663 1.084 17928 46 1 . 1 1 23 23 ALA N N 40 122.808 122.808 122.111 0.697 17928 47 1 . 1 1 23 23 ALA CA C 40 55.966 55.966 54.565 1.401 17928 48 1 . 1 1 23 23 ALA H H 40 8.346 8.346 7.617 0.729 17928 49 1 . 1 1 24 24 TRP N N 41 120.625 120.625 120.648 -0.023 17928 50 1 . 1 1 24 24 TRP CA C 41 61.305 61.305 60.794 0.511 17928 51 1 . 1 1 24 24 TRP H H 41 8.719 8.719 8.434 0.285 17928 52 1 . 1 1 25 25 THR N N 42 117.352 117.352 112.215 5.137 17928 53 1 . 1 1 25 25 THR CA C 42 67.884 67.884 65.431 2.453 17928 54 1 . 1 1 25 25 THR H H 42 8.170 8.170 7.449 0.721 17928 55 1 . 1 1 26 26 ILE N N 43 120.946 120.946 122.318 -1.372 17928 56 1 . 1 1 26 26 ILE CA C 43 65.151 65.151 63.913 1.239 17928 57 1 . 1 1 26 26 ILE H H 43 8.181 8.181 8.213 -0.032 17928 58 1 . 1 1 27 27 GLY N N 44 123.707 123.707 106.941 16.766 17928 59 1 . 1 1 27 27 GLY CA C 44 47.047 47.047 47.169 -0.122 17928 60 1 . 1 1 27 27 GLY H H 44 7.902 7.902 8.067 -0.165 17928 61 1 . 1 1 28 28 HIS N N 45 120.497 120.497 122.801 -2.304 17928 62 1 . 1 1 28 28 HIS CA C 45 59.277 59.277 58.290 0.986 17928 63 1 . 1 1 28 28 HIS H H 45 7.578 7.578 7.559 0.019 17928 64 1 . 1 1 29 29 LEU N N 46 120.176 120.176 119.177 0.999 17928 65 1 . 1 1 29 29 LEU CA C 46 57.298 57.298 58.142 -0.844 17928 66 1 . 1 1 29 29 LEU H H 46 7.998 7.998 8.375 -0.377 17928 67 1 . 1 1 30 30 ASN N N 47 116.774 116.774 116.435 0.339 17928 68 1 . 1 1 30 30 ASN CA C 47 54.811 54.811 55.844 -1.033 17928 69 1 . 1 1 30 30 ASN H H 47 8.039 8.039 7.952 0.087 17928 70 1 . 1 1 31 31 GLN N N 48 118.571 118.571 118.741 -0.170 17928 71 1 . 1 1 31 31 GLN CA C 48 56.841 56.841 56.842 -0.001 17928 72 1 . 1 1 31 31 GLN H H 48 7.618 7.618 7.660 -0.042 17928 73 1 . 1 1 32 32 ILE N N 49 119.919 119.919 116.730 3.189 17928 74 1 . 1 1 32 32 ILE CA C 49 62.271 62.271 62.672 -0.401 17928 75 1 . 1 1 32 32 ILE H H 49 7.565 7.565 7.690 -0.125 17928 76 1 . 1 1 33 33 LYS N N 50 124.477 124.477 119.214 5.263 17928 77 1 . 1 1 33 33 LYS CA C 50 56.675 56.675 56.890 -0.215 17928 78 1 . 1 1 33 33 LYS H H 50 7.976 7.976 7.766 0.210 17928 stop_ save_