data_19294 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19294 _Entry.PDB_ID 2M9H 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 19294 _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 3 3 GLY N N 3 109.851 109.851 110.079 -0.228 19294 2 1 1 . 1 1 3 3 GLY H H 3 8.585 8.585 8.053 0.532 19294 3 1 1 . 1 1 4 4 SER N N 4 115.542 115.542 116.035 -0.493 19294 4 1 1 . 1 1 4 4 SER H H 4 8.129 8.129 8.393 -0.264 19294 5 1 1 . 1 1 5 5 LEU N N 5 123.929 123.929 119.783 4.146 19294 6 1 1 . 1 1 5 5 LEU H H 5 8.315 8.315 8.095 0.220 19294 7 1 1 . 1 1 6 6 SER N N 6 115.912 115.912 115.808 0.104 19294 8 1 1 . 1 1 6 6 SER H H 6 8.191 8.191 8.441 -0.250 19294 9 1 1 . 1 1 7 7 ASN N N 7 120.407 120.407 118.891 1.516 19294 10 1 1 . 1 1 7 7 ASN H H 7 8.400 8.400 8.695 -0.295 19294 11 1 1 . 1 1 8 8 PHE N N 8 120.059 120.059 116.617 3.442 19294 12 1 1 . 1 1 8 8 PHE H H 8 8.083 8.083 7.449 0.634 19294 13 1 1 . 1 1 9 9 ALA N N 9 124.325 124.325 123.104 1.221 19294 14 1 1 . 1 1 9 9 ALA H H 9 8.072 8.072 7.431 0.641 19294 15 1 1 . 1 1 10 10 ASN N N 10 117.559 117.559 118.861 -1.302 19294 16 1 1 . 1 1 10 10 ASN H H 10 8.237 8.237 8.458 -0.221 19294 17 1 1 . 1 1 11 11 VAL N N 11 119.391 119.391 125.135 -5.744 19294 18 1 1 . 1 1 11 11 VAL H H 11 7.949 7.949 8.508 -0.559 19294 19 1 1 . 1 1 12 12 GLY N N 12 112.124 112.124 110.314 1.810 19294 20 1 1 . 1 1 12 12 GLY H H 12 8.426 8.426 8.185 0.241 19294 21 1 1 . 1 1 13 13 VAL N N 13 118.978 118.978 121.997 -3.019 19294 22 1 1 . 1 1 13 13 VAL H H 13 7.980 7.980 8.130 -0.150 19294 23 1 1 . 1 1 14 14 GLY N N 14 112.259 112.259 112.881 -0.622 19294 24 1 1 . 1 1 14 14 GLY H H 14 8.510 8.510 8.436 0.074 19294 25 1 1 . 1 1 15 15 THR N N 15 113.294 113.294 113.253 0.041 19294 26 1 1 . 1 1 15 15 THR H H 15 8.058 8.058 7.894 0.164 19294 27 1 1 . 1 1 16 16 SER N N 16 118.015 118.015 121.975 -3.960 19294 28 1 1 . 1 1 16 16 SER H H 16 8.409 8.409 8.338 0.071 19294 29 1 1 . 1 1 17 17 SER N N 17 117.642 117.642 118.833 -1.191 19294 30 1 1 . 1 1 17 17 SER H H 17 8.336 8.336 8.641 -0.305 19294 31 1 1 . 1 1 18 18 GLY N N 18 110.661 110.661 113.048 -2.387 19294 32 1 1 . 1 1 18 18 GLY H H 18 8.369 8.369 8.558 -0.189 19294 33 1 1 . 1 1 19 19 LYS N N 19 120.510 120.510 122.503 -1.993 19294 34 1 1 . 1 1 19 19 LYS H H 19 8.105 8.105 8.177 -0.072 19294 35 1 1 . 1 1 20 20 GLN N N 20 120.815 120.815 120.877 -0.062 19294 36 1 1 . 1 1 20 20 GLN H H 20 8.255 8.255 8.265 -0.010 19294 37 1 1 . 1 1 21 21 LYS N N 21 123.190 123.190 119.254 3.936 19294 38 1 1 . 1 1 21 21 LYS H H 21 8.235 8.235 8.509 -0.274 19294 39 1 1 . 1 1 22 22 ARG N N 22 122.038 122.038 118.982 3.056 19294 40 1 1 . 1 1 22 22 ARG H H 22 8.005 8.005 7.929 0.076 19294 41 1 1 . 1 1 23 23 TYR N N 23 122.249 122.249 124.889 -2.640 19294 42 1 1 . 1 1 23 23 TYR H H 23 8.332 8.332 8.542 -0.210 19294 43 1 1 . 1 1 24 24 LYS N N 24 125.906 125.906 117.156 8.750 19294 44 1 1 . 1 1 24 24 LYS H H 24 8.591 8.591 8.253 0.338 19294 45 1 1 . 1 1 25 25 PHE N N 25 124.526 124.526 118.114 6.412 19294 46 1 1 . 1 1 25 25 PHE H H 25 8.875 8.875 8.459 0.416 19294 47 1 1 . 1 1 26 26 SER N N 26 121.585 121.585 122.689 -1.104 19294 48 1 1 . 1 1 26 26 SER H H 26 9.536 9.536 9.011 0.525 19294 49 1 1 . 1 1 27 27 ALA N N 27 124.035 124.035 125.387 -1.352 19294 50 1 1 . 1 1 27 27 ALA H H 27 9.042 9.042 9.167 -0.125 19294 51 1 1 . 1 1 28 28 SER N N 28 112.803 112.803 113.126 -0.323 19294 52 1 1 . 1 1 28 28 SER H H 28 8.323 8.323 8.416 -0.093 19294 53 1 1 . 1 1 29 29 GLU N N 29 123.527 123.527 121.507 2.020 19294 54 1 1 . 1 1 29 29 GLU H H 29 7.860 7.860 8.483 -0.623 19294 55 1 1 . 1 1 30 30 ASP N N 30 120.194 120.194 118.922 1.272 19294 56 1 1 . 1 1 30 30 ASP H H 30 8.262 8.262 7.620 0.642 19294 57 1 1 . 1 1 31 31 GLU N N 31 117.806 117.806 119.035 -1.229 19294 58 1 1 . 1 1 31 31 GLU H H 31 8.179 8.179 7.572 0.607 19294 59 1 1 . 1 1 32 32 ALA N N 32 121.610 121.610 122.066 -0.456 19294 60 1 1 . 1 1 32 32 ALA H H 32 7.639 7.639 7.344 0.295 19294 61 1 1 . 1 1 33 33 ILE N N 33 117.076 117.076 118.195 -1.119 19294 62 1 1 . 1 1 33 33 ILE H H 33 8.144 8.144 7.223 0.921 19294 63 1 1 . 1 1 34 34 ILE N N 34 118.607 118.607 117.586 1.021 19294 64 1 1 . 1 1 34 34 ILE H H 34 7.925 7.925 7.899 0.026 19294 65 1 1 . 1 1 35 35 LYS N N 35 120.394 120.394 120.829 -0.435 19294 66 1 1 . 1 1 35 35 LYS H H 35 8.578 8.578 7.858 0.720 19294 67 1 1 . 1 1 36 36 GLY N N 36 110.322 110.322 107.404 2.918 19294 68 1 1 . 1 1 36 36 GLY H H 36 8.866 8.866 7.728 1.138 19294 69 1 1 . 1 1 37 37 LEU N N 37 123.178 123.178 121.584 1.594 19294 70 1 1 . 1 1 37 37 LEU H H 37 8.610 8.610 8.149 0.461 19294 71 1 1 . 1 1 38 38 ALA N N 38 117.618 117.618 119.675 -2.057 19294 72 1 1 . 1 1 38 38 ALA H H 38 7.016 7.016 7.743 -0.727 19294 73 1 1 . 1 1 39 39 ARG N N 39 118.101 118.101 118.989 -0.888 19294 74 1 1 . 1 1 39 39 ARG H H 39 7.274 7.274 7.455 -0.181 19294 75 1 1 . 1 1 40 40 PHE N N 40 120.820 120.820 116.573 4.247 19294 76 1 1 . 1 1 40 40 PHE H H 40 8.317 8.317 7.790 0.527 19294 77 1 1 . 1 1 41 41 THR N N 41 111.784 111.784 112.079 -0.295 19294 78 1 1 . 1 1 41 41 THR H H 41 7.967 7.967 8.587 -0.620 19294 79 1 1 . 1 1 42 42 LYS N N 42 119.745 119.745 122.633 -2.888 19294 80 1 1 . 1 1 42 42 LYS H H 42 7.909 7.909 8.396 -0.487 19294 81 1 1 . 1 1 43 43 GLY N N 43 109.836 109.836 111.003 -1.167 19294 82 1 1 . 1 1 43 43 GLY H H 43 8.413 8.413 7.642 0.771 19294 83 1 1 . 1 1 44 44 GLN N N 44 119.385 119.385 118.672 0.713 19294 84 1 1 . 1 1 44 44 GLN H H 44 8.701 8.701 8.546 0.155 19294 85 1 1 . 1 1 45 45 GLN N N 45 117.945 117.945 117.582 0.363 19294 86 1 1 . 1 1 45 45 GLN H H 45 8.701 8.701 7.934 0.767 19294 87 1 1 . 1 1 46 46 ARG N N 46 120.031 120.031 122.678 -2.647 19294 88 1 1 . 1 1 46 46 ARG H H 46 7.508 7.508 8.425 -0.917 19294 89 1 1 . 1 1 47 47 PHE N N 47 114.942 114.942 118.296 -3.354 19294 90 1 1 . 1 1 47 47 PHE H H 47 8.192 8.192 7.742 0.450 19294 91 1 1 . 1 1 48 48 GLN N N 48 122.079 122.079 117.848 4.231 19294 92 1 1 . 1 1 48 48 GLN H H 48 7.952 7.952 8.593 -0.641 19294 93 1 1 . 1 1 49 49 GLN N N 49 117.512 117.512 120.148 -2.636 19294 94 1 1 . 1 1 49 49 GLN H H 49 7.873 7.873 7.690 0.183 19294 95 1 1 . 1 1 50 50 ILE N N 50 119.870 119.870 120.772 -0.902 19294 96 1 1 . 1 1 50 50 ILE H H 50 8.000 8.000 8.439 -0.439 19294 97 1 1 . 1 1 51 51 TYR N N 51 119.329 119.329 121.762 -2.433 19294 98 1 1 . 1 1 51 51 TYR H H 51 8.349 8.349 8.009 0.340 19294 99 1 1 . 1 1 52 52 TYR N N 52 114.638 114.638 116.174 -1.536 19294 100 1 1 . 1 1 52 52 TYR H H 52 8.042 8.042 7.869 0.173 19294 101 1 1 . 1 1 53 53 ALA N N 53 122.239 122.239 122.362 -0.123 19294 102 1 1 . 1 1 53 53 ALA H H 53 8.332 8.332 7.574 0.758 19294 103 1 1 . 1 1 54 54 TYR N N 54 115.435 115.435 117.006 -1.571 19294 104 1 1 . 1 1 54 54 TYR H H 54 7.358 7.358 7.982 -0.624 19294 105 1 1 . 1 1 55 55 ARG N N 55 118.154 118.154 121.305 -3.151 19294 106 1 1 . 1 1 55 55 ARG H H 55 6.625 6.625 7.099 -0.474 19294 107 1 1 . 1 1 56 56 SER N N 56 110.807 110.807 117.904 -7.097 19294 108 1 1 . 1 1 56 56 SER H H 56 8.149 8.149 7.931 0.218 19294 109 1 1 . 1 1 57 57 VAL N N 57 120.648 120.648 117.681 2.967 19294 110 1 1 . 1 1 57 57 VAL H H 57 7.790 7.790 7.717 0.073 19294 111 1 1 . 1 1 58 58 TRP N N 58 114.004 114.004 120.731 -6.727 19294 112 1 1 . 1 1 58 58 TRP H H 58 5.902 5.902 7.965 -2.063 19294 113 1 1 . 1 1 59 59 HIS N N 59 125.034 125.034 115.579 9.455 19294 114 1 1 . 1 1 59 59 HIS H H 59 8.658 8.658 8.320 0.338 19294 115 1 1 . 1 1 61 61 ALA N N 61 123.740 123.740 127.210 -3.470 19294 116 1 1 . 1 1 61 61 ALA H H 61 8.220 8.220 7.521 0.699 19294 117 1 1 . 1 1 62 62 ARG N N 62 120.118 120.118 120.474 -0.356 19294 118 1 1 . 1 1 62 62 ARG H H 62 8.221 8.221 8.529 -0.308 19294 119 1 1 . 1 1 63 63 THR N N 63 114.028 114.028 116.058 -2.030 19294 120 1 1 . 1 1 63 63 THR H H 63 6.860 6.860 8.507 -1.647 19294 121 1 1 . 1 1 64 64 VAL N N 64 120.498 120.498 123.024 -2.526 19294 122 1 1 . 1 1 64 64 VAL H H 64 8.104 8.104 8.464 -0.360 19294 123 1 1 . 1 1 65 65 SER N N 65 113.818 113.818 114.561 -0.743 19294 124 1 1 . 1 1 65 65 SER H H 65 8.210 8.210 8.092 0.118 19294 125 1 1 . 1 1 66 66 GLN N N 66 119.304 119.304 120.670 -1.366 19294 126 1 1 . 1 1 66 66 GLN H H 66 7.471 7.471 7.653 -0.182 19294 127 1 1 . 1 1 67 67 LEU N N 67 118.987 118.987 121.272 -2.285 19294 128 1 1 . 1 1 67 67 LEU H H 67 7.724 7.724 7.680 0.044 19294 129 1 1 . 1 1 68 68 TYR N N 68 118.918 118.918 117.647 1.271 19294 130 1 1 . 1 1 68 68 TYR H H 68 7.560 7.560 8.197 -0.637 19294 131 1 1 . 1 1 69 69 ASP N N 69 119.021 119.021 120.551 -1.530 19294 132 1 1 . 1 1 69 69 ASP H H 69 8.611 8.611 7.589 1.022 19294 133 1 1 . 1 1 70 70 HIS N N 70 119.566 119.566 118.277 1.289 19294 134 1 1 . 1 1 70 70 HIS H H 70 8.217 8.217 7.373 0.844 19294 135 1 1 . 1 1 71 71 TRP N N 71 122.074 122.074 121.152 0.922 19294 136 1 1 . 1 1 71 71 TRP H H 71 8.510 8.510 8.747 -0.237 19294 137 1 1 . 1 1 73 73 GLY N N 73 102.171 102.171 105.908 -3.737 19294 138 1 1 . 1 1 73 73 GLY H H 73 7.977 7.977 7.894 0.083 19294 139 1 1 . 1 1 74 74 THR N N 74 112.306 112.306 115.260 -2.954 19294 140 1 1 . 1 1 74 74 THR H H 74 7.190 7.190 7.544 -0.354 19294 141 1 1 . 1 1 75 75 LEU N N 75 122.319 122.319 120.360 1.959 19294 142 1 1 . 1 1 75 75 LEU H H 75 7.735 7.735 7.340 0.395 19294 143 1 1 . 1 1 76 76 ARG N N 76 116.956 116.956 117.020 -0.064 19294 144 1 1 . 1 1 76 76 ARG H H 76 8.188 8.188 7.223 0.965 19294 145 1 1 . 1 1 80 80 ILE N N 80 122.069 122.069 122.984 -0.915 19294 146 1 1 . 1 1 80 80 ILE H H 80 7.862 7.862 8.273 -0.411 19294 147 1 1 . 1 1 81 81 GLN N N 81 122.536 122.536 119.454 3.082 19294 148 1 1 . 1 1 81 81 GLN H H 81 8.161 8.161 8.375 -0.214 19294 149 1 1 . 1 1 83 83 GLN N N 83 120.732 120.732 122.051 -1.319 19294 150 1 1 . 1 1 83 83 GLN H H 83 8.342 8.342 8.485 -0.143 19294 151 1 1 . 1 1 84 84 GLY N N 84 109.358 109.358 109.010 0.348 19294 152 1 1 . 1 1 84 84 GLY H H 84 8.310 8.310 8.475 -0.165 19294 153 1 1 . 1 1 85 85 TYR N N 85 120.275 120.275 121.155 -0.880 19294 154 1 1 . 1 1 85 85 TYR H H 85 8.026 8.026 8.400 -0.374 19294 155 1 1 . 1 1 86 86 ARG N N 86 123.513 123.513 125.921 -2.408 19294 156 1 1 . 1 1 86 86 ARG H H 86 8.217 8.217 8.297 -0.080 19294 157 1 1 . 1 1 87 87 GLY N N 87 108.952 108.952 109.203 -0.251 19294 158 1 1 . 1 1 87 87 GLY H H 87 7.760 7.760 7.723 0.037 19294 159 1 1 . 1 1 88 88 LYS N N 88 120.704 120.704 120.043 0.661 19294 160 1 1 . 1 1 88 88 LYS H H 88 8.193 8.193 7.499 0.694 19294 161 1 1 . 1 1 89 89 ASN N N 89 119.295 119.295 122.498 -3.203 19294 162 1 1 . 1 1 89 89 ASN H H 89 8.469 8.469 8.830 -0.361 19294 163 1 1 . 1 1 90 90 SER N N 90 116.172 116.172 114.550 1.622 19294 164 1 1 . 1 1 90 90 SER H H 90 8.164 8.164 8.126 0.038 19294 165 1 1 . 1 1 91 91 VAL N N 91 121.404 121.404 120.690 0.714 19294 166 1 1 . 1 1 91 91 VAL H H 91 8.076 8.076 7.692 0.384 19294 167 1 1 . 1 1 92 92 ALA N N 92 127.063 127.063 129.739 -2.676 19294 168 1 1 . 1 1 92 92 ALA H H 92 8.224 8.224 8.389 -0.165 19294 169 1 1 . 1 1 93 93 ALA N N 93 123.146 123.146 125.500 -2.354 19294 170 1 1 . 1 1 93 93 ALA H H 93 8.128 8.128 8.334 -0.206 19294 171 1 1 . 1 1 94 94 ARG N N 94 120.040 120.040 121.011 -0.971 19294 172 1 1 . 1 1 94 94 ARG H H 94 8.178 8.178 8.596 -0.418 19294 173 1 1 . 1 1 95 95 SER N N 95 118.524 118.524 115.321 3.203 19294 174 1 1 . 1 1 95 95 SER H H 95 8.325 8.325 8.625 -0.300 19294 175 1 1 . 1 1 97 97 GLU N N 97 120.828 120.828 118.449 2.379 19294 176 1 1 . 1 1 97 97 GLU H H 97 8.481 8.481 8.472 0.009 19294 177 1 1 . 1 1 98 98 LYS N N 98 122.084 122.084 120.451 1.633 19294 178 1 1 . 1 1 98 98 LYS H H 98 8.211 8.211 8.393 -0.182 19294 179 1 1 . 1 1 99 99 ALA N N 99 125.318 125.318 125.706 -0.388 19294 180 1 1 . 1 1 99 99 ALA H H 99 8.280 8.280 8.288 -0.008 19294 181 1 1 . 1 1 100 100 SER N N 100 114.843 114.843 118.170 -3.327 19294 182 1 1 . 1 1 100 100 SER H H 100 8.262 8.262 8.605 -0.343 19294 183 1 1 . 1 1 101 101 ASN N N 101 120.169 120.169 123.443 -3.274 19294 184 1 1 . 1 1 101 101 ASN H H 101 8.260 8.260 8.839 -0.579 19294 185 1 1 . 1 1 102 102 MET N N 102 120.309 120.309 120.655 -0.346 19294 186 1 1 . 1 1 102 102 MET H H 102 8.262 8.262 8.061 0.201 19294 187 1 1 . 1 1 103 103 GLU N N 103 121.199 121.199 124.812 -3.613 19294 188 1 1 . 1 1 103 103 GLU H H 103 8.345 8.345 8.522 -0.177 19294 189 1 1 . 1 1 104 104 ASN N N 104 119.139 119.139 121.800 -2.661 19294 190 1 1 . 1 1 104 104 ASN H H 104 8.385 8.385 8.588 -0.203 19294 191 1 1 . 1 1 105 105 ASN N N 105 119.640 119.640 120.299 -0.659 19294 192 1 1 . 1 1 105 105 ASN H H 105 8.400 8.400 8.746 -0.346 19294 193 1 2 . 1 1 3 3 GLY N N 3 109.851 109.851 106.790 3.061 19294 194 1 2 . 1 1 3 3 GLY H H 3 8.585 8.585 8.680 -0.095 19294 195 1 2 . 1 1 4 4 SER N N 4 115.542 115.542 116.452 -0.910 19294 196 1 2 . 1 1 4 4 SER H H 4 8.129 8.129 7.981 0.148 19294 197 1 2 . 1 1 5 5 LEU N N 5 123.929 123.929 122.051 1.878 19294 198 1 2 . 1 1 5 5 LEU H H 5 8.315 8.315 8.567 -0.252 19294 199 1 2 . 1 1 6 6 SER N N 6 115.912 115.912 114.410 1.502 19294 200 1 2 . 1 1 6 6 SER H H 6 8.191 8.191 7.769 0.422 19294 201 1 2 . 1 1 7 7 ASN N N 7 120.407 120.407 120.973 -0.566 19294 202 1 2 . 1 1 7 7 ASN H H 7 8.400 8.400 8.236 0.164 19294 203 1 2 . 1 1 8 8 PHE N N 8 120.059 120.059 119.988 0.071 19294 204 1 2 . 1 1 8 8 PHE H H 8 8.083 8.083 7.871 0.212 19294 205 1 2 . 1 1 9 9 ALA N N 9 124.325 124.325 123.482 0.843 19294 206 1 2 . 1 1 9 9 ALA H H 9 8.072 8.072 8.747 -0.675 19294 207 1 2 . 1 1 10 10 ASN N N 10 117.559 117.559 120.301 -2.742 19294 208 1 2 . 1 1 10 10 ASN H H 10 8.237 8.237 8.365 -0.128 19294 209 1 2 . 1 1 11 11 VAL N N 11 119.391 119.391 120.206 -0.815 19294 210 1 2 . 1 1 11 11 VAL H H 11 7.949 7.949 8.167 -0.218 19294 211 1 2 . 1 1 12 12 GLY N N 12 112.124 112.124 110.126 1.998 19294 212 1 2 . 1 1 12 12 GLY H H 12 8.426 8.426 8.154 0.272 19294 213 1 2 . 1 1 13 13 VAL N N 13 118.978 118.978 118.292 0.686 19294 214 1 2 . 1 1 13 13 VAL H H 13 7.980 7.980 8.210 -0.231 19294 215 1 2 . 1 1 14 14 GLY N N 14 112.259 112.259 112.415 -0.156 19294 216 1 2 . 1 1 14 14 GLY H H 14 8.510 8.510 8.800 -0.290 19294 217 1 2 . 1 1 15 15 THR N N 15 113.294 113.294 117.311 -4.017 19294 218 1 2 . 1 1 15 15 THR H H 15 8.058 8.058 7.973 0.085 19294 219 1 2 . 1 1 16 16 SER N N 16 118.015 118.015 120.504 -2.489 19294 220 1 2 . 1 1 16 16 SER H H 16 8.409 8.409 8.654 -0.245 19294 221 1 2 . 1 1 17 17 SER N N 17 117.642 117.642 119.060 -1.418 19294 222 1 2 . 1 1 17 17 SER H H 17 8.336 8.336 8.455 -0.119 19294 223 1 2 . 1 1 18 18 GLY N N 18 110.661 110.661 108.445 2.216 19294 224 1 2 . 1 1 18 18 GLY H H 18 8.369 8.369 8.949 -0.580 19294 225 1 2 . 1 1 19 19 LYS N N 19 120.510 120.510 118.931 1.579 19294 226 1 2 . 1 1 19 19 LYS H H 19 8.105 8.105 8.856 -0.751 19294 227 1 2 . 1 1 20 20 GLN N N 20 120.815 120.815 119.595 1.220 19294 228 1 2 . 1 1 20 20 GLN H H 20 8.255 8.255 8.511 -0.256 19294 229 1 2 . 1 1 21 21 LYS N N 21 123.190 123.190 121.648 1.542 19294 230 1 2 . 1 1 21 21 LYS H H 21 8.235 8.235 8.589 -0.354 19294 231 1 2 . 1 1 22 22 ARG N N 22 122.038 122.038 122.714 -0.676 19294 232 1 2 . 1 1 22 22 ARG H H 22 8.005 8.005 8.691 -0.686 19294 233 1 2 . 1 1 23 23 TYR N N 23 122.249 122.249 119.693 2.556 19294 234 1 2 . 1 1 23 23 TYR H H 23 8.332 8.332 8.207 0.125 19294 235 1 2 . 1 1 24 24 LYS N N 24 125.906 125.906 123.543 2.363 19294 236 1 2 . 1 1 24 24 LYS H H 24 8.591 8.591 8.247 0.344 19294 237 1 2 . 1 1 25 25 PHE N N 25 124.526 124.526 120.701 3.825 19294 238 1 2 . 1 1 25 25 PHE H H 25 8.875 8.875 8.063 0.812 19294 239 1 2 . 1 1 26 26 SER N N 26 121.585 121.585 116.634 4.951 19294 240 1 2 . 1 1 26 26 SER H H 26 9.536 9.536 8.567 0.969 19294 241 1 2 . 1 1 27 27 ALA N N 27 124.035 124.035 117.931 6.104 19294 242 1 2 . 1 1 27 27 ALA H H 27 9.042 9.042 7.773 1.269 19294 243 1 2 . 1 1 28 28 SER N N 28 112.803 112.803 116.503 -3.700 19294 244 1 2 . 1 1 28 28 SER H H 28 8.323 8.323 7.910 0.413 19294 245 1 2 . 1 1 29 29 GLU N N 29 123.527 123.527 121.150 2.377 19294 246 1 2 . 1 1 29 29 GLU H H 29 7.860 7.860 7.556 0.304 19294 247 1 2 . 1 1 30 30 ASP N N 30 120.194 120.194 120.420 -0.226 19294 248 1 2 . 1 1 30 30 ASP H H 30 8.262 8.262 7.721 0.541 19294 249 1 2 . 1 1 31 31 GLU N N 31 117.806 117.806 118.873 -1.067 19294 250 1 2 . 1 1 31 31 GLU H H 31 8.179 8.179 7.560 0.619 19294 251 1 2 . 1 1 32 32 ALA N N 32 121.610 121.610 121.723 -0.113 19294 252 1 2 . 1 1 32 32 ALA H H 32 7.639 7.639 7.457 0.182 19294 253 1 2 . 1 1 33 33 ILE N N 33 117.076 117.076 118.781 -1.705 19294 254 1 2 . 1 1 33 33 ILE H H 33 8.144 8.144 7.189 0.955 19294 255 1 2 . 1 1 34 34 ILE N N 34 118.607 118.607 118.002 0.605 19294 256 1 2 . 1 1 34 34 ILE H H 34 7.925 7.925 8.250 -0.325 19294 257 1 2 . 1 1 35 35 LYS N N 35 120.394 120.394 120.693 -0.299 19294 258 1 2 . 1 1 35 35 LYS H H 35 8.578 8.578 7.845 0.733 19294 259 1 2 . 1 1 36 36 GLY N N 36 110.322 110.322 107.533 2.789 19294 260 1 2 . 1 1 36 36 GLY H H 36 8.866 8.866 7.939 0.927 19294 261 1 2 . 1 1 37 37 LEU N N 37 123.178 123.178 122.510 0.668 19294 262 1 2 . 1 1 37 37 LEU H H 37 8.610 8.610 8.321 0.289 19294 263 1 2 . 1 1 38 38 ALA N N 38 117.618 117.618 120.725 -3.107 19294 264 1 2 . 1 1 38 38 ALA H H 38 7.016 7.016 7.695 -0.679 19294 265 1 2 . 1 1 39 39 ARG N N 39 118.101 118.101 115.128 2.973 19294 266 1 2 . 1 1 39 39 ARG H H 39 7.274 7.274 7.507 -0.233 19294 267 1 2 . 1 1 40 40 PHE N N 40 120.820 120.820 120.442 0.378 19294 268 1 2 . 1 1 40 40 PHE H H 40 8.317 8.317 8.639 -0.322 19294 269 1 2 . 1 1 41 41 THR N N 41 111.784 111.784 114.369 -2.585 19294 270 1 2 . 1 1 41 41 THR H H 41 7.967 7.967 8.600 -0.633 19294 271 1 2 . 1 1 42 42 LYS N N 42 119.745 119.745 122.540 -2.795 19294 272 1 2 . 1 1 42 42 LYS H H 42 7.909 7.909 8.254 -0.345 19294 273 1 2 . 1 1 43 43 GLY N N 43 109.836 109.836 107.892 1.944 19294 274 1 2 . 1 1 43 43 GLY H H 43 8.413 8.413 7.237 1.176 19294 275 1 2 . 1 1 44 44 GLN N N 44 119.385 119.385 118.641 0.744 19294 276 1 2 . 1 1 44 44 GLN H H 44 8.701 8.701 8.428 0.273 19294 277 1 2 . 1 1 45 45 GLN N N 45 117.945 117.945 118.674 -0.729 19294 278 1 2 . 1 1 45 45 GLN H H 45 8.701 8.701 8.424 0.277 19294 279 1 2 . 1 1 46 46 ARG N N 46 120.031 120.031 121.269 -1.238 19294 280 1 2 . 1 1 46 46 ARG H H 46 7.508 7.508 8.289 -0.781 19294 281 1 2 . 1 1 47 47 PHE N N 47 114.942 114.942 117.639 -2.697 19294 282 1 2 . 1 1 47 47 PHE H H 47 8.192 8.192 7.643 0.549 19294 283 1 2 . 1 1 48 48 GLN N N 48 122.079 122.079 119.081 2.998 19294 284 1 2 . 1 1 48 48 GLN H H 48 7.952 7.952 7.963 -0.011 19294 285 1 2 . 1 1 49 49 GLN N N 49 117.512 117.512 119.677 -2.165 19294 286 1 2 . 1 1 49 49 GLN H H 49 7.873 7.873 7.969 -0.096 19294 287 1 2 . 1 1 50 50 ILE N N 50 119.870 119.870 120.407 -0.537 19294 288 1 2 . 1 1 50 50 ILE H H 50 8.000 8.000 8.114 -0.114 19294 289 1 2 . 1 1 51 51 TYR N N 51 119.329 119.329 122.423 -3.094 19294 290 1 2 . 1 1 51 51 TYR H H 51 8.349 8.349 7.904 0.445 19294 291 1 2 . 1 1 52 52 TYR N N 52 114.638 114.638 115.572 -0.934 19294 292 1 2 . 1 1 52 52 TYR H H 52 8.042 8.042 7.594 0.448 19294 293 1 2 . 1 1 53 53 ALA N N 53 122.239 122.239 121.441 0.798 19294 294 1 2 . 1 1 53 53 ALA H H 53 8.332 8.332 7.528 0.804 19294 295 1 2 . 1 1 54 54 TYR N N 54 115.435 115.435 115.901 -0.466 19294 296 1 2 . 1 1 54 54 TYR H H 54 7.358 7.358 8.026 -0.668 19294 297 1 2 . 1 1 55 55 ARG N N 55 118.154 118.154 122.766 -4.612 19294 298 1 2 . 1 1 55 55 ARG H H 55 6.625 6.625 7.357 -0.732 19294 299 1 2 . 1 1 56 56 SER N N 56 110.807 110.807 119.317 -8.510 19294 300 1 2 . 1 1 56 56 SER H H 56 8.149 8.149 8.453 -0.304 19294 301 1 2 . 1 1 57 57 VAL N N 57 120.648 120.648 119.615 1.033 19294 302 1 2 . 1 1 57 57 VAL H H 57 7.790 7.790 7.558 0.232 19294 303 1 2 . 1 1 58 58 TRP N N 58 114.004 114.004 120.054 -6.050 19294 304 1 2 . 1 1 58 58 TRP H H 58 5.902 5.902 7.943 -2.041 19294 305 1 2 . 1 1 59 59 HIS N N 59 125.034 125.034 119.635 5.399 19294 306 1 2 . 1 1 59 59 HIS H H 59 8.658 8.658 8.240 0.418 19294 307 1 2 . 1 1 61 61 ALA N N 61 123.740 123.740 127.650 -3.910 19294 308 1 2 . 1 1 61 61 ALA H H 61 8.220 8.220 8.108 0.112 19294 309 1 2 . 1 1 62 62 ARG N N 62 120.118 120.118 119.180 0.938 19294 310 1 2 . 1 1 62 62 ARG H H 62 8.221 8.221 8.486 -0.265 19294 311 1 2 . 1 1 63 63 THR N N 63 114.028 114.028 115.064 -1.036 19294 312 1 2 . 1 1 63 63 THR H H 63 6.860 6.860 8.932 -2.072 19294 313 1 2 . 1 1 64 64 VAL N N 64 120.498 120.498 123.650 -3.152 19294 314 1 2 . 1 1 64 64 VAL H H 64 8.104 8.104 8.412 -0.308 19294 315 1 2 . 1 1 65 65 SER N N 65 113.818 113.818 113.850 -0.032 19294 316 1 2 . 1 1 65 65 SER H H 65 8.210 8.210 8.130 0.080 19294 317 1 2 . 1 1 66 66 GLN N N 66 119.304 119.304 120.789 -1.485 19294 318 1 2 . 1 1 66 66 GLN H H 66 7.471 7.471 7.173 0.298 19294 319 1 2 . 1 1 67 67 LEU N N 67 118.987 118.987 121.281 -2.294 19294 320 1 2 . 1 1 67 67 LEU H H 67 7.724 7.724 7.402 0.322 19294 321 1 2 . 1 1 68 68 TYR N N 68 118.918 118.918 116.863 2.055 19294 322 1 2 . 1 1 68 68 TYR H H 68 7.560 7.560 7.822 -0.262 19294 323 1 2 . 1 1 69 69 ASP N N 69 119.021 119.021 120.629 -1.608 19294 324 1 2 . 1 1 69 69 ASP H H 69 8.611 8.611 7.635 0.976 19294 325 1 2 . 1 1 70 70 HIS N N 70 119.566 119.566 118.836 0.730 19294 326 1 2 . 1 1 70 70 HIS H H 70 8.217 8.217 7.553 0.664 19294 327 1 2 . 1 1 71 71 TRP N N 71 122.074 122.074 121.372 0.702 19294 328 1 2 . 1 1 71 71 TRP H H 71 8.510 8.510 8.755 -0.244 19294 329 1 2 . 1 1 73 73 GLY N N 73 102.171 102.171 105.758 -3.587 19294 330 1 2 . 1 1 73 73 GLY H H 73 7.977 7.977 8.034 -0.057 19294 331 1 2 . 1 1 74 74 THR N N 74 112.306 112.306 117.202 -4.896 19294 332 1 2 . 1 1 74 74 THR H H 74 7.190 7.190 7.731 -0.541 19294 333 1 2 . 1 1 75 75 LEU N N 75 122.319 122.319 119.909 2.410 19294 334 1 2 . 1 1 75 75 LEU H H 75 7.735 7.735 7.175 0.560 19294 335 1 2 . 1 1 76 76 ARG N N 76 116.956 116.956 120.200 -3.244 19294 336 1 2 . 1 1 76 76 ARG H H 76 8.188 8.188 7.141 1.047 19294 337 1 2 . 1 1 80 80 ILE N N 80 122.069 122.069 115.029 7.040 19294 338 1 2 . 1 1 80 80 ILE H H 80 7.862 7.862 8.441 -0.579 19294 339 1 2 . 1 1 81 81 GLN N N 81 122.536 122.536 123.576 -1.040 19294 340 1 2 . 1 1 81 81 GLN H H 81 8.161 8.161 8.431 -0.270 19294 341 1 2 . 1 1 83 83 GLN N N 83 120.732 120.732 121.321 -0.589 19294 342 1 2 . 1 1 83 83 GLN H H 83 8.342 8.342 8.503 -0.161 19294 343 1 2 . 1 1 84 84 GLY N N 84 109.358 109.358 108.789 0.569 19294 344 1 2 . 1 1 84 84 GLY H H 84 8.310 8.310 7.824 0.486 19294 345 1 2 . 1 1 85 85 TYR N N 85 120.275 120.275 122.206 -1.931 19294 346 1 2 . 1 1 85 85 TYR H H 85 8.026 8.026 8.294 -0.268 19294 347 1 2 . 1 1 86 86 ARG N N 86 123.513 123.513 118.644 4.869 19294 348 1 2 . 1 1 86 86 ARG H H 86 8.217 8.217 8.413 -0.196 19294 349 1 2 . 1 1 87 87 GLY N N 87 108.952 108.952 106.952 2.000 19294 350 1 2 . 1 1 87 87 GLY H H 87 7.760 7.760 7.653 0.107 19294 351 1 2 . 1 1 88 88 LYS N N 88 120.704 120.704 118.432 2.272 19294 352 1 2 . 1 1 88 88 LYS H H 88 8.193 8.193 8.653 -0.460 19294 353 1 2 . 1 1 89 89 ASN N N 89 119.295 119.295 115.581 3.714 19294 354 1 2 . 1 1 89 89 ASN H H 89 8.469 8.469 8.042 0.427 19294 355 1 2 . 1 1 90 90 SER N N 90 116.172 116.172 114.372 1.800 19294 356 1 2 . 1 1 90 90 SER H H 90 8.164 8.164 7.903 0.261 19294 357 1 2 . 1 1 91 91 VAL N N 91 121.404 121.404 118.388 3.016 19294 358 1 2 . 1 1 91 91 VAL H H 91 8.076 8.076 8.114 -0.038 19294 359 1 2 . 1 1 92 92 ALA N N 92 127.063 127.063 125.830 1.233 19294 360 1 2 . 1 1 92 92 ALA H H 92 8.224 8.224 8.368 -0.144 19294 361 1 2 . 1 1 93 93 ALA N N 93 123.146 123.146 125.329 -2.183 19294 362 1 2 . 1 1 93 93 ALA H H 93 8.128 8.128 8.214 -0.086 19294 363 1 2 . 1 1 94 94 ARG N N 94 120.040 120.040 120.820 -0.780 19294 364 1 2 . 1 1 94 94 ARG H H 94 8.178 8.178 8.450 -0.272 19294 365 1 2 . 1 1 95 95 SER N N 95 118.524 118.524 115.642 2.882 19294 366 1 2 . 1 1 95 95 SER H H 95 8.325 8.325 8.688 -0.363 19294 367 1 2 . 1 1 97 97 GLU N N 97 120.828 120.828 120.318 0.510 19294 368 1 2 . 1 1 97 97 GLU H H 97 8.481 8.481 8.120 0.361 19294 369 1 2 . 1 1 98 98 LYS N N 98 122.084 122.084 118.010 4.074 19294 370 1 2 . 1 1 98 98 LYS H H 98 8.211 8.211 8.363 -0.152 19294 371 1 2 . 1 1 99 99 ALA N N 99 125.318 125.318 121.719 3.599 19294 372 1 2 . 1 1 99 99 ALA H H 99 8.280 8.280 8.273 0.007 19294 373 1 2 . 1 1 100 100 SER N N 100 114.843 114.843 116.298 -1.455 19294 374 1 2 . 1 1 100 100 SER H H 100 8.262 8.262 8.142 0.120 19294 375 1 2 . 1 1 101 101 ASN N N 101 120.169 120.169 122.245 -2.076 19294 376 1 2 . 1 1 101 101 ASN H H 101 8.260 8.260 8.248 0.012 19294 377 1 2 . 1 1 102 102 MET N N 102 120.309 120.309 121.692 -1.383 19294 378 1 2 . 1 1 102 102 MET H H 102 8.262 8.262 8.509 -0.247 19294 379 1 2 . 1 1 103 103 GLU N N 103 121.199 121.199 119.630 1.569 19294 380 1 2 . 1 1 103 103 GLU H H 103 8.345 8.345 8.482 -0.137 19294 381 1 2 . 1 1 104 104 ASN N N 104 119.139 119.139 120.155 -1.016 19294 382 1 2 . 1 1 104 104 ASN H H 104 8.385 8.385 8.367 0.018 19294 383 1 2 . 1 1 105 105 ASN N N 105 119.640 119.640 122.996 -3.356 19294 384 1 2 . 1 1 105 105 ASN H H 105 8.400 8.400 8.705 -0.305 19294 385 1 3 . 1 1 3 3 GLY N N 3 109.851 109.851 108.382 1.469 19294 386 1 3 . 1 1 3 3 GLY H H 3 8.585 8.585 7.933 0.652 19294 387 1 3 . 1 1 4 4 SER N N 4 115.542 115.542 117.762 -2.220 19294 388 1 3 . 1 1 4 4 SER H H 4 8.129 8.129 8.451 -0.322 19294 389 1 3 . 1 1 5 5 LEU N N 5 123.929 123.929 122.811 1.118 19294 390 1 3 . 1 1 5 5 LEU H H 5 8.315 8.315 8.311 0.004 19294 391 1 3 . 1 1 6 6 SER N N 6 115.912 115.912 116.172 -0.260 19294 392 1 3 . 1 1 6 6 SER H H 6 8.191 8.191 7.718 0.473 19294 393 1 3 . 1 1 7 7 ASN N N 7 120.407 120.407 120.909 -0.502 19294 394 1 3 . 1 1 7 7 ASN H H 7 8.400 8.400 8.490 -0.090 19294 395 1 3 . 1 1 8 8 PHE N N 8 120.059 120.059 116.293 3.766 19294 396 1 3 . 1 1 8 8 PHE H H 8 8.083 8.083 7.624 0.459 19294 397 1 3 . 1 1 9 9 ALA N N 9 124.325 124.325 126.125 -1.800 19294 398 1 3 . 1 1 9 9 ALA H H 9 8.072 8.072 8.344 -0.272 19294 399 1 3 . 1 1 10 10 ASN N N 10 117.559 117.559 118.617 -1.058 19294 400 1 3 . 1 1 10 10 ASN H H 10 8.237 8.237 8.462 -0.225 19294 401 1 3 . 1 1 11 11 VAL N N 11 119.391 119.391 118.480 0.911 19294 402 1 3 . 1 1 11 11 VAL H H 11 7.949 7.949 7.566 0.383 19294 403 1 3 . 1 1 12 12 GLY N N 12 112.124 112.124 112.688 -0.564 19294 404 1 3 . 1 1 12 12 GLY H H 12 8.426 8.426 8.561 -0.135 19294 405 1 3 . 1 1 13 13 VAL N N 13 118.978 118.978 119.751 -0.773 19294 406 1 3 . 1 1 13 13 VAL H H 13 7.980 7.980 7.761 0.219 19294 407 1 3 . 1 1 14 14 GLY N N 14 112.259 112.259 109.917 2.342 19294 408 1 3 . 1 1 14 14 GLY H H 14 8.510 8.510 8.418 0.092 19294 409 1 3 . 1 1 15 15 THR N N 15 113.294 113.294 115.970 -2.676 19294 410 1 3 . 1 1 15 15 THR H H 15 8.058 8.058 7.875 0.183 19294 411 1 3 . 1 1 16 16 SER N N 16 118.015 118.015 118.467 -0.452 19294 412 1 3 . 1 1 16 16 SER H H 16 8.409 8.409 8.518 -0.109 19294 413 1 3 . 1 1 17 17 SER N N 17 117.642 117.642 118.939 -1.297 19294 414 1 3 . 1 1 17 17 SER H H 17 8.336 8.336 8.195 0.141 19294 415 1 3 . 1 1 18 18 GLY N N 18 110.661 110.661 107.444 3.217 19294 416 1 3 . 1 1 18 18 GLY H H 18 8.369 8.369 8.527 -0.158 19294 417 1 3 . 1 1 19 19 LYS N N 19 120.510 120.510 120.350 0.160 19294 418 1 3 . 1 1 19 19 LYS H H 19 8.105 8.105 7.818 0.287 19294 419 1 3 . 1 1 20 20 GLN N N 20 120.815 120.815 120.629 0.186 19294 420 1 3 . 1 1 20 20 GLN H H 20 8.255 8.255 8.470 -0.215 19294 421 1 3 . 1 1 21 21 LYS N N 21 123.190 123.190 121.973 1.217 19294 422 1 3 . 1 1 21 21 LYS H H 21 8.235 8.235 8.145 0.090 19294 423 1 3 . 1 1 22 22 ARG N N 22 122.038 122.038 120.842 1.196 19294 424 1 3 . 1 1 22 22 ARG H H 22 8.005 8.005 8.405 -0.400 19294 425 1 3 . 1 1 23 23 TYR N N 23 122.249 122.249 119.567 2.682 19294 426 1 3 . 1 1 23 23 TYR H H 23 8.332 8.332 8.489 -0.157 19294 427 1 3 . 1 1 24 24 LYS N N 24 125.906 125.906 125.879 0.027 19294 428 1 3 . 1 1 24 24 LYS H H 24 8.591 8.591 8.841 -0.251 19294 429 1 3 . 1 1 25 25 PHE N N 25 124.526 124.526 121.179 3.347 19294 430 1 3 . 1 1 25 25 PHE H H 25 8.875 8.875 8.022 0.853 19294 431 1 3 . 1 1 26 26 SER N N 26 121.585 121.585 122.207 -0.622 19294 432 1 3 . 1 1 26 26 SER H H 26 9.536 9.536 8.518 1.018 19294 433 1 3 . 1 1 27 27 ALA N N 27 124.035 124.035 124.066 -0.031 19294 434 1 3 . 1 1 27 27 ALA H H 27 9.042 9.042 8.582 0.460 19294 435 1 3 . 1 1 28 28 SER N N 28 112.803 112.803 115.919 -3.116 19294 436 1 3 . 1 1 28 28 SER H H 28 8.323 8.323 8.485 -0.162 19294 437 1 3 . 1 1 29 29 GLU N N 29 123.527 123.527 119.808 3.719 19294 438 1 3 . 1 1 29 29 GLU H H 29 7.860 7.860 7.348 0.512 19294 439 1 3 . 1 1 30 30 ASP N N 30 120.194 120.194 120.335 -0.141 19294 440 1 3 . 1 1 30 30 ASP H H 30 8.262 8.262 7.491 0.771 19294 441 1 3 . 1 1 31 31 GLU N N 31 117.806 117.806 117.709 0.097 19294 442 1 3 . 1 1 31 31 GLU H H 31 8.179 8.179 7.527 0.652 19294 443 1 3 . 1 1 32 32 ALA N N 32 121.610 121.610 122.198 -0.588 19294 444 1 3 . 1 1 32 32 ALA H H 32 7.639 7.639 7.534 0.105 19294 445 1 3 . 1 1 33 33 ILE N N 33 117.076 117.076 118.740 -1.664 19294 446 1 3 . 1 1 33 33 ILE H H 33 8.144 8.144 7.267 0.877 19294 447 1 3 . 1 1 34 34 ILE N N 34 118.607 118.607 117.781 0.826 19294 448 1 3 . 1 1 34 34 ILE H H 34 7.925 7.925 7.889 0.036 19294 449 1 3 . 1 1 35 35 LYS N N 35 120.394 120.394 120.349 0.045 19294 450 1 3 . 1 1 35 35 LYS H H 35 8.578 8.578 7.866 0.712 19294 451 1 3 . 1 1 36 36 GLY N N 36 110.322 110.322 107.922 2.400 19294 452 1 3 . 1 1 36 36 GLY H H 36 8.866 8.866 8.021 0.845 19294 453 1 3 . 1 1 37 37 LEU N N 37 123.178 123.178 123.539 -0.361 19294 454 1 3 . 1 1 37 37 LEU H H 37 8.610 8.610 8.476 0.134 19294 455 1 3 . 1 1 38 38 ALA N N 38 117.618 117.618 120.272 -2.654 19294 456 1 3 . 1 1 38 38 ALA H H 38 7.016 7.016 7.752 -0.736 19294 457 1 3 . 1 1 39 39 ARG N N 39 118.101 118.101 117.159 0.942 19294 458 1 3 . 1 1 39 39 ARG H H 39 7.274 7.274 7.699 -0.425 19294 459 1 3 . 1 1 40 40 PHE N N 40 120.820 120.820 118.714 2.106 19294 460 1 3 . 1 1 40 40 PHE H H 40 8.317 8.317 7.833 0.484 19294 461 1 3 . 1 1 41 41 THR N N 41 111.784 111.784 112.875 -1.091 19294 462 1 3 . 1 1 41 41 THR H H 41 7.967 7.967 8.381 -0.414 19294 463 1 3 . 1 1 42 42 LYS N N 42 119.745 119.745 122.032 -2.287 19294 464 1 3 . 1 1 42 42 LYS H H 42 7.909 7.909 8.315 -0.406 19294 465 1 3 . 1 1 43 43 GLY N N 43 109.836 109.836 108.198 1.638 19294 466 1 3 . 1 1 43 43 GLY H H 43 8.413 8.413 7.616 0.797 19294 467 1 3 . 1 1 44 44 GLN N N 44 119.385 119.385 119.887 -0.502 19294 468 1 3 . 1 1 44 44 GLN H H 44 8.701 8.701 8.495 0.206 19294 469 1 3 . 1 1 45 45 GLN N N 45 117.945 117.945 118.400 -0.455 19294 470 1 3 . 1 1 45 45 GLN H H 45 8.701 8.701 8.049 0.652 19294 471 1 3 . 1 1 46 46 ARG N N 46 120.031 120.031 119.756 0.275 19294 472 1 3 . 1 1 46 46 ARG H H 46 7.508 7.508 8.495 -0.987 19294 473 1 3 . 1 1 47 47 PHE N N 47 114.942 114.942 118.541 -3.599 19294 474 1 3 . 1 1 47 47 PHE H H 47 8.192 8.192 7.578 0.614 19294 475 1 3 . 1 1 48 48 GLN N N 48 122.079 122.079 119.013 3.066 19294 476 1 3 . 1 1 48 48 GLN H H 48 7.952 7.952 8.081 -0.129 19294 477 1 3 . 1 1 49 49 GLN N N 49 117.512 117.512 119.764 -2.252 19294 478 1 3 . 1 1 49 49 GLN H H 49 7.873 7.873 7.849 0.024 19294 479 1 3 . 1 1 50 50 ILE N N 50 119.870 119.870 120.461 -0.591 19294 480 1 3 . 1 1 50 50 ILE H H 50 8.000 8.000 8.374 -0.374 19294 481 1 3 . 1 1 51 51 TYR N N 51 119.329 119.329 121.702 -2.373 19294 482 1 3 . 1 1 51 51 TYR H H 51 8.349 8.349 7.901 0.448 19294 483 1 3 . 1 1 52 52 TYR N N 52 114.638 114.638 115.945 -1.307 19294 484 1 3 . 1 1 52 52 TYR H H 52 8.042 8.042 8.023 0.019 19294 485 1 3 . 1 1 53 53 ALA N N 53 122.239 122.239 121.048 1.191 19294 486 1 3 . 1 1 53 53 ALA H H 53 8.332 8.332 7.669 0.663 19294 487 1 3 . 1 1 54 54 TYR N N 54 115.435 115.435 117.875 -2.440 19294 488 1 3 . 1 1 54 54 TYR H H 54 7.358 7.358 8.277 -0.919 19294 489 1 3 . 1 1 55 55 ARG N N 55 118.154 118.154 121.014 -2.860 19294 490 1 3 . 1 1 55 55 ARG H H 55 6.625 6.625 7.293 -0.668 19294 491 1 3 . 1 1 56 56 SER N N 56 110.807 110.807 113.024 -2.217 19294 492 1 3 . 1 1 56 56 SER H H 56 8.149 8.149 7.663 0.486 19294 493 1 3 . 1 1 57 57 VAL N N 57 120.648 120.648 119.299 1.349 19294 494 1 3 . 1 1 57 57 VAL H H 57 7.790 7.790 7.802 -0.012 19294 495 1 3 . 1 1 58 58 TRP N N 58 114.004 114.004 118.312 -4.308 19294 496 1 3 . 1 1 58 58 TRP H H 58 5.902 5.902 7.405 -1.503 19294 497 1 3 . 1 1 59 59 HIS N N 59 125.034 125.034 119.589 5.445 19294 498 1 3 . 1 1 59 59 HIS H H 59 8.658 8.658 8.370 0.288 19294 499 1 3 . 1 1 61 61 ALA N N 61 123.740 123.740 122.365 1.375 19294 500 1 3 . 1 1 61 61 ALA H H 61 8.220 8.220 8.185 0.035 19294 501 1 3 . 1 1 62 62 ARG N N 62 120.118 120.118 121.867 -1.749 19294 502 1 3 . 1 1 62 62 ARG H H 62 8.221 8.221 8.443 -0.222 19294 503 1 3 . 1 1 63 63 THR N N 63 114.028 114.028 112.302 1.726 19294 504 1 3 . 1 1 63 63 THR H H 63 6.860 6.860 7.392 -0.532 19294 505 1 3 . 1 1 64 64 VAL N N 64 120.498 120.498 123.371 -2.873 19294 506 1 3 . 1 1 64 64 VAL H H 64 8.104 8.104 7.999 0.105 19294 507 1 3 . 1 1 65 65 SER N N 65 113.818 113.818 114.151 -0.333 19294 508 1 3 . 1 1 65 65 SER H H 65 8.210 8.210 8.129 0.082 19294 509 1 3 . 1 1 66 66 GLN N N 66 119.304 119.304 122.437 -3.133 19294 510 1 3 . 1 1 66 66 GLN H H 66 7.471 7.471 7.464 0.007 19294 511 1 3 . 1 1 67 67 LEU N N 67 118.987 118.987 121.384 -2.397 19294 512 1 3 . 1 1 67 67 LEU H H 67 7.724 7.724 7.759 -0.035 19294 513 1 3 . 1 1 68 68 TYR N N 68 118.918 118.918 117.471 1.447 19294 514 1 3 . 1 1 68 68 TYR H H 68 7.560 7.560 8.126 -0.566 19294 515 1 3 . 1 1 69 69 ASP N N 69 119.021 119.021 120.741 -1.720 19294 516 1 3 . 1 1 69 69 ASP H H 69 8.611 8.611 7.650 0.961 19294 517 1 3 . 1 1 70 70 HIS N N 70 119.566 119.566 119.132 0.434 19294 518 1 3 . 1 1 70 70 HIS H H 70 8.217 8.217 7.699 0.518 19294 519 1 3 . 1 1 71 71 TRP N N 71 122.074 122.074 122.474 -0.400 19294 520 1 3 . 1 1 71 71 TRP H H 71 8.510 8.510 8.849 -0.339 19294 521 1 3 . 1 1 73 73 GLY N N 73 102.171 102.171 105.376 -3.205 19294 522 1 3 . 1 1 73 73 GLY H H 73 7.977 7.977 8.003 -0.026 19294 523 1 3 . 1 1 74 74 THR N N 74 112.306 112.306 113.941 -1.635 19294 524 1 3 . 1 1 74 74 THR H H 74 7.190 7.190 7.671 -0.481 19294 525 1 3 . 1 1 75 75 LEU N N 75 122.319 122.319 121.431 0.888 19294 526 1 3 . 1 1 75 75 LEU H H 75 7.735 7.735 7.415 0.320 19294 527 1 3 . 1 1 76 76 ARG N N 76 116.956 116.956 123.016 -6.060 19294 528 1 3 . 1 1 76 76 ARG H H 76 8.188 8.188 7.897 0.291 19294 529 1 3 . 1 1 80 80 ILE N N 80 122.069 122.069 122.204 -0.135 19294 530 1 3 . 1 1 80 80 ILE H H 80 7.862 7.862 8.241 -0.379 19294 531 1 3 . 1 1 81 81 GLN N N 81 122.536 122.536 120.317 2.219 19294 532 1 3 . 1 1 81 81 GLN H H 81 8.161 8.161 8.007 0.154 19294 533 1 3 . 1 1 83 83 GLN N N 83 120.732 120.732 122.686 -1.954 19294 534 1 3 . 1 1 83 83 GLN H H 83 8.342 8.342 8.517 -0.175 19294 535 1 3 . 1 1 84 84 GLY N N 84 109.358 109.358 108.705 0.653 19294 536 1 3 . 1 1 84 84 GLY H H 84 8.310 8.310 8.392 -0.082 19294 537 1 3 . 1 1 85 85 TYR N N 85 120.275 120.275 121.562 -1.287 19294 538 1 3 . 1 1 85 85 TYR H H 85 8.026 8.026 8.222 -0.196 19294 539 1 3 . 1 1 86 86 ARG N N 86 123.513 123.513 119.803 3.710 19294 540 1 3 . 1 1 86 86 ARG H H 86 8.217 8.217 8.404 -0.187 19294 541 1 3 . 1 1 87 87 GLY N N 87 108.952 108.952 112.082 -3.130 19294 542 1 3 . 1 1 87 87 GLY H H 87 7.760 7.760 8.479 -0.719 19294 543 1 3 . 1 1 88 88 LYS N N 88 120.704 120.704 119.857 0.847 19294 544 1 3 . 1 1 88 88 LYS H H 88 8.193 8.193 8.167 0.026 19294 545 1 3 . 1 1 89 89 ASN N N 89 119.295 119.295 119.237 0.058 19294 546 1 3 . 1 1 89 89 ASN H H 89 8.469 8.469 8.379 0.090 19294 547 1 3 . 1 1 90 90 SER N N 90 116.172 116.172 114.941 1.231 19294 548 1 3 . 1 1 90 90 SER H H 90 8.164 8.164 8.052 0.112 19294 549 1 3 . 1 1 91 91 VAL N N 91 121.404 121.404 122.704 -1.300 19294 550 1 3 . 1 1 91 91 VAL H H 91 8.076 8.076 8.326 -0.250 19294 551 1 3 . 1 1 92 92 ALA N N 92 127.063 127.063 122.263 4.800 19294 552 1 3 . 1 1 92 92 ALA H H 92 8.224 8.224 7.516 0.708 19294 553 1 3 . 1 1 93 93 ALA N N 93 123.146 123.146 123.498 -0.352 19294 554 1 3 . 1 1 93 93 ALA H H 93 8.128 8.128 8.352 -0.224 19294 555 1 3 . 1 1 94 94 ARG N N 94 120.040 120.040 121.718 -1.678 19294 556 1 3 . 1 1 94 94 ARG H H 94 8.178 8.178 8.698 -0.520 19294 557 1 3 . 1 1 95 95 SER N N 95 118.524 118.524 120.940 -2.416 19294 558 1 3 . 1 1 95 95 SER H H 95 8.325 8.325 8.439 -0.114 19294 559 1 3 . 1 1 97 97 GLU N N 97 120.828 120.828 121.137 -0.309 19294 560 1 3 . 1 1 97 97 GLU H H 97 8.481 8.481 8.436 0.045 19294 561 1 3 . 1 1 98 98 LYS N N 98 122.084 122.084 120.140 1.944 19294 562 1 3 . 1 1 98 98 LYS H H 98 8.211 8.211 8.358 -0.147 19294 563 1 3 . 1 1 99 99 ALA N N 99 125.318 125.318 122.119 3.199 19294 564 1 3 . 1 1 99 99 ALA H H 99 8.280 8.280 7.707 0.573 19294 565 1 3 . 1 1 100 100 SER N N 100 114.843 114.843 113.480 1.363 19294 566 1 3 . 1 1 100 100 SER H H 100 8.262 8.262 7.983 0.279 19294 567 1 3 . 1 1 101 101 ASN N N 101 120.169 120.169 121.489 -1.320 19294 568 1 3 . 1 1 101 101 ASN H H 101 8.260 8.260 8.217 0.043 19294 569 1 3 . 1 1 102 102 MET N N 102 120.309 120.309 119.384 0.925 19294 570 1 3 . 1 1 102 102 MET H H 102 8.262 8.262 8.429 -0.167 19294 571 1 3 . 1 1 103 103 GLU N N 103 121.199 121.199 119.275 1.924 19294 572 1 3 . 1 1 103 103 GLU H H 103 8.345 8.345 8.498 -0.153 19294 573 1 3 . 1 1 104 104 ASN N N 104 119.139 119.139 118.642 0.497 19294 574 1 3 . 1 1 104 104 ASN H H 104 8.385 8.385 8.194 0.191 19294 575 1 3 . 1 1 105 105 ASN N N 105 119.640 119.640 120.087 -0.447 19294 576 1 3 . 1 1 105 105 ASN H H 105 8.400 8.400 8.548 -0.148 19294 577 1 4 . 1 1 3 3 GLY N N 3 109.851 109.851 105.462 4.389 19294 578 1 4 . 1 1 3 3 GLY H H 3 8.585 8.585 8.460 0.125 19294 579 1 4 . 1 1 4 4 SER N N 4 115.542 115.542 114.442 1.100 19294 580 1 4 . 1 1 4 4 SER H H 4 8.129 8.129 7.757 0.372 19294 581 1 4 . 1 1 5 5 LEU N N 5 123.929 123.929 120.063 3.866 19294 582 1 4 . 1 1 5 5 LEU H H 5 8.315 8.315 8.389 -0.074 19294 583 1 4 . 1 1 6 6 SER N N 6 115.912 115.912 116.042 -0.130 19294 584 1 4 . 1 1 6 6 SER H H 6 8.191 8.191 8.115 0.076 19294 585 1 4 . 1 1 7 7 ASN N N 7 120.407 120.407 118.577 1.830 19294 586 1 4 . 1 1 7 7 ASN H H 7 8.400 8.400 8.636 -0.236 19294 587 1 4 . 1 1 8 8 PHE N N 8 120.059 120.059 122.031 -1.972 19294 588 1 4 . 1 1 8 8 PHE H H 8 8.083 8.083 8.748 -0.665 19294 589 1 4 . 1 1 9 9 ALA N N 9 124.325 124.325 124.390 -0.065 19294 590 1 4 . 1 1 9 9 ALA H H 9 8.072 8.072 8.137 -0.065 19294 591 1 4 . 1 1 10 10 ASN N N 10 117.559 117.559 117.982 -0.423 19294 592 1 4 . 1 1 10 10 ASN H H 10 8.237 8.237 8.522 -0.285 19294 593 1 4 . 1 1 11 11 VAL N N 11 119.391 119.391 123.804 -4.413 19294 594 1 4 . 1 1 11 11 VAL H H 11 7.949 7.949 8.438 -0.489 19294 595 1 4 . 1 1 12 12 GLY N N 12 112.124 112.124 108.117 4.007 19294 596 1 4 . 1 1 12 12 GLY H H 12 8.426 8.426 8.389 0.037 19294 597 1 4 . 1 1 13 13 VAL N N 13 118.978 118.978 119.088 -0.110 19294 598 1 4 . 1 1 13 13 VAL H H 13 7.980 7.980 8.279 -0.299 19294 599 1 4 . 1 1 14 14 GLY N N 14 112.259 112.259 109.594 2.665 19294 600 1 4 . 1 1 14 14 GLY H H 14 8.510 8.510 7.994 0.516 19294 601 1 4 . 1 1 15 15 THR N N 15 113.294 113.294 114.348 -1.054 19294 602 1 4 . 1 1 15 15 THR H H 15 8.058 8.058 7.954 0.104 19294 603 1 4 . 1 1 16 16 SER N N 16 118.015 118.015 118.433 -0.418 19294 604 1 4 . 1 1 16 16 SER H H 16 8.409 8.409 8.154 0.255 19294 605 1 4 . 1 1 17 17 SER N N 17 117.642 117.642 118.403 -0.761 19294 606 1 4 . 1 1 17 17 SER H H 17 8.336 8.336 8.105 0.231 19294 607 1 4 . 1 1 18 18 GLY N N 18 110.661 110.661 110.150 0.511 19294 608 1 4 . 1 1 18 18 GLY H H 18 8.369 8.369 8.718 -0.349 19294 609 1 4 . 1 1 19 19 LYS N N 19 120.510 120.510 121.807 -1.297 19294 610 1 4 . 1 1 19 19 LYS H H 19 8.105 8.105 7.894 0.211 19294 611 1 4 . 1 1 20 20 GLN N N 20 120.815 120.815 120.678 0.137 19294 612 1 4 . 1 1 20 20 GLN H H 20 8.255 8.255 8.614 -0.359 19294 613 1 4 . 1 1 21 21 LYS N N 21 123.190 123.190 123.648 -0.458 19294 614 1 4 . 1 1 21 21 LYS H H 21 8.235 8.235 8.671 -0.436 19294 615 1 4 . 1 1 22 22 ARG N N 22 122.038 122.038 120.275 1.763 19294 616 1 4 . 1 1 22 22 ARG H H 22 8.005 8.005 8.500 -0.495 19294 617 1 4 . 1 1 23 23 TYR N N 23 122.249 122.249 119.817 2.432 19294 618 1 4 . 1 1 23 23 TYR H H 23 8.332 8.332 8.220 0.112 19294 619 1 4 . 1 1 24 24 LYS N N 24 125.906 125.906 120.301 5.605 19294 620 1 4 . 1 1 24 24 LYS H H 24 8.591 8.591 7.913 0.678 19294 621 1 4 . 1 1 25 25 PHE N N 25 124.526 124.526 120.455 4.071 19294 622 1 4 . 1 1 25 25 PHE H H 25 8.875 8.875 7.888 0.987 19294 623 1 4 . 1 1 26 26 SER N N 26 121.585 121.585 121.611 -0.026 19294 624 1 4 . 1 1 26 26 SER H H 26 9.536 9.536 9.085 0.451 19294 625 1 4 . 1 1 27 27 ALA N N 27 124.035 124.035 125.549 -1.514 19294 626 1 4 . 1 1 27 27 ALA H H 27 9.042 9.042 9.033 0.009 19294 627 1 4 . 1 1 28 28 SER N N 28 112.803 112.803 113.433 -0.630 19294 628 1 4 . 1 1 28 28 SER H H 28 8.323 8.323 8.482 -0.159 19294 629 1 4 . 1 1 29 29 GLU N N 29 123.527 123.527 121.962 1.565 19294 630 1 4 . 1 1 29 29 GLU H H 29 7.860 7.860 8.480 -0.620 19294 631 1 4 . 1 1 30 30 ASP N N 30 120.194 120.194 119.706 0.488 19294 632 1 4 . 1 1 30 30 ASP H H 30 8.262 8.262 7.603 0.659 19294 633 1 4 . 1 1 31 31 GLU N N 31 117.806 117.806 119.505 -1.699 19294 634 1 4 . 1 1 31 31 GLU H H 31 8.179 8.179 8.174 0.005 19294 635 1 4 . 1 1 32 32 ALA N N 32 121.610 121.610 122.212 -0.602 19294 636 1 4 . 1 1 32 32 ALA H H 32 7.639 7.639 7.851 -0.212 19294 637 1 4 . 1 1 33 33 ILE N N 33 117.076 117.076 118.430 -1.354 19294 638 1 4 . 1 1 33 33 ILE H H 33 8.144 8.144 7.289 0.855 19294 639 1 4 . 1 1 34 34 ILE N N 34 118.607 118.607 117.121 1.486 19294 640 1 4 . 1 1 34 34 ILE H H 34 7.925 7.925 7.860 0.065 19294 641 1 4 . 1 1 35 35 LYS N N 35 120.394 120.394 120.626 -0.232 19294 642 1 4 . 1 1 35 35 LYS H H 35 8.578 8.578 7.909 0.669 19294 643 1 4 . 1 1 36 36 GLY N N 36 110.322 110.322 107.685 2.637 19294 644 1 4 . 1 1 36 36 GLY H H 36 8.866 8.866 8.240 0.626 19294 645 1 4 . 1 1 37 37 LEU N N 37 123.178 123.178 123.590 -0.412 19294 646 1 4 . 1 1 37 37 LEU H H 37 8.610 8.610 8.609 0.001 19294 647 1 4 . 1 1 38 38 ALA N N 38 117.618 117.618 120.173 -2.555 19294 648 1 4 . 1 1 38 38 ALA H H 38 7.016 7.016 7.831 -0.815 19294 649 1 4 . 1 1 39 39 ARG N N 39 118.101 118.101 115.460 2.641 19294 650 1 4 . 1 1 39 39 ARG H H 39 7.274 7.274 7.762 -0.488 19294 651 1 4 . 1 1 40 40 PHE N N 40 120.820 120.820 120.309 0.511 19294 652 1 4 . 1 1 40 40 PHE H H 40 8.317 8.317 7.586 0.731 19294 653 1 4 . 1 1 41 41 THR N N 41 111.784 111.784 112.600 -0.816 19294 654 1 4 . 1 1 41 41 THR H H 41 7.967 7.967 8.185 -0.218 19294 655 1 4 . 1 1 42 42 LYS N N 42 119.745 119.745 122.642 -2.897 19294 656 1 4 . 1 1 42 42 LYS H H 42 7.909 7.909 8.798 -0.889 19294 657 1 4 . 1 1 43 43 GLY N N 43 109.836 109.836 108.026 1.810 19294 658 1 4 . 1 1 43 43 GLY H H 43 8.413 8.413 7.521 0.892 19294 659 1 4 . 1 1 44 44 GLN N N 44 119.385 119.385 118.854 0.531 19294 660 1 4 . 1 1 44 44 GLN H H 44 8.701 8.701 8.474 0.227 19294 661 1 4 . 1 1 45 45 GLN N N 45 117.945 117.945 118.914 -0.969 19294 662 1 4 . 1 1 45 45 GLN H H 45 8.701 8.701 8.508 0.193 19294 663 1 4 . 1 1 46 46 ARG N N 46 120.031 120.031 119.379 0.652 19294 664 1 4 . 1 1 46 46 ARG H H 46 7.508 7.508 7.508 -0.000 19294 665 1 4 . 1 1 47 47 PHE N N 47 114.942 114.942 118.299 -3.357 19294 666 1 4 . 1 1 47 47 PHE H H 47 8.192 8.192 7.997 0.195 19294 667 1 4 . 1 1 48 48 GLN N N 48 122.079 122.079 118.653 3.426 19294 668 1 4 . 1 1 48 48 GLN H H 48 7.952 7.952 8.350 -0.398 19294 669 1 4 . 1 1 49 49 GLN N N 49 117.512 117.512 120.066 -2.554 19294 670 1 4 . 1 1 49 49 GLN H H 49 7.873 7.873 8.393 -0.520 19294 671 1 4 . 1 1 50 50 ILE N N 50 119.870 119.870 120.323 -0.453 19294 672 1 4 . 1 1 50 50 ILE H H 50 8.000 8.000 8.140 -0.140 19294 673 1 4 . 1 1 51 51 TYR N N 51 119.329 119.329 121.886 -2.557 19294 674 1 4 . 1 1 51 51 TYR H H 51 8.349 8.349 8.002 0.347 19294 675 1 4 . 1 1 52 52 TYR N N 52 114.638 114.638 116.546 -1.908 19294 676 1 4 . 1 1 52 52 TYR H H 52 8.042 8.042 7.832 0.210 19294 677 1 4 . 1 1 53 53 ALA N N 53 122.239 122.239 120.790 1.449 19294 678 1 4 . 1 1 53 53 ALA H H 53 8.332 8.332 7.583 0.749 19294 679 1 4 . 1 1 54 54 TYR N N 54 115.435 115.435 118.749 -3.314 19294 680 1 4 . 1 1 54 54 TYR H H 54 7.358 7.358 8.369 -1.011 19294 681 1 4 . 1 1 55 55 ARG N N 55 118.154 118.154 120.255 -2.101 19294 682 1 4 . 1 1 55 55 ARG H H 55 6.625 6.625 7.157 -0.532 19294 683 1 4 . 1 1 56 56 SER N N 56 110.807 110.807 114.652 -3.845 19294 684 1 4 . 1 1 56 56 SER H H 56 8.149 8.149 7.643 0.506 19294 685 1 4 . 1 1 57 57 VAL N N 57 120.648 120.648 119.976 0.672 19294 686 1 4 . 1 1 57 57 VAL H H 57 7.790 7.790 7.762 0.028 19294 687 1 4 . 1 1 58 58 TRP N N 58 114.004 114.004 119.895 -5.891 19294 688 1 4 . 1 1 58 58 TRP H H 58 5.902 5.902 7.325 -1.423 19294 689 1 4 . 1 1 59 59 HIS N N 59 125.034 125.034 117.576 7.458 19294 690 1 4 . 1 1 59 59 HIS H H 59 8.658 8.658 8.688 -0.030 19294 691 1 4 . 1 1 61 61 ALA N N 61 123.740 123.740 121.254 2.486 19294 692 1 4 . 1 1 61 61 ALA H H 61 8.220 8.220 8.343 -0.123 19294 693 1 4 . 1 1 62 62 ARG N N 62 120.118 120.118 118.537 1.581 19294 694 1 4 . 1 1 62 62 ARG H H 62 8.221 8.221 8.190 0.031 19294 695 1 4 . 1 1 63 63 THR N N 63 114.028 114.028 115.292 -1.264 19294 696 1 4 . 1 1 63 63 THR H H 63 6.860 6.860 7.934 -1.074 19294 697 1 4 . 1 1 64 64 VAL N N 64 120.498 120.498 122.095 -1.597 19294 698 1 4 . 1 1 64 64 VAL H H 64 8.104 8.104 8.225 -0.121 19294 699 1 4 . 1 1 65 65 SER N N 65 113.818 113.818 114.112 -0.294 19294 700 1 4 . 1 1 65 65 SER H H 65 8.210 8.210 8.185 0.025 19294 701 1 4 . 1 1 66 66 GLN N N 66 119.304 119.304 120.442 -1.138 19294 702 1 4 . 1 1 66 66 GLN H H 66 7.471 7.471 7.724 -0.253 19294 703 1 4 . 1 1 67 67 LEU N N 67 118.987 118.987 121.545 -2.558 19294 704 1 4 . 1 1 67 67 LEU H H 67 7.724 7.724 7.568 0.156 19294 705 1 4 . 1 1 68 68 TYR N N 68 118.918 118.918 117.464 1.454 19294 706 1 4 . 1 1 68 68 TYR H H 68 7.560 7.560 8.104 -0.544 19294 707 1 4 . 1 1 69 69 ASP N N 69 119.021 119.021 120.775 -1.754 19294 708 1 4 . 1 1 69 69 ASP H H 69 8.611 8.611 7.594 1.017 19294 709 1 4 . 1 1 70 70 HIS N N 70 119.566 119.566 118.493 1.073 19294 710 1 4 . 1 1 70 70 HIS H H 70 8.217 8.217 7.652 0.565 19294 711 1 4 . 1 1 71 71 TRP N N 71 122.074 122.074 122.556 -0.482 19294 712 1 4 . 1 1 71 71 TRP H H 71 8.510 8.510 8.782 -0.272 19294 713 1 4 . 1 1 73 73 GLY N N 73 102.171 102.171 104.790 -2.619 19294 714 1 4 . 1 1 73 73 GLY H H 73 7.977 7.977 7.792 0.185 19294 715 1 4 . 1 1 74 74 THR N N 74 112.306 112.306 115.505 -3.199 19294 716 1 4 . 1 1 74 74 THR H H 74 7.190 7.190 7.568 -0.378 19294 717 1 4 . 1 1 75 75 LEU N N 75 122.319 122.319 120.133 2.186 19294 718 1 4 . 1 1 75 75 LEU H H 75 7.735 7.735 7.431 0.304 19294 719 1 4 . 1 1 76 76 ARG N N 76 116.956 116.956 115.666 1.290 19294 720 1 4 . 1 1 76 76 ARG H H 76 8.188 8.188 6.921 1.267 19294 721 1 4 . 1 1 80 80 ILE N N 80 122.069 122.069 118.823 3.246 19294 722 1 4 . 1 1 80 80 ILE H H 80 7.862 7.862 7.654 0.208 19294 723 1 4 . 1 1 81 81 GLN N N 81 122.536 122.536 120.278 2.258 19294 724 1 4 . 1 1 81 81 GLN H H 81 8.161 8.161 8.791 -0.630 19294 725 1 4 . 1 1 83 83 GLN N N 83 120.732 120.732 115.186 5.546 19294 726 1 4 . 1 1 83 83 GLN H H 83 8.342 8.342 8.474 -0.132 19294 727 1 4 . 1 1 84 84 GLY N N 84 109.358 109.358 109.835 -0.477 19294 728 1 4 . 1 1 84 84 GLY H H 84 8.310 8.310 7.919 0.391 19294 729 1 4 . 1 1 85 85 TYR N N 85 120.275 120.275 122.269 -1.994 19294 730 1 4 . 1 1 85 85 TYR H H 85 8.026 8.026 8.500 -0.474 19294 731 1 4 . 1 1 86 86 ARG N N 86 123.513 123.513 122.110 1.403 19294 732 1 4 . 1 1 86 86 ARG H H 86 8.217 8.217 8.108 0.109 19294 733 1 4 . 1 1 87 87 GLY N N 87 108.952 108.952 111.066 -2.114 19294 734 1 4 . 1 1 87 87 GLY H H 87 7.760 7.760 8.335 -0.575 19294 735 1 4 . 1 1 88 88 LYS N N 88 120.704 120.704 117.739 2.965 19294 736 1 4 . 1 1 88 88 LYS H H 88 8.193 8.193 8.229 -0.036 19294 737 1 4 . 1 1 89 89 ASN N N 89 119.295 119.295 118.614 0.681 19294 738 1 4 . 1 1 89 89 ASN H H 89 8.469 8.469 8.176 0.293 19294 739 1 4 . 1 1 90 90 SER N N 90 116.172 116.172 116.128 0.044 19294 740 1 4 . 1 1 90 90 SER H H 90 8.164 8.164 8.548 -0.384 19294 741 1 4 . 1 1 91 91 VAL N N 91 121.404 121.404 122.541 -1.137 19294 742 1 4 . 1 1 91 91 VAL H H 91 8.076 8.076 7.909 0.167 19294 743 1 4 . 1 1 92 92 ALA N N 92 127.063 127.063 126.606 0.457 19294 744 1 4 . 1 1 92 92 ALA H H 92 8.224 8.224 8.241 -0.017 19294 745 1 4 . 1 1 93 93 ALA N N 93 123.146 123.146 122.793 0.353 19294 746 1 4 . 1 1 93 93 ALA H H 93 8.128 8.128 8.355 -0.227 19294 747 1 4 . 1 1 94 94 ARG N N 94 120.040 120.040 122.518 -2.478 19294 748 1 4 . 1 1 94 94 ARG H H 94 8.178 8.178 8.752 -0.574 19294 749 1 4 . 1 1 95 95 SER N N 95 118.524 118.524 118.325 0.199 19294 750 1 4 . 1 1 95 95 SER H H 95 8.325 8.325 7.835 0.490 19294 751 1 4 . 1 1 97 97 GLU N N 97 120.828 120.828 121.955 -1.127 19294 752 1 4 . 1 1 97 97 GLU H H 97 8.481 8.481 8.581 -0.100 19294 753 1 4 . 1 1 98 98 LYS N N 98 122.084 122.084 123.242 -1.158 19294 754 1 4 . 1 1 98 98 LYS H H 98 8.211 8.211 8.565 -0.354 19294 755 1 4 . 1 1 99 99 ALA N N 99 125.318 125.318 121.523 3.795 19294 756 1 4 . 1 1 99 99 ALA H H 99 8.280 8.280 8.082 0.198 19294 757 1 4 . 1 1 100 100 SER N N 100 114.843 114.843 116.107 -1.264 19294 758 1 4 . 1 1 100 100 SER H H 100 8.262 8.262 8.277 -0.015 19294 759 1 4 . 1 1 101 101 ASN N N 101 120.169 120.169 124.867 -4.698 19294 760 1 4 . 1 1 101 101 ASN H H 101 8.260 8.260 8.638 -0.378 19294 761 1 4 . 1 1 102 102 MET N N 102 120.309 120.309 119.961 0.348 19294 762 1 4 . 1 1 102 102 MET H H 102 8.262 8.262 7.918 0.344 19294 763 1 4 . 1 1 103 103 GLU N N 103 121.199 121.199 118.071 3.128 19294 764 1 4 . 1 1 103 103 GLU H H 103 8.345 8.345 8.888 -0.543 19294 765 1 4 . 1 1 104 104 ASN N N 104 119.139 119.139 122.038 -2.899 19294 766 1 4 . 1 1 104 104 ASN H H 104 8.385 8.385 8.390 -0.005 19294 767 1 4 . 1 1 105 105 ASN N N 105 119.640 119.640 120.051 -0.411 19294 768 1 4 . 1 1 105 105 ASN H H 105 8.400 8.400 8.587 -0.187 19294 769 1 5 . 1 1 3 3 GLY N N 3 109.851 109.851 108.229 1.622 19294 770 1 5 . 1 1 3 3 GLY H H 3 8.585 8.585 7.941 0.644 19294 771 1 5 . 1 1 4 4 SER N N 4 115.542 115.542 114.560 0.982 19294 772 1 5 . 1 1 4 4 SER H H 4 8.129 8.129 8.167 -0.038 19294 773 1 5 . 1 1 5 5 LEU N N 5 123.929 123.929 123.214 0.715 19294 774 1 5 . 1 1 5 5 LEU H H 5 8.315 8.315 8.685 -0.370 19294 775 1 5 . 1 1 6 6 SER N N 6 115.912 115.912 114.732 1.180 19294 776 1 5 . 1 1 6 6 SER H H 6 8.191 8.191 8.426 -0.235 19294 777 1 5 . 1 1 7 7 ASN N N 7 120.407 120.407 119.453 0.954 19294 778 1 5 . 1 1 7 7 ASN H H 7 8.400 8.400 8.189 0.211 19294 779 1 5 . 1 1 8 8 PHE N N 8 120.059 120.059 121.504 -1.445 19294 780 1 5 . 1 1 8 8 PHE H H 8 8.083 8.083 7.656 0.427 19294 781 1 5 . 1 1 9 9 ALA N N 9 124.325 124.325 122.942 1.383 19294 782 1 5 . 1 1 9 9 ALA H H 9 8.072 8.072 8.595 -0.523 19294 783 1 5 . 1 1 10 10 ASN N N 10 117.559 117.559 117.692 -0.133 19294 784 1 5 . 1 1 10 10 ASN H H 10 8.237 8.237 8.072 0.165 19294 785 1 5 . 1 1 11 11 VAL N N 11 119.391 119.391 118.478 0.913 19294 786 1 5 . 1 1 11 11 VAL H H 11 7.949 7.949 8.827 -0.878 19294 787 1 5 . 1 1 12 12 GLY N N 12 112.124 112.124 114.115 -1.991 19294 788 1 5 . 1 1 12 12 GLY H H 12 8.426 8.426 8.076 0.350 19294 789 1 5 . 1 1 13 13 VAL N N 13 118.978 118.978 119.861 -0.883 19294 790 1 5 . 1 1 13 13 VAL H H 13 7.980 7.980 8.211 -0.231 19294 791 1 5 . 1 1 14 14 GLY N N 14 112.259 112.259 112.870 -0.611 19294 792 1 5 . 1 1 14 14 GLY H H 14 8.510 8.510 8.741 -0.231 19294 793 1 5 . 1 1 15 15 THR N N 15 113.294 113.294 112.879 0.415 19294 794 1 5 . 1 1 15 15 THR H H 15 8.058 8.058 7.927 0.131 19294 795 1 5 . 1 1 16 16 SER N N 16 118.015 118.015 120.838 -2.823 19294 796 1 5 . 1 1 16 16 SER H H 16 8.409 8.409 8.450 -0.041 19294 797 1 5 . 1 1 17 17 SER N N 17 117.642 117.642 113.882 3.760 19294 798 1 5 . 1 1 17 17 SER H H 17 8.336 8.336 7.610 0.726 19294 799 1 5 . 1 1 18 18 GLY N N 18 110.661 110.661 109.798 0.863 19294 800 1 5 . 1 1 18 18 GLY H H 18 8.369 8.369 8.343 0.026 19294 801 1 5 . 1 1 19 19 LYS N N 19 120.510 120.510 119.691 0.819 19294 802 1 5 . 1 1 19 19 LYS H H 19 8.105 8.105 8.456 -0.351 19294 803 1 5 . 1 1 20 20 GLN N N 20 120.815 120.815 116.999 3.816 19294 804 1 5 . 1 1 20 20 GLN H H 20 8.255 8.255 7.844 0.411 19294 805 1 5 . 1 1 21 21 LYS N N 21 123.190 123.190 121.808 1.382 19294 806 1 5 . 1 1 21 21 LYS H H 21 8.235 8.235 8.199 0.036 19294 807 1 5 . 1 1 22 22 ARG N N 22 122.038 122.038 120.655 1.383 19294 808 1 5 . 1 1 22 22 ARG H H 22 8.005 8.005 8.881 -0.876 19294 809 1 5 . 1 1 23 23 TYR N N 23 122.249 122.249 118.778 3.471 19294 810 1 5 . 1 1 23 23 TYR H H 23 8.332 8.332 8.288 0.044 19294 811 1 5 . 1 1 24 24 LYS N N 24 125.906 125.906 118.577 7.329 19294 812 1 5 . 1 1 24 24 LYS H H 24 8.591 8.591 7.849 0.742 19294 813 1 5 . 1 1 25 25 PHE N N 25 124.526 124.526 122.456 2.070 19294 814 1 5 . 1 1 25 25 PHE H H 25 8.875 8.875 8.224 0.651 19294 815 1 5 . 1 1 26 26 SER N N 26 121.585 121.585 120.161 1.424 19294 816 1 5 . 1 1 26 26 SER H H 26 9.536 9.536 7.894 1.642 19294 817 1 5 . 1 1 27 27 ALA N N 27 124.035 124.035 123.215 0.820 19294 818 1 5 . 1 1 27 27 ALA H H 27 9.042 9.042 8.261 0.781 19294 819 1 5 . 1 1 28 28 SER N N 28 112.803 112.803 116.199 -3.396 19294 820 1 5 . 1 1 28 28 SER H H 28 8.323 8.323 8.412 -0.089 19294 821 1 5 . 1 1 29 29 GLU N N 29 123.527 123.527 120.263 3.264 19294 822 1 5 . 1 1 29 29 GLU H H 29 7.860 7.860 7.535 0.325 19294 823 1 5 . 1 1 30 30 ASP N N 30 120.194 120.194 119.708 0.486 19294 824 1 5 . 1 1 30 30 ASP H H 30 8.262 8.262 7.850 0.412 19294 825 1 5 . 1 1 31 31 GLU N N 31 117.806 117.806 119.046 -1.240 19294 826 1 5 . 1 1 31 31 GLU H H 31 8.179 8.179 7.578 0.601 19294 827 1 5 . 1 1 32 32 ALA N N 32 121.610 121.610 122.167 -0.557 19294 828 1 5 . 1 1 32 32 ALA H H 32 7.639 7.639 7.727 -0.088 19294 829 1 5 . 1 1 33 33 ILE N N 33 117.076 117.076 118.553 -1.477 19294 830 1 5 . 1 1 33 33 ILE H H 33 8.144 8.144 7.451 0.693 19294 831 1 5 . 1 1 34 34 ILE N N 34 118.607 118.607 117.922 0.685 19294 832 1 5 . 1 1 34 34 ILE H H 34 7.925 7.925 7.851 0.074 19294 833 1 5 . 1 1 35 35 LYS N N 35 120.394 120.394 120.839 -0.445 19294 834 1 5 . 1 1 35 35 LYS H H 35 8.578 8.578 7.943 0.635 19294 835 1 5 . 1 1 36 36 GLY N N 36 110.322 110.322 107.455 2.867 19294 836 1 5 . 1 1 36 36 GLY H H 36 8.866 8.866 7.946 0.920 19294 837 1 5 . 1 1 37 37 LEU N N 37 123.178 123.178 121.653 1.525 19294 838 1 5 . 1 1 37 37 LEU H H 37 8.610 8.610 8.332 0.278 19294 839 1 5 . 1 1 38 38 ALA N N 38 117.618 117.618 119.875 -2.257 19294 840 1 5 . 1 1 38 38 ALA H H 38 7.016 7.016 7.516 -0.500 19294 841 1 5 . 1 1 39 39 ARG N N 39 118.101 118.101 116.189 1.912 19294 842 1 5 . 1 1 39 39 ARG H H 39 7.274 7.274 7.446 -0.172 19294 843 1 5 . 1 1 40 40 PHE N N 40 120.820 120.820 120.726 0.094 19294 844 1 5 . 1 1 40 40 PHE H H 40 8.317 8.317 8.581 -0.264 19294 845 1 5 . 1 1 41 41 THR N N 41 111.784 111.784 115.123 -3.339 19294 846 1 5 . 1 1 41 41 THR H H 41 7.967 7.967 8.785 -0.818 19294 847 1 5 . 1 1 42 42 LYS N N 42 119.745 119.745 122.435 -2.690 19294 848 1 5 . 1 1 42 42 LYS H H 42 7.909 7.909 8.724 -0.815 19294 849 1 5 . 1 1 43 43 GLY N N 43 109.836 109.836 107.599 2.237 19294 850 1 5 . 1 1 43 43 GLY H H 43 8.413 8.413 7.595 0.818 19294 851 1 5 . 1 1 44 44 GLN N N 44 119.385 119.385 117.645 1.740 19294 852 1 5 . 1 1 44 44 GLN H H 44 8.701 8.701 8.374 0.327 19294 853 1 5 . 1 1 45 45 GLN N N 45 117.945 117.945 120.519 -2.574 19294 854 1 5 . 1 1 45 45 GLN H H 45 8.701 8.701 8.565 0.136 19294 855 1 5 . 1 1 46 46 ARG N N 46 120.031 120.031 120.705 -0.674 19294 856 1 5 . 1 1 46 46 ARG H H 46 7.508 7.508 8.135 -0.627 19294 857 1 5 . 1 1 47 47 PHE N N 47 114.942 114.942 116.854 -1.912 19294 858 1 5 . 1 1 47 47 PHE H H 47 8.192 8.192 7.683 0.509 19294 859 1 5 . 1 1 48 48 GLN N N 48 122.079 122.079 118.279 3.800 19294 860 1 5 . 1 1 48 48 GLN H H 48 7.952 7.952 7.959 -0.007 19294 861 1 5 . 1 1 49 49 GLN N N 49 117.512 117.512 119.804 -2.292 19294 862 1 5 . 1 1 49 49 GLN H H 49 7.873 7.873 7.807 0.066 19294 863 1 5 . 1 1 50 50 ILE N N 50 119.870 119.870 120.362 -0.492 19294 864 1 5 . 1 1 50 50 ILE H H 50 8.000 8.000 8.419 -0.419 19294 865 1 5 . 1 1 51 51 TYR N N 51 119.329 119.329 121.653 -2.324 19294 866 1 5 . 1 1 51 51 TYR H H 51 8.349 8.349 7.782 0.567 19294 867 1 5 . 1 1 52 52 TYR N N 52 114.638 114.638 117.221 -2.583 19294 868 1 5 . 1 1 52 52 TYR H H 52 8.042 8.042 7.701 0.341 19294 869 1 5 . 1 1 53 53 ALA N N 53 122.239 122.239 122.146 0.093 19294 870 1 5 . 1 1 53 53 ALA H H 53 8.332 8.332 7.911 0.421 19294 871 1 5 . 1 1 54 54 TYR N N 54 115.435 115.435 117.646 -2.211 19294 872 1 5 . 1 1 54 54 TYR H H 54 7.358 7.358 8.172 -0.814 19294 873 1 5 . 1 1 55 55 ARG N N 55 118.154 118.154 121.806 -3.652 19294 874 1 5 . 1 1 55 55 ARG H H 55 6.625 6.625 7.255 -0.630 19294 875 1 5 . 1 1 56 56 SER N N 56 110.807 110.807 117.412 -6.605 19294 876 1 5 . 1 1 56 56 SER H H 56 8.149 8.149 7.952 0.197 19294 877 1 5 . 1 1 57 57 VAL N N 57 120.648 120.648 123.388 -2.740 19294 878 1 5 . 1 1 57 57 VAL H H 57 7.790 7.790 7.021 0.769 19294 879 1 5 . 1 1 58 58 TRP N N 58 114.004 114.004 120.111 -6.107 19294 880 1 5 . 1 1 58 58 TRP H H 58 5.902 5.902 7.981 -2.079 19294 881 1 5 . 1 1 59 59 HIS N N 59 125.034 125.034 120.867 4.167 19294 882 1 5 . 1 1 59 59 HIS H H 59 8.658 8.658 8.622 0.036 19294 883 1 5 . 1 1 61 61 ALA N N 61 123.740 123.740 123.825 -0.085 19294 884 1 5 . 1 1 61 61 ALA H H 61 8.220 8.220 8.353 -0.133 19294 885 1 5 . 1 1 62 62 ARG N N 62 120.118 120.118 120.505 -0.387 19294 886 1 5 . 1 1 62 62 ARG H H 62 8.221 8.221 8.726 -0.505 19294 887 1 5 . 1 1 63 63 THR N N 63 114.028 114.028 117.681 -3.653 19294 888 1 5 . 1 1 63 63 THR H H 63 6.860 6.860 8.574 -1.714 19294 889 1 5 . 1 1 64 64 VAL N N 64 120.498 120.498 123.137 -2.639 19294 890 1 5 . 1 1 64 64 VAL H H 64 8.104 8.104 8.315 -0.211 19294 891 1 5 . 1 1 65 65 SER N N 65 113.818 113.818 114.028 -0.210 19294 892 1 5 . 1 1 65 65 SER H H 65 8.210 8.210 8.299 -0.089 19294 893 1 5 . 1 1 66 66 GLN N N 66 119.304 119.304 119.873 -0.569 19294 894 1 5 . 1 1 66 66 GLN H H 66 7.471 7.471 7.651 -0.180 19294 895 1 5 . 1 1 67 67 LEU N N 67 118.987 118.987 121.327 -2.340 19294 896 1 5 . 1 1 67 67 LEU H H 67 7.724 7.724 6.989 0.735 19294 897 1 5 . 1 1 68 68 TYR N N 68 118.918 118.918 117.285 1.633 19294 898 1 5 . 1 1 68 68 TYR H H 68 7.560 7.560 8.011 -0.451 19294 899 1 5 . 1 1 69 69 ASP N N 69 119.021 119.021 120.178 -1.157 19294 900 1 5 . 1 1 69 69 ASP H H 69 8.611 8.611 7.792 0.819 19294 901 1 5 . 1 1 70 70 HIS N N 70 119.566 119.566 116.367 3.199 19294 902 1 5 . 1 1 70 70 HIS H H 70 8.217 8.217 7.937 0.280 19294 903 1 5 . 1 1 71 71 TRP N N 71 122.074 122.074 123.521 -1.447 19294 904 1 5 . 1 1 71 71 TRP H H 71 8.510 8.510 8.518 -0.008 19294 905 1 5 . 1 1 73 73 GLY N N 73 102.171 102.171 106.182 -4.011 19294 906 1 5 . 1 1 73 73 GLY H H 73 7.977 7.977 7.976 0.001 19294 907 1 5 . 1 1 74 74 THR N N 74 112.306 112.306 116.269 -3.963 19294 908 1 5 . 1 1 74 74 THR H H 74 7.190 7.190 7.647 -0.457 19294 909 1 5 . 1 1 75 75 LEU N N 75 122.319 122.319 120.803 1.516 19294 910 1 5 . 1 1 75 75 LEU H H 75 7.735 7.735 7.229 0.506 19294 911 1 5 . 1 1 76 76 ARG N N 76 116.956 116.956 117.878 -0.922 19294 912 1 5 . 1 1 76 76 ARG H H 76 8.188 8.188 7.259 0.929 19294 913 1 5 . 1 1 80 80 ILE N N 80 122.069 122.069 122.290 -0.221 19294 914 1 5 . 1 1 80 80 ILE H H 80 7.862 7.862 8.074 -0.212 19294 915 1 5 . 1 1 81 81 GLN N N 81 122.536 122.536 124.676 -2.140 19294 916 1 5 . 1 1 81 81 GLN H H 81 8.161 8.161 8.401 -0.240 19294 917 1 5 . 1 1 83 83 GLN N N 83 120.732 120.732 120.531 0.201 19294 918 1 5 . 1 1 83 83 GLN H H 83 8.342 8.342 8.562 -0.220 19294 919 1 5 . 1 1 84 84 GLY N N 84 109.358 109.358 108.788 0.570 19294 920 1 5 . 1 1 84 84 GLY H H 84 8.310 8.310 8.486 -0.176 19294 921 1 5 . 1 1 85 85 TYR N N 85 120.275 120.275 120.067 0.208 19294 922 1 5 . 1 1 85 85 TYR H H 85 8.026 8.026 8.498 -0.472 19294 923 1 5 . 1 1 86 86 ARG N N 86 123.513 123.513 120.813 2.700 19294 924 1 5 . 1 1 86 86 ARG H H 86 8.217 8.217 7.902 0.315 19294 925 1 5 . 1 1 87 87 GLY N N 87 108.952 108.952 110.297 -1.345 19294 926 1 5 . 1 1 87 87 GLY H H 87 7.760 7.760 8.322 -0.562 19294 927 1 5 . 1 1 88 88 LYS N N 88 120.704 120.704 121.502 -0.798 19294 928 1 5 . 1 1 88 88 LYS H H 88 8.193 8.193 8.012 0.181 19294 929 1 5 . 1 1 89 89 ASN N N 89 119.295 119.295 119.862 -0.567 19294 930 1 5 . 1 1 89 89 ASN H H 89 8.469 8.469 8.030 0.439 19294 931 1 5 . 1 1 90 90 SER N N 90 116.172 116.172 115.420 0.752 19294 932 1 5 . 1 1 90 90 SER H H 90 8.164 8.164 8.411 -0.247 19294 933 1 5 . 1 1 91 91 VAL N N 91 121.404 121.404 117.827 3.577 19294 934 1 5 . 1 1 91 91 VAL H H 91 8.076 8.076 8.259 -0.183 19294 935 1 5 . 1 1 92 92 ALA N N 92 127.063 127.063 130.795 -3.732 19294 936 1 5 . 1 1 92 92 ALA H H 92 8.224 8.224 8.479 -0.255 19294 937 1 5 . 1 1 93 93 ALA N N 93 123.146 123.146 125.541 -2.395 19294 938 1 5 . 1 1 93 93 ALA H H 93 8.128 8.128 8.210 -0.082 19294 939 1 5 . 1 1 94 94 ARG N N 94 120.040 120.040 123.913 -3.873 19294 940 1 5 . 1 1 94 94 ARG H H 94 8.178 8.178 8.758 -0.580 19294 941 1 5 . 1 1 95 95 SER N N 95 118.524 118.524 114.235 4.289 19294 942 1 5 . 1 1 95 95 SER H H 95 8.325 8.325 8.242 0.083 19294 943 1 5 . 1 1 97 97 GLU N N 97 120.828 120.828 120.505 0.323 19294 944 1 5 . 1 1 97 97 GLU H H 97 8.481 8.481 8.171 0.310 19294 945 1 5 . 1 1 98 98 LYS N N 98 122.084 122.084 121.131 0.953 19294 946 1 5 . 1 1 98 98 LYS H H 98 8.211 8.211 8.563 -0.352 19294 947 1 5 . 1 1 99 99 ALA N N 99 125.318 125.318 126.254 -0.936 19294 948 1 5 . 1 1 99 99 ALA H H 99 8.280 8.280 8.640 -0.360 19294 949 1 5 . 1 1 100 100 SER N N 100 114.843 114.843 113.971 0.872 19294 950 1 5 . 1 1 100 100 SER H H 100 8.262 8.262 8.551 -0.289 19294 951 1 5 . 1 1 101 101 ASN N N 101 120.169 120.169 119.337 0.832 19294 952 1 5 . 1 1 101 101 ASN H H 101 8.260 8.260 7.939 0.321 19294 953 1 5 . 1 1 102 102 MET N N 102 120.309 120.309 118.355 1.954 19294 954 1 5 . 1 1 102 102 MET H H 102 8.262 8.262 8.235 0.027 19294 955 1 5 . 1 1 103 103 GLU N N 103 121.199 121.199 121.886 -0.687 19294 956 1 5 . 1 1 103 103 GLU H H 103 8.345 8.345 8.458 -0.113 19294 957 1 5 . 1 1 104 104 ASN N N 104 119.139 119.139 120.326 -1.187 19294 958 1 5 . 1 1 104 104 ASN H H 104 8.385 8.385 9.007 -0.622 19294 959 1 5 . 1 1 105 105 ASN N N 105 119.640 119.640 118.289 1.351 19294 960 1 5 . 1 1 105 105 ASN H H 105 8.400 8.400 8.860 -0.460 19294 961 1 6 . 1 1 3 3 GLY N N 3 109.851 109.851 111.901 -2.050 19294 962 1 6 . 1 1 3 3 GLY H H 3 8.585 8.585 8.149 0.436 19294 963 1 6 . 1 1 4 4 SER N N 4 115.542 115.542 116.788 -1.246 19294 964 1 6 . 1 1 4 4 SER H H 4 8.129 8.129 8.087 0.042 19294 965 1 6 . 1 1 5 5 LEU N N 5 123.929 123.929 123.731 0.198 19294 966 1 6 . 1 1 5 5 LEU H H 5 8.315 8.315 8.286 0.029 19294 967 1 6 . 1 1 6 6 SER N N 6 115.912 115.912 120.772 -4.860 19294 968 1 6 . 1 1 6 6 SER H H 6 8.191 8.191 8.487 -0.296 19294 969 1 6 . 1 1 7 7 ASN N N 7 120.407 120.407 121.466 -1.059 19294 970 1 6 . 1 1 7 7 ASN H H 7 8.400 8.400 8.515 -0.115 19294 971 1 6 . 1 1 8 8 PHE N N 8 120.059 120.059 118.734 1.325 19294 972 1 6 . 1 1 8 8 PHE H H 8 8.083 8.083 8.450 -0.367 19294 973 1 6 . 1 1 9 9 ALA N N 9 124.325 124.325 123.771 0.554 19294 974 1 6 . 1 1 9 9 ALA H H 9 8.072 8.072 8.355 -0.283 19294 975 1 6 . 1 1 10 10 ASN N N 10 117.559 117.559 117.925 -0.366 19294 976 1 6 . 1 1 10 10 ASN H H 10 8.237 8.237 8.429 -0.192 19294 977 1 6 . 1 1 11 11 VAL N N 11 119.391 119.391 118.391 1.000 19294 978 1 6 . 1 1 11 11 VAL H H 11 7.949 7.949 7.825 0.124 19294 979 1 6 . 1 1 12 12 GLY N N 12 112.124 112.124 116.179 -4.055 19294 980 1 6 . 1 1 12 12 GLY H H 12 8.426 8.426 8.593 -0.167 19294 981 1 6 . 1 1 13 13 VAL N N 13 118.978 118.978 122.900 -3.922 19294 982 1 6 . 1 1 13 13 VAL H H 13 7.980 7.980 7.952 0.028 19294 983 1 6 . 1 1 14 14 GLY N N 14 112.259 112.259 111.828 0.431 19294 984 1 6 . 1 1 14 14 GLY H H 14 8.510 8.510 8.579 -0.069 19294 985 1 6 . 1 1 15 15 THR N N 15 113.294 113.294 117.052 -3.758 19294 986 1 6 . 1 1 15 15 THR H H 15 8.058 8.058 8.111 -0.053 19294 987 1 6 . 1 1 16 16 SER N N 16 118.015 118.015 116.999 1.016 19294 988 1 6 . 1 1 16 16 SER H H 16 8.409 8.409 8.030 0.379 19294 989 1 6 . 1 1 17 17 SER N N 17 117.642 117.642 117.545 0.097 19294 990 1 6 . 1 1 17 17 SER H H 17 8.336 8.336 8.946 -0.610 19294 991 1 6 . 1 1 18 18 GLY N N 18 110.661 110.661 110.933 -0.272 19294 992 1 6 . 1 1 18 18 GLY H H 18 8.369 8.369 8.235 0.134 19294 993 1 6 . 1 1 19 19 LYS N N 19 120.510 120.510 119.107 1.403 19294 994 1 6 . 1 1 19 19 LYS H H 19 8.105 8.105 8.229 -0.124 19294 995 1 6 . 1 1 20 20 GLN N N 20 120.815 120.815 120.982 -0.167 19294 996 1 6 . 1 1 20 20 GLN H H 20 8.255 8.255 8.348 -0.093 19294 997 1 6 . 1 1 21 21 LYS N N 21 123.190 123.190 122.671 0.519 19294 998 1 6 . 1 1 21 21 LYS H H 21 8.235 8.235 8.593 -0.358 19294 999 1 6 . 1 1 22 22 ARG N N 22 122.038 122.038 122.260 -0.222 19294 1000 1 6 . 1 1 22 22 ARG H H 22 8.005 8.005 8.399 -0.394 19294 1001 1 6 . 1 1 23 23 TYR N N 23 122.249 122.249 117.961 4.288 19294 1002 1 6 . 1 1 23 23 TYR H H 23 8.332 8.332 8.144 0.188 19294 1003 1 6 . 1 1 24 24 LYS N N 24 125.906 125.906 120.853 5.053 19294 1004 1 6 . 1 1 24 24 LYS H H 24 8.591 8.591 8.442 0.149 19294 1005 1 6 . 1 1 25 25 PHE N N 25 124.526 124.526 123.055 1.471 19294 1006 1 6 . 1 1 25 25 PHE H H 25 8.875 8.875 8.683 0.192 19294 1007 1 6 . 1 1 26 26 SER N N 26 121.585 121.585 121.959 -0.374 19294 1008 1 6 . 1 1 26 26 SER H H 26 9.536 9.536 9.115 0.421 19294 1009 1 6 . 1 1 27 27 ALA N N 27 124.035 124.035 123.766 0.269 19294 1010 1 6 . 1 1 27 27 ALA H H 27 9.042 9.042 8.563 0.479 19294 1011 1 6 . 1 1 28 28 SER N N 28 112.803 112.803 116.231 -3.428 19294 1012 1 6 . 1 1 28 28 SER H H 28 8.323 8.323 8.373 -0.050 19294 1013 1 6 . 1 1 29 29 GLU N N 29 123.527 123.527 121.218 2.309 19294 1014 1 6 . 1 1 29 29 GLU H H 29 7.860 7.860 7.718 0.142 19294 1015 1 6 . 1 1 30 30 ASP N N 30 120.194 120.194 119.475 0.719 19294 1016 1 6 . 1 1 30 30 ASP H H 30 8.262 8.262 7.604 0.658 19294 1017 1 6 . 1 1 31 31 GLU N N 31 117.806 117.806 118.162 -0.356 19294 1018 1 6 . 1 1 31 31 GLU H H 31 8.179 8.179 7.624 0.555 19294 1019 1 6 . 1 1 32 32 ALA N N 32 121.610 121.610 122.093 -0.483 19294 1020 1 6 . 1 1 32 32 ALA H H 32 7.639 7.639 7.530 0.109 19294 1021 1 6 . 1 1 33 33 ILE N N 33 117.076 117.076 118.459 -1.383 19294 1022 1 6 . 1 1 33 33 ILE H H 33 8.144 8.144 7.289 0.855 19294 1023 1 6 . 1 1 34 34 ILE N N 34 118.607 118.607 117.977 0.630 19294 1024 1 6 . 1 1 34 34 ILE H H 34 7.925 7.925 8.103 -0.178 19294 1025 1 6 . 1 1 35 35 LYS N N 35 120.394 120.394 120.555 -0.161 19294 1026 1 6 . 1 1 35 35 LYS H H 35 8.578 8.578 7.847 0.731 19294 1027 1 6 . 1 1 36 36 GLY N N 36 110.322 110.322 107.821 2.501 19294 1028 1 6 . 1 1 36 36 GLY H H 36 8.866 8.866 7.833 1.033 19294 1029 1 6 . 1 1 37 37 LEU N N 37 123.178 123.178 120.940 2.238 19294 1030 1 6 . 1 1 37 37 LEU H H 37 8.610 8.610 7.945 0.665 19294 1031 1 6 . 1 1 38 38 ALA N N 38 117.618 117.618 119.255 -1.637 19294 1032 1 6 . 1 1 38 38 ALA H H 38 7.016 7.016 7.563 -0.547 19294 1033 1 6 . 1 1 39 39 ARG N N 39 118.101 118.101 117.334 0.767 19294 1034 1 6 . 1 1 39 39 ARG H H 39 7.274 7.274 7.325 -0.051 19294 1035 1 6 . 1 1 40 40 PHE N N 40 120.820 120.820 115.110 5.710 19294 1036 1 6 . 1 1 40 40 PHE H H 40 8.317 8.317 7.826 0.491 19294 1037 1 6 . 1 1 41 41 THR N N 41 111.784 111.784 116.114 -4.330 19294 1038 1 6 . 1 1 41 41 THR H H 41 7.967 7.967 8.621 -0.654 19294 1039 1 6 . 1 1 42 42 LYS N N 42 119.745 119.745 123.666 -3.921 19294 1040 1 6 . 1 1 42 42 LYS H H 42 7.909 7.909 8.264 -0.355 19294 1041 1 6 . 1 1 43 43 GLY N N 43 109.836 109.836 107.161 2.675 19294 1042 1 6 . 1 1 43 43 GLY H H 43 8.413 8.413 7.960 0.453 19294 1043 1 6 . 1 1 44 44 GLN N N 44 119.385 119.385 118.000 1.385 19294 1044 1 6 . 1 1 44 44 GLN H H 44 8.701 8.701 8.349 0.352 19294 1045 1 6 . 1 1 45 45 GLN N N 45 117.945 117.945 114.882 3.063 19294 1046 1 6 . 1 1 45 45 GLN H H 45 8.701 8.701 8.073 0.628 19294 1047 1 6 . 1 1 46 46 ARG N N 46 120.031 120.031 120.856 -0.825 19294 1048 1 6 . 1 1 46 46 ARG H H 46 7.508 7.508 7.880 -0.372 19294 1049 1 6 . 1 1 47 47 PHE N N 47 114.942 114.942 116.935 -1.993 19294 1050 1 6 . 1 1 47 47 PHE H H 47 8.192 8.192 7.377 0.815 19294 1051 1 6 . 1 1 48 48 GLN N N 48 122.079 122.079 118.447 3.632 19294 1052 1 6 . 1 1 48 48 GLN H H 48 7.952 7.952 8.033 -0.081 19294 1053 1 6 . 1 1 49 49 GLN N N 49 117.512 117.512 119.532 -2.020 19294 1054 1 6 . 1 1 49 49 GLN H H 49 7.873 7.873 7.908 -0.035 19294 1055 1 6 . 1 1 50 50 ILE N N 50 119.870 119.870 120.665 -0.795 19294 1056 1 6 . 1 1 50 50 ILE H H 50 8.000 8.000 8.776 -0.776 19294 1057 1 6 . 1 1 51 51 TYR N N 51 119.329 119.329 122.298 -2.969 19294 1058 1 6 . 1 1 51 51 TYR H H 51 8.349 8.349 7.993 0.356 19294 1059 1 6 . 1 1 52 52 TYR N N 52 114.638 114.638 115.989 -1.351 19294 1060 1 6 . 1 1 52 52 TYR H H 52 8.042 8.042 8.117 -0.075 19294 1061 1 6 . 1 1 53 53 ALA N N 53 122.239 122.239 122.777 -0.538 19294 1062 1 6 . 1 1 53 53 ALA H H 53 8.332 8.332 7.891 0.441 19294 1063 1 6 . 1 1 54 54 TYR N N 54 115.435 115.435 115.421 0.014 19294 1064 1 6 . 1 1 54 54 TYR H H 54 7.358 7.358 8.355 -0.997 19294 1065 1 6 . 1 1 55 55 ARG N N 55 118.154 118.154 121.836 -3.682 19294 1066 1 6 . 1 1 55 55 ARG H H 55 6.625 6.625 7.323 -0.698 19294 1067 1 6 . 1 1 56 56 SER N N 56 110.807 110.807 118.660 -7.853 19294 1068 1 6 . 1 1 56 56 SER H H 56 8.149 8.149 8.327 -0.178 19294 1069 1 6 . 1 1 57 57 VAL N N 57 120.648 120.648 118.900 1.748 19294 1070 1 6 . 1 1 57 57 VAL H H 57 7.790 7.790 7.700 0.090 19294 1071 1 6 . 1 1 58 58 TRP N N 58 114.004 114.004 120.257 -6.253 19294 1072 1 6 . 1 1 58 58 TRP H H 58 5.902 5.902 7.740 -1.838 19294 1073 1 6 . 1 1 59 59 HIS N N 59 125.034 125.034 122.999 2.035 19294 1074 1 6 . 1 1 59 59 HIS H H 59 8.658 8.658 8.302 0.356 19294 1075 1 6 . 1 1 61 61 ALA N N 61 123.740 123.740 125.363 -1.623 19294 1076 1 6 . 1 1 61 61 ALA H H 61 8.220 8.220 8.392 -0.172 19294 1077 1 6 . 1 1 62 62 ARG N N 62 120.118 120.118 117.852 2.266 19294 1078 1 6 . 1 1 62 62 ARG H H 62 8.221 8.221 7.604 0.617 19294 1079 1 6 . 1 1 63 63 THR N N 63 114.028 114.028 113.448 0.580 19294 1080 1 6 . 1 1 63 63 THR H H 63 6.860 6.860 8.193 -1.333 19294 1081 1 6 . 1 1 64 64 VAL N N 64 120.498 120.498 123.821 -3.323 19294 1082 1 6 . 1 1 64 64 VAL H H 64 8.104 8.104 8.432 -0.328 19294 1083 1 6 . 1 1 65 65 SER N N 65 113.818 113.818 114.470 -0.652 19294 1084 1 6 . 1 1 65 65 SER H H 65 8.210 8.210 8.172 0.038 19294 1085 1 6 . 1 1 66 66 GLN N N 66 119.304 119.304 120.582 -1.278 19294 1086 1 6 . 1 1 66 66 GLN H H 66 7.471 7.471 7.476 -0.005 19294 1087 1 6 . 1 1 67 67 LEU N N 67 118.987 118.987 121.577 -2.590 19294 1088 1 6 . 1 1 67 67 LEU H H 67 7.724 7.724 8.000 -0.276 19294 1089 1 6 . 1 1 68 68 TYR N N 68 118.918 118.918 117.401 1.517 19294 1090 1 6 . 1 1 68 68 TYR H H 68 7.560 7.560 8.147 -0.587 19294 1091 1 6 . 1 1 69 69 ASP N N 69 119.021 119.021 120.586 -1.565 19294 1092 1 6 . 1 1 69 69 ASP H H 69 8.611 8.611 7.585 1.026 19294 1093 1 6 . 1 1 70 70 HIS N N 70 119.566 119.566 118.279 1.287 19294 1094 1 6 . 1 1 70 70 HIS H H 70 8.217 8.217 7.587 0.630 19294 1095 1 6 . 1 1 71 71 TRP N N 71 122.074 122.074 122.240 -0.166 19294 1096 1 6 . 1 1 71 71 TRP H H 71 8.510 8.510 8.733 -0.223 19294 1097 1 6 . 1 1 73 73 GLY N N 73 102.171 102.171 105.721 -3.550 19294 1098 1 6 . 1 1 73 73 GLY H H 73 7.977 7.977 7.938 0.039 19294 1099 1 6 . 1 1 74 74 THR N N 74 112.306 112.306 113.166 -0.860 19294 1100 1 6 . 1 1 74 74 THR H H 74 7.190 7.190 7.500 -0.310 19294 1101 1 6 . 1 1 75 75 LEU N N 75 122.319 122.319 121.805 0.514 19294 1102 1 6 . 1 1 75 75 LEU H H 75 7.735 7.735 7.516 0.219 19294 1103 1 6 . 1 1 76 76 ARG N N 76 116.956 116.956 115.524 1.432 19294 1104 1 6 . 1 1 76 76 ARG H H 76 8.188 8.188 7.597 0.591 19294 1105 1 6 . 1 1 80 80 ILE N N 80 122.069 122.069 116.309 5.760 19294 1106 1 6 . 1 1 80 80 ILE H H 80 7.862 7.862 7.820 0.042 19294 1107 1 6 . 1 1 81 81 GLN N N 81 122.536 122.536 120.592 1.944 19294 1108 1 6 . 1 1 81 81 GLN H H 81 8.161 8.161 8.027 0.135 19294 1109 1 6 . 1 1 83 83 GLN N N 83 120.732 120.732 121.596 -0.864 19294 1110 1 6 . 1 1 83 83 GLN H H 83 8.342 8.342 8.208 0.134 19294 1111 1 6 . 1 1 84 84 GLY N N 84 109.358 109.358 111.182 -1.824 19294 1112 1 6 . 1 1 84 84 GLY H H 84 8.310 8.310 8.366 -0.056 19294 1113 1 6 . 1 1 85 85 TYR N N 85 120.275 120.275 121.389 -1.114 19294 1114 1 6 . 1 1 85 85 TYR H H 85 8.026 8.026 8.580 -0.554 19294 1115 1 6 . 1 1 86 86 ARG N N 86 123.513 123.513 120.291 3.222 19294 1116 1 6 . 1 1 86 86 ARG H H 86 8.217 8.217 8.419 -0.202 19294 1117 1 6 . 1 1 87 87 GLY N N 87 108.952 108.952 108.762 0.190 19294 1118 1 6 . 1 1 87 87 GLY H H 87 7.760 7.760 7.902 -0.142 19294 1119 1 6 . 1 1 88 88 LYS N N 88 120.704 120.704 120.013 0.691 19294 1120 1 6 . 1 1 88 88 LYS H H 88 8.193 8.193 8.192 0.001 19294 1121 1 6 . 1 1 89 89 ASN N N 89 119.295 119.295 117.577 1.718 19294 1122 1 6 . 1 1 89 89 ASN H H 89 8.469 8.469 8.520 -0.051 19294 1123 1 6 . 1 1 90 90 SER N N 90 116.172 116.172 114.594 1.578 19294 1124 1 6 . 1 1 90 90 SER H H 90 8.164 8.164 8.028 0.136 19294 1125 1 6 . 1 1 91 91 VAL N N 91 121.404 121.404 121.152 0.252 19294 1126 1 6 . 1 1 91 91 VAL H H 91 8.076 8.076 8.152 -0.076 19294 1127 1 6 . 1 1 92 92 ALA N N 92 127.063 127.063 127.263 -0.200 19294 1128 1 6 . 1 1 92 92 ALA H H 92 8.224 8.224 8.300 -0.076 19294 1129 1 6 . 1 1 93 93 ALA N N 93 123.146 123.146 125.456 -2.310 19294 1130 1 6 . 1 1 93 93 ALA H H 93 8.128 8.128 8.295 -0.167 19294 1131 1 6 . 1 1 94 94 ARG N N 94 120.040 120.040 119.871 0.169 19294 1132 1 6 . 1 1 94 94 ARG H H 94 8.178 8.178 8.558 -0.380 19294 1133 1 6 . 1 1 95 95 SER N N 95 118.524 118.524 117.034 1.490 19294 1134 1 6 . 1 1 95 95 SER H H 95 8.325 8.325 8.302 0.023 19294 1135 1 6 . 1 1 97 97 GLU N N 97 120.828 120.828 122.873 -2.045 19294 1136 1 6 . 1 1 97 97 GLU H H 97 8.481 8.481 8.223 0.258 19294 1137 1 6 . 1 1 98 98 LYS N N 98 122.084 122.084 122.693 -0.609 19294 1138 1 6 . 1 1 98 98 LYS H H 98 8.211 8.211 8.594 -0.383 19294 1139 1 6 . 1 1 99 99 ALA N N 99 125.318 125.318 125.467 -0.149 19294 1140 1 6 . 1 1 99 99 ALA H H 99 8.280 8.280 8.069 0.211 19294 1141 1 6 . 1 1 100 100 SER N N 100 114.843 114.843 115.555 -0.712 19294 1142 1 6 . 1 1 100 100 SER H H 100 8.262 8.262 8.506 -0.244 19294 1143 1 6 . 1 1 101 101 ASN N N 101 120.169 120.169 119.657 0.512 19294 1144 1 6 . 1 1 101 101 ASN H H 101 8.260 8.260 8.566 -0.306 19294 1145 1 6 . 1 1 102 102 MET N N 102 120.309 120.309 123.658 -3.349 19294 1146 1 6 . 1 1 102 102 MET H H 102 8.262 8.262 8.556 -0.294 19294 1147 1 6 . 1 1 103 103 GLU N N 103 121.199 121.199 119.823 1.376 19294 1148 1 6 . 1 1 103 103 GLU H H 103 8.345 8.345 8.222 0.123 19294 1149 1 6 . 1 1 104 104 ASN N N 104 119.139 119.139 116.676 2.463 19294 1150 1 6 . 1 1 104 104 ASN H H 104 8.385 8.385 8.688 -0.303 19294 1151 1 6 . 1 1 105 105 ASN N N 105 119.640 119.640 117.562 2.078 19294 1152 1 6 . 1 1 105 105 ASN H H 105 8.400 8.400 8.315 0.085 19294 1153 1 7 . 1 1 3 3 GLY N N 3 109.851 109.851 107.146 2.705 19294 1154 1 7 . 1 1 3 3 GLY H H 3 8.585 8.585 8.395 0.190 19294 1155 1 7 . 1 1 4 4 SER N N 4 115.542 115.542 115.313 0.229 19294 1156 1 7 . 1 1 4 4 SER H H 4 8.129 8.129 8.395 -0.266 19294 1157 1 7 . 1 1 5 5 LEU N N 5 123.929 123.929 122.958 0.971 19294 1158 1 7 . 1 1 5 5 LEU H H 5 8.315 8.315 8.478 -0.163 19294 1159 1 7 . 1 1 6 6 SER N N 6 115.912 115.912 116.279 -0.367 19294 1160 1 7 . 1 1 6 6 SER H H 6 8.191 8.191 8.587 -0.396 19294 1161 1 7 . 1 1 7 7 ASN N N 7 120.407 120.407 119.077 1.330 19294 1162 1 7 . 1 1 7 7 ASN H H 7 8.400 8.400 8.146 0.254 19294 1163 1 7 . 1 1 8 8 PHE N N 8 120.059 120.059 120.732 -0.673 19294 1164 1 7 . 1 1 8 8 PHE H H 8 8.083 8.083 8.286 -0.203 19294 1165 1 7 . 1 1 9 9 ALA N N 9 124.325 124.325 126.354 -2.029 19294 1166 1 7 . 1 1 9 9 ALA H H 9 8.072 8.072 7.218 0.854 19294 1167 1 7 . 1 1 10 10 ASN N N 10 117.559 117.559 120.751 -3.192 19294 1168 1 7 . 1 1 10 10 ASN H H 10 8.237 8.237 8.661 -0.424 19294 1169 1 7 . 1 1 11 11 VAL N N 11 119.391 119.391 118.922 0.469 19294 1170 1 7 . 1 1 11 11 VAL H H 11 7.949 7.949 7.461 0.488 19294 1171 1 7 . 1 1 12 12 GLY N N 12 112.124 112.124 110.329 1.795 19294 1172 1 7 . 1 1 12 12 GLY H H 12 8.426 8.426 7.780 0.646 19294 1173 1 7 . 1 1 13 13 VAL N N 13 118.978 118.978 117.739 1.239 19294 1174 1 7 . 1 1 13 13 VAL H H 13 7.980 7.980 8.447 -0.467 19294 1175 1 7 . 1 1 14 14 GLY N N 14 112.259 112.259 110.120 2.139 19294 1176 1 7 . 1 1 14 14 GLY H H 14 8.510 8.510 7.646 0.864 19294 1177 1 7 . 1 1 15 15 THR N N 15 113.294 113.294 112.007 1.287 19294 1178 1 7 . 1 1 15 15 THR H H 15 8.058 8.058 8.216 -0.158 19294 1179 1 7 . 1 1 16 16 SER N N 16 118.015 118.015 117.092 0.923 19294 1180 1 7 . 1 1 16 16 SER H H 16 8.409 8.409 7.954 0.455 19294 1181 1 7 . 1 1 17 17 SER N N 17 117.642 117.642 120.978 -3.336 19294 1182 1 7 . 1 1 17 17 SER H H 17 8.336 8.336 8.542 -0.206 19294 1183 1 7 . 1 1 18 18 GLY N N 18 110.661 110.661 111.521 -0.860 19294 1184 1 7 . 1 1 18 18 GLY H H 18 8.369 8.369 8.542 -0.173 19294 1185 1 7 . 1 1 19 19 LYS N N 19 120.510 120.510 123.543 -3.033 19294 1186 1 7 . 1 1 19 19 LYS H H 19 8.105 8.105 8.702 -0.597 19294 1187 1 7 . 1 1 20 20 GLN N N 20 120.815 120.815 117.268 3.547 19294 1188 1 7 . 1 1 20 20 GLN H H 20 8.255 8.255 8.199 0.056 19294 1189 1 7 . 1 1 21 21 LYS N N 21 123.190 123.190 120.593 2.597 19294 1190 1 7 . 1 1 21 21 LYS H H 21 8.235 8.235 8.361 -0.126 19294 1191 1 7 . 1 1 22 22 ARG N N 22 122.038 122.038 121.413 0.625 19294 1192 1 7 . 1 1 22 22 ARG H H 22 8.005 8.005 8.257 -0.252 19294 1193 1 7 . 1 1 23 23 TYR N N 23 122.249 122.249 124.240 -1.991 19294 1194 1 7 . 1 1 23 23 TYR H H 23 8.332 8.332 8.500 -0.168 19294 1195 1 7 . 1 1 24 24 LYS N N 24 125.906 125.906 120.855 5.051 19294 1196 1 7 . 1 1 24 24 LYS H H 24 8.591 8.591 8.085 0.506 19294 1197 1 7 . 1 1 25 25 PHE N N 25 124.526 124.526 121.901 2.625 19294 1198 1 7 . 1 1 25 25 PHE H H 25 8.875 8.875 8.274 0.601 19294 1199 1 7 . 1 1 26 26 SER N N 26 121.585 121.585 122.207 -0.622 19294 1200 1 7 . 1 1 26 26 SER H H 26 9.536 9.536 8.784 0.752 19294 1201 1 7 . 1 1 27 27 ALA N N 27 124.035 124.035 124.091 -0.056 19294 1202 1 7 . 1 1 27 27 ALA H H 27 9.042 9.042 8.894 0.148 19294 1203 1 7 . 1 1 28 28 SER N N 28 112.803 112.803 114.678 -1.875 19294 1204 1 7 . 1 1 28 28 SER H H 28 8.323 8.323 8.200 0.123 19294 1205 1 7 . 1 1 29 29 GLU N N 29 123.527 123.527 119.004 4.523 19294 1206 1 7 . 1 1 29 29 GLU H H 29 7.860 7.860 8.451 -0.591 19294 1207 1 7 . 1 1 30 30 ASP N N 30 120.194 120.194 120.145 0.049 19294 1208 1 7 . 1 1 30 30 ASP H H 30 8.262 8.262 7.949 0.313 19294 1209 1 7 . 1 1 31 31 GLU N N 31 117.806 117.806 119.592 -1.786 19294 1210 1 7 . 1 1 31 31 GLU H H 31 8.179 8.179 8.017 0.162 19294 1211 1 7 . 1 1 32 32 ALA N N 32 121.610 121.610 121.889 -0.279 19294 1212 1 7 . 1 1 32 32 ALA H H 32 7.639 7.639 7.425 0.214 19294 1213 1 7 . 1 1 33 33 ILE N N 33 117.076 117.076 118.439 -1.363 19294 1214 1 7 . 1 1 33 33 ILE H H 33 8.144 8.144 7.249 0.895 19294 1215 1 7 . 1 1 34 34 ILE N N 34 118.607 118.607 117.897 0.710 19294 1216 1 7 . 1 1 34 34 ILE H H 34 7.925 7.925 8.478 -0.553 19294 1217 1 7 . 1 1 35 35 LYS N N 35 120.394 120.394 120.910 -0.516 19294 1218 1 7 . 1 1 35 35 LYS H H 35 8.578 8.578 7.869 0.709 19294 1219 1 7 . 1 1 36 36 GLY N N 36 110.322 110.322 107.632 2.690 19294 1220 1 7 . 1 1 36 36 GLY H H 36 8.866 8.866 8.342 0.524 19294 1221 1 7 . 1 1 37 37 LEU N N 37 123.178 123.178 123.695 -0.517 19294 1222 1 7 . 1 1 37 37 LEU H H 37 8.610 8.610 8.444 0.166 19294 1223 1 7 . 1 1 38 38 ALA N N 38 117.618 117.618 120.713 -3.095 19294 1224 1 7 . 1 1 38 38 ALA H H 38 7.016 7.016 7.919 -0.903 19294 1225 1 7 . 1 1 39 39 ARG N N 39 118.101 118.101 115.468 2.633 19294 1226 1 7 . 1 1 39 39 ARG H H 39 7.274 7.274 7.488 -0.214 19294 1227 1 7 . 1 1 40 40 PHE N N 40 120.820 120.820 118.746 2.074 19294 1228 1 7 . 1 1 40 40 PHE H H 40 8.317 8.317 8.088 0.229 19294 1229 1 7 . 1 1 41 41 THR N N 41 111.784 111.784 112.758 -0.974 19294 1230 1 7 . 1 1 41 41 THR H H 41 7.967 7.967 7.936 0.031 19294 1231 1 7 . 1 1 42 42 LYS N N 42 119.745 119.745 122.778 -3.033 19294 1232 1 7 . 1 1 42 42 LYS H H 42 7.909 7.909 8.551 -0.642 19294 1233 1 7 . 1 1 43 43 GLY N N 43 109.836 109.836 108.958 0.878 19294 1234 1 7 . 1 1 43 43 GLY H H 43 8.413 8.413 7.670 0.743 19294 1235 1 7 . 1 1 44 44 GLN N N 44 119.385 119.385 116.960 2.425 19294 1236 1 7 . 1 1 44 44 GLN H H 44 8.701 8.701 8.106 0.595 19294 1237 1 7 . 1 1 45 45 GLN N N 45 117.945 117.945 117.666 0.279 19294 1238 1 7 . 1 1 45 45 GLN H H 45 8.701 8.701 7.852 0.849 19294 1239 1 7 . 1 1 46 46 ARG N N 46 120.031 120.031 120.186 -0.155 19294 1240 1 7 . 1 1 46 46 ARG H H 46 7.508 7.508 8.255 -0.747 19294 1241 1 7 . 1 1 47 47 PHE N N 47 114.942 114.942 119.951 -5.009 19294 1242 1 7 . 1 1 47 47 PHE H H 47 8.192 8.192 7.927 0.265 19294 1243 1 7 . 1 1 48 48 GLN N N 48 122.079 122.079 117.691 4.388 19294 1244 1 7 . 1 1 48 48 GLN H H 48 7.952 7.952 8.845 -0.893 19294 1245 1 7 . 1 1 49 49 GLN N N 49 117.512 117.512 120.023 -2.511 19294 1246 1 7 . 1 1 49 49 GLN H H 49 7.873 7.873 7.798 0.075 19294 1247 1 7 . 1 1 50 50 ILE N N 50 119.870 119.870 120.705 -0.835 19294 1248 1 7 . 1 1 50 50 ILE H H 50 8.000 8.000 8.433 -0.433 19294 1249 1 7 . 1 1 51 51 TYR N N 51 119.329 119.329 121.676 -2.347 19294 1250 1 7 . 1 1 51 51 TYR H H 51 8.349 8.349 8.192 0.157 19294 1251 1 7 . 1 1 52 52 TYR N N 52 114.638 114.638 116.442 -1.804 19294 1252 1 7 . 1 1 52 52 TYR H H 52 8.042 8.042 7.943 0.099 19294 1253 1 7 . 1 1 53 53 ALA N N 53 122.239 122.239 121.229 1.010 19294 1254 1 7 . 1 1 53 53 ALA H H 53 8.332 8.332 7.789 0.543 19294 1255 1 7 . 1 1 54 54 TYR N N 54 115.435 115.435 116.204 -0.769 19294 1256 1 7 . 1 1 54 54 TYR H H 54 7.358 7.358 8.107 -0.749 19294 1257 1 7 . 1 1 55 55 ARG N N 55 118.154 118.154 122.325 -4.171 19294 1258 1 7 . 1 1 55 55 ARG H H 55 6.625 6.625 7.239 -0.614 19294 1259 1 7 . 1 1 56 56 SER N N 56 110.807 110.807 118.855 -8.048 19294 1260 1 7 . 1 1 56 56 SER H H 56 8.149 8.149 8.526 -0.377 19294 1261 1 7 . 1 1 57 57 VAL N N 57 120.648 120.648 121.272 -0.624 19294 1262 1 7 . 1 1 57 57 VAL H H 57 7.790 7.790 7.721 0.069 19294 1263 1 7 . 1 1 58 58 TRP N N 58 114.004 114.004 119.478 -5.474 19294 1264 1 7 . 1 1 58 58 TRP H H 58 5.902 5.902 8.314 -2.412 19294 1265 1 7 . 1 1 59 59 HIS N N 59 125.034 125.034 115.003 10.031 19294 1266 1 7 . 1 1 59 59 HIS H H 59 8.658 8.658 8.004 0.654 19294 1267 1 7 . 1 1 61 61 ALA N N 61 123.740 123.740 125.460 -1.720 19294 1268 1 7 . 1 1 61 61 ALA H H 61 8.220 8.220 8.092 0.128 19294 1269 1 7 . 1 1 62 62 ARG N N 62 120.118 120.118 121.122 -1.004 19294 1270 1 7 . 1 1 62 62 ARG H H 62 8.221 8.221 8.644 -0.423 19294 1271 1 7 . 1 1 63 63 THR N N 63 114.028 114.028 118.187 -4.159 19294 1272 1 7 . 1 1 63 63 THR H H 63 6.860 6.860 8.465 -1.605 19294 1273 1 7 . 1 1 64 64 VAL N N 64 120.498 120.498 124.058 -3.560 19294 1274 1 7 . 1 1 64 64 VAL H H 64 8.104 8.104 8.374 -0.270 19294 1275 1 7 . 1 1 65 65 SER N N 65 113.818 113.818 115.290 -1.472 19294 1276 1 7 . 1 1 65 65 SER H H 65 8.210 8.210 8.209 0.001 19294 1277 1 7 . 1 1 66 66 GLN N N 66 119.304 119.304 120.716 -1.412 19294 1278 1 7 . 1 1 66 66 GLN H H 66 7.471 7.471 8.193 -0.722 19294 1279 1 7 . 1 1 67 67 LEU N N 67 118.987 118.987 121.523 -2.536 19294 1280 1 7 . 1 1 67 67 LEU H H 67 7.724 7.724 7.521 0.203 19294 1281 1 7 . 1 1 68 68 TYR N N 68 118.918 118.918 117.560 1.358 19294 1282 1 7 . 1 1 68 68 TYR H H 68 7.560 7.560 8.552 -0.992 19294 1283 1 7 . 1 1 69 69 ASP N N 69 119.021 119.021 120.285 -1.264 19294 1284 1 7 . 1 1 69 69 ASP H H 69 8.611 8.611 7.840 0.771 19294 1285 1 7 . 1 1 70 70 HIS N N 70 119.566 119.566 116.029 3.537 19294 1286 1 7 . 1 1 70 70 HIS H H 70 8.217 8.217 7.618 0.599 19294 1287 1 7 . 1 1 71 71 TRP N N 71 122.074 122.074 122.620 -0.546 19294 1288 1 7 . 1 1 71 71 TRP H H 71 8.510 8.510 8.153 0.357 19294 1289 1 7 . 1 1 73 73 GLY N N 73 102.171 102.171 105.612 -3.441 19294 1290 1 7 . 1 1 73 73 GLY H H 73 7.977 7.977 8.113 -0.136 19294 1291 1 7 . 1 1 74 74 THR N N 74 112.306 112.306 116.619 -4.313 19294 1292 1 7 . 1 1 74 74 THR H H 74 7.190 7.190 7.656 -0.466 19294 1293 1 7 . 1 1 75 75 LEU N N 75 122.319 122.319 120.233 2.086 19294 1294 1 7 . 1 1 75 75 LEU H H 75 7.735 7.735 7.816 -0.081 19294 1295 1 7 . 1 1 76 76 ARG N N 76 116.956 116.956 117.074 -0.118 19294 1296 1 7 . 1 1 76 76 ARG H H 76 8.188 8.188 7.444 0.744 19294 1297 1 7 . 1 1 80 80 ILE N N 80 122.069 122.069 122.403 -0.334 19294 1298 1 7 . 1 1 80 80 ILE H H 80 7.862 7.862 8.158 -0.296 19294 1299 1 7 . 1 1 81 81 GLN N N 81 122.536 122.536 123.269 -0.733 19294 1300 1 7 . 1 1 81 81 GLN H H 81 8.161 8.161 8.438 -0.277 19294 1301 1 7 . 1 1 83 83 GLN N N 83 120.732 120.732 119.738 0.994 19294 1302 1 7 . 1 1 83 83 GLN H H 83 8.342 8.342 8.343 -0.001 19294 1303 1 7 . 1 1 84 84 GLY N N 84 109.358 109.358 108.073 1.285 19294 1304 1 7 . 1 1 84 84 GLY H H 84 8.310 8.310 8.668 -0.358 19294 1305 1 7 . 1 1 85 85 TYR N N 85 120.275 120.275 119.188 1.087 19294 1306 1 7 . 1 1 85 85 TYR H H 85 8.026 8.026 8.136 -0.110 19294 1307 1 7 . 1 1 86 86 ARG N N 86 123.513 123.513 124.811 -1.298 19294 1308 1 7 . 1 1 86 86 ARG H H 86 8.217 8.217 8.240 -0.023 19294 1309 1 7 . 1 1 87 87 GLY N N 87 108.952 108.952 113.325 -4.373 19294 1310 1 7 . 1 1 87 87 GLY H H 87 7.760 7.760 8.604 -0.844 19294 1311 1 7 . 1 1 88 88 LYS N N 88 120.704 120.704 121.763 -1.059 19294 1312 1 7 . 1 1 88 88 LYS H H 88 8.193 8.193 8.124 0.068 19294 1313 1 7 . 1 1 89 89 ASN N N 89 119.295 119.295 121.908 -2.613 19294 1314 1 7 . 1 1 89 89 ASN H H 89 8.469 8.469 8.342 0.127 19294 1315 1 7 . 1 1 90 90 SER N N 90 116.172 116.172 115.365 0.807 19294 1316 1 7 . 1 1 90 90 SER H H 90 8.164 8.164 8.319 -0.155 19294 1317 1 7 . 1 1 91 91 VAL N N 91 121.404 121.404 125.271 -3.867 19294 1318 1 7 . 1 1 91 91 VAL H H 91 8.076 8.076 8.350 -0.274 19294 1319 1 7 . 1 1 92 92 ALA N N 92 127.063 127.063 122.659 4.404 19294 1320 1 7 . 1 1 92 92 ALA H H 92 8.224 8.224 7.810 0.414 19294 1321 1 7 . 1 1 93 93 ALA N N 93 123.146 123.146 125.042 -1.896 19294 1322 1 7 . 1 1 93 93 ALA H H 93 8.128 8.128 8.468 -0.340 19294 1323 1 7 . 1 1 94 94 ARG N N 94 120.040 120.040 120.036 0.004 19294 1324 1 7 . 1 1 94 94 ARG H H 94 8.178 8.178 8.634 -0.456 19294 1325 1 7 . 1 1 95 95 SER N N 95 118.524 118.524 114.495 4.029 19294 1326 1 7 . 1 1 95 95 SER H H 95 8.325 8.325 8.030 0.295 19294 1327 1 7 . 1 1 97 97 GLU N N 97 120.828 120.828 122.019 -1.191 19294 1328 1 7 . 1 1 97 97 GLU H H 97 8.481 8.481 8.258 0.223 19294 1329 1 7 . 1 1 98 98 LYS N N 98 122.084 122.084 119.266 2.818 19294 1330 1 7 . 1 1 98 98 LYS H H 98 8.211 8.211 8.313 -0.102 19294 1331 1 7 . 1 1 99 99 ALA N N 99 125.318 125.318 126.133 -0.815 19294 1332 1 7 . 1 1 99 99 ALA H H 99 8.280 8.280 8.239 0.041 19294 1333 1 7 . 1 1 100 100 SER N N 100 114.843 114.843 116.138 -1.295 19294 1334 1 7 . 1 1 100 100 SER H H 100 8.262 8.262 8.282 -0.020 19294 1335 1 7 . 1 1 101 101 ASN N N 101 120.169 120.169 123.216 -3.047 19294 1336 1 7 . 1 1 101 101 ASN H H 101 8.260 8.260 8.549 -0.289 19294 1337 1 7 . 1 1 102 102 MET N N 102 120.309 120.309 119.645 0.664 19294 1338 1 7 . 1 1 102 102 MET H H 102 8.262 8.262 8.407 -0.145 19294 1339 1 7 . 1 1 103 103 GLU N N 103 121.199 121.199 120.875 0.324 19294 1340 1 7 . 1 1 103 103 GLU H H 103 8.345 8.345 8.313 0.032 19294 1341 1 7 . 1 1 104 104 ASN N N 104 119.139 119.139 122.753 -3.614 19294 1342 1 7 . 1 1 104 104 ASN H H 104 8.385 8.385 8.630 -0.245 19294 1343 1 7 . 1 1 105 105 ASN N N 105 119.640 119.640 119.877 -0.237 19294 1344 1 7 . 1 1 105 105 ASN H H 105 8.400 8.400 8.514 -0.114 19294 1345 1 8 . 1 1 3 3 GLY N N 3 109.851 109.851 106.334 3.517 19294 1346 1 8 . 1 1 3 3 GLY H H 3 8.585 8.585 8.549 0.036 19294 1347 1 8 . 1 1 4 4 SER N N 4 115.542 115.542 115.596 -0.054 19294 1348 1 8 . 1 1 4 4 SER H H 4 8.129 8.129 8.409 -0.280 19294 1349 1 8 . 1 1 5 5 LEU N N 5 123.929 123.929 122.775 1.154 19294 1350 1 8 . 1 1 5 5 LEU H H 5 8.315 8.315 8.149 0.166 19294 1351 1 8 . 1 1 6 6 SER N N 6 115.912 115.912 118.218 -2.306 19294 1352 1 8 . 1 1 6 6 SER H H 6 8.191 8.191 8.432 -0.241 19294 1353 1 8 . 1 1 7 7 ASN N N 7 120.407 120.407 120.658 -0.251 19294 1354 1 8 . 1 1 7 7 ASN H H 7 8.400 8.400 8.445 -0.045 19294 1355 1 8 . 1 1 8 8 PHE N N 8 120.059 120.059 120.401 -0.342 19294 1356 1 8 . 1 1 8 8 PHE H H 8 8.083 8.083 7.935 0.148 19294 1357 1 8 . 1 1 9 9 ALA N N 9 124.325 124.325 124.589 -0.264 19294 1358 1 8 . 1 1 9 9 ALA H H 9 8.072 8.072 7.901 0.171 19294 1359 1 8 . 1 1 10 10 ASN N N 10 117.559 117.559 122.125 -4.566 19294 1360 1 8 . 1 1 10 10 ASN H H 10 8.237 8.237 8.596 -0.359 19294 1361 1 8 . 1 1 11 11 VAL N N 11 119.391 119.391 119.799 -0.408 19294 1362 1 8 . 1 1 11 11 VAL H H 11 7.949 7.949 8.550 -0.601 19294 1363 1 8 . 1 1 12 12 GLY N N 12 112.124 112.124 113.759 -1.635 19294 1364 1 8 . 1 1 12 12 GLY H H 12 8.426 8.426 8.295 0.131 19294 1365 1 8 . 1 1 13 13 VAL N N 13 118.978 118.978 119.783 -0.805 19294 1366 1 8 . 1 1 13 13 VAL H H 13 7.980 7.980 8.167 -0.187 19294 1367 1 8 . 1 1 14 14 GLY N N 14 112.259 112.259 108.317 3.942 19294 1368 1 8 . 1 1 14 14 GLY H H 14 8.510 8.510 7.915 0.595 19294 1369 1 8 . 1 1 15 15 THR N N 15 113.294 113.294 117.442 -4.148 19294 1370 1 8 . 1 1 15 15 THR H H 15 8.058 8.058 8.045 0.013 19294 1371 1 8 . 1 1 16 16 SER N N 16 118.015 118.015 119.761 -1.746 19294 1372 1 8 . 1 1 16 16 SER H H 16 8.409 8.409 8.365 0.044 19294 1373 1 8 . 1 1 17 17 SER N N 17 117.642 117.642 121.655 -4.013 19294 1374 1 8 . 1 1 17 17 SER H H 17 8.336 8.336 8.509 -0.173 19294 1375 1 8 . 1 1 18 18 GLY N N 18 110.661 110.661 109.528 1.133 19294 1376 1 8 . 1 1 18 18 GLY H H 18 8.369 8.369 7.672 0.697 19294 1377 1 8 . 1 1 19 19 LYS N N 19 120.510 120.510 119.487 1.023 19294 1378 1 8 . 1 1 19 19 LYS H H 19 8.105 8.105 8.487 -0.382 19294 1379 1 8 . 1 1 20 20 GLN N N 20 120.815 120.815 120.045 0.770 19294 1380 1 8 . 1 1 20 20 GLN H H 20 8.255 8.255 8.286 -0.031 19294 1381 1 8 . 1 1 21 21 LYS N N 21 123.190 123.190 120.096 3.094 19294 1382 1 8 . 1 1 21 21 LYS H H 21 8.235 8.235 8.651 -0.416 19294 1383 1 8 . 1 1 22 22 ARG N N 22 122.038 122.038 119.155 2.883 19294 1384 1 8 . 1 1 22 22 ARG H H 22 8.005 8.005 8.367 -0.362 19294 1385 1 8 . 1 1 23 23 TYR N N 23 122.249 122.249 117.587 4.662 19294 1386 1 8 . 1 1 23 23 TYR H H 23 8.332 8.332 7.493 0.839 19294 1387 1 8 . 1 1 24 24 LYS N N 24 125.906 125.906 119.704 6.202 19294 1388 1 8 . 1 1 24 24 LYS H H 24 8.591 8.591 6.710 1.881 19294 1389 1 8 . 1 1 25 25 PHE N N 25 124.526 124.526 119.200 5.326 19294 1390 1 8 . 1 1 25 25 PHE H H 25 8.875 8.875 8.488 0.387 19294 1391 1 8 . 1 1 26 26 SER N N 26 121.585 121.585 119.656 1.929 19294 1392 1 8 . 1 1 26 26 SER H H 26 9.536 9.536 8.823 0.713 19294 1393 1 8 . 1 1 27 27 ALA N N 27 124.035 124.035 123.538 0.497 19294 1394 1 8 . 1 1 27 27 ALA H H 27 9.042 9.042 8.519 0.523 19294 1395 1 8 . 1 1 28 28 SER N N 28 112.803 112.803 117.249 -4.446 19294 1396 1 8 . 1 1 28 28 SER H H 28 8.323 8.323 8.401 -0.078 19294 1397 1 8 . 1 1 29 29 GLU N N 29 123.527 123.527 120.233 3.294 19294 1398 1 8 . 1 1 29 29 GLU H H 29 7.860 7.860 7.509 0.351 19294 1399 1 8 . 1 1 30 30 ASP N N 30 120.194 120.194 120.773 -0.579 19294 1400 1 8 . 1 1 30 30 ASP H H 30 8.262 8.262 8.225 0.037 19294 1401 1 8 . 1 1 31 31 GLU N N 31 117.806 117.806 119.033 -1.227 19294 1402 1 8 . 1 1 31 31 GLU H H 31 8.179 8.179 8.370 -0.191 19294 1403 1 8 . 1 1 32 32 ALA N N 32 121.610 121.610 122.708 -1.098 19294 1404 1 8 . 1 1 32 32 ALA H H 32 7.639 7.639 7.141 0.498 19294 1405 1 8 . 1 1 33 33 ILE N N 33 117.076 117.076 118.749 -1.673 19294 1406 1 8 . 1 1 33 33 ILE H H 33 8.144 8.144 7.418 0.726 19294 1407 1 8 . 1 1 34 34 ILE N N 34 118.607 118.607 120.256 -1.649 19294 1408 1 8 . 1 1 34 34 ILE H H 34 7.925 7.925 7.814 0.111 19294 1409 1 8 . 1 1 35 35 LYS N N 35 120.394 120.394 119.682 0.712 19294 1410 1 8 . 1 1 35 35 LYS H H 35 8.578 8.578 7.997 0.581 19294 1411 1 8 . 1 1 36 36 GLY N N 36 110.322 110.322 107.588 2.734 19294 1412 1 8 . 1 1 36 36 GLY H H 36 8.866 8.866 8.011 0.855 19294 1413 1 8 . 1 1 37 37 LEU N N 37 123.178 123.178 122.251 0.927 19294 1414 1 8 . 1 1 37 37 LEU H H 37 8.610 8.610 8.344 0.266 19294 1415 1 8 . 1 1 38 38 ALA N N 38 117.618 117.618 119.705 -2.087 19294 1416 1 8 . 1 1 38 38 ALA H H 38 7.016 7.016 7.757 -0.741 19294 1417 1 8 . 1 1 39 39 ARG N N 39 118.101 118.101 115.660 2.441 19294 1418 1 8 . 1 1 39 39 ARG H H 39 7.274 7.274 7.503 -0.229 19294 1419 1 8 . 1 1 40 40 PHE N N 40 120.820 120.820 119.663 1.157 19294 1420 1 8 . 1 1 40 40 PHE H H 40 8.317 8.317 8.560 -0.243 19294 1421 1 8 . 1 1 41 41 THR N N 41 111.784 111.784 110.150 1.634 19294 1422 1 8 . 1 1 41 41 THR H H 41 7.967 7.967 8.284 -0.317 19294 1423 1 8 . 1 1 42 42 LYS N N 42 119.745 119.745 120.576 -0.831 19294 1424 1 8 . 1 1 42 42 LYS H H 42 7.909 7.909 8.251 -0.342 19294 1425 1 8 . 1 1 43 43 GLY N N 43 109.836 109.836 107.980 1.856 19294 1426 1 8 . 1 1 43 43 GLY H H 43 8.413 8.413 7.572 0.841 19294 1427 1 8 . 1 1 44 44 GLN N N 44 119.385 119.385 119.164 0.221 19294 1428 1 8 . 1 1 44 44 GLN H H 44 8.701 8.701 8.289 0.412 19294 1429 1 8 . 1 1 45 45 GLN N N 45 117.945 117.945 119.090 -1.145 19294 1430 1 8 . 1 1 45 45 GLN H H 45 8.701 8.701 8.169 0.532 19294 1431 1 8 . 1 1 46 46 ARG N N 46 120.031 120.031 119.913 0.118 19294 1432 1 8 . 1 1 46 46 ARG H H 46 7.508 7.508 8.462 -0.954 19294 1433 1 8 . 1 1 47 47 PHE N N 47 114.942 114.942 119.176 -4.234 19294 1434 1 8 . 1 1 47 47 PHE H H 47 8.192 8.192 7.588 0.604 19294 1435 1 8 . 1 1 48 48 GLN N N 48 122.079 122.079 118.667 3.412 19294 1436 1 8 . 1 1 48 48 GLN H H 48 7.952 7.952 7.938 0.014 19294 1437 1 8 . 1 1 49 49 GLN N N 49 117.512 117.512 119.292 -1.780 19294 1438 1 8 . 1 1 49 49 GLN H H 49 7.873 7.873 7.867 0.006 19294 1439 1 8 . 1 1 50 50 ILE N N 50 119.870 119.870 120.553 -0.683 19294 1440 1 8 . 1 1 50 50 ILE H H 50 8.000 8.000 8.402 -0.402 19294 1441 1 8 . 1 1 51 51 TYR N N 51 119.329 119.329 122.122 -2.793 19294 1442 1 8 . 1 1 51 51 TYR H H 51 8.349 8.349 7.878 0.471 19294 1443 1 8 . 1 1 52 52 TYR N N 52 114.638 114.638 114.917 -0.279 19294 1444 1 8 . 1 1 52 52 TYR H H 52 8.042 8.042 8.124 -0.082 19294 1445 1 8 . 1 1 53 53 ALA N N 53 122.239 122.239 122.827 -0.588 19294 1446 1 8 . 1 1 53 53 ALA H H 53 8.332 8.332 7.750 0.582 19294 1447 1 8 . 1 1 54 54 TYR N N 54 115.435 115.435 115.680 -0.245 19294 1448 1 8 . 1 1 54 54 TYR H H 54 7.358 7.358 8.443 -1.085 19294 1449 1 8 . 1 1 55 55 ARG N N 55 118.154 118.154 118.884 -0.730 19294 1450 1 8 . 1 1 55 55 ARG H H 55 6.625 6.625 7.119 -0.494 19294 1451 1 8 . 1 1 56 56 SER N N 56 110.807 110.807 113.756 -2.949 19294 1452 1 8 . 1 1 56 56 SER H H 56 8.149 8.149 7.287 0.862 19294 1453 1 8 . 1 1 57 57 VAL N N 57 120.648 120.648 120.544 0.104 19294 1454 1 8 . 1 1 57 57 VAL H H 57 7.790 7.790 8.148 -0.358 19294 1455 1 8 . 1 1 58 58 TRP N N 58 114.004 114.004 119.801 -5.797 19294 1456 1 8 . 1 1 58 58 TRP H H 58 5.902 5.902 7.613 -1.711 19294 1457 1 8 . 1 1 59 59 HIS N N 59 125.034 125.034 117.307 7.727 19294 1458 1 8 . 1 1 59 59 HIS H H 59 8.658 8.658 7.921 0.737 19294 1459 1 8 . 1 1 61 61 ALA N N 61 123.740 123.740 120.630 3.110 19294 1460 1 8 . 1 1 61 61 ALA H H 61 8.220 8.220 8.396 -0.176 19294 1461 1 8 . 1 1 62 62 ARG N N 62 120.118 120.118 119.072 1.046 19294 1462 1 8 . 1 1 62 62 ARG H H 62 8.221 8.221 8.414 -0.193 19294 1463 1 8 . 1 1 63 63 THR N N 63 114.028 114.028 118.062 -4.034 19294 1464 1 8 . 1 1 63 63 THR H H 63 6.860 6.860 8.181 -1.321 19294 1465 1 8 . 1 1 64 64 VAL N N 64 120.498 120.498 124.393 -3.895 19294 1466 1 8 . 1 1 64 64 VAL H H 64 8.104 8.104 7.731 0.373 19294 1467 1 8 . 1 1 65 65 SER N N 65 113.818 113.818 113.608 0.210 19294 1468 1 8 . 1 1 65 65 SER H H 65 8.210 8.210 8.221 -0.011 19294 1469 1 8 . 1 1 66 66 GLN N N 66 119.304 119.304 121.191 -1.887 19294 1470 1 8 . 1 1 66 66 GLN H H 66 7.471 7.471 7.660 -0.189 19294 1471 1 8 . 1 1 67 67 LEU N N 67 118.987 118.987 121.702 -2.715 19294 1472 1 8 . 1 1 67 67 LEU H H 67 7.724 7.724 7.818 -0.094 19294 1473 1 8 . 1 1 68 68 TYR N N 68 118.918 118.918 117.450 1.468 19294 1474 1 8 . 1 1 68 68 TYR H H 68 7.560 7.560 8.191 -0.631 19294 1475 1 8 . 1 1 69 69 ASP N N 69 119.021 119.021 120.804 -1.783 19294 1476 1 8 . 1 1 69 69 ASP H H 69 8.611 8.611 7.703 0.908 19294 1477 1 8 . 1 1 70 70 HIS N N 70 119.566 119.566 118.505 1.061 19294 1478 1 8 . 1 1 70 70 HIS H H 70 8.217 8.217 7.797 0.420 19294 1479 1 8 . 1 1 71 71 TRP N N 71 122.074 122.074 122.822 -0.748 19294 1480 1 8 . 1 1 71 71 TRP H H 71 8.510 8.510 8.862 -0.352 19294 1481 1 8 . 1 1 73 73 GLY N N 73 102.171 102.171 104.401 -2.230 19294 1482 1 8 . 1 1 73 73 GLY H H 73 7.977 7.977 7.984 -0.007 19294 1483 1 8 . 1 1 74 74 THR N N 74 112.306 112.306 115.982 -3.676 19294 1484 1 8 . 1 1 74 74 THR H H 74 7.190 7.190 7.598 -0.408 19294 1485 1 8 . 1 1 75 75 LEU N N 75 122.319 122.319 120.629 1.690 19294 1486 1 8 . 1 1 75 75 LEU H H 75 7.735 7.735 7.433 0.302 19294 1487 1 8 . 1 1 76 76 ARG N N 76 116.956 116.956 123.573 -6.617 19294 1488 1 8 . 1 1 76 76 ARG H H 76 8.188 8.188 8.132 0.056 19294 1489 1 8 . 1 1 80 80 ILE N N 80 122.069 122.069 123.575 -1.506 19294 1490 1 8 . 1 1 80 80 ILE H H 80 7.862 7.862 8.377 -0.515 19294 1491 1 8 . 1 1 81 81 GLN N N 81 122.536 122.536 125.966 -3.430 19294 1492 1 8 . 1 1 81 81 GLN H H 81 8.161 8.161 8.600 -0.439 19294 1493 1 8 . 1 1 83 83 GLN N N 83 120.732 120.732 122.086 -1.354 19294 1494 1 8 . 1 1 83 83 GLN H H 83 8.342 8.342 8.769 -0.427 19294 1495 1 8 . 1 1 84 84 GLY N N 84 109.358 109.358 107.965 1.393 19294 1496 1 8 . 1 1 84 84 GLY H H 84 8.310 8.310 8.142 0.168 19294 1497 1 8 . 1 1 85 85 TYR N N 85 120.275 120.275 119.242 1.033 19294 1498 1 8 . 1 1 85 85 TYR H H 85 8.026 8.026 8.433 -0.407 19294 1499 1 8 . 1 1 86 86 ARG N N 86 123.513 123.513 119.060 4.453 19294 1500 1 8 . 1 1 86 86 ARG H H 86 8.217 8.217 7.795 0.422 19294 1501 1 8 . 1 1 87 87 GLY N N 87 108.952 108.952 110.948 -1.996 19294 1502 1 8 . 1 1 87 87 GLY H H 87 7.760 7.760 8.593 -0.833 19294 1503 1 8 . 1 1 88 88 LYS N N 88 120.704 120.704 122.631 -1.927 19294 1504 1 8 . 1 1 88 88 LYS H H 88 8.193 8.193 8.066 0.128 19294 1505 1 8 . 1 1 89 89 ASN N N 89 119.295 119.295 123.258 -3.963 19294 1506 1 8 . 1 1 89 89 ASN H H 89 8.469 8.469 8.536 -0.067 19294 1507 1 8 . 1 1 90 90 SER N N 90 116.172 116.172 116.845 -0.673 19294 1508 1 8 . 1 1 90 90 SER H H 90 8.164 8.164 8.551 -0.387 19294 1509 1 8 . 1 1 91 91 VAL N N 91 121.404 121.404 118.310 3.094 19294 1510 1 8 . 1 1 91 91 VAL H H 91 8.076 8.076 7.477 0.599 19294 1511 1 8 . 1 1 92 92 ALA N N 92 127.063 127.063 128.875 -1.812 19294 1512 1 8 . 1 1 92 92 ALA H H 92 8.224 8.224 8.240 -0.016 19294 1513 1 8 . 1 1 93 93 ALA N N 93 123.146 123.146 122.180 0.966 19294 1514 1 8 . 1 1 93 93 ALA H H 93 8.128 8.128 8.751 -0.623 19294 1515 1 8 . 1 1 94 94 ARG N N 94 120.040 120.040 118.908 1.132 19294 1516 1 8 . 1 1 94 94 ARG H H 94 8.178 8.178 8.630 -0.452 19294 1517 1 8 . 1 1 95 95 SER N N 95 118.524 118.524 117.781 0.743 19294 1518 1 8 . 1 1 95 95 SER H H 95 8.325 8.325 8.258 0.067 19294 1519 1 8 . 1 1 97 97 GLU N N 97 120.828 120.828 122.053 -1.225 19294 1520 1 8 . 1 1 97 97 GLU H H 97 8.481 8.481 8.520 -0.039 19294 1521 1 8 . 1 1 98 98 LYS N N 98 122.084 122.084 122.975 -0.891 19294 1522 1 8 . 1 1 98 98 LYS H H 98 8.211 8.211 8.607 -0.396 19294 1523 1 8 . 1 1 99 99 ALA N N 99 125.318 125.318 127.405 -2.087 19294 1524 1 8 . 1 1 99 99 ALA H H 99 8.280 8.280 8.655 -0.375 19294 1525 1 8 . 1 1 100 100 SER N N 100 114.843 114.843 114.332 0.511 19294 1526 1 8 . 1 1 100 100 SER H H 100 8.262 8.262 8.413 -0.151 19294 1527 1 8 . 1 1 101 101 ASN N N 101 120.169 120.169 120.354 -0.185 19294 1528 1 8 . 1 1 101 101 ASN H H 101 8.260 8.260 8.659 -0.399 19294 1529 1 8 . 1 1 102 102 MET N N 102 120.309 120.309 120.670 -0.361 19294 1530 1 8 . 1 1 102 102 MET H H 102 8.262 8.262 8.027 0.235 19294 1531 1 8 . 1 1 103 103 GLU N N 103 121.199 121.199 120.364 0.835 19294 1532 1 8 . 1 1 103 103 GLU H H 103 8.345 8.345 8.449 -0.104 19294 1533 1 8 . 1 1 104 104 ASN N N 104 119.139 119.139 120.942 -1.803 19294 1534 1 8 . 1 1 104 104 ASN H H 104 8.385 8.385 8.461 -0.076 19294 1535 1 8 . 1 1 105 105 ASN N N 105 119.640 119.640 118.642 0.998 19294 1536 1 8 . 1 1 105 105 ASN H H 105 8.400 8.400 8.583 -0.183 19294 1537 1 9 . 1 1 3 3 GLY N N 3 109.851 109.851 111.769 -1.918 19294 1538 1 9 . 1 1 3 3 GLY H H 3 8.585 8.585 8.389 0.196 19294 1539 1 9 . 1 1 4 4 SER N N 4 115.542 115.542 113.607 1.935 19294 1540 1 9 . 1 1 4 4 SER H H 4 8.129 8.129 8.520 -0.391 19294 1541 1 9 . 1 1 5 5 LEU N N 5 123.929 123.929 122.196 1.733 19294 1542 1 9 . 1 1 5 5 LEU H H 5 8.315 8.315 7.694 0.621 19294 1543 1 9 . 1 1 6 6 SER N N 6 115.912 115.912 117.114 -1.202 19294 1544 1 9 . 1 1 6 6 SER H H 6 8.191 8.191 8.297 -0.106 19294 1545 1 9 . 1 1 7 7 ASN N N 7 120.407 120.407 120.937 -0.530 19294 1546 1 9 . 1 1 7 7 ASN H H 7 8.400 8.400 8.862 -0.462 19294 1547 1 9 . 1 1 8 8 PHE N N 8 120.059 120.059 120.064 -0.005 19294 1548 1 9 . 1 1 8 8 PHE H H 8 8.083 8.083 8.582 -0.499 19294 1549 1 9 . 1 1 9 9 ALA N N 9 124.325 124.325 130.189 -5.864 19294 1550 1 9 . 1 1 9 9 ALA H H 9 8.072 8.072 8.447 -0.375 19294 1551 1 9 . 1 1 10 10 ASN N N 10 117.559 117.559 120.003 -2.444 19294 1552 1 9 . 1 1 10 10 ASN H H 10 8.237 8.237 8.444 -0.207 19294 1553 1 9 . 1 1 11 11 VAL N N 11 119.391 119.391 121.819 -2.428 19294 1554 1 9 . 1 1 11 11 VAL H H 11 7.949 7.949 8.318 -0.369 19294 1555 1 9 . 1 1 12 12 GLY N N 12 112.124 112.124 116.207 -4.083 19294 1556 1 9 . 1 1 12 12 GLY H H 12 8.426 8.426 8.341 0.085 19294 1557 1 9 . 1 1 13 13 VAL N N 13 118.978 118.978 118.783 0.195 19294 1558 1 9 . 1 1 13 13 VAL H H 13 7.980 7.980 7.569 0.411 19294 1559 1 9 . 1 1 14 14 GLY N N 14 112.259 112.259 111.978 0.281 19294 1560 1 9 . 1 1 14 14 GLY H H 14 8.510 8.510 8.211 0.299 19294 1561 1 9 . 1 1 15 15 THR N N 15 113.294 113.294 116.714 -3.420 19294 1562 1 9 . 1 1 15 15 THR H H 15 8.058 8.058 8.114 -0.056 19294 1563 1 9 . 1 1 16 16 SER N N 16 118.015 118.015 121.680 -3.665 19294 1564 1 9 . 1 1 16 16 SER H H 16 8.409 8.409 8.279 0.130 19294 1565 1 9 . 1 1 17 17 SER N N 17 117.642 117.642 115.338 2.304 19294 1566 1 9 . 1 1 17 17 SER H H 17 8.336 8.336 8.608 -0.272 19294 1567 1 9 . 1 1 18 18 GLY N N 18 110.661 110.661 108.547 2.114 19294 1568 1 9 . 1 1 18 18 GLY H H 18 8.369 8.369 8.370 -0.001 19294 1569 1 9 . 1 1 19 19 LYS N N 19 120.510 120.510 121.793 -1.283 19294 1570 1 9 . 1 1 19 19 LYS H H 19 8.105 8.105 8.124 -0.019 19294 1571 1 9 . 1 1 20 20 GLN N N 20 120.815 120.815 120.564 0.251 19294 1572 1 9 . 1 1 20 20 GLN H H 20 8.255 8.255 8.367 -0.112 19294 1573 1 9 . 1 1 21 21 LYS N N 21 123.190 123.190 117.620 5.570 19294 1574 1 9 . 1 1 21 21 LYS H H 21 8.235 8.235 8.443 -0.208 19294 1575 1 9 . 1 1 22 22 ARG N N 22 122.038 122.038 118.814 3.224 19294 1576 1 9 . 1 1 22 22 ARG H H 22 8.005 8.005 8.411 -0.406 19294 1577 1 9 . 1 1 23 23 TYR N N 23 122.249 122.249 122.891 -0.642 19294 1578 1 9 . 1 1 23 23 TYR H H 23 8.332 8.332 8.608 -0.276 19294 1579 1 9 . 1 1 24 24 LYS N N 24 125.906 125.906 120.011 5.895 19294 1580 1 9 . 1 1 24 24 LYS H H 24 8.591 8.591 8.155 0.436 19294 1581 1 9 . 1 1 25 25 PHE N N 25 124.526 124.526 118.071 6.455 19294 1582 1 9 . 1 1 25 25 PHE H H 25 8.875 8.875 7.351 1.524 19294 1583 1 9 . 1 1 26 26 SER N N 26 121.585 121.585 122.384 -0.799 19294 1584 1 9 . 1 1 26 26 SER H H 26 9.536 9.536 8.707 0.829 19294 1585 1 9 . 1 1 27 27 ALA N N 27 124.035 124.035 122.922 1.113 19294 1586 1 9 . 1 1 27 27 ALA H H 27 9.042 9.042 8.913 0.129 19294 1587 1 9 . 1 1 28 28 SER N N 28 112.803 112.803 115.220 -2.417 19294 1588 1 9 . 1 1 28 28 SER H H 28 8.323 8.323 8.486 -0.163 19294 1589 1 9 . 1 1 29 29 GLU N N 29 123.527 123.527 118.313 5.214 19294 1590 1 9 . 1 1 29 29 GLU H H 29 7.860 7.860 7.873 -0.013 19294 1591 1 9 . 1 1 30 30 ASP N N 30 120.194 120.194 119.085 1.109 19294 1592 1 9 . 1 1 30 30 ASP H H 30 8.262 8.262 8.056 0.206 19294 1593 1 9 . 1 1 31 31 GLU N N 31 117.806 117.806 118.902 -1.096 19294 1594 1 9 . 1 1 31 31 GLU H H 31 8.179 8.179 8.143 0.036 19294 1595 1 9 . 1 1 32 32 ALA N N 32 121.610 121.610 121.646 -0.036 19294 1596 1 9 . 1 1 32 32 ALA H H 32 7.639 7.639 7.263 0.376 19294 1597 1 9 . 1 1 33 33 ILE N N 33 117.076 117.076 118.235 -1.159 19294 1598 1 9 . 1 1 33 33 ILE H H 33 8.144 8.144 7.128 1.016 19294 1599 1 9 . 1 1 34 34 ILE N N 34 118.607 118.607 117.206 1.401 19294 1600 1 9 . 1 1 34 34 ILE H H 34 7.925 7.925 8.150 -0.225 19294 1601 1 9 . 1 1 35 35 LYS N N 35 120.394 120.394 121.352 -0.958 19294 1602 1 9 . 1 1 35 35 LYS H H 35 8.578 8.578 7.915 0.663 19294 1603 1 9 . 1 1 36 36 GLY N N 36 110.322 110.322 106.821 3.501 19294 1604 1 9 . 1 1 36 36 GLY H H 36 8.866 8.866 7.787 1.079 19294 1605 1 9 . 1 1 37 37 LEU N N 37 123.178 123.178 121.796 1.382 19294 1606 1 9 . 1 1 37 37 LEU H H 37 8.610 8.610 7.833 0.777 19294 1607 1 9 . 1 1 38 38 ALA N N 38 117.618 117.618 117.164 0.454 19294 1608 1 9 . 1 1 38 38 ALA H H 38 7.016 7.016 7.714 -0.698 19294 1609 1 9 . 1 1 39 39 ARG N N 39 118.101 118.101 116.376 1.725 19294 1610 1 9 . 1 1 39 39 ARG H H 39 7.274 7.274 7.557 -0.283 19294 1611 1 9 . 1 1 40 40 PHE N N 40 120.820 120.820 116.649 4.171 19294 1612 1 9 . 1 1 40 40 PHE H H 40 8.317 8.317 7.541 0.776 19294 1613 1 9 . 1 1 41 41 THR N N 41 111.784 111.784 112.591 -0.807 19294 1614 1 9 . 1 1 41 41 THR H H 41 7.967 7.967 8.155 -0.188 19294 1615 1 9 . 1 1 42 42 LYS N N 42 119.745 119.745 122.449 -2.704 19294 1616 1 9 . 1 1 42 42 LYS H H 42 7.909 7.909 8.720 -0.811 19294 1617 1 9 . 1 1 43 43 GLY N N 43 109.836 109.836 108.335 1.501 19294 1618 1 9 . 1 1 43 43 GLY H H 43 8.413 8.413 7.499 0.914 19294 1619 1 9 . 1 1 44 44 GLN N N 44 119.385 119.385 118.608 0.777 19294 1620 1 9 . 1 1 44 44 GLN H H 44 8.701 8.701 8.304 0.397 19294 1621 1 9 . 1 1 45 45 GLN N N 45 117.945 117.945 118.135 -0.190 19294 1622 1 9 . 1 1 45 45 GLN H H 45 8.701 8.701 8.145 0.556 19294 1623 1 9 . 1 1 46 46 ARG N N 46 120.031 120.031 119.823 0.208 19294 1624 1 9 . 1 1 46 46 ARG H H 46 7.508 7.508 8.514 -1.006 19294 1625 1 9 . 1 1 47 47 PHE N N 47 114.942 114.942 117.849 -2.907 19294 1626 1 9 . 1 1 47 47 PHE H H 47 8.192 8.192 8.238 -0.046 19294 1627 1 9 . 1 1 48 48 GLN N N 48 122.079 122.079 117.344 4.735 19294 1628 1 9 . 1 1 48 48 GLN H H 48 7.952 7.952 8.841 -0.889 19294 1629 1 9 . 1 1 49 49 GLN N N 49 117.512 117.512 119.706 -2.194 19294 1630 1 9 . 1 1 49 49 GLN H H 49 7.873 7.873 7.912 -0.039 19294 1631 1 9 . 1 1 50 50 ILE N N 50 119.870 119.870 120.010 -0.140 19294 1632 1 9 . 1 1 50 50 ILE H H 50 8.000 8.000 8.656 -0.656 19294 1633 1 9 . 1 1 51 51 TYR N N 51 119.329 119.329 121.831 -2.502 19294 1634 1 9 . 1 1 51 51 TYR H H 51 8.349 8.349 8.092 0.257 19294 1635 1 9 . 1 1 52 52 TYR N N 52 114.638 114.638 116.199 -1.561 19294 1636 1 9 . 1 1 52 52 TYR H H 52 8.042 8.042 7.967 0.075 19294 1637 1 9 . 1 1 53 53 ALA N N 53 122.239 122.239 121.707 0.532 19294 1638 1 9 . 1 1 53 53 ALA H H 53 8.332 8.332 7.704 0.628 19294 1639 1 9 . 1 1 54 54 TYR N N 54 115.435 115.435 119.254 -3.819 19294 1640 1 9 . 1 1 54 54 TYR H H 54 7.358 7.358 8.817 -1.459 19294 1641 1 9 . 1 1 55 55 ARG N N 55 118.154 118.154 121.968 -3.814 19294 1642 1 9 . 1 1 55 55 ARG H H 55 6.625 6.625 7.460 -0.835 19294 1643 1 9 . 1 1 56 56 SER N N 56 110.807 110.807 115.012 -4.205 19294 1644 1 9 . 1 1 56 56 SER H H 56 8.149 8.149 7.679 0.470 19294 1645 1 9 . 1 1 57 57 VAL N N 57 120.648 120.648 119.193 1.455 19294 1646 1 9 . 1 1 57 57 VAL H H 57 7.790 7.790 7.930 -0.140 19294 1647 1 9 . 1 1 58 58 TRP N N 58 114.004 114.004 120.455 -6.451 19294 1648 1 9 . 1 1 58 58 TRP H H 58 5.902 5.902 7.779 -1.877 19294 1649 1 9 . 1 1 59 59 HIS N N 59 125.034 125.034 122.038 2.996 19294 1650 1 9 . 1 1 59 59 HIS H H 59 8.658 8.658 8.209 0.449 19294 1651 1 9 . 1 1 61 61 ALA N N 61 123.740 123.740 123.462 0.278 19294 1652 1 9 . 1 1 61 61 ALA H H 61 8.220 8.220 7.731 0.489 19294 1653 1 9 . 1 1 62 62 ARG N N 62 120.118 120.118 119.600 0.518 19294 1654 1 9 . 1 1 62 62 ARG H H 62 8.221 8.221 8.476 -0.255 19294 1655 1 9 . 1 1 63 63 THR N N 63 114.028 114.028 115.611 -1.583 19294 1656 1 9 . 1 1 63 63 THR H H 63 6.860 6.860 8.443 -1.583 19294 1657 1 9 . 1 1 64 64 VAL N N 64 120.498 120.498 123.086 -2.588 19294 1658 1 9 . 1 1 64 64 VAL H H 64 8.104 8.104 8.151 -0.047 19294 1659 1 9 . 1 1 65 65 SER N N 65 113.818 113.818 114.430 -0.612 19294 1660 1 9 . 1 1 65 65 SER H H 65 8.210 8.210 7.991 0.219 19294 1661 1 9 . 1 1 66 66 GLN N N 66 119.304 119.304 120.962 -1.658 19294 1662 1 9 . 1 1 66 66 GLN H H 66 7.471 7.471 7.329 0.142 19294 1663 1 9 . 1 1 67 67 LEU N N 67 118.987 118.987 121.541 -2.554 19294 1664 1 9 . 1 1 67 67 LEU H H 67 7.724 7.724 7.715 0.009 19294 1665 1 9 . 1 1 68 68 TYR N N 68 118.918 118.918 117.379 1.539 19294 1666 1 9 . 1 1 68 68 TYR H H 68 7.560 7.560 8.234 -0.674 19294 1667 1 9 . 1 1 69 69 ASP N N 69 119.021 119.021 120.177 -1.156 19294 1668 1 9 . 1 1 69 69 ASP H H 69 8.611 8.611 7.707 0.904 19294 1669 1 9 . 1 1 70 70 HIS N N 70 119.566 119.566 115.269 4.297 19294 1670 1 9 . 1 1 70 70 HIS H H 70 8.217 8.217 7.781 0.436 19294 1671 1 9 . 1 1 71 71 TRP N N 71 122.074 122.074 123.131 -1.057 19294 1672 1 9 . 1 1 71 71 TRP H H 71 8.510 8.510 8.402 0.108 19294 1673 1 9 . 1 1 73 73 GLY N N 73 102.171 102.171 105.736 -3.565 19294 1674 1 9 . 1 1 73 73 GLY H H 73 7.977 7.977 7.988 -0.011 19294 1675 1 9 . 1 1 74 74 THR N N 74 112.306 112.306 113.395 -1.089 19294 1676 1 9 . 1 1 74 74 THR H H 74 7.190 7.190 7.603 -0.413 19294 1677 1 9 . 1 1 75 75 LEU N N 75 122.319 122.319 122.015 0.304 19294 1678 1 9 . 1 1 75 75 LEU H H 75 7.735 7.735 7.843 -0.108 19294 1679 1 9 . 1 1 76 76 ARG N N 76 116.956 116.956 119.040 -2.084 19294 1680 1 9 . 1 1 76 76 ARG H H 76 8.188 8.188 7.394 0.794 19294 1681 1 9 . 1 1 80 80 ILE N N 80 122.069 122.069 119.243 2.826 19294 1682 1 9 . 1 1 80 80 ILE H H 80 7.862 7.862 7.521 0.341 19294 1683 1 9 . 1 1 81 81 GLN N N 81 122.536 122.536 125.891 -3.355 19294 1684 1 9 . 1 1 81 81 GLN H H 81 8.161 8.161 8.536 -0.375 19294 1685 1 9 . 1 1 83 83 GLN N N 83 120.732 120.732 122.233 -1.501 19294 1686 1 9 . 1 1 83 83 GLN H H 83 8.342 8.342 8.524 -0.182 19294 1687 1 9 . 1 1 84 84 GLY N N 84 109.358 109.358 109.943 -0.585 19294 1688 1 9 . 1 1 84 84 GLY H H 84 8.310 8.310 8.556 -0.246 19294 1689 1 9 . 1 1 85 85 TYR N N 85 120.275 120.275 118.329 1.946 19294 1690 1 9 . 1 1 85 85 TYR H H 85 8.026 8.026 8.162 -0.136 19294 1691 1 9 . 1 1 86 86 ARG N N 86 123.513 123.513 122.714 0.799 19294 1692 1 9 . 1 1 86 86 ARG H H 86 8.217 8.217 8.632 -0.415 19294 1693 1 9 . 1 1 87 87 GLY N N 87 108.952 108.952 113.806 -4.854 19294 1694 1 9 . 1 1 87 87 GLY H H 87 7.760 7.760 8.670 -0.910 19294 1695 1 9 . 1 1 88 88 LYS N N 88 120.704 120.704 123.036 -2.332 19294 1696 1 9 . 1 1 88 88 LYS H H 88 8.193 8.193 8.280 -0.087 19294 1697 1 9 . 1 1 89 89 ASN N N 89 119.295 119.295 120.378 -1.083 19294 1698 1 9 . 1 1 89 89 ASN H H 89 8.469 8.469 8.453 0.016 19294 1699 1 9 . 1 1 90 90 SER N N 90 116.172 116.172 112.064 4.108 19294 1700 1 9 . 1 1 90 90 SER H H 90 8.164 8.164 8.263 -0.099 19294 1701 1 9 . 1 1 91 91 VAL N N 91 121.404 121.404 122.910 -1.506 19294 1702 1 9 . 1 1 91 91 VAL H H 91 8.076 8.076 8.485 -0.409 19294 1703 1 9 . 1 1 92 92 ALA N N 92 127.063 127.063 125.489 1.574 19294 1704 1 9 . 1 1 92 92 ALA H H 92 8.224 8.224 8.516 -0.292 19294 1705 1 9 . 1 1 93 93 ALA N N 93 123.146 123.146 120.361 2.785 19294 1706 1 9 . 1 1 93 93 ALA H H 93 8.128 8.128 7.703 0.425 19294 1707 1 9 . 1 1 94 94 ARG N N 94 120.040 120.040 123.815 -3.775 19294 1708 1 9 . 1 1 94 94 ARG H H 94 8.178 8.178 8.572 -0.394 19294 1709 1 9 . 1 1 95 95 SER N N 95 118.524 118.524 118.101 0.423 19294 1710 1 9 . 1 1 95 95 SER H H 95 8.325 8.325 8.519 -0.194 19294 1711 1 9 . 1 1 97 97 GLU N N 97 120.828 120.828 122.192 -1.364 19294 1712 1 9 . 1 1 97 97 GLU H H 97 8.481 8.481 7.955 0.526 19294 1713 1 9 . 1 1 98 98 LYS N N 98 122.084 122.084 123.883 -1.799 19294 1714 1 9 . 1 1 98 98 LYS H H 98 8.211 8.211 8.613 -0.402 19294 1715 1 9 . 1 1 99 99 ALA N N 99 125.318 125.318 125.052 0.266 19294 1716 1 9 . 1 1 99 99 ALA H H 99 8.280 8.280 7.987 0.293 19294 1717 1 9 . 1 1 100 100 SER N N 100 114.843 114.843 115.851 -1.008 19294 1718 1 9 . 1 1 100 100 SER H H 100 8.262 8.262 8.559 -0.297 19294 1719 1 9 . 1 1 101 101 ASN N N 101 120.169 120.169 119.917 0.252 19294 1720 1 9 . 1 1 101 101 ASN H H 101 8.260 8.260 8.355 -0.095 19294 1721 1 9 . 1 1 102 102 MET N N 102 120.309 120.309 120.052 0.257 19294 1722 1 9 . 1 1 102 102 MET H H 102 8.262 8.262 7.986 0.276 19294 1723 1 9 . 1 1 103 103 GLU N N 103 121.199 121.199 120.255 0.944 19294 1724 1 9 . 1 1 103 103 GLU H H 103 8.345 8.345 8.748 -0.403 19294 1725 1 9 . 1 1 104 104 ASN N N 104 119.139 119.139 115.676 3.463 19294 1726 1 9 . 1 1 104 104 ASN H H 104 8.385 8.385 8.421 -0.036 19294 1727 1 9 . 1 1 105 105 ASN N N 105 119.640 119.640 118.186 1.454 19294 1728 1 9 . 1 1 105 105 ASN H H 105 8.400 8.400 8.569 -0.169 19294 1729 1 10 . 1 1 3 3 GLY N N 3 109.851 109.851 109.086 0.765 19294 1730 1 10 . 1 1 3 3 GLY H H 3 8.585 8.585 8.488 0.097 19294 1731 1 10 . 1 1 4 4 SER N N 4 115.542 115.542 119.146 -3.604 19294 1732 1 10 . 1 1 4 4 SER H H 4 8.129 8.129 8.256 -0.127 19294 1733 1 10 . 1 1 5 5 LEU N N 5 123.929 123.929 120.877 3.052 19294 1734 1 10 . 1 1 5 5 LEU H H 5 8.315 8.315 8.206 0.110 19294 1735 1 10 . 1 1 6 6 SER N N 6 115.912 115.912 115.387 0.525 19294 1736 1 10 . 1 1 6 6 SER H H 6 8.191 8.191 8.561 -0.370 19294 1737 1 10 . 1 1 7 7 ASN N N 7 120.407 120.407 118.162 2.245 19294 1738 1 10 . 1 1 7 7 ASN H H 7 8.400 8.400 8.280 0.120 19294 1739 1 10 . 1 1 8 8 PHE N N 8 120.059 120.059 122.042 -1.983 19294 1740 1 10 . 1 1 8 8 PHE H H 8 8.083 8.083 8.135 -0.052 19294 1741 1 10 . 1 1 9 9 ALA N N 9 124.325 124.325 124.972 -0.647 19294 1742 1 10 . 1 1 9 9 ALA H H 9 8.072 8.072 8.604 -0.532 19294 1743 1 10 . 1 1 10 10 ASN N N 10 117.559 117.559 117.777 -0.218 19294 1744 1 10 . 1 1 10 10 ASN H H 10 8.237 8.237 8.285 -0.048 19294 1745 1 10 . 1 1 11 11 VAL N N 11 119.391 119.391 117.840 1.551 19294 1746 1 10 . 1 1 11 11 VAL H H 11 7.949 7.949 8.209 -0.260 19294 1747 1 10 . 1 1 12 12 GLY N N 12 112.124 112.124 115.583 -3.459 19294 1748 1 10 . 1 1 12 12 GLY H H 12 8.426 8.426 8.497 -0.071 19294 1749 1 10 . 1 1 13 13 VAL N N 13 118.978 118.978 118.520 0.458 19294 1750 1 10 . 1 1 13 13 VAL H H 13 7.980 7.980 7.742 0.238 19294 1751 1 10 . 1 1 14 14 GLY N N 14 112.259 112.259 113.891 -1.632 19294 1752 1 10 . 1 1 14 14 GLY H H 14 8.510 8.510 8.301 0.209 19294 1753 1 10 . 1 1 15 15 THR N N 15 113.294 113.294 115.003 -1.709 19294 1754 1 10 . 1 1 15 15 THR H H 15 8.058 8.058 8.080 -0.022 19294 1755 1 10 . 1 1 16 16 SER N N 16 118.015 118.015 119.165 -1.150 19294 1756 1 10 . 1 1 16 16 SER H H 16 8.409 8.409 8.356 0.053 19294 1757 1 10 . 1 1 17 17 SER N N 17 117.642 117.642 120.750 -3.108 19294 1758 1 10 . 1 1 17 17 SER H H 17 8.336 8.336 8.574 -0.238 19294 1759 1 10 . 1 1 18 18 GLY N N 18 110.661 110.661 113.487 -2.826 19294 1760 1 10 . 1 1 18 18 GLY H H 18 8.369 8.369 8.470 -0.101 19294 1761 1 10 . 1 1 19 19 LYS N N 19 120.510 120.510 121.066 -0.556 19294 1762 1 10 . 1 1 19 19 LYS H H 19 8.105 8.105 8.491 -0.386 19294 1763 1 10 . 1 1 20 20 GLN N N 20 120.815 120.815 122.515 -1.700 19294 1764 1 10 . 1 1 20 20 GLN H H 20 8.255 8.255 8.409 -0.154 19294 1765 1 10 . 1 1 21 21 LYS N N 21 123.190 123.190 121.410 1.780 19294 1766 1 10 . 1 1 21 21 LYS H H 21 8.235 8.235 8.432 -0.197 19294 1767 1 10 . 1 1 22 22 ARG N N 22 122.038 122.038 124.235 -2.197 19294 1768 1 10 . 1 1 22 22 ARG H H 22 8.005 8.005 8.746 -0.741 19294 1769 1 10 . 1 1 23 23 TYR N N 23 122.249 122.249 118.827 3.422 19294 1770 1 10 . 1 1 23 23 TYR H H 23 8.332 8.332 8.383 -0.051 19294 1771 1 10 . 1 1 24 24 LYS N N 24 125.906 125.906 115.754 10.152 19294 1772 1 10 . 1 1 24 24 LYS H H 24 8.591 8.591 7.834 0.757 19294 1773 1 10 . 1 1 25 25 PHE N N 25 124.526 124.526 116.214 8.312 19294 1774 1 10 . 1 1 25 25 PHE H H 25 8.875 8.875 8.145 0.730 19294 1775 1 10 . 1 1 26 26 SER N N 26 121.585 121.585 122.530 -0.945 19294 1776 1 10 . 1 1 26 26 SER H H 26 9.536 9.536 8.862 0.674 19294 1777 1 10 . 1 1 27 27 ALA N N 27 124.035 124.035 125.138 -1.103 19294 1778 1 10 . 1 1 27 27 ALA H H 27 9.042 9.042 8.996 0.046 19294 1779 1 10 . 1 1 28 28 SER N N 28 112.803 112.803 112.269 0.534 19294 1780 1 10 . 1 1 28 28 SER H H 28 8.323 8.323 8.442 -0.119 19294 1781 1 10 . 1 1 29 29 GLU N N 29 123.527 123.527 120.182 3.345 19294 1782 1 10 . 1 1 29 29 GLU H H 29 7.860 7.860 8.523 -0.663 19294 1783 1 10 . 1 1 30 30 ASP N N 30 120.194 120.194 117.590 2.604 19294 1784 1 10 . 1 1 30 30 ASP H H 30 8.262 8.262 8.362 -0.100 19294 1785 1 10 . 1 1 31 31 GLU N N 31 117.806 117.806 119.375 -1.569 19294 1786 1 10 . 1 1 31 31 GLU H H 31 8.179 8.179 7.575 0.604 19294 1787 1 10 . 1 1 32 32 ALA N N 32 121.610 121.610 122.378 -0.768 19294 1788 1 10 . 1 1 32 32 ALA H H 32 7.639 7.639 8.138 -0.499 19294 1789 1 10 . 1 1 33 33 ILE N N 33 117.076 117.076 118.405 -1.329 19294 1790 1 10 . 1 1 33 33 ILE H H 33 8.144 8.144 7.386 0.758 19294 1791 1 10 . 1 1 34 34 ILE N N 34 118.607 118.607 117.910 0.697 19294 1792 1 10 . 1 1 34 34 ILE H H 34 7.925 7.925 7.808 0.117 19294 1793 1 10 . 1 1 35 35 LYS N N 35 120.394 120.394 120.524 -0.130 19294 1794 1 10 . 1 1 35 35 LYS H H 35 8.578 8.578 8.152 0.426 19294 1795 1 10 . 1 1 36 36 GLY N N 36 110.322 110.322 108.495 1.827 19294 1796 1 10 . 1 1 36 36 GLY H H 36 8.866 8.866 7.944 0.922 19294 1797 1 10 . 1 1 37 37 LEU N N 37 123.178 123.178 122.226 0.952 19294 1798 1 10 . 1 1 37 37 LEU H H 37 8.610 8.610 7.959 0.651 19294 1799 1 10 . 1 1 38 38 ALA N N 38 117.618 117.618 120.484 -2.866 19294 1800 1 10 . 1 1 38 38 ALA H H 38 7.016 7.016 7.592 -0.576 19294 1801 1 10 . 1 1 39 39 ARG N N 39 118.101 118.101 116.129 1.972 19294 1802 1 10 . 1 1 39 39 ARG H H 39 7.274 7.274 7.225 0.049 19294 1803 1 10 . 1 1 40 40 PHE N N 40 120.820 120.820 119.803 1.017 19294 1804 1 10 . 1 1 40 40 PHE H H 40 8.317 8.317 7.854 0.463 19294 1805 1 10 . 1 1 41 41 THR N N 41 111.784 111.784 113.577 -1.793 19294 1806 1 10 . 1 1 41 41 THR H H 41 7.967 7.967 8.616 -0.649 19294 1807 1 10 . 1 1 42 42 LYS N N 42 119.745 119.745 122.351 -2.606 19294 1808 1 10 . 1 1 42 42 LYS H H 42 7.909 7.909 8.830 -0.921 19294 1809 1 10 . 1 1 43 43 GLY N N 43 109.836 109.836 108.571 1.265 19294 1810 1 10 . 1 1 43 43 GLY H H 43 8.413 8.413 7.714 0.699 19294 1811 1 10 . 1 1 44 44 GLN N N 44 119.385 119.385 116.351 3.034 19294 1812 1 10 . 1 1 44 44 GLN H H 44 8.701 8.701 8.378 0.323 19294 1813 1 10 . 1 1 45 45 GLN N N 45 117.945 117.945 115.975 1.970 19294 1814 1 10 . 1 1 45 45 GLN H H 45 8.701 8.701 8.258 0.443 19294 1815 1 10 . 1 1 46 46 ARG N N 46 120.031 120.031 122.618 -2.587 19294 1816 1 10 . 1 1 46 46 ARG H H 46 7.508 7.508 8.791 -1.283 19294 1817 1 10 . 1 1 47 47 PHE N N 47 114.942 114.942 118.902 -3.960 19294 1818 1 10 . 1 1 47 47 PHE H H 47 8.192 8.192 8.250 -0.058 19294 1819 1 10 . 1 1 48 48 GLN N N 48 122.079 122.079 118.636 3.443 19294 1820 1 10 . 1 1 48 48 GLN H H 48 7.952 7.952 8.020 -0.068 19294 1821 1 10 . 1 1 49 49 GLN N N 49 117.512 117.512 119.921 -2.409 19294 1822 1 10 . 1 1 49 49 GLN H H 49 7.873 7.873 8.010 -0.137 19294 1823 1 10 . 1 1 50 50 ILE N N 50 119.870 119.870 120.393 -0.523 19294 1824 1 10 . 1 1 50 50 ILE H H 50 8.000 8.000 8.408 -0.408 19294 1825 1 10 . 1 1 51 51 TYR N N 51 119.329 119.329 121.536 -2.207 19294 1826 1 10 . 1 1 51 51 TYR H H 51 8.349 8.349 7.850 0.499 19294 1827 1 10 . 1 1 52 52 TYR N N 52 114.638 114.638 118.162 -3.524 19294 1828 1 10 . 1 1 52 52 TYR H H 52 8.042 8.042 8.054 -0.012 19294 1829 1 10 . 1 1 53 53 ALA N N 53 122.239 122.239 122.101 0.138 19294 1830 1 10 . 1 1 53 53 ALA H H 53 8.332 8.332 7.946 0.386 19294 1831 1 10 . 1 1 54 54 TYR N N 54 115.435 115.435 119.666 -4.231 19294 1832 1 10 . 1 1 54 54 TYR H H 54 7.358 7.358 8.409 -1.051 19294 1833 1 10 . 1 1 55 55 ARG N N 55 118.154 118.154 120.416 -2.262 19294 1834 1 10 . 1 1 55 55 ARG H H 55 6.625 6.625 7.752 -1.127 19294 1835 1 10 . 1 1 56 56 SER N N 56 110.807 110.807 113.438 -2.631 19294 1836 1 10 . 1 1 56 56 SER H H 56 8.149 8.149 7.833 0.316 19294 1837 1 10 . 1 1 57 57 VAL N N 57 120.648 120.648 119.462 1.186 19294 1838 1 10 . 1 1 57 57 VAL H H 57 7.790 7.790 7.538 0.252 19294 1839 1 10 . 1 1 58 58 TRP N N 58 114.004 114.004 119.602 -5.598 19294 1840 1 10 . 1 1 58 58 TRP H H 58 5.902 5.902 6.852 -0.950 19294 1841 1 10 . 1 1 59 59 HIS N N 59 125.034 125.034 121.690 3.344 19294 1842 1 10 . 1 1 59 59 HIS H H 59 8.658 8.658 8.237 0.421 19294 1843 1 10 . 1 1 61 61 ALA N N 61 123.740 123.740 122.510 1.230 19294 1844 1 10 . 1 1 61 61 ALA H H 61 8.220 8.220 7.922 0.298 19294 1845 1 10 . 1 1 62 62 ARG N N 62 120.118 120.118 119.435 0.683 19294 1846 1 10 . 1 1 62 62 ARG H H 62 8.221 8.221 8.350 -0.129 19294 1847 1 10 . 1 1 63 63 THR N N 63 114.028 114.028 109.651 4.377 19294 1848 1 10 . 1 1 63 63 THR H H 63 6.860 6.860 7.829 -0.969 19294 1849 1 10 . 1 1 64 64 VAL N N 64 120.498 120.498 120.937 -0.439 19294 1850 1 10 . 1 1 64 64 VAL H H 64 8.104 8.104 8.325 -0.221 19294 1851 1 10 . 1 1 65 65 SER N N 65 113.818 113.818 113.746 0.072 19294 1852 1 10 . 1 1 65 65 SER H H 65 8.210 8.210 8.114 0.096 19294 1853 1 10 . 1 1 66 66 GLN N N 66 119.304 119.304 121.584 -2.280 19294 1854 1 10 . 1 1 66 66 GLN H H 66 7.471 7.471 7.790 -0.319 19294 1855 1 10 . 1 1 67 67 LEU N N 67 118.987 118.987 121.166 -2.179 19294 1856 1 10 . 1 1 67 67 LEU H H 67 7.724 7.724 7.490 0.234 19294 1857 1 10 . 1 1 68 68 TYR N N 68 118.918 118.918 117.501 1.417 19294 1858 1 10 . 1 1 68 68 TYR H H 68 7.560 7.560 8.066 -0.506 19294 1859 1 10 . 1 1 69 69 ASP N N 69 119.021 119.021 120.106 -1.085 19294 1860 1 10 . 1 1 69 69 ASP H H 69 8.611 8.611 7.615 0.996 19294 1861 1 10 . 1 1 70 70 HIS N N 70 119.566 119.566 118.067 1.499 19294 1862 1 10 . 1 1 70 70 HIS H H 70 8.217 8.217 7.478 0.739 19294 1863 1 10 . 1 1 71 71 TRP N N 71 122.074 122.074 122.322 -0.248 19294 1864 1 10 . 1 1 71 71 TRP H H 71 8.510 8.510 8.756 -0.246 19294 1865 1 10 . 1 1 73 73 GLY N N 73 102.171 102.171 105.610 -3.439 19294 1866 1 10 . 1 1 73 73 GLY H H 73 7.977 7.977 7.901 0.076 19294 1867 1 10 . 1 1 74 74 THR N N 74 112.306 112.306 114.982 -2.676 19294 1868 1 10 . 1 1 74 74 THR H H 74 7.190 7.190 7.473 -0.283 19294 1869 1 10 . 1 1 75 75 LEU N N 75 122.319 122.319 120.057 2.262 19294 1870 1 10 . 1 1 75 75 LEU H H 75 7.735 7.735 7.233 0.502 19294 1871 1 10 . 1 1 76 76 ARG N N 76 116.956 116.956 117.813 -0.857 19294 1872 1 10 . 1 1 76 76 ARG H H 76 8.188 8.188 7.290 0.898 19294 1873 1 10 . 1 1 80 80 ILE N N 80 122.069 122.069 116.824 5.245 19294 1874 1 10 . 1 1 80 80 ILE H H 80 7.862 7.862 7.648 0.214 19294 1875 1 10 . 1 1 81 81 GLN N N 81 122.536 122.536 123.103 -0.567 19294 1876 1 10 . 1 1 81 81 GLN H H 81 8.161 8.161 8.834 -0.673 19294 1877 1 10 . 1 1 83 83 GLN N N 83 120.732 120.732 116.590 4.142 19294 1878 1 10 . 1 1 83 83 GLN H H 83 8.342 8.342 7.957 0.385 19294 1879 1 10 . 1 1 84 84 GLY N N 84 109.358 109.358 107.514 1.844 19294 1880 1 10 . 1 1 84 84 GLY H H 84 8.310 8.310 8.070 0.240 19294 1881 1 10 . 1 1 85 85 TYR N N 85 120.275 120.275 122.100 -1.825 19294 1882 1 10 . 1 1 85 85 TYR H H 85 8.026 8.026 8.496 -0.470 19294 1883 1 10 . 1 1 86 86 ARG N N 86 123.513 123.513 123.920 -0.407 19294 1884 1 10 . 1 1 86 86 ARG H H 86 8.217 8.217 8.524 -0.307 19294 1885 1 10 . 1 1 87 87 GLY N N 87 108.952 108.952 110.272 -1.320 19294 1886 1 10 . 1 1 87 87 GLY H H 87 7.760 7.760 8.152 -0.392 19294 1887 1 10 . 1 1 88 88 LYS N N 88 120.704 120.704 121.429 -0.725 19294 1888 1 10 . 1 1 88 88 LYS H H 88 8.193 8.193 7.914 0.279 19294 1889 1 10 . 1 1 89 89 ASN N N 89 119.295 119.295 118.921 0.374 19294 1890 1 10 . 1 1 89 89 ASN H H 89 8.469 8.469 8.182 0.287 19294 1891 1 10 . 1 1 90 90 SER N N 90 116.172 116.172 114.608 1.564 19294 1892 1 10 . 1 1 90 90 SER H H 90 8.164 8.164 8.040 0.124 19294 1893 1 10 . 1 1 91 91 VAL N N 91 121.404 121.404 118.408 2.996 19294 1894 1 10 . 1 1 91 91 VAL H H 91 8.076 8.076 7.817 0.259 19294 1895 1 10 . 1 1 92 92 ALA N N 92 127.063 127.063 130.015 -2.952 19294 1896 1 10 . 1 1 92 92 ALA H H 92 8.224 8.224 8.506 -0.282 19294 1897 1 10 . 1 1 93 93 ALA N N 93 123.146 123.146 125.457 -2.311 19294 1898 1 10 . 1 1 93 93 ALA H H 93 8.128 8.128 8.262 -0.134 19294 1899 1 10 . 1 1 94 94 ARG N N 94 120.040 120.040 120.677 -0.637 19294 1900 1 10 . 1 1 94 94 ARG H H 94 8.178 8.178 8.689 -0.511 19294 1901 1 10 . 1 1 95 95 SER N N 95 118.524 118.524 118.991 -0.467 19294 1902 1 10 . 1 1 95 95 SER H H 95 8.325 8.325 8.567 -0.242 19294 1903 1 10 . 1 1 97 97 GLU N N 97 120.828 120.828 122.557 -1.729 19294 1904 1 10 . 1 1 97 97 GLU H H 97 8.481 8.481 8.885 -0.404 19294 1905 1 10 . 1 1 98 98 LYS N N 98 122.084 122.084 119.164 2.920 19294 1906 1 10 . 1 1 98 98 LYS H H 98 8.211 8.211 7.779 0.432 19294 1907 1 10 . 1 1 99 99 ALA N N 99 125.318 125.318 123.927 1.391 19294 1908 1 10 . 1 1 99 99 ALA H H 99 8.280 8.280 8.380 -0.100 19294 1909 1 10 . 1 1 100 100 SER N N 100 114.843 114.843 109.064 5.779 19294 1910 1 10 . 1 1 100 100 SER H H 100 8.262 8.262 7.887 0.375 19294 1911 1 10 . 1 1 101 101 ASN N N 101 120.169 120.169 119.465 0.704 19294 1912 1 10 . 1 1 101 101 ASN H H 101 8.260 8.260 8.246 0.014 19294 1913 1 10 . 1 1 102 102 MET N N 102 120.309 120.309 119.841 0.468 19294 1914 1 10 . 1 1 102 102 MET H H 102 8.262 8.262 8.342 -0.080 19294 1915 1 10 . 1 1 103 103 GLU N N 103 121.199 121.199 124.028 -2.829 19294 1916 1 10 . 1 1 103 103 GLU H H 103 8.345 8.345 8.382 -0.037 19294 1917 1 10 . 1 1 104 104 ASN N N 104 119.139 119.139 118.280 0.859 19294 1918 1 10 . 1 1 104 104 ASN H H 104 8.385 8.385 8.514 -0.129 19294 1919 1 10 . 1 1 105 105 ASN N N 105 119.640 119.640 118.248 1.392 19294 1920 1 10 . 1 1 105 105 ASN H H 105 8.400 8.400 8.224 0.176 19294 1921 1 11 . 1 1 3 3 GLY N N 3 109.851 109.851 111.860 -2.009 19294 1922 1 11 . 1 1 3 3 GLY H H 3 8.585 8.585 8.503 0.082 19294 1923 1 11 . 1 1 4 4 SER N N 4 115.542 115.542 119.517 -3.975 19294 1924 1 11 . 1 1 4 4 SER H H 4 8.129 8.129 8.517 -0.388 19294 1925 1 11 . 1 1 5 5 LEU N N 5 123.929 123.929 122.564 1.365 19294 1926 1 11 . 1 1 5 5 LEU H H 5 8.315 8.315 8.438 -0.123 19294 1927 1 11 . 1 1 6 6 SER N N 6 115.912 115.912 113.980 1.932 19294 1928 1 11 . 1 1 6 6 SER H H 6 8.191 8.191 8.559 -0.368 19294 1929 1 11 . 1 1 7 7 ASN N N 7 120.407 120.407 119.993 0.414 19294 1930 1 11 . 1 1 7 7 ASN H H 7 8.400 8.400 8.567 -0.167 19294 1931 1 11 . 1 1 8 8 PHE N N 8 120.059 120.059 121.754 -1.695 19294 1932 1 11 . 1 1 8 8 PHE H H 8 8.083 8.083 8.379 -0.296 19294 1933 1 11 . 1 1 9 9 ALA N N 9 124.325 124.325 123.068 1.257 19294 1934 1 11 . 1 1 9 9 ALA H H 9 8.072 8.072 8.051 0.021 19294 1935 1 11 . 1 1 10 10 ASN N N 10 117.559 117.559 118.063 -0.504 19294 1936 1 11 . 1 1 10 10 ASN H H 10 8.237 8.237 8.301 -0.064 19294 1937 1 11 . 1 1 11 11 VAL N N 11 119.391 119.391 118.844 0.547 19294 1938 1 11 . 1 1 11 11 VAL H H 11 7.949 7.949 8.521 -0.572 19294 1939 1 11 . 1 1 12 12 GLY N N 12 112.124 112.124 113.681 -1.557 19294 1940 1 11 . 1 1 12 12 GLY H H 12 8.426 8.426 8.194 0.232 19294 1941 1 11 . 1 1 13 13 VAL N N 13 118.978 118.978 119.577 -0.599 19294 1942 1 11 . 1 1 13 13 VAL H H 13 7.980 7.980 8.157 -0.177 19294 1943 1 11 . 1 1 14 14 GLY N N 14 112.259 112.259 117.167 -4.908 19294 1944 1 11 . 1 1 14 14 GLY H H 14 8.510 8.510 8.842 -0.332 19294 1945 1 11 . 1 1 15 15 THR N N 15 113.294 113.294 115.724 -2.430 19294 1946 1 11 . 1 1 15 15 THR H H 15 8.058 8.058 8.120 -0.062 19294 1947 1 11 . 1 1 16 16 SER N N 16 118.015 118.015 117.879 0.136 19294 1948 1 11 . 1 1 16 16 SER H H 16 8.409 8.409 7.811 0.598 19294 1949 1 11 . 1 1 17 17 SER N N 17 117.642 117.642 117.196 0.446 19294 1950 1 11 . 1 1 17 17 SER H H 17 8.336 8.336 8.561 -0.225 19294 1951 1 11 . 1 1 18 18 GLY N N 18 110.661 110.661 112.303 -1.642 19294 1952 1 11 . 1 1 18 18 GLY H H 18 8.369 8.369 8.352 0.017 19294 1953 1 11 . 1 1 19 19 LYS N N 19 120.510 120.510 121.985 -1.475 19294 1954 1 11 . 1 1 19 19 LYS H H 19 8.105 8.105 8.453 -0.348 19294 1955 1 11 . 1 1 20 20 GLN N N 20 120.815 120.815 120.960 -0.145 19294 1956 1 11 . 1 1 20 20 GLN H H 20 8.255 8.255 8.424 -0.169 19294 1957 1 11 . 1 1 21 21 LYS N N 21 123.190 123.190 120.158 3.032 19294 1958 1 11 . 1 1 21 21 LYS H H 21 8.235 8.235 8.454 -0.219 19294 1959 1 11 . 1 1 22 22 ARG N N 22 122.038 122.038 123.164 -1.126 19294 1960 1 11 . 1 1 22 22 ARG H H 22 8.005 8.005 8.716 -0.711 19294 1961 1 11 . 1 1 23 23 TYR N N 23 122.249 122.249 123.921 -1.672 19294 1962 1 11 . 1 1 23 23 TYR H H 23 8.332 8.332 8.695 -0.363 19294 1963 1 11 . 1 1 24 24 LYS N N 24 125.906 125.906 121.084 4.822 19294 1964 1 11 . 1 1 24 24 LYS H H 24 8.591 8.591 8.181 0.410 19294 1965 1 11 . 1 1 25 25 PHE N N 25 124.526 124.526 121.253 3.273 19294 1966 1 11 . 1 1 25 25 PHE H H 25 8.875 8.875 8.153 0.722 19294 1967 1 11 . 1 1 26 26 SER N N 26 121.585 121.585 120.858 0.727 19294 1968 1 11 . 1 1 26 26 SER H H 26 9.536 9.536 8.811 0.725 19294 1969 1 11 . 1 1 27 27 ALA N N 27 124.035 124.035 122.730 1.305 19294 1970 1 11 . 1 1 27 27 ALA H H 27 9.042 9.042 8.341 0.701 19294 1971 1 11 . 1 1 28 28 SER N N 28 112.803 112.803 116.638 -3.835 19294 1972 1 11 . 1 1 28 28 SER H H 28 8.323 8.323 8.437 -0.114 19294 1973 1 11 . 1 1 29 29 GLU N N 29 123.527 123.527 121.292 2.235 19294 1974 1 11 . 1 1 29 29 GLU H H 29 7.860 7.860 7.654 0.206 19294 1975 1 11 . 1 1 30 30 ASP N N 30 120.194 120.194 119.718 0.476 19294 1976 1 11 . 1 1 30 30 ASP H H 30 8.262 8.262 7.735 0.527 19294 1977 1 11 . 1 1 31 31 GLU N N 31 117.806 117.806 119.193 -1.387 19294 1978 1 11 . 1 1 31 31 GLU H H 31 8.179 8.179 7.564 0.615 19294 1979 1 11 . 1 1 32 32 ALA N N 32 121.610 121.610 122.417 -0.807 19294 1980 1 11 . 1 1 32 32 ALA H H 32 7.639 7.639 7.889 -0.250 19294 1981 1 11 . 1 1 33 33 ILE N N 33 117.076 117.076 118.601 -1.525 19294 1982 1 11 . 1 1 33 33 ILE H H 33 8.144 8.144 7.331 0.813 19294 1983 1 11 . 1 1 34 34 ILE N N 34 118.607 118.607 117.585 1.022 19294 1984 1 11 . 1 1 34 34 ILE H H 34 7.925 7.925 7.847 0.078 19294 1985 1 11 . 1 1 35 35 LYS N N 35 120.394 120.394 120.031 0.363 19294 1986 1 11 . 1 1 35 35 LYS H H 35 8.578 8.578 8.170 0.408 19294 1987 1 11 . 1 1 36 36 GLY N N 36 110.322 110.322 107.974 2.348 19294 1988 1 11 . 1 1 36 36 GLY H H 36 8.866 8.866 8.043 0.824 19294 1989 1 11 . 1 1 37 37 LEU N N 37 123.178 123.178 122.051 1.127 19294 1990 1 11 . 1 1 37 37 LEU H H 37 8.610 8.610 8.164 0.446 19294 1991 1 11 . 1 1 38 38 ALA N N 38 117.618 117.618 121.030 -3.412 19294 1992 1 11 . 1 1 38 38 ALA H H 38 7.016 7.016 7.650 -0.634 19294 1993 1 11 . 1 1 39 39 ARG N N 39 118.101 118.101 115.932 2.169 19294 1994 1 11 . 1 1 39 39 ARG H H 39 7.274 7.274 7.145 0.129 19294 1995 1 11 . 1 1 40 40 PHE N N 40 120.820 120.820 115.529 5.291 19294 1996 1 11 . 1 1 40 40 PHE H H 40 8.317 8.317 7.129 1.188 19294 1997 1 11 . 1 1 41 41 THR N N 41 111.784 111.784 117.223 -5.439 19294 1998 1 11 . 1 1 41 41 THR H H 41 7.967 7.967 8.566 -0.599 19294 1999 1 11 . 1 1 42 42 LYS N N 42 119.745 119.745 126.521 -6.776 19294 2000 1 11 . 1 1 42 42 LYS H H 42 7.909 7.909 8.557 -0.648 19294 2001 1 11 . 1 1 43 43 GLY N N 43 109.836 109.836 109.160 0.676 19294 2002 1 11 . 1 1 43 43 GLY H H 43 8.413 8.413 7.566 0.847 19294 2003 1 11 . 1 1 44 44 GLN N N 44 119.385 119.385 118.635 0.750 19294 2004 1 11 . 1 1 44 44 GLN H H 44 8.701 8.701 8.389 0.312 19294 2005 1 11 . 1 1 45 45 GLN N N 45 117.945 117.945 115.976 1.969 19294 2006 1 11 . 1 1 45 45 GLN H H 45 8.701 8.701 8.334 0.367 19294 2007 1 11 . 1 1 46 46 ARG N N 46 120.031 120.031 121.455 -1.424 19294 2008 1 11 . 1 1 46 46 ARG H H 46 7.508 7.508 8.612 -1.104 19294 2009 1 11 . 1 1 47 47 PHE N N 47 114.942 114.942 117.573 -2.631 19294 2010 1 11 . 1 1 47 47 PHE H H 47 8.192 8.192 7.915 0.277 19294 2011 1 11 . 1 1 48 48 GLN N N 48 122.079 122.079 117.769 4.310 19294 2012 1 11 . 1 1 48 48 GLN H H 48 7.952 7.952 7.962 -0.010 19294 2013 1 11 . 1 1 49 49 GLN N N 49 117.512 117.512 119.739 -2.227 19294 2014 1 11 . 1 1 49 49 GLN H H 49 7.873 7.873 7.876 -0.003 19294 2015 1 11 . 1 1 50 50 ILE N N 50 119.870 119.870 120.602 -0.732 19294 2016 1 11 . 1 1 50 50 ILE H H 50 8.000 8.000 8.697 -0.697 19294 2017 1 11 . 1 1 51 51 TYR N N 51 119.329 119.329 121.845 -2.516 19294 2018 1 11 . 1 1 51 51 TYR H H 51 8.349 8.349 8.015 0.334 19294 2019 1 11 . 1 1 52 52 TYR N N 52 114.638 114.638 116.641 -2.003 19294 2020 1 11 . 1 1 52 52 TYR H H 52 8.042 8.042 7.741 0.301 19294 2021 1 11 . 1 1 53 53 ALA N N 53 122.239 122.239 121.820 0.419 19294 2022 1 11 . 1 1 53 53 ALA H H 53 8.332 8.332 7.676 0.656 19294 2023 1 11 . 1 1 54 54 TYR N N 54 115.435 115.435 118.147 -2.712 19294 2024 1 11 . 1 1 54 54 TYR H H 54 7.358 7.358 8.424 -1.066 19294 2025 1 11 . 1 1 55 55 ARG N N 55 118.154 118.154 122.414 -4.260 19294 2026 1 11 . 1 1 55 55 ARG H H 55 6.625 6.625 7.380 -0.755 19294 2027 1 11 . 1 1 56 56 SER N N 56 110.807 110.807 113.815 -3.008 19294 2028 1 11 . 1 1 56 56 SER H H 56 8.149 8.149 7.618 0.531 19294 2029 1 11 . 1 1 57 57 VAL N N 57 120.648 120.648 118.615 2.033 19294 2030 1 11 . 1 1 57 57 VAL H H 57 7.790 7.790 7.870 -0.080 19294 2031 1 11 . 1 1 58 58 TRP N N 58 114.004 114.004 119.345 -5.341 19294 2032 1 11 . 1 1 58 58 TRP H H 58 5.902 5.902 7.718 -1.816 19294 2033 1 11 . 1 1 59 59 HIS N N 59 125.034 125.034 118.605 6.429 19294 2034 1 11 . 1 1 59 59 HIS H H 59 8.658 8.658 8.155 0.503 19294 2035 1 11 . 1 1 61 61 ALA N N 61 123.740 123.740 122.682 1.058 19294 2036 1 11 . 1 1 61 61 ALA H H 61 8.220 8.220 7.886 0.334 19294 2037 1 11 . 1 1 62 62 ARG N N 62 120.118 120.118 119.994 0.124 19294 2038 1 11 . 1 1 62 62 ARG H H 62 8.221 8.221 8.606 -0.385 19294 2039 1 11 . 1 1 63 63 THR N N 63 114.028 114.028 117.636 -3.608 19294 2040 1 11 . 1 1 63 63 THR H H 63 6.860 6.860 8.269 -1.409 19294 2041 1 11 . 1 1 64 64 VAL N N 64 120.498 120.498 123.819 -3.321 19294 2042 1 11 . 1 1 64 64 VAL H H 64 8.104 8.104 8.197 -0.093 19294 2043 1 11 . 1 1 65 65 SER N N 65 113.818 113.818 114.306 -0.488 19294 2044 1 11 . 1 1 65 65 SER H H 65 8.210 8.210 8.199 0.011 19294 2045 1 11 . 1 1 66 66 GLN N N 66 119.304 119.304 121.273 -1.969 19294 2046 1 11 . 1 1 66 66 GLN H H 66 7.471 7.471 7.658 -0.187 19294 2047 1 11 . 1 1 67 67 LEU N N 67 118.987 118.987 121.291 -2.304 19294 2048 1 11 . 1 1 67 67 LEU H H 67 7.724 7.724 7.487 0.237 19294 2049 1 11 . 1 1 68 68 TYR N N 68 118.918 118.918 117.257 1.661 19294 2050 1 11 . 1 1 68 68 TYR H H 68 7.560 7.560 8.118 -0.558 19294 2051 1 11 . 1 1 69 69 ASP N N 69 119.021 119.021 120.553 -1.532 19294 2052 1 11 . 1 1 69 69 ASP H H 69 8.611 8.611 7.596 1.015 19294 2053 1 11 . 1 1 70 70 HIS N N 70 119.566 119.566 118.475 1.091 19294 2054 1 11 . 1 1 70 70 HIS H H 70 8.217 8.217 7.638 0.579 19294 2055 1 11 . 1 1 71 71 TRP N N 71 122.074 122.074 122.313 -0.239 19294 2056 1 11 . 1 1 71 71 TRP H H 71 8.510 8.510 8.729 -0.219 19294 2057 1 11 . 1 1 73 73 GLY N N 73 102.171 102.171 105.840 -3.669 19294 2058 1 11 . 1 1 73 73 GLY H H 73 7.977 7.977 7.899 0.078 19294 2059 1 11 . 1 1 74 74 THR N N 74 112.306 112.306 115.772 -3.466 19294 2060 1 11 . 1 1 74 74 THR H H 74 7.190 7.190 7.479 -0.289 19294 2061 1 11 . 1 1 75 75 LEU N N 75 122.319 122.319 119.292 3.027 19294 2062 1 11 . 1 1 75 75 LEU H H 75 7.735 7.735 7.111 0.624 19294 2063 1 11 . 1 1 76 76 ARG N N 76 116.956 116.956 118.000 -1.044 19294 2064 1 11 . 1 1 76 76 ARG H H 76 8.188 8.188 7.116 1.072 19294 2065 1 11 . 1 1 80 80 ILE N N 80 122.069 122.069 118.512 3.557 19294 2066 1 11 . 1 1 80 80 ILE H H 80 7.862 7.862 7.729 0.133 19294 2067 1 11 . 1 1 81 81 GLN N N 81 122.536 122.536 123.719 -1.183 19294 2068 1 11 . 1 1 81 81 GLN H H 81 8.161 8.161 7.978 0.183 19294 2069 1 11 . 1 1 83 83 GLN N N 83 120.732 120.732 123.222 -2.490 19294 2070 1 11 . 1 1 83 83 GLN H H 83 8.342 8.342 8.778 -0.436 19294 2071 1 11 . 1 1 84 84 GLY N N 84 109.358 109.358 108.579 0.779 19294 2072 1 11 . 1 1 84 84 GLY H H 84 8.310 8.310 7.875 0.435 19294 2073 1 11 . 1 1 85 85 TYR N N 85 120.275 120.275 121.251 -0.976 19294 2074 1 11 . 1 1 85 85 TYR H H 85 8.026 8.026 8.380 -0.354 19294 2075 1 11 . 1 1 86 86 ARG N N 86 123.513 123.513 123.094 0.419 19294 2076 1 11 . 1 1 86 86 ARG H H 86 8.217 8.217 9.000 -0.783 19294 2077 1 11 . 1 1 87 87 GLY N N 87 108.952 108.952 110.171 -1.219 19294 2078 1 11 . 1 1 87 87 GLY H H 87 7.760 7.760 8.448 -0.688 19294 2079 1 11 . 1 1 88 88 LYS N N 88 120.704 120.704 120.023 0.681 19294 2080 1 11 . 1 1 88 88 LYS H H 88 8.193 8.193 8.095 0.098 19294 2081 1 11 . 1 1 89 89 ASN N N 89 119.295 119.295 119.941 -0.646 19294 2082 1 11 . 1 1 89 89 ASN H H 89 8.469 8.469 8.500 -0.031 19294 2083 1 11 . 1 1 90 90 SER N N 90 116.172 116.172 117.335 -1.163 19294 2084 1 11 . 1 1 90 90 SER H H 90 8.164 8.164 8.525 -0.361 19294 2085 1 11 . 1 1 91 91 VAL N N 91 121.404 121.404 124.477 -3.073 19294 2086 1 11 . 1 1 91 91 VAL H H 91 8.076 8.076 8.234 -0.158 19294 2087 1 11 . 1 1 92 92 ALA N N 92 127.063 127.063 128.157 -1.094 19294 2088 1 11 . 1 1 92 92 ALA H H 92 8.224 8.224 8.235 -0.011 19294 2089 1 11 . 1 1 93 93 ALA N N 93 123.146 123.146 123.865 -0.719 19294 2090 1 11 . 1 1 93 93 ALA H H 93 8.128 8.128 8.256 -0.128 19294 2091 1 11 . 1 1 94 94 ARG N N 94 120.040 120.040 124.963 -4.923 19294 2092 1 11 . 1 1 94 94 ARG H H 94 8.178 8.178 8.557 -0.379 19294 2093 1 11 . 1 1 95 95 SER N N 95 118.524 118.524 119.222 -0.698 19294 2094 1 11 . 1 1 95 95 SER H H 95 8.325 8.325 8.430 -0.105 19294 2095 1 11 . 1 1 97 97 GLU N N 97 120.828 120.828 118.741 2.087 19294 2096 1 11 . 1 1 97 97 GLU H H 97 8.481 8.481 8.452 0.029 19294 2097 1 11 . 1 1 98 98 LYS N N 98 122.084 122.084 119.263 2.821 19294 2098 1 11 . 1 1 98 98 LYS H H 98 8.211 8.211 8.467 -0.256 19294 2099 1 11 . 1 1 99 99 ALA N N 99 125.318 125.318 123.173 2.145 19294 2100 1 11 . 1 1 99 99 ALA H H 99 8.280 8.280 8.024 0.256 19294 2101 1 11 . 1 1 100 100 SER N N 100 114.843 114.843 115.573 -0.730 19294 2102 1 11 . 1 1 100 100 SER H H 100 8.262 8.262 8.512 -0.250 19294 2103 1 11 . 1 1 101 101 ASN N N 101 120.169 120.169 120.980 -0.811 19294 2104 1 11 . 1 1 101 101 ASN H H 101 8.260 8.260 8.304 -0.044 19294 2105 1 11 . 1 1 102 102 MET N N 102 120.309 120.309 124.665 -4.356 19294 2106 1 11 . 1 1 102 102 MET H H 102 8.262 8.262 8.811 -0.549 19294 2107 1 11 . 1 1 103 103 GLU N N 103 121.199 121.199 120.644 0.555 19294 2108 1 11 . 1 1 103 103 GLU H H 103 8.345 8.345 8.615 -0.270 19294 2109 1 11 . 1 1 104 104 ASN N N 104 119.139 119.139 115.212 3.927 19294 2110 1 11 . 1 1 104 104 ASN H H 104 8.385 8.385 8.187 0.198 19294 2111 1 11 . 1 1 105 105 ASN N N 105 119.640 119.640 119.136 0.504 19294 2112 1 11 . 1 1 105 105 ASN H H 105 8.400 8.400 8.517 -0.117 19294 2113 1 12 . 1 1 3 3 GLY N N 3 109.851 109.851 113.560 -3.709 19294 2114 1 12 . 1 1 3 3 GLY H H 3 8.585 8.585 8.778 -0.193 19294 2115 1 12 . 1 1 4 4 SER N N 4 115.542 115.542 117.458 -1.916 19294 2116 1 12 . 1 1 4 4 SER H H 4 8.129 8.129 8.190 -0.061 19294 2117 1 12 . 1 1 5 5 LEU N N 5 123.929 123.929 123.080 0.849 19294 2118 1 12 . 1 1 5 5 LEU H H 5 8.315 8.315 8.288 0.027 19294 2119 1 12 . 1 1 6 6 SER N N 6 115.912 115.912 121.888 -5.976 19294 2120 1 12 . 1 1 6 6 SER H H 6 8.191 8.191 8.454 -0.263 19294 2121 1 12 . 1 1 7 7 ASN N N 7 120.407 120.407 121.652 -1.245 19294 2122 1 12 . 1 1 7 7 ASN H H 7 8.400 8.400 8.373 0.027 19294 2123 1 12 . 1 1 8 8 PHE N N 8 120.059 120.059 120.853 -0.794 19294 2124 1 12 . 1 1 8 8 PHE H H 8 8.083 8.083 8.519 -0.436 19294 2125 1 12 . 1 1 9 9 ALA N N 9 124.325 124.325 127.790 -3.465 19294 2126 1 12 . 1 1 9 9 ALA H H 9 8.072 8.072 8.649 -0.577 19294 2127 1 12 . 1 1 10 10 ASN N N 10 117.559 117.559 122.039 -4.480 19294 2128 1 12 . 1 1 10 10 ASN H H 10 8.237 8.237 8.509 -0.272 19294 2129 1 12 . 1 1 11 11 VAL N N 11 119.391 119.391 117.211 2.180 19294 2130 1 12 . 1 1 11 11 VAL H H 11 7.949 7.949 7.964 -0.015 19294 2131 1 12 . 1 1 12 12 GLY N N 12 112.124 112.124 110.673 1.451 19294 2132 1 12 . 1 1 12 12 GLY H H 12 8.426 8.426 8.261 0.165 19294 2133 1 12 . 1 1 13 13 VAL N N 13 118.978 118.978 116.065 2.913 19294 2134 1 12 . 1 1 13 13 VAL H H 13 7.980 7.980 8.637 -0.657 19294 2135 1 12 . 1 1 14 14 GLY N N 14 112.259 112.259 109.269 2.990 19294 2136 1 12 . 1 1 14 14 GLY H H 14 8.510 8.510 8.400 0.110 19294 2137 1 12 . 1 1 15 15 THR N N 15 113.294 113.294 115.964 -2.670 19294 2138 1 12 . 1 1 15 15 THR H H 15 8.058 8.058 8.333 -0.275 19294 2139 1 12 . 1 1 16 16 SER N N 16 118.015 118.015 116.988 1.027 19294 2140 1 12 . 1 1 16 16 SER H H 16 8.409 8.409 8.675 -0.266 19294 2141 1 12 . 1 1 17 17 SER N N 17 117.642 117.642 114.996 2.646 19294 2142 1 12 . 1 1 17 17 SER H H 17 8.336 8.336 8.315 0.021 19294 2143 1 12 . 1 1 18 18 GLY N N 18 110.661 110.661 107.753 2.908 19294 2144 1 12 . 1 1 18 18 GLY H H 18 8.369 8.369 8.359 0.010 19294 2145 1 12 . 1 1 19 19 LYS N N 19 120.510 120.510 121.568 -1.058 19294 2146 1 12 . 1 1 19 19 LYS H H 19 8.105 8.105 8.326 -0.221 19294 2147 1 12 . 1 1 20 20 GLN N N 20 120.815 120.815 124.351 -3.536 19294 2148 1 12 . 1 1 20 20 GLN H H 20 8.255 8.255 8.708 -0.453 19294 2149 1 12 . 1 1 21 21 LYS N N 21 123.190 123.190 119.203 3.987 19294 2150 1 12 . 1 1 21 21 LYS H H 21 8.235 8.235 8.418 -0.183 19294 2151 1 12 . 1 1 22 22 ARG N N 22 122.038 122.038 120.731 1.307 19294 2152 1 12 . 1 1 22 22 ARG H H 22 8.005 8.005 7.960 0.045 19294 2153 1 12 . 1 1 23 23 TYR N N 23 122.249 122.249 122.829 -0.580 19294 2154 1 12 . 1 1 23 23 TYR H H 23 8.332 8.332 8.373 -0.041 19294 2155 1 12 . 1 1 24 24 LYS N N 24 125.906 125.906 118.702 7.204 19294 2156 1 12 . 1 1 24 24 LYS H H 24 8.591 8.591 7.887 0.704 19294 2157 1 12 . 1 1 25 25 PHE N N 25 124.526 124.526 123.320 1.206 19294 2158 1 12 . 1 1 25 25 PHE H H 25 8.875 8.875 7.955 0.920 19294 2159 1 12 . 1 1 26 26 SER N N 26 121.585 121.585 121.008 0.577 19294 2160 1 12 . 1 1 26 26 SER H H 26 9.536 9.536 7.796 1.740 19294 2161 1 12 . 1 1 27 27 ALA N N 27 124.035 124.035 124.819 -0.784 19294 2162 1 12 . 1 1 27 27 ALA H H 27 9.042 9.042 8.640 0.402 19294 2163 1 12 . 1 1 28 28 SER N N 28 112.803 112.803 117.100 -4.297 19294 2164 1 12 . 1 1 28 28 SER H H 28 8.323 8.323 8.623 -0.300 19294 2165 1 12 . 1 1 29 29 GLU N N 29 123.527 123.527 120.552 2.975 19294 2166 1 12 . 1 1 29 29 GLU H H 29 7.860 7.860 7.483 0.377 19294 2167 1 12 . 1 1 30 30 ASP N N 30 120.194 120.194 119.696 0.498 19294 2168 1 12 . 1 1 30 30 ASP H H 30 8.262 8.262 8.270 -0.008 19294 2169 1 12 . 1 1 31 31 GLU N N 31 117.806 117.806 119.672 -1.866 19294 2170 1 12 . 1 1 31 31 GLU H H 31 8.179 8.179 8.127 0.052 19294 2171 1 12 . 1 1 32 32 ALA N N 32 121.610 121.610 121.611 -0.001 19294 2172 1 12 . 1 1 32 32 ALA H H 32 7.639 7.639 7.601 0.038 19294 2173 1 12 . 1 1 33 33 ILE N N 33 117.076 117.076 118.368 -1.292 19294 2174 1 12 . 1 1 33 33 ILE H H 33 8.144 8.144 7.180 0.964 19294 2175 1 12 . 1 1 34 34 ILE N N 34 118.607 118.607 117.642 0.965 19294 2176 1 12 . 1 1 34 34 ILE H H 34 7.925 7.925 8.249 -0.324 19294 2177 1 12 . 1 1 35 35 LYS N N 35 120.394 120.394 120.469 -0.075 19294 2178 1 12 . 1 1 35 35 LYS H H 35 8.578 8.578 7.913 0.665 19294 2179 1 12 . 1 1 36 36 GLY N N 36 110.322 110.322 108.586 1.736 19294 2180 1 12 . 1 1 36 36 GLY H H 36 8.866 8.866 8.056 0.810 19294 2181 1 12 . 1 1 37 37 LEU N N 37 123.178 123.178 121.929 1.249 19294 2182 1 12 . 1 1 37 37 LEU H H 37 8.610 8.610 8.313 0.297 19294 2183 1 12 . 1 1 38 38 ALA N N 38 117.618 117.618 119.950 -2.332 19294 2184 1 12 . 1 1 38 38 ALA H H 38 7.016 7.016 7.582 -0.566 19294 2185 1 12 . 1 1 39 39 ARG N N 39 118.101 118.101 115.654 2.447 19294 2186 1 12 . 1 1 39 39 ARG H H 39 7.274 7.274 7.369 -0.095 19294 2187 1 12 . 1 1 40 40 PHE N N 40 120.820 120.820 120.084 0.736 19294 2188 1 12 . 1 1 40 40 PHE H H 40 8.317 8.317 8.364 -0.047 19294 2189 1 12 . 1 1 41 41 THR N N 41 111.784 111.784 114.841 -3.057 19294 2190 1 12 . 1 1 41 41 THR H H 41 7.967 7.967 8.245 -0.278 19294 2191 1 12 . 1 1 42 42 LYS N N 42 119.745 119.745 121.634 -1.889 19294 2192 1 12 . 1 1 42 42 LYS H H 42 7.909 7.909 8.264 -0.355 19294 2193 1 12 . 1 1 43 43 GLY N N 43 109.836 109.836 108.162 1.674 19294 2194 1 12 . 1 1 43 43 GLY H H 43 8.413 8.413 8.101 0.312 19294 2195 1 12 . 1 1 44 44 GLN N N 44 119.385 119.385 119.112 0.273 19294 2196 1 12 . 1 1 44 44 GLN H H 44 8.701 8.701 8.548 0.153 19294 2197 1 12 . 1 1 45 45 GLN N N 45 117.945 117.945 115.818 2.127 19294 2198 1 12 . 1 1 45 45 GLN H H 45 8.701 8.701 8.227 0.474 19294 2199 1 12 . 1 1 46 46 ARG N N 46 120.031 120.031 118.916 1.115 19294 2200 1 12 . 1 1 46 46 ARG H H 46 7.508 7.508 8.056 -0.548 19294 2201 1 12 . 1 1 47 47 PHE N N 47 114.942 114.942 119.584 -4.642 19294 2202 1 12 . 1 1 47 47 PHE H H 47 8.192 8.192 7.448 0.744 19294 2203 1 12 . 1 1 48 48 GLN N N 48 122.079 122.079 117.530 4.549 19294 2204 1 12 . 1 1 48 48 GLN H H 48 7.952 7.952 8.163 -0.211 19294 2205 1 12 . 1 1 49 49 GLN N N 49 117.512 117.512 119.237 -1.725 19294 2206 1 12 . 1 1 49 49 GLN H H 49 7.873 7.873 7.614 0.259 19294 2207 1 12 . 1 1 50 50 ILE N N 50 119.870 119.870 120.658 -0.788 19294 2208 1 12 . 1 1 50 50 ILE H H 50 8.000 8.000 8.394 -0.394 19294 2209 1 12 . 1 1 51 51 TYR N N 51 119.329 119.329 121.372 -2.043 19294 2210 1 12 . 1 1 51 51 TYR H H 51 8.349 8.349 7.820 0.529 19294 2211 1 12 . 1 1 52 52 TYR N N 52 114.638 114.638 114.846 -0.208 19294 2212 1 12 . 1 1 52 52 TYR H H 52 8.042 8.042 7.402 0.640 19294 2213 1 12 . 1 1 53 53 ALA N N 53 122.239 122.239 121.219 1.020 19294 2214 1 12 . 1 1 53 53 ALA H H 53 8.332 8.332 7.712 0.620 19294 2215 1 12 . 1 1 54 54 TYR N N 54 115.435 115.435 118.285 -2.850 19294 2216 1 12 . 1 1 54 54 TYR H H 54 7.358 7.358 8.483 -1.125 19294 2217 1 12 . 1 1 55 55 ARG N N 55 118.154 118.154 121.260 -3.106 19294 2218 1 12 . 1 1 55 55 ARG H H 55 6.625 6.625 7.192 -0.567 19294 2219 1 12 . 1 1 56 56 SER N N 56 110.807 110.807 112.642 -1.835 19294 2220 1 12 . 1 1 56 56 SER H H 56 8.149 8.149 7.448 0.701 19294 2221 1 12 . 1 1 57 57 VAL N N 57 120.648 120.648 118.789 1.859 19294 2222 1 12 . 1 1 57 57 VAL H H 57 7.790 7.790 7.607 0.183 19294 2223 1 12 . 1 1 58 58 TRP N N 58 114.004 114.004 119.344 -5.340 19294 2224 1 12 . 1 1 58 58 TRP H H 58 5.902 5.902 7.140 -1.238 19294 2225 1 12 . 1 1 59 59 HIS N N 59 125.034 125.034 117.779 7.255 19294 2226 1 12 . 1 1 59 59 HIS H H 59 8.658 8.658 8.742 -0.084 19294 2227 1 12 . 1 1 61 61 ALA N N 61 123.740 123.740 123.096 0.644 19294 2228 1 12 . 1 1 61 61 ALA H H 61 8.220 8.220 8.379 -0.159 19294 2229 1 12 . 1 1 62 62 ARG N N 62 120.118 120.118 119.015 1.103 19294 2230 1 12 . 1 1 62 62 ARG H H 62 8.221 8.221 8.068 0.153 19294 2231 1 12 . 1 1 63 63 THR N N 63 114.028 114.028 112.494 1.534 19294 2232 1 12 . 1 1 63 63 THR H H 63 6.860 6.860 8.203 -1.343 19294 2233 1 12 . 1 1 64 64 VAL N N 64 120.498 120.498 123.831 -3.333 19294 2234 1 12 . 1 1 64 64 VAL H H 64 8.104 8.104 7.881 0.223 19294 2235 1 12 . 1 1 65 65 SER N N 65 113.818 113.818 114.184 -0.366 19294 2236 1 12 . 1 1 65 65 SER H H 65 8.210 8.210 7.853 0.357 19294 2237 1 12 . 1 1 66 66 GLN N N 66 119.304 119.304 119.783 -0.479 19294 2238 1 12 . 1 1 66 66 GLN H H 66 7.471 7.471 8.247 -0.776 19294 2239 1 12 . 1 1 67 67 LEU N N 67 118.987 118.987 120.514 -1.527 19294 2240 1 12 . 1 1 67 67 LEU H H 67 7.724 7.724 6.884 0.840 19294 2241 1 12 . 1 1 68 68 TYR N N 68 118.918 118.918 117.292 1.626 19294 2242 1 12 . 1 1 68 68 TYR H H 68 7.560 7.560 8.099 -0.539 19294 2243 1 12 . 1 1 69 69 ASP N N 69 119.021 119.021 120.022 -1.001 19294 2244 1 12 . 1 1 69 69 ASP H H 69 8.611 8.611 7.758 0.853 19294 2245 1 12 . 1 1 70 70 HIS N N 70 119.566 119.566 116.127 3.439 19294 2246 1 12 . 1 1 70 70 HIS H H 70 8.217 8.217 7.708 0.509 19294 2247 1 12 . 1 1 71 71 TRP N N 71 122.074 122.074 122.167 -0.093 19294 2248 1 12 . 1 1 71 71 TRP H H 71 8.510 8.510 8.650 -0.140 19294 2249 1 12 . 1 1 73 73 GLY N N 73 102.171 102.171 104.222 -2.051 19294 2250 1 12 . 1 1 73 73 GLY H H 73 7.977 7.977 7.801 0.176 19294 2251 1 12 . 1 1 74 74 THR N N 74 112.306 112.306 115.600 -3.294 19294 2252 1 12 . 1 1 74 74 THR H H 74 7.190 7.190 7.653 -0.463 19294 2253 1 12 . 1 1 75 75 LEU N N 75 122.319 122.319 120.539 1.780 19294 2254 1 12 . 1 1 75 75 LEU H H 75 7.735 7.735 7.245 0.490 19294 2255 1 12 . 1 1 76 76 ARG N N 76 116.956 116.956 122.077 -5.121 19294 2256 1 12 . 1 1 76 76 ARG H H 76 8.188 8.188 8.288 -0.100 19294 2257 1 12 . 1 1 80 80 ILE N N 80 122.069 122.069 119.894 2.175 19294 2258 1 12 . 1 1 80 80 ILE H H 80 7.862 7.862 8.248 -0.386 19294 2259 1 12 . 1 1 81 81 GLN N N 81 122.536 122.536 123.386 -0.850 19294 2260 1 12 . 1 1 81 81 GLN H H 81 8.161 8.161 8.490 -0.329 19294 2261 1 12 . 1 1 83 83 GLN N N 83 120.732 120.732 117.522 3.210 19294 2262 1 12 . 1 1 83 83 GLN H H 83 8.342 8.342 8.348 -0.006 19294 2263 1 12 . 1 1 84 84 GLY N N 84 109.358 109.358 110.578 -1.220 19294 2264 1 12 . 1 1 84 84 GLY H H 84 8.310 8.310 8.476 -0.166 19294 2265 1 12 . 1 1 85 85 TYR N N 85 120.275 120.275 120.646 -0.371 19294 2266 1 12 . 1 1 85 85 TYR H H 85 8.026 8.026 8.248 -0.222 19294 2267 1 12 . 1 1 86 86 ARG N N 86 123.513 123.513 122.369 1.144 19294 2268 1 12 . 1 1 86 86 ARG H H 86 8.217 8.217 8.584 -0.367 19294 2269 1 12 . 1 1 87 87 GLY N N 87 108.952 108.952 109.482 -0.530 19294 2270 1 12 . 1 1 87 87 GLY H H 87 7.760 7.760 8.303 -0.543 19294 2271 1 12 . 1 1 88 88 LYS N N 88 120.704 120.704 121.302 -0.598 19294 2272 1 12 . 1 1 88 88 LYS H H 88 8.193 8.193 8.255 -0.062 19294 2273 1 12 . 1 1 89 89 ASN N N 89 119.295 119.295 120.582 -1.287 19294 2274 1 12 . 1 1 89 89 ASN H H 89 8.469 8.469 8.541 -0.072 19294 2275 1 12 . 1 1 90 90 SER N N 90 116.172 116.172 119.473 -3.301 19294 2276 1 12 . 1 1 90 90 SER H H 90 8.164 8.164 8.566 -0.402 19294 2277 1 12 . 1 1 91 91 VAL N N 91 121.404 121.404 127.033 -5.629 19294 2278 1 12 . 1 1 91 91 VAL H H 91 8.076 8.076 8.367 -0.291 19294 2279 1 12 . 1 1 92 92 ALA N N 92 127.063 127.063 126.595 0.468 19294 2280 1 12 . 1 1 92 92 ALA H H 92 8.224 8.224 8.213 0.011 19294 2281 1 12 . 1 1 93 93 ALA N N 93 123.146 123.146 126.228 -3.082 19294 2282 1 12 . 1 1 93 93 ALA H H 93 8.128 8.128 8.408 -0.280 19294 2283 1 12 . 1 1 94 94 ARG N N 94 120.040 120.040 120.201 -0.161 19294 2284 1 12 . 1 1 94 94 ARG H H 94 8.178 8.178 7.805 0.373 19294 2285 1 12 . 1 1 95 95 SER N N 95 118.524 118.524 119.658 -1.134 19294 2286 1 12 . 1 1 95 95 SER H H 95 8.325 8.325 8.739 -0.414 19294 2287 1 12 . 1 1 97 97 GLU N N 97 120.828 120.828 119.938 0.890 19294 2288 1 12 . 1 1 97 97 GLU H H 97 8.481 8.481 8.286 0.195 19294 2289 1 12 . 1 1 98 98 LYS N N 98 122.084 122.084 122.716 -0.632 19294 2290 1 12 . 1 1 98 98 LYS H H 98 8.211 8.211 8.115 0.096 19294 2291 1 12 . 1 1 99 99 ALA N N 99 125.318 125.318 123.642 1.676 19294 2292 1 12 . 1 1 99 99 ALA H H 99 8.280 8.280 8.219 0.061 19294 2293 1 12 . 1 1 100 100 SER N N 100 114.843 114.843 118.683 -3.840 19294 2294 1 12 . 1 1 100 100 SER H H 100 8.262 8.262 9.128 -0.866 19294 2295 1 12 . 1 1 101 101 ASN N N 101 120.169 120.169 119.401 0.768 19294 2296 1 12 . 1 1 101 101 ASN H H 101 8.260 8.260 8.629 -0.369 19294 2297 1 12 . 1 1 102 102 MET N N 102 120.309 120.309 119.423 0.886 19294 2298 1 12 . 1 1 102 102 MET H H 102 8.262 8.262 8.109 0.153 19294 2299 1 12 . 1 1 103 103 GLU N N 103 121.199 121.199 120.793 0.406 19294 2300 1 12 . 1 1 103 103 GLU H H 103 8.345 8.345 8.256 0.089 19294 2301 1 12 . 1 1 104 104 ASN N N 104 119.139 119.139 120.069 -0.930 19294 2302 1 12 . 1 1 104 104 ASN H H 104 8.385 8.385 8.132 0.253 19294 2303 1 12 . 1 1 105 105 ASN N N 105 119.640 119.640 120.892 -1.252 19294 2304 1 12 . 1 1 105 105 ASN H H 105 8.400 8.400 8.668 -0.268 19294 2305 1 13 . 1 1 3 3 GLY N N 3 109.851 109.851 105.848 4.003 19294 2306 1 13 . 1 1 3 3 GLY H H 3 8.585 8.585 8.027 0.558 19294 2307 1 13 . 1 1 4 4 SER N N 4 115.542 115.542 113.951 1.591 19294 2308 1 13 . 1 1 4 4 SER H H 4 8.129 8.129 8.096 0.033 19294 2309 1 13 . 1 1 5 5 LEU N N 5 123.929 123.929 123.905 0.024 19294 2310 1 13 . 1 1 5 5 LEU H H 5 8.315 8.315 8.518 -0.203 19294 2311 1 13 . 1 1 6 6 SER N N 6 115.912 115.912 121.855 -5.943 19294 2312 1 13 . 1 1 6 6 SER H H 6 8.191 8.191 9.026 -0.835 19294 2313 1 13 . 1 1 7 7 ASN N N 7 120.407 120.407 117.115 3.292 19294 2314 1 13 . 1 1 7 7 ASN H H 7 8.400 8.400 8.457 -0.057 19294 2315 1 13 . 1 1 8 8 PHE N N 8 120.059 120.059 118.691 1.368 19294 2316 1 13 . 1 1 8 8 PHE H H 8 8.083 8.083 7.528 0.555 19294 2317 1 13 . 1 1 9 9 ALA N N 9 124.325 124.325 124.318 0.007 19294 2318 1 13 . 1 1 9 9 ALA H H 9 8.072 8.072 6.915 1.157 19294 2319 1 13 . 1 1 10 10 ASN N N 10 117.559 117.559 117.238 0.321 19294 2320 1 13 . 1 1 10 10 ASN H H 10 8.237 8.237 8.326 -0.089 19294 2321 1 13 . 1 1 11 11 VAL N N 11 119.391 119.391 119.848 -0.457 19294 2322 1 13 . 1 1 11 11 VAL H H 11 7.949 7.949 8.442 -0.493 19294 2323 1 13 . 1 1 12 12 GLY N N 12 112.124 112.124 108.268 3.856 19294 2324 1 13 . 1 1 12 12 GLY H H 12 8.426 8.426 7.719 0.707 19294 2325 1 13 . 1 1 13 13 VAL N N 13 118.978 118.978 121.217 -2.239 19294 2326 1 13 . 1 1 13 13 VAL H H 13 7.980 7.980 8.279 -0.299 19294 2327 1 13 . 1 1 14 14 GLY N N 14 112.259 112.259 114.001 -1.742 19294 2328 1 13 . 1 1 14 14 GLY H H 14 8.510 8.510 8.450 0.060 19294 2329 1 13 . 1 1 15 15 THR N N 15 113.294 113.294 112.034 1.260 19294 2330 1 13 . 1 1 15 15 THR H H 15 8.058 8.058 7.603 0.455 19294 2331 1 13 . 1 1 16 16 SER N N 16 118.015 118.015 120.984 -2.969 19294 2332 1 13 . 1 1 16 16 SER H H 16 8.409 8.409 8.373 0.036 19294 2333 1 13 . 1 1 17 17 SER N N 17 117.642 117.642 117.134 0.508 19294 2334 1 13 . 1 1 17 17 SER H H 17 8.336 8.336 8.531 -0.195 19294 2335 1 13 . 1 1 18 18 GLY N N 18 110.661 110.661 109.360 1.301 19294 2336 1 13 . 1 1 18 18 GLY H H 18 8.369 8.369 8.443 -0.074 19294 2337 1 13 . 1 1 19 19 LYS N N 19 120.510 120.510 124.350 -3.840 19294 2338 1 13 . 1 1 19 19 LYS H H 19 8.105 8.105 8.622 -0.517 19294 2339 1 13 . 1 1 20 20 GLN N N 20 120.815 120.815 119.503 1.312 19294 2340 1 13 . 1 1 20 20 GLN H H 20 8.255 8.255 8.730 -0.475 19294 2341 1 13 . 1 1 21 21 LYS N N 21 123.190 123.190 121.144 2.046 19294 2342 1 13 . 1 1 21 21 LYS H H 21 8.235 8.235 8.191 0.044 19294 2343 1 13 . 1 1 22 22 ARG N N 22 122.038 122.038 120.830 1.208 19294 2344 1 13 . 1 1 22 22 ARG H H 22 8.005 8.005 7.964 0.041 19294 2345 1 13 . 1 1 23 23 TYR N N 23 122.249 122.249 121.501 0.748 19294 2346 1 13 . 1 1 23 23 TYR H H 23 8.332 8.332 7.998 0.334 19294 2347 1 13 . 1 1 24 24 LYS N N 24 125.906 125.906 123.978 1.928 19294 2348 1 13 . 1 1 24 24 LYS H H 24 8.591 8.591 8.503 0.088 19294 2349 1 13 . 1 1 25 25 PHE N N 25 124.526 124.526 121.044 3.482 19294 2350 1 13 . 1 1 25 25 PHE H H 25 8.875 8.875 8.179 0.696 19294 2351 1 13 . 1 1 26 26 SER N N 26 121.585 121.585 120.302 1.283 19294 2352 1 13 . 1 1 26 26 SER H H 26 9.536 9.536 8.781 0.755 19294 2353 1 13 . 1 1 27 27 ALA N N 27 124.035 124.035 123.642 0.393 19294 2354 1 13 . 1 1 27 27 ALA H H 27 9.042 9.042 8.589 0.453 19294 2355 1 13 . 1 1 28 28 SER N N 28 112.803 112.803 116.105 -3.302 19294 2356 1 13 . 1 1 28 28 SER H H 28 8.323 8.323 8.492 -0.169 19294 2357 1 13 . 1 1 29 29 GLU N N 29 123.527 123.527 121.542 1.985 19294 2358 1 13 . 1 1 29 29 GLU H H 29 7.860 7.860 7.800 0.060 19294 2359 1 13 . 1 1 30 30 ASP N N 30 120.194 120.194 118.588 1.606 19294 2360 1 13 . 1 1 30 30 ASP H H 30 8.262 8.262 7.742 0.520 19294 2361 1 13 . 1 1 31 31 GLU N N 31 117.806 117.806 119.607 -1.801 19294 2362 1 13 . 1 1 31 31 GLU H H 31 8.179 8.179 7.604 0.575 19294 2363 1 13 . 1 1 32 32 ALA N N 32 121.610 121.610 123.325 -1.715 19294 2364 1 13 . 1 1 32 32 ALA H H 32 7.639 7.639 8.613 -0.974 19294 2365 1 13 . 1 1 33 33 ILE N N 33 117.076 117.076 119.704 -2.628 19294 2366 1 13 . 1 1 33 33 ILE H H 33 8.144 8.144 7.458 0.686 19294 2367 1 13 . 1 1 34 34 ILE N N 34 118.607 118.607 117.197 1.410 19294 2368 1 13 . 1 1 34 34 ILE H H 34 7.925 7.925 7.932 -0.007 19294 2369 1 13 . 1 1 35 35 LYS N N 35 120.394 120.394 120.586 -0.192 19294 2370 1 13 . 1 1 35 35 LYS H H 35 8.578 8.578 7.862 0.716 19294 2371 1 13 . 1 1 36 36 GLY N N 36 110.322 110.322 108.256 2.066 19294 2372 1 13 . 1 1 36 36 GLY H H 36 8.866 8.866 7.865 1.001 19294 2373 1 13 . 1 1 37 37 LEU N N 37 123.178 123.178 120.926 2.252 19294 2374 1 13 . 1 1 37 37 LEU H H 37 8.610 8.610 8.214 0.396 19294 2375 1 13 . 1 1 38 38 ALA N N 38 117.618 117.618 118.653 -1.035 19294 2376 1 13 . 1 1 38 38 ALA H H 38 7.016 7.016 7.512 -0.496 19294 2377 1 13 . 1 1 39 39 ARG N N 39 118.101 118.101 116.129 1.972 19294 2378 1 13 . 1 1 39 39 ARG H H 39 7.274 7.274 7.443 -0.169 19294 2379 1 13 . 1 1 40 40 PHE N N 40 120.820 120.820 121.310 -0.490 19294 2380 1 13 . 1 1 40 40 PHE H H 40 8.317 8.317 8.661 -0.344 19294 2381 1 13 . 1 1 41 41 THR N N 41 111.784 111.784 118.016 -6.232 19294 2382 1 13 . 1 1 41 41 THR H H 41 7.967 7.967 8.125 -0.158 19294 2383 1 13 . 1 1 42 42 LYS N N 42 119.745 119.745 126.667 -6.922 19294 2384 1 13 . 1 1 42 42 LYS H H 42 7.909 7.909 8.308 -0.399 19294 2385 1 13 . 1 1 43 43 GLY N N 43 109.836 109.836 108.682 1.154 19294 2386 1 13 . 1 1 43 43 GLY H H 43 8.413 8.413 7.944 0.469 19294 2387 1 13 . 1 1 44 44 GLN N N 44 119.385 119.385 117.404 1.981 19294 2388 1 13 . 1 1 44 44 GLN H H 44 8.701 8.701 7.822 0.879 19294 2389 1 13 . 1 1 45 45 GLN N N 45 117.945 117.945 120.202 -2.257 19294 2390 1 13 . 1 1 45 45 GLN H H 45 8.701 8.701 8.026 0.675 19294 2391 1 13 . 1 1 46 46 ARG N N 46 120.031 120.031 120.451 -0.420 19294 2392 1 13 . 1 1 46 46 ARG H H 46 7.508 7.508 8.233 -0.725 19294 2393 1 13 . 1 1 47 47 PHE N N 47 114.942 114.942 116.984 -2.042 19294 2394 1 13 . 1 1 47 47 PHE H H 47 8.192 8.192 7.966 0.226 19294 2395 1 13 . 1 1 48 48 GLN N N 48 122.079 122.079 116.764 5.315 19294 2396 1 13 . 1 1 48 48 GLN H H 48 7.952 7.952 8.758 -0.806 19294 2397 1 13 . 1 1 49 49 GLN N N 49 117.512 117.512 120.708 -3.196 19294 2398 1 13 . 1 1 49 49 GLN H H 49 7.873 7.873 7.950 -0.077 19294 2399 1 13 . 1 1 50 50 ILE N N 50 119.870 119.870 121.075 -1.205 19294 2400 1 13 . 1 1 50 50 ILE H H 50 8.000 8.000 8.292 -0.292 19294 2401 1 13 . 1 1 51 51 TYR N N 51 119.329 119.329 121.493 -2.164 19294 2402 1 13 . 1 1 51 51 TYR H H 51 8.349 8.349 7.915 0.434 19294 2403 1 13 . 1 1 52 52 TYR N N 52 114.638 114.638 118.676 -4.038 19294 2404 1 13 . 1 1 52 52 TYR H H 52 8.042 8.042 7.953 0.089 19294 2405 1 13 . 1 1 53 53 ALA N N 53 122.239 122.239 121.669 0.570 19294 2406 1 13 . 1 1 53 53 ALA H H 53 8.332 8.332 8.016 0.316 19294 2407 1 13 . 1 1 54 54 TYR N N 54 115.435 115.435 119.672 -4.237 19294 2408 1 13 . 1 1 54 54 TYR H H 54 7.358 7.358 8.447 -1.089 19294 2409 1 13 . 1 1 55 55 ARG N N 55 118.154 118.154 118.487 -0.333 19294 2410 1 13 . 1 1 55 55 ARG H H 55 6.625 6.625 7.706 -1.081 19294 2411 1 13 . 1 1 56 56 SER N N 56 110.807 110.807 112.572 -1.765 19294 2412 1 13 . 1 1 56 56 SER H H 56 8.149 8.149 7.501 0.648 19294 2413 1 13 . 1 1 57 57 VAL N N 57 120.648 120.648 119.151 1.497 19294 2414 1 13 . 1 1 57 57 VAL H H 57 7.790 7.790 7.323 0.467 19294 2415 1 13 . 1 1 58 58 TRP N N 58 114.004 114.004 118.282 -4.278 19294 2416 1 13 . 1 1 58 58 TRP H H 58 5.902 5.902 6.777 -0.875 19294 2417 1 13 . 1 1 59 59 HIS N N 59 125.034 125.034 119.316 5.718 19294 2418 1 13 . 1 1 59 59 HIS H H 59 8.658 8.658 8.629 0.029 19294 2419 1 13 . 1 1 61 61 ALA N N 61 123.740 123.740 127.756 -4.016 19294 2420 1 13 . 1 1 61 61 ALA H H 61 8.220 8.220 7.635 0.585 19294 2421 1 13 . 1 1 62 62 ARG N N 62 120.118 120.118 122.574 -2.456 19294 2422 1 13 . 1 1 62 62 ARG H H 62 8.221 8.221 8.668 -0.447 19294 2423 1 13 . 1 1 63 63 THR N N 63 114.028 114.028 118.576 -4.548 19294 2424 1 13 . 1 1 63 63 THR H H 63 6.860 6.860 8.111 -1.251 19294 2425 1 13 . 1 1 64 64 VAL N N 64 120.498 120.498 123.195 -2.697 19294 2426 1 13 . 1 1 64 64 VAL H H 64 8.104 8.104 7.408 0.696 19294 2427 1 13 . 1 1 65 65 SER N N 65 113.818 113.818 113.333 0.485 19294 2428 1 13 . 1 1 65 65 SER H H 65 8.210 8.210 8.196 0.014 19294 2429 1 13 . 1 1 66 66 GLN N N 66 119.304 119.304 121.038 -1.734 19294 2430 1 13 . 1 1 66 66 GLN H H 66 7.471 7.471 7.424 0.047 19294 2431 1 13 . 1 1 67 67 LEU N N 67 118.987 118.987 120.681 -1.694 19294 2432 1 13 . 1 1 67 67 LEU H H 67 7.724 7.724 7.400 0.324 19294 2433 1 13 . 1 1 68 68 TYR N N 68 118.918 118.918 117.537 1.381 19294 2434 1 13 . 1 1 68 68 TYR H H 68 7.560 7.560 7.961 -0.401 19294 2435 1 13 . 1 1 69 69 ASP N N 69 119.021 119.021 120.385 -1.364 19294 2436 1 13 . 1 1 69 69 ASP H H 69 8.611 8.611 7.607 1.004 19294 2437 1 13 . 1 1 70 70 HIS N N 70 119.566 119.566 117.834 1.732 19294 2438 1 13 . 1 1 70 70 HIS H H 70 8.217 8.217 7.283 0.934 19294 2439 1 13 . 1 1 71 71 TRP N N 71 122.074 122.074 122.477 -0.403 19294 2440 1 13 . 1 1 71 71 TRP H H 71 8.510 8.510 8.857 -0.347 19294 2441 1 13 . 1 1 73 73 GLY N N 73 102.171 102.171 104.859 -2.688 19294 2442 1 13 . 1 1 73 73 GLY H H 73 7.977 7.977 7.865 0.112 19294 2443 1 13 . 1 1 74 74 THR N N 74 112.306 112.306 115.174 -2.868 19294 2444 1 13 . 1 1 74 74 THR H H 74 7.190 7.190 7.663 -0.473 19294 2445 1 13 . 1 1 75 75 LEU N N 75 122.319 122.319 119.595 2.724 19294 2446 1 13 . 1 1 75 75 LEU H H 75 7.735 7.735 7.440 0.295 19294 2447 1 13 . 1 1 76 76 ARG N N 76 116.956 116.956 116.891 0.065 19294 2448 1 13 . 1 1 76 76 ARG H H 76 8.188 8.188 7.937 0.251 19294 2449 1 13 . 1 1 80 80 ILE N N 80 122.069 122.069 123.749 -1.680 19294 2450 1 13 . 1 1 80 80 ILE H H 80 7.862 7.862 8.311 -0.449 19294 2451 1 13 . 1 1 81 81 GLN N N 81 122.536 122.536 119.978 2.558 19294 2452 1 13 . 1 1 81 81 GLN H H 81 8.161 8.161 8.010 0.151 19294 2453 1 13 . 1 1 83 83 GLN N N 83 120.732 120.732 122.932 -2.200 19294 2454 1 13 . 1 1 83 83 GLN H H 83 8.342 8.342 8.418 -0.076 19294 2455 1 13 . 1 1 84 84 GLY N N 84 109.358 109.358 109.329 0.029 19294 2456 1 13 . 1 1 84 84 GLY H H 84 8.310 8.310 8.377 -0.067 19294 2457 1 13 . 1 1 85 85 TYR N N 85 120.275 120.275 125.478 -5.203 19294 2458 1 13 . 1 1 85 85 TYR H H 85 8.026 8.026 8.140 -0.114 19294 2459 1 13 . 1 1 86 86 ARG N N 86 123.513 123.513 126.010 -2.497 19294 2460 1 13 . 1 1 86 86 ARG H H 86 8.217 8.217 8.781 -0.564 19294 2461 1 13 . 1 1 87 87 GLY N N 87 108.952 108.952 106.365 2.587 19294 2462 1 13 . 1 1 87 87 GLY H H 87 7.760 7.760 7.933 -0.173 19294 2463 1 13 . 1 1 88 88 LYS N N 88 120.704 120.704 118.932 1.772 19294 2464 1 13 . 1 1 88 88 LYS H H 88 8.193 8.193 7.892 0.301 19294 2465 1 13 . 1 1 89 89 ASN N N 89 119.295 119.295 118.130 1.165 19294 2466 1 13 . 1 1 89 89 ASN H H 89 8.469 8.469 8.522 -0.053 19294 2467 1 13 . 1 1 90 90 SER N N 90 116.172 116.172 116.564 -0.392 19294 2468 1 13 . 1 1 90 90 SER H H 90 8.164 8.164 8.185 -0.021 19294 2469 1 13 . 1 1 91 91 VAL N N 91 121.404 121.404 118.052 3.352 19294 2470 1 13 . 1 1 91 91 VAL H H 91 8.076 8.076 8.268 -0.192 19294 2471 1 13 . 1 1 92 92 ALA N N 92 127.063 127.063 122.794 4.269 19294 2472 1 13 . 1 1 92 92 ALA H H 92 8.224 8.224 7.574 0.650 19294 2473 1 13 . 1 1 93 93 ALA N N 93 123.146 123.146 121.667 1.479 19294 2474 1 13 . 1 1 93 93 ALA H H 93 8.128 8.128 8.330 -0.202 19294 2475 1 13 . 1 1 94 94 ARG N N 94 120.040 120.040 122.337 -2.297 19294 2476 1 13 . 1 1 94 94 ARG H H 94 8.178 8.178 8.312 -0.134 19294 2477 1 13 . 1 1 95 95 SER N N 95 118.524 118.524 123.020 -4.496 19294 2478 1 13 . 1 1 95 95 SER H H 95 8.325 8.325 8.523 -0.198 19294 2479 1 13 . 1 1 97 97 GLU N N 97 120.828 120.828 122.339 -1.511 19294 2480 1 13 . 1 1 97 97 GLU H H 97 8.481 8.481 8.652 -0.171 19294 2481 1 13 . 1 1 98 98 LYS N N 98 122.084 122.084 119.575 2.509 19294 2482 1 13 . 1 1 98 98 LYS H H 98 8.211 8.211 7.982 0.229 19294 2483 1 13 . 1 1 99 99 ALA N N 99 125.318 125.318 126.355 -1.037 19294 2484 1 13 . 1 1 99 99 ALA H H 99 8.280 8.280 8.223 0.057 19294 2485 1 13 . 1 1 100 100 SER N N 100 114.843 114.843 117.546 -2.703 19294 2486 1 13 . 1 1 100 100 SER H H 100 8.262 8.262 8.576 -0.314 19294 2487 1 13 . 1 1 101 101 ASN N N 101 120.169 120.169 123.595 -3.426 19294 2488 1 13 . 1 1 101 101 ASN H H 101 8.260 8.260 8.571 -0.311 19294 2489 1 13 . 1 1 102 102 MET N N 102 120.309 120.309 120.038 0.271 19294 2490 1 13 . 1 1 102 102 MET H H 102 8.262 8.262 8.337 -0.075 19294 2491 1 13 . 1 1 103 103 GLU N N 103 121.199 121.199 118.674 2.525 19294 2492 1 13 . 1 1 103 103 GLU H H 103 8.345 8.345 8.446 -0.101 19294 2493 1 13 . 1 1 104 104 ASN N N 104 119.139 119.139 119.339 -0.200 19294 2494 1 13 . 1 1 104 104 ASN H H 104 8.385 8.385 8.293 0.092 19294 2495 1 13 . 1 1 105 105 ASN N N 105 119.640 119.640 119.480 0.160 19294 2496 1 13 . 1 1 105 105 ASN H H 105 8.400 8.400 8.319 0.081 19294 2497 1 14 . 1 1 3 3 GLY N N 3 109.851 109.851 110.735 -0.884 19294 2498 1 14 . 1 1 3 3 GLY H H 3 8.585 8.585 8.056 0.529 19294 2499 1 14 . 1 1 4 4 SER N N 4 115.542 115.542 116.199 -0.657 19294 2500 1 14 . 1 1 4 4 SER H H 4 8.129 8.129 8.158 -0.029 19294 2501 1 14 . 1 1 5 5 LEU N N 5 123.929 123.929 123.871 0.058 19294 2502 1 14 . 1 1 5 5 LEU H H 5 8.315 8.315 7.820 0.495 19294 2503 1 14 . 1 1 6 6 SER N N 6 115.912 115.912 120.938 -5.026 19294 2504 1 14 . 1 1 6 6 SER H H 6 8.191 8.191 8.770 -0.579 19294 2505 1 14 . 1 1 7 7 ASN N N 7 120.407 120.407 115.538 4.869 19294 2506 1 14 . 1 1 7 7 ASN H H 7 8.400 8.400 8.268 0.132 19294 2507 1 14 . 1 1 8 8 PHE N N 8 120.059 120.059 120.009 0.050 19294 2508 1 14 . 1 1 8 8 PHE H H 8 8.083 8.083 7.439 0.644 19294 2509 1 14 . 1 1 9 9 ALA N N 9 124.325 124.325 124.430 -0.105 19294 2510 1 14 . 1 1 9 9 ALA H H 9 8.072 8.072 8.479 -0.407 19294 2511 1 14 . 1 1 10 10 ASN N N 10 117.559 117.559 119.918 -2.359 19294 2512 1 14 . 1 1 10 10 ASN H H 10 8.237 8.237 8.462 -0.225 19294 2513 1 14 . 1 1 11 11 VAL N N 11 119.391 119.391 121.384 -1.993 19294 2514 1 14 . 1 1 11 11 VAL H H 11 7.949 7.949 8.304 -0.355 19294 2515 1 14 . 1 1 12 12 GLY N N 12 112.124 112.124 114.616 -2.492 19294 2516 1 14 . 1 1 12 12 GLY H H 12 8.426 8.426 8.119 0.307 19294 2517 1 14 . 1 1 13 13 VAL N N 13 118.978 118.978 120.630 -1.652 19294 2518 1 14 . 1 1 13 13 VAL H H 13 7.980 7.980 8.711 -0.731 19294 2519 1 14 . 1 1 14 14 GLY N N 14 112.259 112.259 108.733 3.526 19294 2520 1 14 . 1 1 14 14 GLY H H 14 8.510 8.510 8.203 0.307 19294 2521 1 14 . 1 1 15 15 THR N N 15 113.294 113.294 115.511 -2.217 19294 2522 1 14 . 1 1 15 15 THR H H 15 8.058 8.058 8.381 -0.323 19294 2523 1 14 . 1 1 16 16 SER N N 16 118.015 118.015 117.465 0.550 19294 2524 1 14 . 1 1 16 16 SER H H 16 8.409 8.409 8.268 0.141 19294 2525 1 14 . 1 1 17 17 SER N N 17 117.642 117.642 122.849 -5.207 19294 2526 1 14 . 1 1 17 17 SER H H 17 8.336 8.336 8.926 -0.590 19294 2527 1 14 . 1 1 18 18 GLY N N 18 110.661 110.661 109.658 1.003 19294 2528 1 14 . 1 1 18 18 GLY H H 18 8.369 8.369 8.197 0.172 19294 2529 1 14 . 1 1 19 19 LYS N N 19 120.510 120.510 119.363 1.147 19294 2530 1 14 . 1 1 19 19 LYS H H 19 8.105 8.105 8.016 0.089 19294 2531 1 14 . 1 1 20 20 GLN N N 20 120.815 120.815 119.367 1.448 19294 2532 1 14 . 1 1 20 20 GLN H H 20 8.255 8.255 8.510 -0.255 19294 2533 1 14 . 1 1 21 21 LYS N N 21 123.190 123.190 121.185 2.005 19294 2534 1 14 . 1 1 21 21 LYS H H 21 8.235 8.235 8.287 -0.052 19294 2535 1 14 . 1 1 22 22 ARG N N 22 122.038 122.038 124.265 -2.227 19294 2536 1 14 . 1 1 22 22 ARG H H 22 8.005 8.005 8.723 -0.718 19294 2537 1 14 . 1 1 23 23 TYR N N 23 122.249 122.249 119.690 2.559 19294 2538 1 14 . 1 1 23 23 TYR H H 23 8.332 8.332 8.759 -0.427 19294 2539 1 14 . 1 1 24 24 LYS N N 24 125.906 125.906 119.447 6.459 19294 2540 1 14 . 1 1 24 24 LYS H H 24 8.591 8.591 7.895 0.696 19294 2541 1 14 . 1 1 25 25 PHE N N 25 124.526 124.526 120.160 4.366 19294 2542 1 14 . 1 1 25 25 PHE H H 25 8.875 8.875 7.544 1.331 19294 2543 1 14 . 1 1 26 26 SER N N 26 121.585 121.585 118.227 3.358 19294 2544 1 14 . 1 1 26 26 SER H H 26 9.536 9.536 8.851 0.685 19294 2545 1 14 . 1 1 27 27 ALA N N 27 124.035 124.035 122.939 1.096 19294 2546 1 14 . 1 1 27 27 ALA H H 27 9.042 9.042 8.092 0.950 19294 2547 1 14 . 1 1 28 28 SER N N 28 112.803 112.803 116.607 -3.804 19294 2548 1 14 . 1 1 28 28 SER H H 28 8.323 8.323 8.358 -0.035 19294 2549 1 14 . 1 1 29 29 GLU N N 29 123.527 123.527 120.499 3.028 19294 2550 1 14 . 1 1 29 29 GLU H H 29 7.860 7.860 7.609 0.251 19294 2551 1 14 . 1 1 30 30 ASP N N 30 120.194 120.194 119.594 0.600 19294 2552 1 14 . 1 1 30 30 ASP H H 30 8.262 8.262 7.898 0.364 19294 2553 1 14 . 1 1 31 31 GLU N N 31 117.806 117.806 118.960 -1.154 19294 2554 1 14 . 1 1 31 31 GLU H H 31 8.179 8.179 7.679 0.500 19294 2555 1 14 . 1 1 32 32 ALA N N 32 121.610 121.610 121.991 -0.381 19294 2556 1 14 . 1 1 32 32 ALA H H 32 7.639 7.639 7.279 0.360 19294 2557 1 14 . 1 1 33 33 ILE N N 33 117.076 117.076 118.956 -1.880 19294 2558 1 14 . 1 1 33 33 ILE H H 33 8.144 8.144 7.234 0.910 19294 2559 1 14 . 1 1 34 34 ILE N N 34 118.607 118.607 120.274 -1.667 19294 2560 1 14 . 1 1 34 34 ILE H H 34 7.925 7.925 7.766 0.159 19294 2561 1 14 . 1 1 35 35 LYS N N 35 120.394 120.394 119.589 0.805 19294 2562 1 14 . 1 1 35 35 LYS H H 35 8.578 8.578 7.871 0.707 19294 2563 1 14 . 1 1 36 36 GLY N N 36 110.322 110.322 107.799 2.523 19294 2564 1 14 . 1 1 36 36 GLY H H 36 8.866 8.866 8.033 0.833 19294 2565 1 14 . 1 1 37 37 LEU N N 37 123.178 123.178 122.629 0.549 19294 2566 1 14 . 1 1 37 37 LEU H H 37 8.610 8.610 8.584 0.026 19294 2567 1 14 . 1 1 38 38 ALA N N 38 117.618 117.618 121.428 -3.810 19294 2568 1 14 . 1 1 38 38 ALA H H 38 7.016 7.016 7.858 -0.842 19294 2569 1 14 . 1 1 39 39 ARG N N 39 118.101 118.101 117.622 0.479 19294 2570 1 14 . 1 1 39 39 ARG H H 39 7.274 7.274 7.555 -0.281 19294 2571 1 14 . 1 1 40 40 PHE N N 40 120.820 120.820 117.065 3.755 19294 2572 1 14 . 1 1 40 40 PHE H H 40 8.317 8.317 7.362 0.955 19294 2573 1 14 . 1 1 41 41 THR N N 41 111.784 111.784 115.286 -3.502 19294 2574 1 14 . 1 1 41 41 THR H H 41 7.967 7.967 8.216 -0.249 19294 2575 1 14 . 1 1 42 42 LYS N N 42 119.745 119.745 124.414 -4.669 19294 2576 1 14 . 1 1 42 42 LYS H H 42 7.909 7.909 8.210 -0.301 19294 2577 1 14 . 1 1 43 43 GLY N N 43 109.836 109.836 108.565 1.271 19294 2578 1 14 . 1 1 43 43 GLY H H 43 8.413 8.413 7.281 1.132 19294 2579 1 14 . 1 1 44 44 GLN N N 44 119.385 119.385 118.200 1.185 19294 2580 1 14 . 1 1 44 44 GLN H H 44 8.701 8.701 8.537 0.164 19294 2581 1 14 . 1 1 45 45 GLN N N 45 117.945 117.945 116.357 1.588 19294 2582 1 14 . 1 1 45 45 GLN H H 45 8.701 8.701 8.176 0.525 19294 2583 1 14 . 1 1 46 46 ARG N N 46 120.031 120.031 121.438 -1.407 19294 2584 1 14 . 1 1 46 46 ARG H H 46 7.508 7.508 8.539 -1.031 19294 2585 1 14 . 1 1 47 47 PHE N N 47 114.942 114.942 117.684 -2.742 19294 2586 1 14 . 1 1 47 47 PHE H H 47 8.192 8.192 7.792 0.400 19294 2587 1 14 . 1 1 48 48 GLN N N 48 122.079 122.079 118.047 4.032 19294 2588 1 14 . 1 1 48 48 GLN H H 48 7.952 7.952 8.346 -0.394 19294 2589 1 14 . 1 1 49 49 GLN N N 49 117.512 117.512 119.645 -2.133 19294 2590 1 14 . 1 1 49 49 GLN H H 49 7.873 7.873 8.074 -0.201 19294 2591 1 14 . 1 1 50 50 ILE N N 50 119.870 119.870 120.428 -0.558 19294 2592 1 14 . 1 1 50 50 ILE H H 50 8.000 8.000 8.434 -0.434 19294 2593 1 14 . 1 1 51 51 TYR N N 51 119.329 119.329 121.640 -2.311 19294 2594 1 14 . 1 1 51 51 TYR H H 51 8.349 8.349 7.818 0.531 19294 2595 1 14 . 1 1 52 52 TYR N N 52 114.638 114.638 116.274 -1.636 19294 2596 1 14 . 1 1 52 52 TYR H H 52 8.042 8.042 7.729 0.313 19294 2597 1 14 . 1 1 53 53 ALA N N 53 122.239 122.239 121.525 0.714 19294 2598 1 14 . 1 1 53 53 ALA H H 53 8.332 8.332 7.632 0.700 19294 2599 1 14 . 1 1 54 54 TYR N N 54 115.435 115.435 117.141 -1.706 19294 2600 1 14 . 1 1 54 54 TYR H H 54 7.358 7.358 8.278 -0.920 19294 2601 1 14 . 1 1 55 55 ARG N N 55 118.154 118.154 120.963 -2.809 19294 2602 1 14 . 1 1 55 55 ARG H H 55 6.625 6.625 7.189 -0.564 19294 2603 1 14 . 1 1 56 56 SER N N 56 110.807 110.807 114.585 -3.778 19294 2604 1 14 . 1 1 56 56 SER H H 56 8.149 8.149 7.693 0.456 19294 2605 1 14 . 1 1 57 57 VAL N N 57 120.648 120.648 121.108 -0.460 19294 2606 1 14 . 1 1 57 57 VAL H H 57 7.790 7.790 7.930 -0.140 19294 2607 1 14 . 1 1 58 58 TRP N N 58 114.004 114.004 118.723 -4.719 19294 2608 1 14 . 1 1 58 58 TRP H H 58 5.902 5.902 7.854 -1.952 19294 2609 1 14 . 1 1 59 59 HIS N N 59 125.034 125.034 120.370 4.664 19294 2610 1 14 . 1 1 59 59 HIS H H 59 8.658 8.658 8.194 0.464 19294 2611 1 14 . 1 1 61 61 ALA N N 61 123.740 123.740 121.193 2.547 19294 2612 1 14 . 1 1 61 61 ALA H H 61 8.220 8.220 8.324 -0.104 19294 2613 1 14 . 1 1 62 62 ARG N N 62 120.118 120.118 119.249 0.869 19294 2614 1 14 . 1 1 62 62 ARG H H 62 8.221 8.221 7.893 0.328 19294 2615 1 14 . 1 1 63 63 THR N N 63 114.028 114.028 112.995 1.033 19294 2616 1 14 . 1 1 63 63 THR H H 63 6.860 6.860 8.048 -1.188 19294 2617 1 14 . 1 1 64 64 VAL N N 64 120.498 120.498 117.755 2.743 19294 2618 1 14 . 1 1 64 64 VAL H H 64 8.104 8.104 7.456 0.648 19294 2619 1 14 . 1 1 65 65 SER N N 65 113.818 113.818 115.637 -1.819 19294 2620 1 14 . 1 1 65 65 SER H H 65 8.210 8.210 8.103 0.107 19294 2621 1 14 . 1 1 66 66 GLN N N 66 119.304 119.304 120.834 -1.530 19294 2622 1 14 . 1 1 66 66 GLN H H 66 7.471 7.471 8.342 -0.871 19294 2623 1 14 . 1 1 67 67 LEU N N 67 118.987 118.987 120.222 -1.235 19294 2624 1 14 . 1 1 67 67 LEU H H 67 7.724 7.724 8.236 -0.512 19294 2625 1 14 . 1 1 68 68 TYR N N 68 118.918 118.918 117.489 1.429 19294 2626 1 14 . 1 1 68 68 TYR H H 68 7.560 7.560 8.826 -1.266 19294 2627 1 14 . 1 1 69 69 ASP N N 69 119.021 119.021 120.677 -1.656 19294 2628 1 14 . 1 1 69 69 ASP H H 69 8.611 8.611 7.741 0.870 19294 2629 1 14 . 1 1 70 70 HIS N N 70 119.566 119.566 118.174 1.392 19294 2630 1 14 . 1 1 70 70 HIS H H 70 8.217 8.217 7.475 0.742 19294 2631 1 14 . 1 1 71 71 TRP N N 71 122.074 122.074 122.189 -0.115 19294 2632 1 14 . 1 1 71 71 TRP H H 71 8.510 8.510 8.790 -0.280 19294 2633 1 14 . 1 1 73 73 GLY N N 73 102.171 102.171 105.179 -3.008 19294 2634 1 14 . 1 1 73 73 GLY H H 73 7.977 7.977 7.933 0.044 19294 2635 1 14 . 1 1 74 74 THR N N 74 112.306 112.306 114.129 -1.823 19294 2636 1 14 . 1 1 74 74 THR H H 74 7.190 7.190 7.660 -0.470 19294 2637 1 14 . 1 1 75 75 LEU N N 75 122.319 122.319 121.248 1.071 19294 2638 1 14 . 1 1 75 75 LEU H H 75 7.735 7.735 7.252 0.483 19294 2639 1 14 . 1 1 76 76 ARG N N 76 116.956 116.956 121.913 -4.957 19294 2640 1 14 . 1 1 76 76 ARG H H 76 8.188 8.188 7.853 0.335 19294 2641 1 14 . 1 1 80 80 ILE N N 80 122.069 122.069 121.478 0.591 19294 2642 1 14 . 1 1 80 80 ILE H H 80 7.862 7.862 7.576 0.286 19294 2643 1 14 . 1 1 81 81 GLN N N 81 122.536 122.536 125.452 -2.916 19294 2644 1 14 . 1 1 81 81 GLN H H 81 8.161 8.161 8.505 -0.344 19294 2645 1 14 . 1 1 83 83 GLN N N 83 120.732 120.732 121.686 -0.954 19294 2646 1 14 . 1 1 83 83 GLN H H 83 8.342 8.342 8.626 -0.284 19294 2647 1 14 . 1 1 84 84 GLY N N 84 109.358 109.358 109.793 -0.435 19294 2648 1 14 . 1 1 84 84 GLY H H 84 8.310 8.310 8.075 0.235 19294 2649 1 14 . 1 1 85 85 TYR N N 85 120.275 120.275 121.303 -1.028 19294 2650 1 14 . 1 1 85 85 TYR H H 85 8.026 8.026 8.280 -0.254 19294 2651 1 14 . 1 1 86 86 ARG N N 86 123.513 123.513 126.592 -3.079 19294 2652 1 14 . 1 1 86 86 ARG H H 86 8.217 8.217 8.621 -0.404 19294 2653 1 14 . 1 1 87 87 GLY N N 87 108.952 108.952 108.757 0.195 19294 2654 1 14 . 1 1 87 87 GLY H H 87 7.760 7.760 8.502 -0.742 19294 2655 1 14 . 1 1 88 88 LYS N N 88 120.704 120.704 123.543 -2.839 19294 2656 1 14 . 1 1 88 88 LYS H H 88 8.193 8.193 7.805 0.388 19294 2657 1 14 . 1 1 89 89 ASN N N 89 119.295 119.295 119.206 0.089 19294 2658 1 14 . 1 1 89 89 ASN H H 89 8.469 8.469 8.411 0.058 19294 2659 1 14 . 1 1 90 90 SER N N 90 116.172 116.172 118.591 -2.419 19294 2660 1 14 . 1 1 90 90 SER H H 90 8.164 8.164 8.325 -0.161 19294 2661 1 14 . 1 1 91 91 VAL N N 91 121.404 121.404 118.812 2.592 19294 2662 1 14 . 1 1 91 91 VAL H H 91 8.076 8.076 8.075 0.001 19294 2663 1 14 . 1 1 92 92 ALA N N 92 127.063 127.063 126.039 1.024 19294 2664 1 14 . 1 1 92 92 ALA H H 92 8.224 8.224 8.350 -0.126 19294 2665 1 14 . 1 1 93 93 ALA N N 93 123.146 123.146 122.928 0.218 19294 2666 1 14 . 1 1 93 93 ALA H H 93 8.128 8.128 8.406 -0.278 19294 2667 1 14 . 1 1 94 94 ARG N N 94 120.040 120.040 121.532 -1.492 19294 2668 1 14 . 1 1 94 94 ARG H H 94 8.178 8.178 8.908 -0.730 19294 2669 1 14 . 1 1 95 95 SER N N 95 118.524 118.524 117.715 0.809 19294 2670 1 14 . 1 1 95 95 SER H H 95 8.325 8.325 7.966 0.359 19294 2671 1 14 . 1 1 97 97 GLU N N 97 120.828 120.828 117.677 3.151 19294 2672 1 14 . 1 1 97 97 GLU H H 97 8.481 8.481 8.447 0.034 19294 2673 1 14 . 1 1 98 98 LYS N N 98 122.084 122.084 115.294 6.790 19294 2674 1 14 . 1 1 98 98 LYS H H 98 8.211 8.211 8.061 0.150 19294 2675 1 14 . 1 1 99 99 ALA N N 99 125.318 125.318 121.398 3.920 19294 2676 1 14 . 1 1 99 99 ALA H H 99 8.280 8.280 8.230 0.050 19294 2677 1 14 . 1 1 100 100 SER N N 100 114.843 114.843 110.848 3.995 19294 2678 1 14 . 1 1 100 100 SER H H 100 8.262 8.262 8.444 -0.182 19294 2679 1 14 . 1 1 101 101 ASN N N 101 120.169 120.169 117.411 2.758 19294 2680 1 14 . 1 1 101 101 ASN H H 101 8.260 8.260 8.321 -0.061 19294 2681 1 14 . 1 1 102 102 MET N N 102 120.309 120.309 115.514 4.795 19294 2682 1 14 . 1 1 102 102 MET H H 102 8.262 8.262 7.916 0.346 19294 2683 1 14 . 1 1 103 103 GLU N N 103 121.199 121.199 118.920 2.279 19294 2684 1 14 . 1 1 103 103 GLU H H 103 8.345 8.345 7.866 0.479 19294 2685 1 14 . 1 1 104 104 ASN N N 104 119.139 119.139 120.593 -1.454 19294 2686 1 14 . 1 1 104 104 ASN H H 104 8.385 8.385 8.721 -0.336 19294 2687 1 14 . 1 1 105 105 ASN N N 105 119.640 119.640 116.936 2.704 19294 2688 1 14 . 1 1 105 105 ASN H H 105 8.400 8.400 8.283 0.117 19294 2689 1 15 . 1 1 3 3 GLY N N 3 109.851 109.851 108.413 1.438 19294 2690 1 15 . 1 1 3 3 GLY H H 3 8.585 8.585 8.891 -0.306 19294 2691 1 15 . 1 1 4 4 SER N N 4 115.542 115.542 115.348 0.194 19294 2692 1 15 . 1 1 4 4 SER H H 4 8.129 8.129 8.410 -0.281 19294 2693 1 15 . 1 1 5 5 LEU N N 5 123.929 123.929 123.268 0.661 19294 2694 1 15 . 1 1 5 5 LEU H H 5 8.315 8.315 8.290 0.025 19294 2695 1 15 . 1 1 6 6 SER N N 6 115.912 115.912 113.491 2.421 19294 2696 1 15 . 1 1 6 6 SER H H 6 8.191 8.191 7.957 0.234 19294 2697 1 15 . 1 1 7 7 ASN N N 7 120.407 120.407 119.204 1.203 19294 2698 1 15 . 1 1 7 7 ASN H H 7 8.400 8.400 8.361 0.039 19294 2699 1 15 . 1 1 8 8 PHE N N 8 120.059 120.059 126.082 -6.023 19294 2700 1 15 . 1 1 8 8 PHE H H 8 8.083 8.083 9.014 -0.931 19294 2701 1 15 . 1 1 9 9 ALA N N 9 124.325 124.325 126.808 -2.483 19294 2702 1 15 . 1 1 9 9 ALA H H 9 8.072 8.072 8.089 -0.017 19294 2703 1 15 . 1 1 10 10 ASN N N 10 117.559 117.559 118.891 -1.332 19294 2704 1 15 . 1 1 10 10 ASN H H 10 8.237 8.237 8.541 -0.304 19294 2705 1 15 . 1 1 11 11 VAL N N 11 119.391 119.391 120.806 -1.415 19294 2706 1 15 . 1 1 11 11 VAL H H 11 7.949 7.949 7.788 0.161 19294 2707 1 15 . 1 1 12 12 GLY N N 12 112.124 112.124 116.470 -4.346 19294 2708 1 15 . 1 1 12 12 GLY H H 12 8.426 8.426 8.783 -0.357 19294 2709 1 15 . 1 1 13 13 VAL N N 13 118.978 118.978 121.126 -2.148 19294 2710 1 15 . 1 1 13 13 VAL H H 13 7.980 7.980 8.113 -0.133 19294 2711 1 15 . 1 1 14 14 GLY N N 14 112.259 112.259 106.183 6.076 19294 2712 1 15 . 1 1 14 14 GLY H H 14 8.510 8.510 7.801 0.709 19294 2713 1 15 . 1 1 15 15 THR N N 15 113.294 113.294 114.052 -0.758 19294 2714 1 15 . 1 1 15 15 THR H H 15 8.058 8.058 8.130 -0.072 19294 2715 1 15 . 1 1 16 16 SER N N 16 118.015 118.015 119.785 -1.770 19294 2716 1 15 . 1 1 16 16 SER H H 16 8.409 8.409 8.299 0.110 19294 2717 1 15 . 1 1 17 17 SER N N 17 117.642 117.642 114.481 3.161 19294 2718 1 15 . 1 1 17 17 SER H H 17 8.336 8.336 8.424 -0.088 19294 2719 1 15 . 1 1 18 18 GLY N N 18 110.661 110.661 108.043 2.618 19294 2720 1 15 . 1 1 18 18 GLY H H 18 8.369 8.369 8.333 0.036 19294 2721 1 15 . 1 1 19 19 LYS N N 19 120.510 120.510 122.327 -1.817 19294 2722 1 15 . 1 1 19 19 LYS H H 19 8.105 8.105 7.984 0.121 19294 2723 1 15 . 1 1 20 20 GLN N N 20 120.815 120.815 122.164 -1.349 19294 2724 1 15 . 1 1 20 20 GLN H H 20 8.255 8.255 8.537 -0.282 19294 2725 1 15 . 1 1 21 21 LYS N N 21 123.190 123.190 122.109 1.081 19294 2726 1 15 . 1 1 21 21 LYS H H 21 8.235 8.235 8.672 -0.437 19294 2727 1 15 . 1 1 22 22 ARG N N 22 122.038 122.038 121.164 0.874 19294 2728 1 15 . 1 1 22 22 ARG H H 22 8.005 8.005 8.418 -0.413 19294 2729 1 15 . 1 1 23 23 TYR N N 23 122.249 122.249 121.538 0.711 19294 2730 1 15 . 1 1 23 23 TYR H H 23 8.332 8.332 7.982 0.350 19294 2731 1 15 . 1 1 24 24 LYS N N 24 125.906 125.906 119.073 6.833 19294 2732 1 15 . 1 1 24 24 LYS H H 24 8.591 8.591 7.256 1.335 19294 2733 1 15 . 1 1 25 25 PHE N N 25 124.526 124.526 116.001 8.525 19294 2734 1 15 . 1 1 25 25 PHE H H 25 8.875 8.875 7.981 0.894 19294 2735 1 15 . 1 1 26 26 SER N N 26 121.585 121.585 122.455 -0.870 19294 2736 1 15 . 1 1 26 26 SER H H 26 9.536 9.536 8.827 0.709 19294 2737 1 15 . 1 1 27 27 ALA N N 27 124.035 124.035 123.566 0.469 19294 2738 1 15 . 1 1 27 27 ALA H H 27 9.042 9.042 8.672 0.370 19294 2739 1 15 . 1 1 28 28 SER N N 28 112.803 112.803 112.510 0.293 19294 2740 1 15 . 1 1 28 28 SER H H 28 8.323 8.323 8.696 -0.373 19294 2741 1 15 . 1 1 29 29 GLU N N 29 123.527 123.527 121.632 1.895 19294 2742 1 15 . 1 1 29 29 GLU H H 29 7.860 7.860 8.231 -0.371 19294 2743 1 15 . 1 1 30 30 ASP N N 30 120.194 120.194 119.481 0.713 19294 2744 1 15 . 1 1 30 30 ASP H H 30 8.262 8.262 8.137 0.125 19294 2745 1 15 . 1 1 31 31 GLU N N 31 117.806 117.806 119.095 -1.289 19294 2746 1 15 . 1 1 31 31 GLU H H 31 8.179 8.179 8.583 -0.404 19294 2747 1 15 . 1 1 32 32 ALA N N 32 121.610 121.610 122.216 -0.606 19294 2748 1 15 . 1 1 32 32 ALA H H 32 7.639 7.639 7.404 0.235 19294 2749 1 15 . 1 1 33 33 ILE N N 33 117.076 117.076 118.566 -1.490 19294 2750 1 15 . 1 1 33 33 ILE H H 33 8.144 8.144 7.368 0.776 19294 2751 1 15 . 1 1 34 34 ILE N N 34 118.607 118.607 118.018 0.589 19294 2752 1 15 . 1 1 34 34 ILE H H 34 7.925 7.925 8.057 -0.132 19294 2753 1 15 . 1 1 35 35 LYS N N 35 120.394 120.394 120.546 -0.152 19294 2754 1 15 . 1 1 35 35 LYS H H 35 8.578 8.578 7.866 0.712 19294 2755 1 15 . 1 1 36 36 GLY N N 36 110.322 110.322 107.826 2.496 19294 2756 1 15 . 1 1 36 36 GLY H H 36 8.866 8.866 8.076 0.790 19294 2757 1 15 . 1 1 37 37 LEU N N 37 123.178 123.178 123.358 -0.180 19294 2758 1 15 . 1 1 37 37 LEU H H 37 8.610 8.610 8.535 0.075 19294 2759 1 15 . 1 1 38 38 ALA N N 38 117.618 117.618 120.889 -3.271 19294 2760 1 15 . 1 1 38 38 ALA H H 38 7.016 7.016 7.661 -0.645 19294 2761 1 15 . 1 1 39 39 ARG N N 39 118.101 118.101 118.001 0.100 19294 2762 1 15 . 1 1 39 39 ARG H H 39 7.274 7.274 7.483 -0.209 19294 2763 1 15 . 1 1 40 40 PHE N N 40 120.820 120.820 120.216 0.604 19294 2764 1 15 . 1 1 40 40 PHE H H 40 8.317 8.317 7.553 0.764 19294 2765 1 15 . 1 1 41 41 THR N N 41 111.784 111.784 113.081 -1.297 19294 2766 1 15 . 1 1 41 41 THR H H 41 7.967 7.967 8.005 -0.038 19294 2767 1 15 . 1 1 42 42 LYS N N 42 119.745 119.745 122.216 -2.471 19294 2768 1 15 . 1 1 42 42 LYS H H 42 7.909 7.909 8.276 -0.367 19294 2769 1 15 . 1 1 43 43 GLY N N 43 109.836 109.836 108.955 0.881 19294 2770 1 15 . 1 1 43 43 GLY H H 43 8.413 8.413 7.818 0.595 19294 2771 1 15 . 1 1 44 44 GLN N N 44 119.385 119.385 119.432 -0.047 19294 2772 1 15 . 1 1 44 44 GLN H H 44 8.701 8.701 8.431 0.270 19294 2773 1 15 . 1 1 45 45 GLN N N 45 117.945 117.945 116.739 1.206 19294 2774 1 15 . 1 1 45 45 GLN H H 45 8.701 8.701 8.029 0.672 19294 2775 1 15 . 1 1 46 46 ARG N N 46 120.031 120.031 121.960 -1.929 19294 2776 1 15 . 1 1 46 46 ARG H H 46 7.508 7.508 8.522 -1.014 19294 2777 1 15 . 1 1 47 47 PHE N N 47 114.942 114.942 117.573 -2.631 19294 2778 1 15 . 1 1 47 47 PHE H H 47 8.192 8.192 7.846 0.346 19294 2779 1 15 . 1 1 48 48 GLN N N 48 122.079 122.079 118.075 4.004 19294 2780 1 15 . 1 1 48 48 GLN H H 48 7.952 7.952 8.497 -0.545 19294 2781 1 15 . 1 1 49 49 GLN N N 49 117.512 117.512 119.684 -2.172 19294 2782 1 15 . 1 1 49 49 GLN H H 49 7.873 7.873 7.700 0.173 19294 2783 1 15 . 1 1 50 50 ILE N N 50 119.870 119.870 120.477 -0.607 19294 2784 1 15 . 1 1 50 50 ILE H H 50 8.000 8.000 8.441 -0.441 19294 2785 1 15 . 1 1 51 51 TYR N N 51 119.329 119.329 121.963 -2.634 19294 2786 1 15 . 1 1 51 51 TYR H H 51 8.349 8.349 7.906 0.443 19294 2787 1 15 . 1 1 52 52 TYR N N 52 114.638 114.638 115.959 -1.321 19294 2788 1 15 . 1 1 52 52 TYR H H 52 8.042 8.042 7.845 0.197 19294 2789 1 15 . 1 1 53 53 ALA N N 53 122.239 122.239 121.494 0.745 19294 2790 1 15 . 1 1 53 53 ALA H H 53 8.332 8.332 7.620 0.712 19294 2791 1 15 . 1 1 54 54 TYR N N 54 115.435 115.435 118.293 -2.858 19294 2792 1 15 . 1 1 54 54 TYR H H 54 7.358 7.358 8.522 -1.164 19294 2793 1 15 . 1 1 55 55 ARG N N 55 118.154 118.154 122.118 -3.964 19294 2794 1 15 . 1 1 55 55 ARG H H 55 6.625 6.625 7.463 -0.838 19294 2795 1 15 . 1 1 56 56 SER N N 56 110.807 110.807 112.756 -1.949 19294 2796 1 15 . 1 1 56 56 SER H H 56 8.149 8.149 7.781 0.368 19294 2797 1 15 . 1 1 57 57 VAL N N 57 120.648 120.648 116.899 3.749 19294 2798 1 15 . 1 1 57 57 VAL H H 57 7.790 7.790 7.593 0.197 19294 2799 1 15 . 1 1 58 58 TRP N N 58 114.004 114.004 120.290 -6.286 19294 2800 1 15 . 1 1 58 58 TRP H H 58 5.902 5.902 7.479 -1.577 19294 2801 1 15 . 1 1 59 59 HIS N N 59 125.034 125.034 120.597 4.437 19294 2802 1 15 . 1 1 59 59 HIS H H 59 8.658 8.658 8.549 0.109 19294 2803 1 15 . 1 1 61 61 ALA N N 61 123.740 123.740 122.912 0.828 19294 2804 1 15 . 1 1 61 61 ALA H H 61 8.220 8.220 8.117 0.103 19294 2805 1 15 . 1 1 62 62 ARG N N 62 120.118 120.118 119.306 0.812 19294 2806 1 15 . 1 1 62 62 ARG H H 62 8.221 8.221 8.458 -0.237 19294 2807 1 15 . 1 1 63 63 THR N N 63 114.028 114.028 115.057 -1.029 19294 2808 1 15 . 1 1 63 63 THR H H 63 6.860 6.860 8.207 -1.347 19294 2809 1 15 . 1 1 64 64 VAL N N 64 120.498 120.498 122.768 -2.270 19294 2810 1 15 . 1 1 64 64 VAL H H 64 8.104 8.104 7.368 0.736 19294 2811 1 15 . 1 1 65 65 SER N N 65 113.818 113.818 114.048 -0.230 19294 2812 1 15 . 1 1 65 65 SER H H 65 8.210 8.210 7.982 0.228 19294 2813 1 15 . 1 1 66 66 GLN N N 66 119.304 119.304 119.296 0.008 19294 2814 1 15 . 1 1 66 66 GLN H H 66 7.471 7.471 7.191 0.280 19294 2815 1 15 . 1 1 67 67 LEU N N 67 118.987 118.987 120.715 -1.728 19294 2816 1 15 . 1 1 67 67 LEU H H 67 7.724 7.724 7.237 0.487 19294 2817 1 15 . 1 1 68 68 TYR N N 68 118.918 118.918 116.647 2.271 19294 2818 1 15 . 1 1 68 68 TYR H H 68 7.560 7.560 8.012 -0.452 19294 2819 1 15 . 1 1 69 69 ASP N N 69 119.021 119.021 120.572 -1.551 19294 2820 1 15 . 1 1 69 69 ASP H H 69 8.611 8.611 7.527 1.084 19294 2821 1 15 . 1 1 70 70 HIS N N 70 119.566 119.566 118.445 1.121 19294 2822 1 15 . 1 1 70 70 HIS H H 70 8.217 8.217 7.305 0.912 19294 2823 1 15 . 1 1 71 71 TRP N N 71 122.074 122.074 121.689 0.385 19294 2824 1 15 . 1 1 71 71 TRP H H 71 8.510 8.510 8.942 -0.432 19294 2825 1 15 . 1 1 73 73 GLY N N 73 102.171 102.171 105.609 -3.438 19294 2826 1 15 . 1 1 73 73 GLY H H 73 7.977 7.977 8.050 -0.073 19294 2827 1 15 . 1 1 74 74 THR N N 74 112.306 112.306 116.224 -3.918 19294 2828 1 15 . 1 1 74 74 THR H H 74 7.190 7.190 7.681 -0.491 19294 2829 1 15 . 1 1 75 75 LEU N N 75 122.319 122.319 121.151 1.168 19294 2830 1 15 . 1 1 75 75 LEU H H 75 7.735 7.735 7.662 0.073 19294 2831 1 15 . 1 1 76 76 ARG N N 76 116.956 116.956 115.906 1.050 19294 2832 1 15 . 1 1 76 76 ARG H H 76 8.188 8.188 7.869 0.319 19294 2833 1 15 . 1 1 80 80 ILE N N 80 122.069 122.069 123.809 -1.740 19294 2834 1 15 . 1 1 80 80 ILE H H 80 7.862 7.862 8.167 -0.305 19294 2835 1 15 . 1 1 81 81 GLN N N 81 122.536 122.536 121.386 1.150 19294 2836 1 15 . 1 1 81 81 GLN H H 81 8.161 8.161 8.053 0.108 19294 2837 1 15 . 1 1 83 83 GLN N N 83 120.732 120.732 124.122 -3.390 19294 2838 1 15 . 1 1 83 83 GLN H H 83 8.342 8.342 8.956 -0.614 19294 2839 1 15 . 1 1 84 84 GLY N N 84 109.358 109.358 106.778 2.580 19294 2840 1 15 . 1 1 84 84 GLY H H 84 8.310 8.310 7.917 0.393 19294 2841 1 15 . 1 1 85 85 TYR N N 85 120.275 120.275 121.582 -1.307 19294 2842 1 15 . 1 1 85 85 TYR H H 85 8.026 8.026 8.625 -0.599 19294 2843 1 15 . 1 1 86 86 ARG N N 86 123.513 123.513 122.569 0.944 19294 2844 1 15 . 1 1 86 86 ARG H H 86 8.217 8.217 8.931 -0.714 19294 2845 1 15 . 1 1 87 87 GLY N N 87 108.952 108.952 109.711 -0.759 19294 2846 1 15 . 1 1 87 87 GLY H H 87 7.760 7.760 8.577 -0.817 19294 2847 1 15 . 1 1 88 88 LYS N N 88 120.704 120.704 126.030 -5.326 19294 2848 1 15 . 1 1 88 88 LYS H H 88 8.193 8.193 8.236 -0.043 19294 2849 1 15 . 1 1 89 89 ASN N N 89 119.295 119.295 122.999 -3.704 19294 2850 1 15 . 1 1 89 89 ASN H H 89 8.469 8.469 8.815 -0.346 19294 2851 1 15 . 1 1 90 90 SER N N 90 116.172 116.172 116.543 -0.371 19294 2852 1 15 . 1 1 90 90 SER H H 90 8.164 8.164 8.171 -0.007 19294 2853 1 15 . 1 1 91 91 VAL N N 91 121.404 121.404 121.368 0.036 19294 2854 1 15 . 1 1 91 91 VAL H H 91 8.076 8.076 8.237 -0.161 19294 2855 1 15 . 1 1 92 92 ALA N N 92 127.063 127.063 126.447 0.616 19294 2856 1 15 . 1 1 92 92 ALA H H 92 8.224 8.224 8.093 0.131 19294 2857 1 15 . 1 1 93 93 ALA N N 93 123.146 123.146 124.724 -1.578 19294 2858 1 15 . 1 1 93 93 ALA H H 93 8.128 8.128 8.444 -0.316 19294 2859 1 15 . 1 1 94 94 ARG N N 94 120.040 120.040 121.016 -0.976 19294 2860 1 15 . 1 1 94 94 ARG H H 94 8.178 8.178 8.656 -0.478 19294 2861 1 15 . 1 1 95 95 SER N N 95 118.524 118.524 117.635 0.889 19294 2862 1 15 . 1 1 95 95 SER H H 95 8.325 8.325 8.191 0.134 19294 2863 1 15 . 1 1 97 97 GLU N N 97 120.828 120.828 119.855 0.973 19294 2864 1 15 . 1 1 97 97 GLU H H 97 8.481 8.481 8.566 -0.085 19294 2865 1 15 . 1 1 98 98 LYS N N 98 122.084 122.084 122.303 -0.219 19294 2866 1 15 . 1 1 98 98 LYS H H 98 8.211 8.211 8.282 -0.071 19294 2867 1 15 . 1 1 99 99 ALA N N 99 125.318 125.318 123.391 1.927 19294 2868 1 15 . 1 1 99 99 ALA H H 99 8.280 8.280 7.831 0.449 19294 2869 1 15 . 1 1 100 100 SER N N 100 114.843 114.843 116.826 -1.983 19294 2870 1 15 . 1 1 100 100 SER H H 100 8.262 8.262 8.231 0.031 19294 2871 1 15 . 1 1 101 101 ASN N N 101 120.169 120.169 121.290 -1.121 19294 2872 1 15 . 1 1 101 101 ASN H H 101 8.260 8.260 8.582 -0.322 19294 2873 1 15 . 1 1 102 102 MET N N 102 120.309 120.309 114.995 5.314 19294 2874 1 15 . 1 1 102 102 MET H H 102 8.262 8.262 7.553 0.709 19294 2875 1 15 . 1 1 103 103 GLU N N 103 121.199 121.199 119.337 1.862 19294 2876 1 15 . 1 1 103 103 GLU H H 103 8.345 8.345 8.778 -0.433 19294 2877 1 15 . 1 1 104 104 ASN N N 104 119.139 119.139 118.770 0.369 19294 2878 1 15 . 1 1 104 104 ASN H H 104 8.385 8.385 8.365 0.020 19294 2879 1 15 . 1 1 105 105 ASN N N 105 119.640 119.640 119.213 0.427 19294 2880 1 15 . 1 1 105 105 ASN H H 105 8.400 8.400 8.636 -0.236 19294 2881 1 16 . 1 1 3 3 GLY N N 3 109.851 109.851 112.087 -2.236 19294 2882 1 16 . 1 1 3 3 GLY H H 3 8.585 8.585 8.136 0.449 19294 2883 1 16 . 1 1 4 4 SER N N 4 115.542 115.542 117.716 -2.174 19294 2884 1 16 . 1 1 4 4 SER H H 4 8.129 8.129 8.313 -0.184 19294 2885 1 16 . 1 1 5 5 LEU N N 5 123.929 123.929 128.723 -4.794 19294 2886 1 16 . 1 1 5 5 LEU H H 5 8.315 8.315 8.517 -0.202 19294 2887 1 16 . 1 1 6 6 SER N N 6 115.912 115.912 119.299 -3.387 19294 2888 1 16 . 1 1 6 6 SER H H 6 8.191 8.191 7.836 0.355 19294 2889 1 16 . 1 1 7 7 ASN N N 7 120.407 120.407 122.406 -1.999 19294 2890 1 16 . 1 1 7 7 ASN H H 7 8.400 8.400 8.622 -0.222 19294 2891 1 16 . 1 1 8 8 PHE N N 8 120.059 120.059 119.156 0.903 19294 2892 1 16 . 1 1 8 8 PHE H H 8 8.083 8.083 7.467 0.616 19294 2893 1 16 . 1 1 9 9 ALA N N 9 124.325 124.325 124.242 0.083 19294 2894 1 16 . 1 1 9 9 ALA H H 9 8.072 8.072 6.668 1.404 19294 2895 1 16 . 1 1 10 10 ASN N N 10 117.559 117.559 119.195 -1.636 19294 2896 1 16 . 1 1 10 10 ASN H H 10 8.237 8.237 8.477 -0.240 19294 2897 1 16 . 1 1 11 11 VAL N N 11 119.391 119.391 119.539 -0.148 19294 2898 1 16 . 1 1 11 11 VAL H H 11 7.949 7.949 7.640 0.309 19294 2899 1 16 . 1 1 12 12 GLY N N 12 112.124 112.124 114.800 -2.676 19294 2900 1 16 . 1 1 12 12 GLY H H 12 8.426 8.426 8.295 0.131 19294 2901 1 16 . 1 1 13 13 VAL N N 13 118.978 118.978 118.416 0.562 19294 2902 1 16 . 1 1 13 13 VAL H H 13 7.980 7.980 8.435 -0.455 19294 2903 1 16 . 1 1 14 14 GLY N N 14 112.259 112.259 111.838 0.421 19294 2904 1 16 . 1 1 14 14 GLY H H 14 8.510 8.510 8.122 0.388 19294 2905 1 16 . 1 1 15 15 THR N N 15 113.294 113.294 113.792 -0.498 19294 2906 1 16 . 1 1 15 15 THR H H 15 8.058 8.058 7.786 0.272 19294 2907 1 16 . 1 1 16 16 SER N N 16 118.015 118.015 117.079 0.936 19294 2908 1 16 . 1 1 16 16 SER H H 16 8.409 8.409 8.335 0.074 19294 2909 1 16 . 1 1 17 17 SER N N 17 117.642 117.642 118.410 -0.768 19294 2910 1 16 . 1 1 17 17 SER H H 17 8.336 8.336 8.245 0.091 19294 2911 1 16 . 1 1 18 18 GLY N N 18 110.661 110.661 109.272 1.389 19294 2912 1 16 . 1 1 18 18 GLY H H 18 8.369 8.369 8.176 0.193 19294 2913 1 16 . 1 1 19 19 LYS N N 19 120.510 120.510 120.467 0.043 19294 2914 1 16 . 1 1 19 19 LYS H H 19 8.105 8.105 7.978 0.127 19294 2915 1 16 . 1 1 20 20 GLN N N 20 120.815 120.815 120.989 -0.174 19294 2916 1 16 . 1 1 20 20 GLN H H 20 8.255 8.255 8.198 0.057 19294 2917 1 16 . 1 1 21 21 LYS N N 21 123.190 123.190 124.164 -0.974 19294 2918 1 16 . 1 1 21 21 LYS H H 21 8.235 8.235 8.645 -0.410 19294 2919 1 16 . 1 1 22 22 ARG N N 22 122.038 122.038 123.915 -1.877 19294 2920 1 16 . 1 1 22 22 ARG H H 22 8.005 8.005 8.886 -0.881 19294 2921 1 16 . 1 1 23 23 TYR N N 23 122.249 122.249 118.416 3.833 19294 2922 1 16 . 1 1 23 23 TYR H H 23 8.332 8.332 7.568 0.764 19294 2923 1 16 . 1 1 24 24 LYS N N 24 125.906 125.906 118.155 7.751 19294 2924 1 16 . 1 1 24 24 LYS H H 24 8.591 8.591 8.462 0.129 19294 2925 1 16 . 1 1 25 25 PHE N N 25 124.526 124.526 117.431 7.095 19294 2926 1 16 . 1 1 25 25 PHE H H 25 8.875 8.875 8.020 0.855 19294 2927 1 16 . 1 1 26 26 SER N N 26 121.585 121.585 121.716 -0.131 19294 2928 1 16 . 1 1 26 26 SER H H 26 9.536 9.536 9.214 0.322 19294 2929 1 16 . 1 1 27 27 ALA N N 27 124.035 124.035 125.615 -1.580 19294 2930 1 16 . 1 1 27 27 ALA H H 27 9.042 9.042 8.836 0.206 19294 2931 1 16 . 1 1 28 28 SER N N 28 112.803 112.803 116.321 -3.518 19294 2932 1 16 . 1 1 28 28 SER H H 28 8.323 8.323 8.033 0.290 19294 2933 1 16 . 1 1 29 29 GLU N N 29 123.527 123.527 120.091 3.436 19294 2934 1 16 . 1 1 29 29 GLU H H 29 7.860 7.860 7.428 0.432 19294 2935 1 16 . 1 1 30 30 ASP N N 30 120.194 120.194 119.272 0.922 19294 2936 1 16 . 1 1 30 30 ASP H H 30 8.262 8.262 7.779 0.483 19294 2937 1 16 . 1 1 31 31 GLU N N 31 117.806 117.806 118.347 -0.541 19294 2938 1 16 . 1 1 31 31 GLU H H 31 8.179 8.179 7.514 0.665 19294 2939 1 16 . 1 1 32 32 ALA N N 32 121.610 121.610 122.148 -0.538 19294 2940 1 16 . 1 1 32 32 ALA H H 32 7.639 7.639 7.427 0.212 19294 2941 1 16 . 1 1 33 33 ILE N N 33 117.076 117.076 118.071 -0.995 19294 2942 1 16 . 1 1 33 33 ILE H H 33 8.144 8.144 7.256 0.888 19294 2943 1 16 . 1 1 34 34 ILE N N 34 118.607 118.607 117.295 1.312 19294 2944 1 16 . 1 1 34 34 ILE H H 34 7.925 7.925 8.027 -0.102 19294 2945 1 16 . 1 1 35 35 LYS N N 35 120.394 120.394 120.216 0.178 19294 2946 1 16 . 1 1 35 35 LYS H H 35 8.578 8.578 7.775 0.803 19294 2947 1 16 . 1 1 36 36 GLY N N 36 110.322 110.322 106.896 3.426 19294 2948 1 16 . 1 1 36 36 GLY H H 36 8.866 8.866 7.569 1.297 19294 2949 1 16 . 1 1 37 37 LEU N N 37 123.178 123.178 121.040 2.138 19294 2950 1 16 . 1 1 37 37 LEU H H 37 8.610 8.610 7.519 1.091 19294 2951 1 16 . 1 1 38 38 ALA N N 38 117.618 117.618 118.971 -1.353 19294 2952 1 16 . 1 1 38 38 ALA H H 38 7.016 7.016 7.578 -0.562 19294 2953 1 16 . 1 1 39 39 ARG N N 39 118.101 118.101 118.743 -0.642 19294 2954 1 16 . 1 1 39 39 ARG H H 39 7.274 7.274 7.478 -0.204 19294 2955 1 16 . 1 1 40 40 PHE N N 40 120.820 120.820 114.942 5.878 19294 2956 1 16 . 1 1 40 40 PHE H H 40 8.317 8.317 7.441 0.876 19294 2957 1 16 . 1 1 41 41 THR N N 41 111.784 111.784 111.614 0.170 19294 2958 1 16 . 1 1 41 41 THR H H 41 7.967 7.967 8.436 -0.469 19294 2959 1 16 . 1 1 42 42 LYS N N 42 119.745 119.745 122.479 -2.734 19294 2960 1 16 . 1 1 42 42 LYS H H 42 7.909 7.909 8.309 -0.400 19294 2961 1 16 . 1 1 43 43 GLY N N 43 109.836 109.836 108.613 1.223 19294 2962 1 16 . 1 1 43 43 GLY H H 43 8.413 8.413 7.711 0.702 19294 2963 1 16 . 1 1 44 44 GLN N N 44 119.385 119.385 120.645 -1.260 19294 2964 1 16 . 1 1 44 44 GLN H H 44 8.701 8.701 8.468 0.233 19294 2965 1 16 . 1 1 45 45 GLN N N 45 117.945 117.945 119.918 -1.973 19294 2966 1 16 . 1 1 45 45 GLN H H 45 8.701 8.701 8.658 0.043 19294 2967 1 16 . 1 1 46 46 ARG N N 46 120.031 120.031 121.501 -1.470 19294 2968 1 16 . 1 1 46 46 ARG H H 46 7.508 7.508 8.676 -1.168 19294 2969 1 16 . 1 1 47 47 PHE N N 47 114.942 114.942 118.636 -3.694 19294 2970 1 16 . 1 1 47 47 PHE H H 47 8.192 8.192 7.949 0.243 19294 2971 1 16 . 1 1 48 48 GLN N N 48 122.079 122.079 117.972 4.107 19294 2972 1 16 . 1 1 48 48 GLN H H 48 7.952 7.952 8.605 -0.653 19294 2973 1 16 . 1 1 49 49 GLN N N 49 117.512 117.512 120.543 -3.031 19294 2974 1 16 . 1 1 49 49 GLN H H 49 7.873 7.873 7.579 0.294 19294 2975 1 16 . 1 1 50 50 ILE N N 50 119.870 119.870 120.092 -0.222 19294 2976 1 16 . 1 1 50 50 ILE H H 50 8.000 8.000 8.272 -0.272 19294 2977 1 16 . 1 1 51 51 TYR N N 51 119.329 119.329 121.580 -2.251 19294 2978 1 16 . 1 1 51 51 TYR H H 51 8.349 8.349 7.987 0.362 19294 2979 1 16 . 1 1 52 52 TYR N N 52 114.638 114.638 115.429 -0.791 19294 2980 1 16 . 1 1 52 52 TYR H H 52 8.042 8.042 8.203 -0.161 19294 2981 1 16 . 1 1 53 53 ALA N N 53 122.239 122.239 121.596 0.643 19294 2982 1 16 . 1 1 53 53 ALA H H 53 8.332 8.332 7.766 0.566 19294 2983 1 16 . 1 1 54 54 TYR N N 54 115.435 115.435 118.203 -2.768 19294 2984 1 16 . 1 1 54 54 TYR H H 54 7.358 7.358 8.781 -1.423 19294 2985 1 16 . 1 1 55 55 ARG N N 55 118.154 118.154 120.425 -2.271 19294 2986 1 16 . 1 1 55 55 ARG H H 55 6.625 6.625 7.246 -0.621 19294 2987 1 16 . 1 1 56 56 SER N N 56 110.807 110.807 113.349 -2.542 19294 2988 1 16 . 1 1 56 56 SER H H 56 8.149 8.149 7.626 0.523 19294 2989 1 16 . 1 1 57 57 VAL N N 57 120.648 120.648 119.977 0.671 19294 2990 1 16 . 1 1 57 57 VAL H H 57 7.790 7.790 7.901 -0.111 19294 2991 1 16 . 1 1 58 58 TRP N N 58 114.004 114.004 119.967 -5.963 19294 2992 1 16 . 1 1 58 58 TRP H H 58 5.902 5.902 7.703 -1.801 19294 2993 1 16 . 1 1 59 59 HIS N N 59 125.034 125.034 113.751 11.283 19294 2994 1 16 . 1 1 59 59 HIS H H 59 8.658 8.658 7.931 0.727 19294 2995 1 16 . 1 1 61 61 ALA N N 61 123.740 123.740 119.199 4.541 19294 2996 1 16 . 1 1 61 61 ALA H H 61 8.220 8.220 7.829 0.391 19294 2997 1 16 . 1 1 62 62 ARG N N 62 120.118 120.118 120.984 -0.866 19294 2998 1 16 . 1 1 62 62 ARG H H 62 8.221 8.221 8.438 -0.217 19294 2999 1 16 . 1 1 63 63 THR N N 63 114.028 114.028 118.785 -4.757 19294 3000 1 16 . 1 1 63 63 THR H H 63 6.860 6.860 8.564 -1.704 19294 3001 1 16 . 1 1 64 64 VAL N N 64 120.498 120.498 123.532 -3.034 19294 3002 1 16 . 1 1 64 64 VAL H H 64 8.104 8.104 8.518 -0.414 19294 3003 1 16 . 1 1 65 65 SER N N 65 113.818 113.818 114.318 -0.500 19294 3004 1 16 . 1 1 65 65 SER H H 65 8.210 8.210 8.375 -0.165 19294 3005 1 16 . 1 1 66 66 GLN N N 66 119.304 119.304 120.856 -1.552 19294 3006 1 16 . 1 1 66 66 GLN H H 66 7.471 7.471 7.580 -0.109 19294 3007 1 16 . 1 1 67 67 LEU N N 67 118.987 118.987 121.073 -2.086 19294 3008 1 16 . 1 1 67 67 LEU H H 67 7.724 7.724 7.414 0.310 19294 3009 1 16 . 1 1 68 68 TYR N N 68 118.918 118.918 117.636 1.282 19294 3010 1 16 . 1 1 68 68 TYR H H 68 7.560 7.560 8.502 -0.942 19294 3011 1 16 . 1 1 69 69 ASP N N 69 119.021 119.021 120.514 -1.493 19294 3012 1 16 . 1 1 69 69 ASP H H 69 8.611 8.611 7.704 0.907 19294 3013 1 16 . 1 1 70 70 HIS N N 70 119.566 119.566 118.222 1.344 19294 3014 1 16 . 1 1 70 70 HIS H H 70 8.217 8.217 7.455 0.762 19294 3015 1 16 . 1 1 71 71 TRP N N 71 122.074 122.074 122.570 -0.496 19294 3016 1 16 . 1 1 71 71 TRP H H 71 8.510 8.510 8.814 -0.304 19294 3017 1 16 . 1 1 73 73 GLY N N 73 102.171 102.171 105.275 -3.104 19294 3018 1 16 . 1 1 73 73 GLY H H 73 7.977 7.977 7.976 0.001 19294 3019 1 16 . 1 1 74 74 THR N N 74 112.306 112.306 112.535 -0.229 19294 3020 1 16 . 1 1 74 74 THR H H 74 7.190 7.190 7.581 -0.391 19294 3021 1 16 . 1 1 75 75 LEU N N 75 122.319 122.319 121.491 0.828 19294 3022 1 16 . 1 1 75 75 LEU H H 75 7.735 7.735 7.426 0.309 19294 3023 1 16 . 1 1 76 76 ARG N N 76 116.956 116.956 114.733 2.223 19294 3024 1 16 . 1 1 76 76 ARG H H 76 8.188 8.188 7.624 0.564 19294 3025 1 16 . 1 1 80 80 ILE N N 80 122.069 122.069 122.363 -0.294 19294 3026 1 16 . 1 1 80 80 ILE H H 80 7.862 7.862 8.237 -0.375 19294 3027 1 16 . 1 1 81 81 GLN N N 81 122.536 122.536 124.980 -2.444 19294 3028 1 16 . 1 1 81 81 GLN H H 81 8.161 8.161 8.363 -0.202 19294 3029 1 16 . 1 1 83 83 GLN N N 83 120.732 120.732 120.326 0.406 19294 3030 1 16 . 1 1 83 83 GLN H H 83 8.342 8.342 7.872 0.470 19294 3031 1 16 . 1 1 84 84 GLY N N 84 109.358 109.358 111.255 -1.897 19294 3032 1 16 . 1 1 84 84 GLY H H 84 8.310 8.310 8.236 0.074 19294 3033 1 16 . 1 1 85 85 TYR N N 85 120.275 120.275 120.404 -0.129 19294 3034 1 16 . 1 1 85 85 TYR H H 85 8.026 8.026 8.401 -0.375 19294 3035 1 16 . 1 1 86 86 ARG N N 86 123.513 123.513 120.366 3.147 19294 3036 1 16 . 1 1 86 86 ARG H H 86 8.217 8.217 8.261 -0.044 19294 3037 1 16 . 1 1 87 87 GLY N N 87 108.952 108.952 108.539 0.413 19294 3038 1 16 . 1 1 87 87 GLY H H 87 7.760 7.760 8.326 -0.566 19294 3039 1 16 . 1 1 88 88 LYS N N 88 120.704 120.704 120.513 0.191 19294 3040 1 16 . 1 1 88 88 LYS H H 88 8.193 8.193 8.514 -0.321 19294 3041 1 16 . 1 1 89 89 ASN N N 89 119.295 119.295 117.703 1.592 19294 3042 1 16 . 1 1 89 89 ASN H H 89 8.469 8.469 8.157 0.312 19294 3043 1 16 . 1 1 90 90 SER N N 90 116.172 116.172 120.718 -4.546 19294 3044 1 16 . 1 1 90 90 SER H H 90 8.164 8.164 8.633 -0.469 19294 3045 1 16 . 1 1 91 91 VAL N N 91 121.404 121.404 119.836 1.568 19294 3046 1 16 . 1 1 91 91 VAL H H 91 8.076 8.076 7.969 0.107 19294 3047 1 16 . 1 1 92 92 ALA N N 92 127.063 127.063 128.787 -1.724 19294 3048 1 16 . 1 1 92 92 ALA H H 92 8.224 8.224 8.579 -0.355 19294 3049 1 16 . 1 1 93 93 ALA N N 93 123.146 123.146 122.514 0.632 19294 3050 1 16 . 1 1 93 93 ALA H H 93 8.128 8.128 7.621 0.507 19294 3051 1 16 . 1 1 94 94 ARG N N 94 120.040 120.040 121.916 -1.876 19294 3052 1 16 . 1 1 94 94 ARG H H 94 8.178 8.178 8.615 -0.437 19294 3053 1 16 . 1 1 95 95 SER N N 95 118.524 118.524 114.844 3.680 19294 3054 1 16 . 1 1 95 95 SER H H 95 8.325 8.325 7.572 0.753 19294 3055 1 16 . 1 1 97 97 GLU N N 97 120.828 120.828 120.270 0.558 19294 3056 1 16 . 1 1 97 97 GLU H H 97 8.481 8.481 8.606 -0.125 19294 3057 1 16 . 1 1 98 98 LYS N N 98 122.084 122.084 124.554 -2.470 19294 3058 1 16 . 1 1 98 98 LYS H H 98 8.211 8.211 8.338 -0.127 19294 3059 1 16 . 1 1 99 99 ALA N N 99 125.318 125.318 126.051 -0.733 19294 3060 1 16 . 1 1 99 99 ALA H H 99 8.280 8.280 8.673 -0.393 19294 3061 1 16 . 1 1 100 100 SER N N 100 114.843 114.843 119.696 -4.853 19294 3062 1 16 . 1 1 100 100 SER H H 100 8.262 8.262 8.756 -0.494 19294 3063 1 16 . 1 1 101 101 ASN N N 101 120.169 120.169 120.850 -0.681 19294 3064 1 16 . 1 1 101 101 ASN H H 101 8.260 8.260 8.160 0.100 19294 3065 1 16 . 1 1 102 102 MET N N 102 120.309 120.309 120.274 0.035 19294 3066 1 16 . 1 1 102 102 MET H H 102 8.262 8.262 8.417 -0.155 19294 3067 1 16 . 1 1 103 103 GLU N N 103 121.199 121.199 122.074 -0.875 19294 3068 1 16 . 1 1 103 103 GLU H H 103 8.345 8.345 8.658 -0.313 19294 3069 1 16 . 1 1 104 104 ASN N N 104 119.139 119.139 120.043 -0.904 19294 3070 1 16 . 1 1 104 104 ASN H H 104 8.385 8.385 8.269 0.116 19294 3071 1 16 . 1 1 105 105 ASN N N 105 119.640 119.640 117.512 2.128 19294 3072 1 16 . 1 1 105 105 ASN H H 105 8.400 8.400 8.437 -0.037 19294 3073 1 17 . 1 1 3 3 GLY N N 3 109.851 109.851 107.691 2.160 19294 3074 1 17 . 1 1 3 3 GLY H H 3 8.585 8.585 8.154 0.431 19294 3075 1 17 . 1 1 4 4 SER N N 4 115.542 115.542 114.972 0.570 19294 3076 1 17 . 1 1 4 4 SER H H 4 8.129 8.129 7.847 0.282 19294 3077 1 17 . 1 1 5 5 LEU N N 5 123.929 123.929 125.986 -2.057 19294 3078 1 17 . 1 1 5 5 LEU H H 5 8.315 8.315 8.361 -0.046 19294 3079 1 17 . 1 1 6 6 SER N N 6 115.912 115.912 118.531 -2.619 19294 3080 1 17 . 1 1 6 6 SER H H 6 8.191 8.191 8.495 -0.304 19294 3081 1 17 . 1 1 7 7 ASN N N 7 120.407 120.407 120.070 0.337 19294 3082 1 17 . 1 1 7 7 ASN H H 7 8.400 8.400 8.585 -0.185 19294 3083 1 17 . 1 1 8 8 PHE N N 8 120.059 120.059 120.606 -0.547 19294 3084 1 17 . 1 1 8 8 PHE H H 8 8.083 8.083 8.498 -0.415 19294 3085 1 17 . 1 1 9 9 ALA N N 9 124.325 124.325 127.196 -2.871 19294 3086 1 17 . 1 1 9 9 ALA H H 9 8.072 8.072 7.690 0.382 19294 3087 1 17 . 1 1 10 10 ASN N N 10 117.559 117.559 119.321 -1.762 19294 3088 1 17 . 1 1 10 10 ASN H H 10 8.237 8.237 8.472 -0.235 19294 3089 1 17 . 1 1 11 11 VAL N N 11 119.391 119.391 118.545 0.846 19294 3090 1 17 . 1 1 11 11 VAL H H 11 7.949 7.949 7.993 -0.044 19294 3091 1 17 . 1 1 12 12 GLY N N 12 112.124 112.124 108.447 3.677 19294 3092 1 17 . 1 1 12 12 GLY H H 12 8.426 8.426 8.836 -0.410 19294 3093 1 17 . 1 1 13 13 VAL N N 13 118.978 118.978 118.514 0.464 19294 3094 1 17 . 1 1 13 13 VAL H H 13 7.980 7.980 8.569 -0.589 19294 3095 1 17 . 1 1 14 14 GLY N N 14 112.259 112.259 107.866 4.393 19294 3096 1 17 . 1 1 14 14 GLY H H 14 8.510 8.510 7.753 0.757 19294 3097 1 17 . 1 1 15 15 THR N N 15 113.294 113.294 114.086 -0.792 19294 3098 1 17 . 1 1 15 15 THR H H 15 8.058 8.058 8.111 -0.053 19294 3099 1 17 . 1 1 16 16 SER N N 16 118.015 118.015 117.761 0.254 19294 3100 1 17 . 1 1 16 16 SER H H 16 8.409 8.409 7.877 0.532 19294 3101 1 17 . 1 1 17 17 SER N N 17 117.642 117.642 117.599 0.043 19294 3102 1 17 . 1 1 17 17 SER H H 17 8.336 8.336 8.551 -0.215 19294 3103 1 17 . 1 1 18 18 GLY N N 18 110.661 110.661 109.130 1.531 19294 3104 1 17 . 1 1 18 18 GLY H H 18 8.369 8.369 8.416 -0.047 19294 3105 1 17 . 1 1 19 19 LYS N N 19 120.510 120.510 121.453 -0.943 19294 3106 1 17 . 1 1 19 19 LYS H H 19 8.105 8.105 8.500 -0.395 19294 3107 1 17 . 1 1 20 20 GLN N N 20 120.815 120.815 119.836 0.979 19294 3108 1 17 . 1 1 20 20 GLN H H 20 8.255 8.255 8.403 -0.148 19294 3109 1 17 . 1 1 21 21 LYS N N 21 123.190 123.190 120.189 3.001 19294 3110 1 17 . 1 1 21 21 LYS H H 21 8.235 8.235 8.533 -0.298 19294 3111 1 17 . 1 1 22 22 ARG N N 22 122.038 122.038 122.658 -0.620 19294 3112 1 17 . 1 1 22 22 ARG H H 22 8.005 8.005 8.208 -0.203 19294 3113 1 17 . 1 1 23 23 TYR N N 23 122.249 122.249 122.791 -0.542 19294 3114 1 17 . 1 1 23 23 TYR H H 23 8.332 8.332 8.517 -0.185 19294 3115 1 17 . 1 1 24 24 LYS N N 24 125.906 125.906 119.947 5.959 19294 3116 1 17 . 1 1 24 24 LYS H H 24 8.591 8.591 8.210 0.381 19294 3117 1 17 . 1 1 25 25 PHE N N 25 124.526 124.526 124.012 0.514 19294 3118 1 17 . 1 1 25 25 PHE H H 25 8.875 8.875 8.384 0.491 19294 3119 1 17 . 1 1 26 26 SER N N 26 121.585 121.585 122.342 -0.757 19294 3120 1 17 . 1 1 26 26 SER H H 26 9.536 9.536 7.978 1.558 19294 3121 1 17 . 1 1 27 27 ALA N N 27 124.035 124.035 123.687 0.348 19294 3122 1 17 . 1 1 27 27 ALA H H 27 9.042 9.042 8.566 0.476 19294 3123 1 17 . 1 1 28 28 SER N N 28 112.803 112.803 116.881 -4.078 19294 3124 1 17 . 1 1 28 28 SER H H 28 8.323 8.323 8.612 -0.289 19294 3125 1 17 . 1 1 29 29 GLU N N 29 123.527 123.527 120.305 3.222 19294 3126 1 17 . 1 1 29 29 GLU H H 29 7.860 7.860 7.374 0.486 19294 3127 1 17 . 1 1 30 30 ASP N N 30 120.194 120.194 119.606 0.588 19294 3128 1 17 . 1 1 30 30 ASP H H 30 8.262 8.262 8.247 0.015 19294 3129 1 17 . 1 1 31 31 GLU N N 31 117.806 117.806 118.594 -0.788 19294 3130 1 17 . 1 1 31 31 GLU H H 31 8.179 8.179 8.342 -0.163 19294 3131 1 17 . 1 1 32 32 ALA N N 32 121.610 121.610 122.520 -0.910 19294 3132 1 17 . 1 1 32 32 ALA H H 32 7.639 7.639 7.307 0.332 19294 3133 1 17 . 1 1 33 33 ILE N N 33 117.076 117.076 118.549 -1.473 19294 3134 1 17 . 1 1 33 33 ILE H H 33 8.144 8.144 7.270 0.874 19294 3135 1 17 . 1 1 34 34 ILE N N 34 118.607 118.607 120.475 -1.868 19294 3136 1 17 . 1 1 34 34 ILE H H 34 7.925 7.925 7.742 0.183 19294 3137 1 17 . 1 1 35 35 LYS N N 35 120.394 120.394 119.726 0.668 19294 3138 1 17 . 1 1 35 35 LYS H H 35 8.578 8.578 7.793 0.785 19294 3139 1 17 . 1 1 36 36 GLY N N 36 110.322 110.322 107.454 2.868 19294 3140 1 17 . 1 1 36 36 GLY H H 36 8.866 8.866 7.885 0.981 19294 3141 1 17 . 1 1 37 37 LEU N N 37 123.178 123.178 122.026 1.152 19294 3142 1 17 . 1 1 37 37 LEU H H 37 8.610 8.610 8.416 0.194 19294 3143 1 17 . 1 1 38 38 ALA N N 38 117.618 117.618 119.472 -1.854 19294 3144 1 17 . 1 1 38 38 ALA H H 38 7.016 7.016 7.547 -0.531 19294 3145 1 17 . 1 1 39 39 ARG N N 39 118.101 118.101 117.122 0.979 19294 3146 1 17 . 1 1 39 39 ARG H H 39 7.274 7.274 7.465 -0.191 19294 3147 1 17 . 1 1 40 40 PHE N N 40 120.820 120.820 120.733 0.087 19294 3148 1 17 . 1 1 40 40 PHE H H 40 8.317 8.317 8.478 -0.161 19294 3149 1 17 . 1 1 41 41 THR N N 41 111.784 111.784 116.118 -4.334 19294 3150 1 17 . 1 1 41 41 THR H H 41 7.967 7.967 8.260 -0.293 19294 3151 1 17 . 1 1 42 42 LYS N N 42 119.745 119.745 121.451 -1.706 19294 3152 1 17 . 1 1 42 42 LYS H H 42 7.909 7.909 8.704 -0.795 19294 3153 1 17 . 1 1 43 43 GLY N N 43 109.836 109.836 108.022 1.814 19294 3154 1 17 . 1 1 43 43 GLY H H 43 8.413 8.413 7.575 0.838 19294 3155 1 17 . 1 1 44 44 GLN N N 44 119.385 119.385 119.067 0.318 19294 3156 1 17 . 1 1 44 44 GLN H H 44 8.701 8.701 8.509 0.192 19294 3157 1 17 . 1 1 45 45 GLN N N 45 117.945 117.945 118.813 -0.868 19294 3158 1 17 . 1 1 45 45 GLN H H 45 8.701 8.701 8.624 0.077 19294 3159 1 17 . 1 1 46 46 ARG N N 46 120.031 120.031 122.363 -2.332 19294 3160 1 17 . 1 1 46 46 ARG H H 46 7.508 7.508 8.539 -1.031 19294 3161 1 17 . 1 1 47 47 PHE N N 47 114.942 114.942 117.206 -2.264 19294 3162 1 17 . 1 1 47 47 PHE H H 47 8.192 8.192 8.588 -0.396 19294 3163 1 17 . 1 1 48 48 GLN N N 48 122.079 122.079 117.842 4.237 19294 3164 1 17 . 1 1 48 48 GLN H H 48 7.952 7.952 8.397 -0.445 19294 3165 1 17 . 1 1 49 49 GLN N N 49 117.512 117.512 120.517 -3.005 19294 3166 1 17 . 1 1 49 49 GLN H H 49 7.873 7.873 7.529 0.344 19294 3167 1 17 . 1 1 50 50 ILE N N 50 119.870 119.870 120.552 -0.682 19294 3168 1 17 . 1 1 50 50 ILE H H 50 8.000 8.000 8.519 -0.519 19294 3169 1 17 . 1 1 51 51 TYR N N 51 119.329 119.329 122.087 -2.758 19294 3170 1 17 . 1 1 51 51 TYR H H 51 8.349 8.349 7.923 0.426 19294 3171 1 17 . 1 1 52 52 TYR N N 52 114.638 114.638 116.230 -1.592 19294 3172 1 17 . 1 1 52 52 TYR H H 52 8.042 8.042 8.109 -0.067 19294 3173 1 17 . 1 1 53 53 ALA N N 53 122.239 122.239 121.688 0.551 19294 3174 1 17 . 1 1 53 53 ALA H H 53 8.332 8.332 7.676 0.656 19294 3175 1 17 . 1 1 54 54 TYR N N 54 115.435 115.435 116.203 -0.768 19294 3176 1 17 . 1 1 54 54 TYR H H 54 7.358 7.358 8.183 -0.825 19294 3177 1 17 . 1 1 55 55 ARG N N 55 118.154 118.154 123.165 -5.011 19294 3178 1 17 . 1 1 55 55 ARG H H 55 6.625 6.625 7.289 -0.664 19294 3179 1 17 . 1 1 56 56 SER N N 56 110.807 110.807 117.259 -6.452 19294 3180 1 17 . 1 1 56 56 SER H H 56 8.149 8.149 8.482 -0.333 19294 3181 1 17 . 1 1 57 57 VAL N N 57 120.648 120.648 113.523 7.125 19294 3182 1 17 . 1 1 57 57 VAL H H 57 7.790 7.790 7.589 0.201 19294 3183 1 17 . 1 1 58 58 TRP N N 58 114.004 114.004 120.893 -6.889 19294 3184 1 17 . 1 1 58 58 TRP H H 58 5.902 5.902 7.871 -1.969 19294 3185 1 17 . 1 1 59 59 HIS N N 59 125.034 125.034 118.356 6.678 19294 3186 1 17 . 1 1 59 59 HIS H H 59 8.658 8.658 8.094 0.564 19294 3187 1 17 . 1 1 61 61 ALA N N 61 123.740 123.740 125.722 -1.982 19294 3188 1 17 . 1 1 61 61 ALA H H 61 8.220 8.220 8.613 -0.393 19294 3189 1 17 . 1 1 62 62 ARG N N 62 120.118 120.118 118.658 1.460 19294 3190 1 17 . 1 1 62 62 ARG H H 62 8.221 8.221 7.963 0.258 19294 3191 1 17 . 1 1 63 63 THR N N 63 114.028 114.028 115.629 -1.601 19294 3192 1 17 . 1 1 63 63 THR H H 63 6.860 6.860 8.381 -1.521 19294 3193 1 17 . 1 1 64 64 VAL N N 64 120.498 120.498 122.840 -2.342 19294 3194 1 17 . 1 1 64 64 VAL H H 64 8.104 8.104 7.247 0.857 19294 3195 1 17 . 1 1 65 65 SER N N 65 113.818 113.818 114.346 -0.528 19294 3196 1 17 . 1 1 65 65 SER H H 65 8.210 8.210 8.102 0.108 19294 3197 1 17 . 1 1 66 66 GLN N N 66 119.304 119.304 120.120 -0.816 19294 3198 1 17 . 1 1 66 66 GLN H H 66 7.471 7.471 7.396 0.075 19294 3199 1 17 . 1 1 67 67 LEU N N 67 118.987 118.987 121.162 -2.175 19294 3200 1 17 . 1 1 67 67 LEU H H 67 7.724 7.724 7.746 -0.022 19294 3201 1 17 . 1 1 68 68 TYR N N 68 118.918 118.918 117.974 0.944 19294 3202 1 17 . 1 1 68 68 TYR H H 68 7.560 7.560 8.860 -1.300 19294 3203 1 17 . 1 1 69 69 ASP N N 69 119.021 119.021 120.825 -1.804 19294 3204 1 17 . 1 1 69 69 ASP H H 69 8.611 8.611 7.830 0.781 19294 3205 1 17 . 1 1 70 70 HIS N N 70 119.566 119.566 118.910 0.656 19294 3206 1 17 . 1 1 70 70 HIS H H 70 8.217 8.217 7.624 0.593 19294 3207 1 17 . 1 1 71 71 TRP N N 71 122.074 122.074 123.491 -1.417 19294 3208 1 17 . 1 1 71 71 TRP H H 71 8.510 8.510 8.933 -0.423 19294 3209 1 17 . 1 1 73 73 GLY N N 73 102.171 102.171 104.107 -1.936 19294 3210 1 17 . 1 1 73 73 GLY H H 73 7.977 7.977 7.994 -0.017 19294 3211 1 17 . 1 1 74 74 THR N N 74 112.306 112.306 114.713 -2.407 19294 3212 1 17 . 1 1 74 74 THR H H 74 7.190 7.190 7.702 -0.512 19294 3213 1 17 . 1 1 75 75 LEU N N 75 122.319 122.319 121.696 0.623 19294 3214 1 17 . 1 1 75 75 LEU H H 75 7.735 7.735 7.556 0.179 19294 3215 1 17 . 1 1 76 76 ARG N N 76 116.956 116.956 124.959 -8.003 19294 3216 1 17 . 1 1 76 76 ARG H H 76 8.188 8.188 8.303 -0.115 19294 3217 1 17 . 1 1 80 80 ILE N N 80 122.069 122.069 120.267 1.802 19294 3218 1 17 . 1 1 80 80 ILE H H 80 7.862 7.862 8.064 -0.202 19294 3219 1 17 . 1 1 81 81 GLN N N 81 122.536 122.536 116.876 5.660 19294 3220 1 17 . 1 1 81 81 GLN H H 81 8.161 8.161 8.036 0.125 19294 3221 1 17 . 1 1 83 83 GLN N N 83 120.732 120.732 120.484 0.248 19294 3222 1 17 . 1 1 83 83 GLN H H 83 8.342 8.342 7.812 0.530 19294 3223 1 17 . 1 1 84 84 GLY N N 84 109.358 109.358 109.972 -0.614 19294 3224 1 17 . 1 1 84 84 GLY H H 84 8.310 8.310 8.502 -0.192 19294 3225 1 17 . 1 1 85 85 TYR N N 85 120.275 120.275 119.856 0.419 19294 3226 1 17 . 1 1 85 85 TYR H H 85 8.026 8.026 7.961 0.065 19294 3227 1 17 . 1 1 86 86 ARG N N 86 123.513 123.513 121.300 2.213 19294 3228 1 17 . 1 1 86 86 ARG H H 86 8.217 8.217 8.791 -0.574 19294 3229 1 17 . 1 1 87 87 GLY N N 87 108.952 108.952 106.937 2.015 19294 3230 1 17 . 1 1 87 87 GLY H H 87 7.760 7.760 7.864 -0.104 19294 3231 1 17 . 1 1 88 88 LYS N N 88 120.704 120.704 117.586 3.118 19294 3232 1 17 . 1 1 88 88 LYS H H 88 8.193 8.193 8.773 -0.580 19294 3233 1 17 . 1 1 89 89 ASN N N 89 119.295 119.295 118.360 0.935 19294 3234 1 17 . 1 1 89 89 ASN H H 89 8.469 8.469 8.110 0.359 19294 3235 1 17 . 1 1 90 90 SER N N 90 116.172 116.172 119.243 -3.071 19294 3236 1 17 . 1 1 90 90 SER H H 90 8.164 8.164 8.138 0.026 19294 3237 1 17 . 1 1 91 91 VAL N N 91 121.404 121.404 120.098 1.306 19294 3238 1 17 . 1 1 91 91 VAL H H 91 8.076 8.076 7.685 0.391 19294 3239 1 17 . 1 1 92 92 ALA N N 92 127.063 127.063 126.110 0.953 19294 3240 1 17 . 1 1 92 92 ALA H H 92 8.224 8.224 8.192 0.032 19294 3241 1 17 . 1 1 93 93 ALA N N 93 123.146 123.146 122.519 0.627 19294 3242 1 17 . 1 1 93 93 ALA H H 93 8.128 8.128 8.602 -0.474 19294 3243 1 17 . 1 1 94 94 ARG N N 94 120.040 120.040 120.207 -0.167 19294 3244 1 17 . 1 1 94 94 ARG H H 94 8.178 8.178 8.206 -0.028 19294 3245 1 17 . 1 1 95 95 SER N N 95 118.524 118.524 113.575 4.949 19294 3246 1 17 . 1 1 95 95 SER H H 95 8.325 8.325 8.209 0.116 19294 3247 1 17 . 1 1 97 97 GLU N N 97 120.828 120.828 120.813 0.015 19294 3248 1 17 . 1 1 97 97 GLU H H 97 8.481 8.481 8.611 -0.130 19294 3249 1 17 . 1 1 98 98 LYS N N 98 122.084 122.084 124.656 -2.572 19294 3250 1 17 . 1 1 98 98 LYS H H 98 8.211 8.211 8.486 -0.275 19294 3251 1 17 . 1 1 99 99 ALA N N 99 125.318 125.318 124.984 0.334 19294 3252 1 17 . 1 1 99 99 ALA H H 99 8.280 8.280 8.409 -0.129 19294 3253 1 17 . 1 1 100 100 SER N N 100 114.843 114.843 114.399 0.444 19294 3254 1 17 . 1 1 100 100 SER H H 100 8.262 8.262 8.388 -0.126 19294 3255 1 17 . 1 1 101 101 ASN N N 101 120.169 120.169 117.819 2.350 19294 3256 1 17 . 1 1 101 101 ASN H H 101 8.260 8.260 7.713 0.547 19294 3257 1 17 . 1 1 102 102 MET N N 102 120.309 120.309 120.571 -0.262 19294 3258 1 17 . 1 1 102 102 MET H H 102 8.262 8.262 8.463 -0.201 19294 3259 1 17 . 1 1 103 103 GLU N N 103 121.199 121.199 122.635 -1.436 19294 3260 1 17 . 1 1 103 103 GLU H H 103 8.345 8.345 8.587 -0.242 19294 3261 1 17 . 1 1 104 104 ASN N N 104 119.139 119.139 120.781 -1.642 19294 3262 1 17 . 1 1 104 104 ASN H H 104 8.385 8.385 8.974 -0.589 19294 3263 1 17 . 1 1 105 105 ASN N N 105 119.640 119.640 118.271 1.369 19294 3264 1 17 . 1 1 105 105 ASN H H 105 8.400 8.400 8.386 0.014 19294 3265 1 18 . 1 1 3 3 GLY N N 3 109.851 109.851 108.952 0.899 19294 3266 1 18 . 1 1 3 3 GLY H H 3 8.585 8.585 8.964 -0.379 19294 3267 1 18 . 1 1 4 4 SER N N 4 115.542 115.542 116.387 -0.845 19294 3268 1 18 . 1 1 4 4 SER H H 4 8.129 8.129 8.946 -0.817 19294 3269 1 18 . 1 1 5 5 LEU N N 5 123.929 123.929 121.216 2.713 19294 3270 1 18 . 1 1 5 5 LEU H H 5 8.315 8.315 8.027 0.288 19294 3271 1 18 . 1 1 6 6 SER N N 6 115.912 115.912 117.089 -1.177 19294 3272 1 18 . 1 1 6 6 SER H H 6 8.191 8.191 8.442 -0.251 19294 3273 1 18 . 1 1 7 7 ASN N N 7 120.407 120.407 122.755 -2.348 19294 3274 1 18 . 1 1 7 7 ASN H H 7 8.400 8.400 8.331 0.069 19294 3275 1 18 . 1 1 8 8 PHE N N 8 120.059 120.059 119.831 0.228 19294 3276 1 18 . 1 1 8 8 PHE H H 8 8.083 8.083 8.479 -0.396 19294 3277 1 18 . 1 1 9 9 ALA N N 9 124.325 124.325 126.557 -2.232 19294 3278 1 18 . 1 1 9 9 ALA H H 9 8.072 8.072 8.478 -0.406 19294 3279 1 18 . 1 1 10 10 ASN N N 10 117.559 117.559 119.422 -1.863 19294 3280 1 18 . 1 1 10 10 ASN H H 10 8.237 8.237 8.460 -0.223 19294 3281 1 18 . 1 1 11 11 VAL N N 11 119.391 119.391 119.525 -0.134 19294 3282 1 18 . 1 1 11 11 VAL H H 11 7.949 7.949 7.758 0.191 19294 3283 1 18 . 1 1 12 12 GLY N N 12 112.124 112.124 110.022 2.102 19294 3284 1 18 . 1 1 12 12 GLY H H 12 8.426 8.426 7.907 0.519 19294 3285 1 18 . 1 1 13 13 VAL N N 13 118.978 118.978 122.718 -3.740 19294 3286 1 18 . 1 1 13 13 VAL H H 13 7.980 7.980 8.192 -0.212 19294 3287 1 18 . 1 1 14 14 GLY N N 14 112.259 112.259 116.430 -4.171 19294 3288 1 18 . 1 1 14 14 GLY H H 14 8.510 8.510 8.572 -0.062 19294 3289 1 18 . 1 1 15 15 THR N N 15 113.294 113.294 113.794 -0.500 19294 3290 1 18 . 1 1 15 15 THR H H 15 8.058 8.058 7.975 0.083 19294 3291 1 18 . 1 1 16 16 SER N N 16 118.015 118.015 116.021 1.994 19294 3292 1 18 . 1 1 16 16 SER H H 16 8.409 8.409 7.912 0.497 19294 3293 1 18 . 1 1 17 17 SER N N 17 117.642 117.642 115.170 2.472 19294 3294 1 18 . 1 1 17 17 SER H H 17 8.336 8.336 8.585 -0.249 19294 3295 1 18 . 1 1 18 18 GLY N N 18 110.661 110.661 110.374 0.287 19294 3296 1 18 . 1 1 18 18 GLY H H 18 8.369 8.369 8.465 -0.096 19294 3297 1 18 . 1 1 19 19 LYS N N 19 120.510 120.510 119.182 1.328 19294 3298 1 18 . 1 1 19 19 LYS H H 19 8.105 8.105 7.874 0.231 19294 3299 1 18 . 1 1 20 20 GLN N N 20 120.815 120.815 119.984 0.831 19294 3300 1 18 . 1 1 20 20 GLN H H 20 8.255 8.255 8.482 -0.227 19294 3301 1 18 . 1 1 21 21 LYS N N 21 123.190 123.190 120.361 2.829 19294 3302 1 18 . 1 1 21 21 LYS H H 21 8.235 8.235 8.347 -0.112 19294 3303 1 18 . 1 1 22 22 ARG N N 22 122.038 122.038 121.718 0.320 19294 3304 1 18 . 1 1 22 22 ARG H H 22 8.005 8.005 8.174 -0.169 19294 3305 1 18 . 1 1 23 23 TYR N N 23 122.249 122.249 124.828 -2.579 19294 3306 1 18 . 1 1 23 23 TYR H H 23 8.332 8.332 8.686 -0.354 19294 3307 1 18 . 1 1 24 24 LYS N N 24 125.906 125.906 122.945 2.961 19294 3308 1 18 . 1 1 24 24 LYS H H 24 8.591 8.591 8.322 0.269 19294 3309 1 18 . 1 1 25 25 PHE N N 25 124.526 124.526 121.452 3.074 19294 3310 1 18 . 1 1 25 25 PHE H H 25 8.875 8.875 7.813 1.062 19294 3311 1 18 . 1 1 26 26 SER N N 26 121.585 121.585 120.872 0.713 19294 3312 1 18 . 1 1 26 26 SER H H 26 9.536 9.536 8.518 1.018 19294 3313 1 18 . 1 1 27 27 ALA N N 27 124.035 124.035 123.299 0.736 19294 3314 1 18 . 1 1 27 27 ALA H H 27 9.042 9.042 8.428 0.614 19294 3315 1 18 . 1 1 28 28 SER N N 28 112.803 112.803 116.455 -3.652 19294 3316 1 18 . 1 1 28 28 SER H H 28 8.323 8.323 8.419 -0.096 19294 3317 1 18 . 1 1 29 29 GLU N N 29 123.527 123.527 119.814 3.713 19294 3318 1 18 . 1 1 29 29 GLU H H 29 7.860 7.860 7.539 0.321 19294 3319 1 18 . 1 1 30 30 ASP N N 30 120.194 120.194 120.889 -0.695 19294 3320 1 18 . 1 1 30 30 ASP H H 30 8.262 8.262 7.415 0.847 19294 3321 1 18 . 1 1 31 31 GLU N N 31 117.806 117.806 118.730 -0.924 19294 3322 1 18 . 1 1 31 31 GLU H H 31 8.179 8.179 7.615 0.564 19294 3323 1 18 . 1 1 32 32 ALA N N 32 121.610 121.610 121.410 0.200 19294 3324 1 18 . 1 1 32 32 ALA H H 32 7.639 7.639 7.155 0.484 19294 3325 1 18 . 1 1 33 33 ILE N N 33 117.076 117.076 118.963 -1.887 19294 3326 1 18 . 1 1 33 33 ILE H H 33 8.144 8.144 7.287 0.857 19294 3327 1 18 . 1 1 34 34 ILE N N 34 118.607 118.607 117.808 0.799 19294 3328 1 18 . 1 1 34 34 ILE H H 34 7.925 7.925 7.996 -0.071 19294 3329 1 18 . 1 1 35 35 LYS N N 35 120.394 120.394 120.405 -0.011 19294 3330 1 18 . 1 1 35 35 LYS H H 35 8.578 8.578 7.877 0.701 19294 3331 1 18 . 1 1 36 36 GLY N N 36 110.322 110.322 107.447 2.875 19294 3332 1 18 . 1 1 36 36 GLY H H 36 8.866 8.866 7.697 1.169 19294 3333 1 18 . 1 1 37 37 LEU N N 37 123.178 123.178 121.482 1.696 19294 3334 1 18 . 1 1 37 37 LEU H H 37 8.610 8.610 8.238 0.372 19294 3335 1 18 . 1 1 38 38 ALA N N 38 117.618 117.618 120.014 -2.396 19294 3336 1 18 . 1 1 38 38 ALA H H 38 7.016 7.016 7.698 -0.682 19294 3337 1 18 . 1 1 39 39 ARG N N 39 118.101 118.101 117.108 0.993 19294 3338 1 18 . 1 1 39 39 ARG H H 39 7.274 7.274 7.336 -0.062 19294 3339 1 18 . 1 1 40 40 PHE N N 40 120.820 120.820 118.971 1.849 19294 3340 1 18 . 1 1 40 40 PHE H H 40 8.317 8.317 7.463 0.854 19294 3341 1 18 . 1 1 41 41 THR N N 41 111.784 111.784 114.747 -2.963 19294 3342 1 18 . 1 1 41 41 THR H H 41 7.967 7.967 8.394 -0.427 19294 3343 1 18 . 1 1 42 42 LYS N N 42 119.745 119.745 123.470 -3.725 19294 3344 1 18 . 1 1 42 42 LYS H H 42 7.909 7.909 8.476 -0.567 19294 3345 1 18 . 1 1 43 43 GLY N N 43 109.836 109.836 105.739 4.097 19294 3346 1 18 . 1 1 43 43 GLY H H 43 8.413 8.413 7.919 0.494 19294 3347 1 18 . 1 1 44 44 GLN N N 44 119.385 119.385 120.021 -0.636 19294 3348 1 18 . 1 1 44 44 GLN H H 44 8.701 8.701 8.585 0.116 19294 3349 1 18 . 1 1 45 45 GLN N N 45 117.945 117.945 115.453 2.492 19294 3350 1 18 . 1 1 45 45 GLN H H 45 8.701 8.701 7.919 0.782 19294 3351 1 18 . 1 1 46 46 ARG N N 46 120.031 120.031 114.079 5.952 19294 3352 1 18 . 1 1 46 46 ARG H H 46 7.508 7.508 8.529 -1.021 19294 3353 1 18 . 1 1 47 47 PHE N N 47 114.942 114.942 118.368 -3.426 19294 3354 1 18 . 1 1 47 47 PHE H H 47 8.192 8.192 7.388 0.804 19294 3355 1 18 . 1 1 48 48 GLN N N 48 122.079 122.079 118.265 3.814 19294 3356 1 18 . 1 1 48 48 GLN H H 48 7.952 7.952 8.667 -0.715 19294 3357 1 18 . 1 1 49 49 GLN N N 49 117.512 117.512 119.251 -1.739 19294 3358 1 18 . 1 1 49 49 GLN H H 49 7.873 7.873 8.184 -0.311 19294 3359 1 18 . 1 1 50 50 ILE N N 50 119.870 119.870 120.490 -0.620 19294 3360 1 18 . 1 1 50 50 ILE H H 50 8.000 8.000 7.708 0.292 19294 3361 1 18 . 1 1 51 51 TYR N N 51 119.329 119.329 122.415 -3.086 19294 3362 1 18 . 1 1 51 51 TYR H H 51 8.349 8.349 8.026 0.323 19294 3363 1 18 . 1 1 52 52 TYR N N 52 114.638 114.638 115.499 -0.861 19294 3364 1 18 . 1 1 52 52 TYR H H 52 8.042 8.042 7.875 0.167 19294 3365 1 18 . 1 1 53 53 ALA N N 53 122.239 122.239 121.236 1.003 19294 3366 1 18 . 1 1 53 53 ALA H H 53 8.332 8.332 7.686 0.646 19294 3367 1 18 . 1 1 54 54 TYR N N 54 115.435 115.435 117.155 -1.720 19294 3368 1 18 . 1 1 54 54 TYR H H 54 7.358 7.358 8.295 -0.937 19294 3369 1 18 . 1 1 55 55 ARG N N 55 118.154 118.154 119.997 -1.843 19294 3370 1 18 . 1 1 55 55 ARG H H 55 6.625 6.625 7.672 -1.047 19294 3371 1 18 . 1 1 56 56 SER N N 56 110.807 110.807 113.229 -2.422 19294 3372 1 18 . 1 1 56 56 SER H H 56 8.149 8.149 7.792 0.357 19294 3373 1 18 . 1 1 57 57 VAL N N 57 120.648 120.648 120.003 0.645 19294 3374 1 18 . 1 1 57 57 VAL H H 57 7.790 7.790 7.729 0.061 19294 3375 1 18 . 1 1 58 58 TRP N N 58 114.004 114.004 119.052 -5.048 19294 3376 1 18 . 1 1 58 58 TRP H H 58 5.902 5.902 7.688 -1.786 19294 3377 1 18 . 1 1 59 59 HIS N N 59 125.034 125.034 121.069 3.965 19294 3378 1 18 . 1 1 59 59 HIS H H 59 8.658 8.658 7.265 1.393 19294 3379 1 18 . 1 1 61 61 ALA N N 61 123.740 123.740 126.217 -2.477 19294 3380 1 18 . 1 1 61 61 ALA H H 61 8.220 8.220 7.791 0.429 19294 3381 1 18 . 1 1 62 62 ARG N N 62 120.118 120.118 122.091 -1.973 19294 3382 1 18 . 1 1 62 62 ARG H H 62 8.221 8.221 8.707 -0.486 19294 3383 1 18 . 1 1 63 63 THR N N 63 114.028 114.028 119.418 -5.390 19294 3384 1 18 . 1 1 63 63 THR H H 63 6.860 6.860 8.581 -1.721 19294 3385 1 18 . 1 1 64 64 VAL N N 64 120.498 120.498 122.158 -1.660 19294 3386 1 18 . 1 1 64 64 VAL H H 64 8.104 8.104 8.366 -0.262 19294 3387 1 18 . 1 1 65 65 SER N N 65 113.818 113.818 114.446 -0.628 19294 3388 1 18 . 1 1 65 65 SER H H 65 8.210 8.210 8.077 0.133 19294 3389 1 18 . 1 1 66 66 GLN N N 66 119.304 119.304 121.137 -1.833 19294 3390 1 18 . 1 1 66 66 GLN H H 66 7.471 7.471 7.382 0.089 19294 3391 1 18 . 1 1 67 67 LEU N N 67 118.987 118.987 120.520 -1.533 19294 3392 1 18 . 1 1 67 67 LEU H H 67 7.724 7.724 7.035 0.689 19294 3393 1 18 . 1 1 68 68 TYR N N 68 118.918 118.918 117.447 1.471 19294 3394 1 18 . 1 1 68 68 TYR H H 68 7.560 7.560 7.984 -0.424 19294 3395 1 18 . 1 1 69 69 ASP N N 69 119.021 119.021 120.404 -1.383 19294 3396 1 18 . 1 1 69 69 ASP H H 69 8.611 8.611 7.778 0.833 19294 3397 1 18 . 1 1 70 70 HIS N N 70 119.566 119.566 115.974 3.592 19294 3398 1 18 . 1 1 70 70 HIS H H 70 8.217 8.217 7.779 0.438 19294 3399 1 18 . 1 1 71 71 TRP N N 71 122.074 122.074 122.960 -0.886 19294 3400 1 18 . 1 1 71 71 TRP H H 71 8.510 8.510 8.512 -0.002 19294 3401 1 18 . 1 1 73 73 GLY N N 73 102.171 102.171 105.763 -3.592 19294 3402 1 18 . 1 1 73 73 GLY H H 73 7.977 7.977 7.977 0.000 19294 3403 1 18 . 1 1 74 74 THR N N 74 112.306 112.306 114.665 -2.359 19294 3404 1 18 . 1 1 74 74 THR H H 74 7.190 7.190 7.309 -0.119 19294 3405 1 18 . 1 1 75 75 LEU N N 75 122.319 122.319 120.074 2.245 19294 3406 1 18 . 1 1 75 75 LEU H H 75 7.735 7.735 7.535 0.200 19294 3407 1 18 . 1 1 76 76 ARG N N 76 116.956 116.956 116.454 0.502 19294 3408 1 18 . 1 1 76 76 ARG H H 76 8.188 8.188 7.200 0.988 19294 3409 1 18 . 1 1 80 80 ILE N N 80 122.069 122.069 118.395 3.674 19294 3410 1 18 . 1 1 80 80 ILE H H 80 7.862 7.862 8.017 -0.155 19294 3411 1 18 . 1 1 81 81 GLN N N 81 122.536 122.536 124.306 -1.770 19294 3412 1 18 . 1 1 81 81 GLN H H 81 8.161 8.161 8.521 -0.360 19294 3413 1 18 . 1 1 83 83 GLN N N 83 120.732 120.732 118.647 2.085 19294 3414 1 18 . 1 1 83 83 GLN H H 83 8.342 8.342 8.503 -0.161 19294 3415 1 18 . 1 1 84 84 GLY N N 84 109.358 109.358 109.460 -0.102 19294 3416 1 18 . 1 1 84 84 GLY H H 84 8.310 8.310 8.271 0.039 19294 3417 1 18 . 1 1 85 85 TYR N N 85 120.275 120.275 122.548 -2.273 19294 3418 1 18 . 1 1 85 85 TYR H H 85 8.026 8.026 8.441 -0.415 19294 3419 1 18 . 1 1 86 86 ARG N N 86 123.513 123.513 118.715 4.798 19294 3420 1 18 . 1 1 86 86 ARG H H 86 8.217 8.217 8.529 -0.312 19294 3421 1 18 . 1 1 87 87 GLY N N 87 108.952 108.952 109.978 -1.026 19294 3422 1 18 . 1 1 87 87 GLY H H 87 7.760 7.760 7.927 -0.167 19294 3423 1 18 . 1 1 88 88 LYS N N 88 120.704 120.704 119.756 0.948 19294 3424 1 18 . 1 1 88 88 LYS H H 88 8.193 8.193 8.521 -0.328 19294 3425 1 18 . 1 1 89 89 ASN N N 89 119.295 119.295 118.914 0.381 19294 3426 1 18 . 1 1 89 89 ASN H H 89 8.469 8.469 8.452 0.017 19294 3427 1 18 . 1 1 90 90 SER N N 90 116.172 116.172 117.681 -1.509 19294 3428 1 18 . 1 1 90 90 SER H H 90 8.164 8.164 8.190 -0.026 19294 3429 1 18 . 1 1 91 91 VAL N N 91 121.404 121.404 119.574 1.830 19294 3430 1 18 . 1 1 91 91 VAL H H 91 8.076 8.076 8.104 -0.028 19294 3431 1 18 . 1 1 92 92 ALA N N 92 127.063 127.063 127.743 -0.680 19294 3432 1 18 . 1 1 92 92 ALA H H 92 8.224 8.224 8.056 0.168 19294 3433 1 18 . 1 1 93 93 ALA N N 93 123.146 123.146 124.091 -0.945 19294 3434 1 18 . 1 1 93 93 ALA H H 93 8.128 8.128 8.514 -0.386 19294 3435 1 18 . 1 1 94 94 ARG N N 94 120.040 120.040 122.135 -2.095 19294 3436 1 18 . 1 1 94 94 ARG H H 94 8.178 8.178 8.741 -0.563 19294 3437 1 18 . 1 1 95 95 SER N N 95 118.524 118.524 117.137 1.387 19294 3438 1 18 . 1 1 95 95 SER H H 95 8.325 8.325 8.130 0.195 19294 3439 1 18 . 1 1 97 97 GLU N N 97 120.828 120.828 119.893 0.935 19294 3440 1 18 . 1 1 97 97 GLU H H 97 8.481 8.481 8.671 -0.190 19294 3441 1 18 . 1 1 98 98 LYS N N 98 122.084 122.084 122.576 -0.492 19294 3442 1 18 . 1 1 98 98 LYS H H 98 8.211 8.211 8.726 -0.515 19294 3443 1 18 . 1 1 99 99 ALA N N 99 125.318 125.318 124.528 0.790 19294 3444 1 18 . 1 1 99 99 ALA H H 99 8.280 8.280 7.995 0.285 19294 3445 1 18 . 1 1 100 100 SER N N 100 114.843 114.843 117.688 -2.845 19294 3446 1 18 . 1 1 100 100 SER H H 100 8.262 8.262 8.513 -0.251 19294 3447 1 18 . 1 1 101 101 ASN N N 101 120.169 120.169 118.896 1.273 19294 3448 1 18 . 1 1 101 101 ASN H H 101 8.260 8.260 8.674 -0.414 19294 3449 1 18 . 1 1 102 102 MET N N 102 120.309 120.309 116.843 3.466 19294 3450 1 18 . 1 1 102 102 MET H H 102 8.262 8.262 8.234 0.028 19294 3451 1 18 . 1 1 103 103 GLU N N 103 121.199 121.199 119.107 2.092 19294 3452 1 18 . 1 1 103 103 GLU H H 103 8.345 8.345 8.476 -0.131 19294 3453 1 18 . 1 1 104 104 ASN N N 104 119.139 119.139 120.910 -1.771 19294 3454 1 18 . 1 1 104 104 ASN H H 104 8.385 8.385 8.296 0.089 19294 3455 1 18 . 1 1 105 105 ASN N N 105 119.640 119.640 118.963 0.677 19294 3456 1 18 . 1 1 105 105 ASN H H 105 8.400 8.400 8.809 -0.409 19294 3457 1 19 . 1 1 3 3 GLY N N 3 109.851 109.851 114.455 -4.604 19294 3458 1 19 . 1 1 3 3 GLY H H 3 8.585 8.585 8.704 -0.119 19294 3459 1 19 . 1 1 4 4 SER N N 4 115.542 115.542 115.905 -0.363 19294 3460 1 19 . 1 1 4 4 SER H H 4 8.129 8.129 8.418 -0.289 19294 3461 1 19 . 1 1 5 5 LEU N N 5 123.929 123.929 120.829 3.100 19294 3462 1 19 . 1 1 5 5 LEU H H 5 8.315 8.315 8.202 0.113 19294 3463 1 19 . 1 1 6 6 SER N N 6 115.912 115.912 115.424 0.488 19294 3464 1 19 . 1 1 6 6 SER H H 6 8.191 8.191 7.983 0.208 19294 3465 1 19 . 1 1 7 7 ASN N N 7 120.407 120.407 122.393 -1.986 19294 3466 1 19 . 1 1 7 7 ASN H H 7 8.400 8.400 8.650 -0.250 19294 3467 1 19 . 1 1 8 8 PHE N N 8 120.059 120.059 119.682 0.377 19294 3468 1 19 . 1 1 8 8 PHE H H 8 8.083 8.083 8.489 -0.406 19294 3469 1 19 . 1 1 9 9 ALA N N 9 124.325 124.325 122.018 2.307 19294 3470 1 19 . 1 1 9 9 ALA H H 9 8.072 8.072 8.342 -0.270 19294 3471 1 19 . 1 1 10 10 ASN N N 10 117.559 117.559 116.103 1.456 19294 3472 1 19 . 1 1 10 10 ASN H H 10 8.237 8.237 8.768 -0.531 19294 3473 1 19 . 1 1 11 11 VAL N N 11 119.391 119.391 118.579 0.812 19294 3474 1 19 . 1 1 11 11 VAL H H 11 7.949 7.949 7.710 0.239 19294 3475 1 19 . 1 1 12 12 GLY N N 12 112.124 112.124 111.972 0.152 19294 3476 1 19 . 1 1 12 12 GLY H H 12 8.426 8.426 8.035 0.391 19294 3477 1 19 . 1 1 13 13 VAL N N 13 118.978 118.978 115.546 3.432 19294 3478 1 19 . 1 1 13 13 VAL H H 13 7.980 7.980 8.375 -0.395 19294 3479 1 19 . 1 1 14 14 GLY N N 14 112.259 112.259 110.654 1.605 19294 3480 1 19 . 1 1 14 14 GLY H H 14 8.510 8.510 8.026 0.484 19294 3481 1 19 . 1 1 15 15 THR N N 15 113.294 113.294 113.236 0.058 19294 3482 1 19 . 1 1 15 15 THR H H 15 8.058 8.058 7.425 0.633 19294 3483 1 19 . 1 1 16 16 SER N N 16 118.015 118.015 123.247 -5.232 19294 3484 1 19 . 1 1 16 16 SER H H 16 8.409 8.409 8.629 -0.220 19294 3485 1 19 . 1 1 17 17 SER N N 17 117.642 117.642 114.874 2.768 19294 3486 1 19 . 1 1 17 17 SER H H 17 8.336 8.336 7.828 0.508 19294 3487 1 19 . 1 1 18 18 GLY N N 18 110.661 110.661 110.445 0.216 19294 3488 1 19 . 1 1 18 18 GLY H H 18 8.369 8.369 8.397 -0.028 19294 3489 1 19 . 1 1 19 19 LYS N N 19 120.510 120.510 121.681 -1.171 19294 3490 1 19 . 1 1 19 19 LYS H H 19 8.105 8.105 8.101 0.004 19294 3491 1 19 . 1 1 20 20 GLN N N 20 120.815 120.815 121.534 -0.719 19294 3492 1 19 . 1 1 20 20 GLN H H 20 8.255 8.255 8.597 -0.342 19294 3493 1 19 . 1 1 21 21 LYS N N 21 123.190 123.190 121.132 2.058 19294 3494 1 19 . 1 1 21 21 LYS H H 21 8.235 8.235 8.295 -0.060 19294 3495 1 19 . 1 1 22 22 ARG N N 22 122.038 122.038 120.312 1.726 19294 3496 1 19 . 1 1 22 22 ARG H H 22 8.005 8.005 7.997 0.008 19294 3497 1 19 . 1 1 23 23 TYR N N 23 122.249 122.249 122.484 -0.235 19294 3498 1 19 . 1 1 23 23 TYR H H 23 8.332 8.332 8.224 0.108 19294 3499 1 19 . 1 1 24 24 LYS N N 24 125.906 125.906 122.433 3.473 19294 3500 1 19 . 1 1 24 24 LYS H H 24 8.591 8.591 7.975 0.616 19294 3501 1 19 . 1 1 25 25 PHE N N 25 124.526 124.526 117.442 7.084 19294 3502 1 19 . 1 1 25 25 PHE H H 25 8.875 8.875 8.167 0.708 19294 3503 1 19 . 1 1 26 26 SER N N 26 121.585 121.585 122.914 -1.329 19294 3504 1 19 . 1 1 26 26 SER H H 26 9.536 9.536 7.848 1.688 19294 3505 1 19 . 1 1 27 27 ALA N N 27 124.035 124.035 123.570 0.465 19294 3506 1 19 . 1 1 27 27 ALA H H 27 9.042 9.042 8.446 0.596 19294 3507 1 19 . 1 1 28 28 SER N N 28 112.803 112.803 116.600 -3.797 19294 3508 1 19 . 1 1 28 28 SER H H 28 8.323 8.323 8.406 -0.083 19294 3509 1 19 . 1 1 29 29 GLU N N 29 123.527 123.527 121.261 2.266 19294 3510 1 19 . 1 1 29 29 GLU H H 29 7.860 7.860 7.650 0.210 19294 3511 1 19 . 1 1 30 30 ASP N N 30 120.194 120.194 118.232 1.962 19294 3512 1 19 . 1 1 30 30 ASP H H 30 8.262 8.262 7.609 0.653 19294 3513 1 19 . 1 1 31 31 GLU N N 31 117.806 117.806 118.318 -0.512 19294 3514 1 19 . 1 1 31 31 GLU H H 31 8.179 8.179 7.481 0.698 19294 3515 1 19 . 1 1 32 32 ALA N N 32 121.610 121.610 122.127 -0.517 19294 3516 1 19 . 1 1 32 32 ALA H H 32 7.639 7.639 7.514 0.125 19294 3517 1 19 . 1 1 33 33 ILE N N 33 117.076 117.076 118.479 -1.403 19294 3518 1 19 . 1 1 33 33 ILE H H 33 8.144 8.144 7.225 0.919 19294 3519 1 19 . 1 1 34 34 ILE N N 34 118.607 118.607 118.262 0.345 19294 3520 1 19 . 1 1 34 34 ILE H H 34 7.925 7.925 7.794 0.131 19294 3521 1 19 . 1 1 35 35 LYS N N 35 120.394 120.394 120.588 -0.194 19294 3522 1 19 . 1 1 35 35 LYS H H 35 8.578 8.578 7.827 0.751 19294 3523 1 19 . 1 1 36 36 GLY N N 36 110.322 110.322 107.608 2.714 19294 3524 1 19 . 1 1 36 36 GLY H H 36 8.866 8.866 7.825 1.041 19294 3525 1 19 . 1 1 37 37 LEU N N 37 123.178 123.178 123.426 -0.248 19294 3526 1 19 . 1 1 37 37 LEU H H 37 8.610 8.610 8.515 0.095 19294 3527 1 19 . 1 1 38 38 ALA N N 38 117.618 117.618 121.204 -3.586 19294 3528 1 19 . 1 1 38 38 ALA H H 38 7.016 7.016 7.633 -0.617 19294 3529 1 19 . 1 1 39 39 ARG N N 39 118.101 118.101 116.865 1.236 19294 3530 1 19 . 1 1 39 39 ARG H H 39 7.274 7.274 7.770 -0.496 19294 3531 1 19 . 1 1 40 40 PHE N N 40 120.820 120.820 120.536 0.284 19294 3532 1 19 . 1 1 40 40 PHE H H 40 8.317 8.317 7.593 0.724 19294 3533 1 19 . 1 1 41 41 THR N N 41 111.784 111.784 114.648 -2.864 19294 3534 1 19 . 1 1 41 41 THR H H 41 7.967 7.967 8.221 -0.254 19294 3535 1 19 . 1 1 42 42 LYS N N 42 119.745 119.745 121.715 -1.970 19294 3536 1 19 . 1 1 42 42 LYS H H 42 7.909 7.909 8.862 -0.953 19294 3537 1 19 . 1 1 43 43 GLY N N 43 109.836 109.836 108.502 1.334 19294 3538 1 19 . 1 1 43 43 GLY H H 43 8.413 8.413 7.643 0.770 19294 3539 1 19 . 1 1 44 44 GLN N N 44 119.385 119.385 118.947 0.438 19294 3540 1 19 . 1 1 44 44 GLN H H 44 8.701 8.701 8.333 0.368 19294 3541 1 19 . 1 1 45 45 GLN N N 45 117.945 117.945 115.940 2.005 19294 3542 1 19 . 1 1 45 45 GLN H H 45 8.701 8.701 8.150 0.551 19294 3543 1 19 . 1 1 46 46 ARG N N 46 120.031 120.031 121.076 -1.045 19294 3544 1 19 . 1 1 46 46 ARG H H 46 7.508 7.508 8.579 -1.071 19294 3545 1 19 . 1 1 47 47 PHE N N 47 114.942 114.942 119.307 -4.365 19294 3546 1 19 . 1 1 47 47 PHE H H 47 8.192 8.192 8.137 0.055 19294 3547 1 19 . 1 1 48 48 GLN N N 48 122.079 122.079 118.751 3.328 19294 3548 1 19 . 1 1 48 48 GLN H H 48 7.952 7.952 8.388 -0.436 19294 3549 1 19 . 1 1 49 49 GLN N N 49 117.512 117.512 119.939 -2.427 19294 3550 1 19 . 1 1 49 49 GLN H H 49 7.873 7.873 8.332 -0.459 19294 3551 1 19 . 1 1 50 50 ILE N N 50 119.870 119.870 120.548 -0.678 19294 3552 1 19 . 1 1 50 50 ILE H H 50 8.000 8.000 8.386 -0.386 19294 3553 1 19 . 1 1 51 51 TYR N N 51 119.329 119.329 122.207 -2.878 19294 3554 1 19 . 1 1 51 51 TYR H H 51 8.349 8.349 7.912 0.437 19294 3555 1 19 . 1 1 52 52 TYR N N 52 114.638 114.638 114.148 0.490 19294 3556 1 19 . 1 1 52 52 TYR H H 52 8.042 8.042 7.604 0.438 19294 3557 1 19 . 1 1 53 53 ALA N N 53 122.239 122.239 123.246 -1.007 19294 3558 1 19 . 1 1 53 53 ALA H H 53 8.332 8.332 7.556 0.776 19294 3559 1 19 . 1 1 54 54 TYR N N 54 115.435 115.435 116.032 -0.597 19294 3560 1 19 . 1 1 54 54 TYR H H 54 7.358 7.358 8.018 -0.660 19294 3561 1 19 . 1 1 55 55 ARG N N 55 118.154 118.154 119.388 -1.234 19294 3562 1 19 . 1 1 55 55 ARG H H 55 6.625 6.625 6.854 -0.229 19294 3563 1 19 . 1 1 56 56 SER N N 56 110.807 110.807 118.905 -8.098 19294 3564 1 19 . 1 1 56 56 SER H H 56 8.149 8.149 8.448 -0.299 19294 3565 1 19 . 1 1 57 57 VAL N N 57 120.648 120.648 114.610 6.038 19294 3566 1 19 . 1 1 57 57 VAL H H 57 7.790 7.790 7.432 0.358 19294 3567 1 19 . 1 1 58 58 TRP N N 58 114.004 114.004 119.996 -5.992 19294 3568 1 19 . 1 1 58 58 TRP H H 58 5.902 5.902 7.516 -1.614 19294 3569 1 19 . 1 1 59 59 HIS N N 59 125.034 125.034 124.320 0.714 19294 3570 1 19 . 1 1 59 59 HIS H H 59 8.658 8.658 8.030 0.628 19294 3571 1 19 . 1 1 61 61 ALA N N 61 123.740 123.740 122.856 0.884 19294 3572 1 19 . 1 1 61 61 ALA H H 61 8.220 8.220 8.341 -0.121 19294 3573 1 19 . 1 1 62 62 ARG N N 62 120.118 120.118 117.974 2.144 19294 3574 1 19 . 1 1 62 62 ARG H H 62 8.221 8.221 8.599 -0.378 19294 3575 1 19 . 1 1 63 63 THR N N 63 114.028 114.028 109.116 4.912 19294 3576 1 19 . 1 1 63 63 THR H H 63 6.860 6.860 7.852 -0.992 19294 3577 1 19 . 1 1 64 64 VAL N N 64 120.498 120.498 121.692 -1.194 19294 3578 1 19 . 1 1 64 64 VAL H H 64 8.104 8.104 8.164 -0.060 19294 3579 1 19 . 1 1 65 65 SER N N 65 113.818 113.818 113.568 0.250 19294 3580 1 19 . 1 1 65 65 SER H H 65 8.210 8.210 7.459 0.751 19294 3581 1 19 . 1 1 66 66 GLN N N 66 119.304 119.304 121.977 -2.673 19294 3582 1 19 . 1 1 66 66 GLN H H 66 7.471 7.471 7.708 -0.237 19294 3583 1 19 . 1 1 67 67 LEU N N 67 118.987 118.987 121.391 -2.404 19294 3584 1 19 . 1 1 67 67 LEU H H 67 7.724 7.724 7.556 0.168 19294 3585 1 19 . 1 1 68 68 TYR N N 68 118.918 118.918 117.633 1.285 19294 3586 1 19 . 1 1 68 68 TYR H H 68 7.560 7.560 8.046 -0.486 19294 3587 1 19 . 1 1 69 69 ASP N N 69 119.021 119.021 120.275 -1.254 19294 3588 1 19 . 1 1 69 69 ASP H H 69 8.611 8.611 7.791 0.820 19294 3589 1 19 . 1 1 70 70 HIS N N 70 119.566 119.566 116.123 3.443 19294 3590 1 19 . 1 1 70 70 HIS H H 70 8.217 8.217 8.072 0.145 19294 3591 1 19 . 1 1 71 71 TRP N N 71 122.074 122.074 122.542 -0.468 19294 3592 1 19 . 1 1 71 71 TRP H H 71 8.510 8.510 8.623 -0.113 19294 3593 1 19 . 1 1 73 73 GLY N N 73 102.171 102.171 106.105 -3.934 19294 3594 1 19 . 1 1 73 73 GLY H H 73 7.977 7.977 8.026 -0.049 19294 3595 1 19 . 1 1 74 74 THR N N 74 112.306 112.306 115.532 -3.226 19294 3596 1 19 . 1 1 74 74 THR H H 74 7.190 7.190 7.471 -0.281 19294 3597 1 19 . 1 1 75 75 LEU N N 75 122.319 122.319 120.718 1.601 19294 3598 1 19 . 1 1 75 75 LEU H H 75 7.735 7.735 7.596 0.139 19294 3599 1 19 . 1 1 76 76 ARG N N 76 116.956 116.956 113.087 3.869 19294 3600 1 19 . 1 1 76 76 ARG H H 76 8.188 8.188 7.368 0.820 19294 3601 1 19 . 1 1 80 80 ILE N N 80 122.069 122.069 122.121 -0.052 19294 3602 1 19 . 1 1 80 80 ILE H H 80 7.862 7.862 8.329 -0.467 19294 3603 1 19 . 1 1 81 81 GLN N N 81 122.536 122.536 123.325 -0.789 19294 3604 1 19 . 1 1 81 81 GLN H H 81 8.161 8.161 8.687 -0.526 19294 3605 1 19 . 1 1 83 83 GLN N N 83 120.732 120.732 118.614 2.118 19294 3606 1 19 . 1 1 83 83 GLN H H 83 8.342 8.342 8.944 -0.602 19294 3607 1 19 . 1 1 84 84 GLY N N 84 109.358 109.358 109.673 -0.315 19294 3608 1 19 . 1 1 84 84 GLY H H 84 8.310 8.310 8.608 -0.298 19294 3609 1 19 . 1 1 85 85 TYR N N 85 120.275 120.275 119.232 1.043 19294 3610 1 19 . 1 1 85 85 TYR H H 85 8.026 8.026 8.254 -0.228 19294 3611 1 19 . 1 1 86 86 ARG N N 86 123.513 123.513 124.944 -1.431 19294 3612 1 19 . 1 1 86 86 ARG H H 86 8.217 8.217 8.714 -0.497 19294 3613 1 19 . 1 1 87 87 GLY N N 87 108.952 108.952 110.858 -1.906 19294 3614 1 19 . 1 1 87 87 GLY H H 87 7.760 7.760 8.386 -0.626 19294 3615 1 19 . 1 1 88 88 LYS N N 88 120.704 120.704 118.847 1.857 19294 3616 1 19 . 1 1 88 88 LYS H H 88 8.193 8.193 7.984 0.209 19294 3617 1 19 . 1 1 89 89 ASN N N 89 119.295 119.295 119.343 -0.048 19294 3618 1 19 . 1 1 89 89 ASN H H 89 8.469 8.469 8.741 -0.272 19294 3619 1 19 . 1 1 90 90 SER N N 90 116.172 116.172 114.357 1.815 19294 3620 1 19 . 1 1 90 90 SER H H 90 8.164 8.164 8.140 0.024 19294 3621 1 19 . 1 1 91 91 VAL N N 91 121.404 121.404 117.485 3.919 19294 3622 1 19 . 1 1 91 91 VAL H H 91 8.076 8.076 7.934 0.142 19294 3623 1 19 . 1 1 92 92 ALA N N 92 127.063 127.063 123.775 3.288 19294 3624 1 19 . 1 1 92 92 ALA H H 92 8.224 8.224 8.231 -0.007 19294 3625 1 19 . 1 1 93 93 ALA N N 93 123.146 123.146 122.293 0.853 19294 3626 1 19 . 1 1 93 93 ALA H H 93 8.128 8.128 8.270 -0.142 19294 3627 1 19 . 1 1 94 94 ARG N N 94 120.040 120.040 123.133 -3.093 19294 3628 1 19 . 1 1 94 94 ARG H H 94 8.178 8.178 8.476 -0.298 19294 3629 1 19 . 1 1 95 95 SER N N 95 118.524 118.524 115.350 3.174 19294 3630 1 19 . 1 1 95 95 SER H H 95 8.325 8.325 8.214 0.111 19294 3631 1 19 . 1 1 97 97 GLU N N 97 120.828 120.828 119.547 1.281 19294 3632 1 19 . 1 1 97 97 GLU H H 97 8.481 8.481 8.585 -0.104 19294 3633 1 19 . 1 1 98 98 LYS N N 98 122.084 122.084 122.231 -0.147 19294 3634 1 19 . 1 1 98 98 LYS H H 98 8.211 8.211 8.538 -0.327 19294 3635 1 19 . 1 1 99 99 ALA N N 99 125.318 125.318 123.476 1.842 19294 3636 1 19 . 1 1 99 99 ALA H H 99 8.280 8.280 7.947 0.333 19294 3637 1 19 . 1 1 100 100 SER N N 100 114.843 114.843 116.075 -1.232 19294 3638 1 19 . 1 1 100 100 SER H H 100 8.262 8.262 8.410 -0.148 19294 3639 1 19 . 1 1 101 101 ASN N N 101 120.169 120.169 125.621 -5.452 19294 3640 1 19 . 1 1 101 101 ASN H H 101 8.260 8.260 8.737 -0.477 19294 3641 1 19 . 1 1 102 102 MET N N 102 120.309 120.309 121.399 -1.090 19294 3642 1 19 . 1 1 102 102 MET H H 102 8.262 8.262 8.299 -0.037 19294 3643 1 19 . 1 1 103 103 GLU N N 103 121.199 121.199 120.879 0.320 19294 3644 1 19 . 1 1 103 103 GLU H H 103 8.345 8.345 8.743 -0.398 19294 3645 1 19 . 1 1 104 104 ASN N N 104 119.139 119.139 118.920 0.219 19294 3646 1 19 . 1 1 104 104 ASN H H 104 8.385 8.385 8.210 0.175 19294 3647 1 19 . 1 1 105 105 ASN N N 105 119.640 119.640 120.121 -0.481 19294 3648 1 19 . 1 1 105 105 ASN H H 105 8.400 8.400 8.138 0.262 19294 3649 1 20 . 1 1 3 3 GLY N N 3 109.851 109.851 106.222 3.629 19294 3650 1 20 . 1 1 3 3 GLY H H 3 8.585 8.585 7.821 0.764 19294 3651 1 20 . 1 1 4 4 SER N N 4 115.542 115.542 114.230 1.312 19294 3652 1 20 . 1 1 4 4 SER H H 4 8.129 8.129 8.073 0.056 19294 3653 1 20 . 1 1 5 5 LEU N N 5 123.929 123.929 121.177 2.752 19294 3654 1 20 . 1 1 5 5 LEU H H 5 8.315 8.315 8.720 -0.405 19294 3655 1 20 . 1 1 6 6 SER N N 6 115.912 115.912 114.762 1.150 19294 3656 1 20 . 1 1 6 6 SER H H 6 8.191 8.191 8.698 -0.507 19294 3657 1 20 . 1 1 7 7 ASN N N 7 120.407 120.407 117.997 2.410 19294 3658 1 20 . 1 1 7 7 ASN H H 7 8.400 8.400 8.592 -0.192 19294 3659 1 20 . 1 1 8 8 PHE N N 8 120.059 120.059 120.756 -0.697 19294 3660 1 20 . 1 1 8 8 PHE H H 8 8.083 8.083 7.922 0.161 19294 3661 1 20 . 1 1 9 9 ALA N N 9 124.325 124.325 121.606 2.719 19294 3662 1 20 . 1 1 9 9 ALA H H 9 8.072 8.072 7.753 0.319 19294 3663 1 20 . 1 1 10 10 ASN N N 10 117.559 117.559 117.580 -0.021 19294 3664 1 20 . 1 1 10 10 ASN H H 10 8.237 8.237 8.532 -0.295 19294 3665 1 20 . 1 1 11 11 VAL N N 11 119.391 119.391 119.217 0.174 19294 3666 1 20 . 1 1 11 11 VAL H H 11 7.949 7.949 7.918 0.031 19294 3667 1 20 . 1 1 12 12 GLY N N 12 112.124 112.124 110.558 1.566 19294 3668 1 20 . 1 1 12 12 GLY H H 12 8.426 8.426 7.959 0.467 19294 3669 1 20 . 1 1 13 13 VAL N N 13 118.978 118.978 121.464 -2.486 19294 3670 1 20 . 1 1 13 13 VAL H H 13 7.980 7.980 7.889 0.091 19294 3671 1 20 . 1 1 14 14 GLY N N 14 112.259 112.259 109.188 3.071 19294 3672 1 20 . 1 1 14 14 GLY H H 14 8.510 8.510 8.366 0.144 19294 3673 1 20 . 1 1 15 15 THR N N 15 113.294 113.294 115.261 -1.967 19294 3674 1 20 . 1 1 15 15 THR H H 15 8.058 8.058 8.230 -0.172 19294 3675 1 20 . 1 1 16 16 SER N N 16 118.015 118.015 114.617 3.398 19294 3676 1 20 . 1 1 16 16 SER H H 16 8.409 8.409 7.815 0.594 19294 3677 1 20 . 1 1 17 17 SER N N 17 117.642 117.642 119.838 -2.196 19294 3678 1 20 . 1 1 17 17 SER H H 17 8.336 8.336 8.003 0.333 19294 3679 1 20 . 1 1 18 18 GLY N N 18 110.661 110.661 110.463 0.198 19294 3680 1 20 . 1 1 18 18 GLY H H 18 8.369 8.369 8.226 0.143 19294 3681 1 20 . 1 1 19 19 LYS N N 19 120.510 120.510 121.628 -1.118 19294 3682 1 20 . 1 1 19 19 LYS H H 19 8.105 8.105 8.223 -0.118 19294 3683 1 20 . 1 1 20 20 GLN N N 20 120.815 120.815 119.565 1.250 19294 3684 1 20 . 1 1 20 20 GLN H H 20 8.255 8.255 8.455 -0.200 19294 3685 1 20 . 1 1 21 21 LYS N N 21 123.190 123.190 120.907 2.283 19294 3686 1 20 . 1 1 21 21 LYS H H 21 8.235 8.235 8.548 -0.313 19294 3687 1 20 . 1 1 22 22 ARG N N 22 122.038 122.038 116.618 5.420 19294 3688 1 20 . 1 1 22 22 ARG H H 22 8.005 8.005 8.433 -0.428 19294 3689 1 20 . 1 1 23 23 TYR N N 23 122.249 122.249 115.516 6.733 19294 3690 1 20 . 1 1 23 23 TYR H H 23 8.332 8.332 8.235 0.097 19294 3691 1 20 . 1 1 24 24 LYS N N 24 125.906 125.906 124.889 1.017 19294 3692 1 20 . 1 1 24 24 LYS H H 24 8.591 8.591 8.686 -0.095 19294 3693 1 20 . 1 1 25 25 PHE N N 25 124.526 124.526 116.488 8.038 19294 3694 1 20 . 1 1 25 25 PHE H H 25 8.875 8.875 8.205 0.670 19294 3695 1 20 . 1 1 26 26 SER N N 26 121.585 121.585 119.582 2.003 19294 3696 1 20 . 1 1 26 26 SER H H 26 9.536 9.536 8.544 0.992 19294 3697 1 20 . 1 1 27 27 ALA N N 27 124.035 124.035 126.045 -2.010 19294 3698 1 20 . 1 1 27 27 ALA H H 27 9.042 9.042 8.959 0.083 19294 3699 1 20 . 1 1 28 28 SER N N 28 112.803 112.803 110.083 2.720 19294 3700 1 20 . 1 1 28 28 SER H H 28 8.323 8.323 8.483 -0.160 19294 3701 1 20 . 1 1 29 29 GLU N N 29 123.527 123.527 119.361 4.166 19294 3702 1 20 . 1 1 29 29 GLU H H 29 7.860 7.860 7.504 0.356 19294 3703 1 20 . 1 1 30 30 ASP N N 30 120.194 120.194 120.043 0.151 19294 3704 1 20 . 1 1 30 30 ASP H H 30 8.262 8.262 7.684 0.578 19294 3705 1 20 . 1 1 31 31 GLU N N 31 117.806 117.806 118.466 -0.660 19294 3706 1 20 . 1 1 31 31 GLU H H 31 8.179 8.179 8.510 -0.331 19294 3707 1 20 . 1 1 32 32 ALA N N 32 121.610 121.610 122.297 -0.687 19294 3708 1 20 . 1 1 32 32 ALA H H 32 7.639 7.639 7.241 0.398 19294 3709 1 20 . 1 1 33 33 ILE N N 33 117.076 117.076 118.275 -1.199 19294 3710 1 20 . 1 1 33 33 ILE H H 33 8.144 8.144 7.358 0.786 19294 3711 1 20 . 1 1 34 34 ILE N N 34 118.607 118.607 117.893 0.714 19294 3712 1 20 . 1 1 34 34 ILE H H 34 7.925 7.925 8.167 -0.242 19294 3713 1 20 . 1 1 35 35 LYS N N 35 120.394 120.394 120.472 -0.078 19294 3714 1 20 . 1 1 35 35 LYS H H 35 8.578 8.578 7.780 0.798 19294 3715 1 20 . 1 1 36 36 GLY N N 36 110.322 110.322 107.801 2.521 19294 3716 1 20 . 1 1 36 36 GLY H H 36 8.866 8.866 8.248 0.618 19294 3717 1 20 . 1 1 37 37 LEU N N 37 123.178 123.178 122.477 0.701 19294 3718 1 20 . 1 1 37 37 LEU H H 37 8.610 8.610 8.466 0.144 19294 3719 1 20 . 1 1 38 38 ALA N N 38 117.618 117.618 120.898 -3.280 19294 3720 1 20 . 1 1 38 38 ALA H H 38 7.016 7.016 7.635 -0.619 19294 3721 1 20 . 1 1 39 39 ARG N N 39 118.101 118.101 115.378 2.723 19294 3722 1 20 . 1 1 39 39 ARG H H 39 7.274 7.274 7.387 -0.113 19294 3723 1 20 . 1 1 40 40 PHE N N 40 120.820 120.820 119.875 0.945 19294 3724 1 20 . 1 1 40 40 PHE H H 40 8.317 8.317 8.711 -0.394 19294 3725 1 20 . 1 1 41 41 THR N N 41 111.784 111.784 114.693 -2.909 19294 3726 1 20 . 1 1 41 41 THR H H 41 7.967 7.967 8.642 -0.675 19294 3727 1 20 . 1 1 42 42 LYS N N 42 119.745 119.745 124.773 -5.028 19294 3728 1 20 . 1 1 42 42 LYS H H 42 7.909 7.909 8.343 -0.434 19294 3729 1 20 . 1 1 43 43 GLY N N 43 109.836 109.836 108.584 1.252 19294 3730 1 20 . 1 1 43 43 GLY H H 43 8.413 8.413 8.121 0.292 19294 3731 1 20 . 1 1 44 44 GLN N N 44 119.385 119.385 120.887 -1.502 19294 3732 1 20 . 1 1 44 44 GLN H H 44 8.701 8.701 8.476 0.225 19294 3733 1 20 . 1 1 45 45 GLN N N 45 117.945 117.945 122.159 -4.214 19294 3734 1 20 . 1 1 45 45 GLN H H 45 8.701 8.701 8.447 0.254 19294 3735 1 20 . 1 1 46 46 ARG N N 46 120.031 120.031 121.584 -1.553 19294 3736 1 20 . 1 1 46 46 ARG H H 46 7.508 7.508 8.400 -0.892 19294 3737 1 20 . 1 1 47 47 PHE N N 47 114.942 114.942 119.260 -4.318 19294 3738 1 20 . 1 1 47 47 PHE H H 47 8.192 8.192 7.525 0.667 19294 3739 1 20 . 1 1 48 48 GLN N N 48 122.079 122.079 118.515 3.564 19294 3740 1 20 . 1 1 48 48 GLN H H 48 7.952 7.952 8.450 -0.498 19294 3741 1 20 . 1 1 49 49 GLN N N 49 117.512 117.512 119.666 -2.154 19294 3742 1 20 . 1 1 49 49 GLN H H 49 7.873 7.873 7.625 0.248 19294 3743 1 20 . 1 1 50 50 ILE N N 50 119.870 119.870 120.656 -0.786 19294 3744 1 20 . 1 1 50 50 ILE H H 50 8.000 8.000 8.105 -0.105 19294 3745 1 20 . 1 1 51 51 TYR N N 51 119.329 119.329 121.313 -1.984 19294 3746 1 20 . 1 1 51 51 TYR H H 51 8.349 8.349 8.115 0.234 19294 3747 1 20 . 1 1 52 52 TYR N N 52 114.638 114.638 116.133 -1.495 19294 3748 1 20 . 1 1 52 52 TYR H H 52 8.042 8.042 7.721 0.321 19294 3749 1 20 . 1 1 53 53 ALA N N 53 122.239 122.239 120.224 2.015 19294 3750 1 20 . 1 1 53 53 ALA H H 53 8.332 8.332 7.630 0.702 19294 3751 1 20 . 1 1 54 54 TYR N N 54 115.435 115.435 118.124 -2.689 19294 3752 1 20 . 1 1 54 54 TYR H H 54 7.358 7.358 8.265 -0.907 19294 3753 1 20 . 1 1 55 55 ARG N N 55 118.154 118.154 120.140 -1.986 19294 3754 1 20 . 1 1 55 55 ARG H H 55 6.625 6.625 6.990 -0.365 19294 3755 1 20 . 1 1 56 56 SER N N 56 110.807 110.807 114.142 -3.335 19294 3756 1 20 . 1 1 56 56 SER H H 56 8.149 8.149 7.936 0.213 19294 3757 1 20 . 1 1 57 57 VAL N N 57 120.648 120.648 118.817 1.831 19294 3758 1 20 . 1 1 57 57 VAL H H 57 7.790 7.790 7.829 -0.039 19294 3759 1 20 . 1 1 58 58 TRP N N 58 114.004 114.004 122.688 -8.684 19294 3760 1 20 . 1 1 58 58 TRP H H 58 5.902 5.902 8.775 -2.873 19294 3761 1 20 . 1 1 59 59 HIS N N 59 125.034 125.034 115.546 9.488 19294 3762 1 20 . 1 1 59 59 HIS H H 59 8.658 8.658 8.359 0.299 19294 3763 1 20 . 1 1 61 61 ALA N N 61 123.740 123.740 121.371 2.369 19294 3764 1 20 . 1 1 61 61 ALA H H 61 8.220 8.220 8.098 0.122 19294 3765 1 20 . 1 1 62 62 ARG N N 62 120.118 120.118 117.752 2.366 19294 3766 1 20 . 1 1 62 62 ARG H H 62 8.221 8.221 8.041 0.180 19294 3767 1 20 . 1 1 63 63 THR N N 63 114.028 114.028 116.038 -2.010 19294 3768 1 20 . 1 1 63 63 THR H H 63 6.860 6.860 7.853 -0.993 19294 3769 1 20 . 1 1 64 64 VAL N N 64 120.498 120.498 123.659 -3.161 19294 3770 1 20 . 1 1 64 64 VAL H H 64 8.104 8.104 8.468 -0.364 19294 3771 1 20 . 1 1 65 65 SER N N 65 113.818 113.818 113.928 -0.110 19294 3772 1 20 . 1 1 65 65 SER H H 65 8.210 8.210 8.244 -0.034 19294 3773 1 20 . 1 1 66 66 GLN N N 66 119.304 119.304 121.355 -2.051 19294 3774 1 20 . 1 1 66 66 GLN H H 66 7.471 7.471 7.720 -0.249 19294 3775 1 20 . 1 1 67 67 LEU N N 67 118.987 118.987 121.114 -2.127 19294 3776 1 20 . 1 1 67 67 LEU H H 67 7.724 7.724 7.401 0.323 19294 3777 1 20 . 1 1 68 68 TYR N N 68 118.918 118.918 117.516 1.402 19294 3778 1 20 . 1 1 68 68 TYR H H 68 7.560 7.560 8.045 -0.485 19294 3779 1 20 . 1 1 69 69 ASP N N 69 119.021 119.021 120.439 -1.418 19294 3780 1 20 . 1 1 69 69 ASP H H 69 8.611 8.611 7.540 1.071 19294 3781 1 20 . 1 1 70 70 HIS N N 70 119.566 119.566 117.983 1.583 19294 3782 1 20 . 1 1 70 70 HIS H H 70 8.217 8.217 7.363 0.854 19294 3783 1 20 . 1 1 71 71 TRP N N 71 122.074 122.074 123.419 -1.345 19294 3784 1 20 . 1 1 71 71 TRP H H 71 8.510 8.510 8.707 -0.197 19294 3785 1 20 . 1 1 73 73 GLY N N 73 102.171 102.171 104.498 -2.327 19294 3786 1 20 . 1 1 73 73 GLY H H 73 7.977 7.977 7.741 0.236 19294 3787 1 20 . 1 1 74 74 THR N N 74 112.306 112.306 113.386 -1.080 19294 3788 1 20 . 1 1 74 74 THR H H 74 7.190 7.190 7.612 -0.422 19294 3789 1 20 . 1 1 75 75 LEU N N 75 122.319 122.319 121.058 1.261 19294 3790 1 20 . 1 1 75 75 LEU H H 75 7.735 7.735 7.512 0.223 19294 3791 1 20 . 1 1 76 76 ARG N N 76 116.956 116.956 115.275 1.681 19294 3792 1 20 . 1 1 76 76 ARG H H 76 8.188 8.188 7.798 0.390 19294 3793 1 20 . 1 1 80 80 ILE N N 80 122.069 122.069 128.470 -6.401 19294 3794 1 20 . 1 1 80 80 ILE H H 80 7.862 7.862 8.394 -0.532 19294 3795 1 20 . 1 1 81 81 GLN N N 81 122.536 122.536 123.807 -1.271 19294 3796 1 20 . 1 1 81 81 GLN H H 81 8.161 8.161 8.538 -0.377 19294 3797 1 20 . 1 1 83 83 GLN N N 83 120.732 120.732 118.559 2.173 19294 3798 1 20 . 1 1 83 83 GLN H H 83 8.342 8.342 8.689 -0.347 19294 3799 1 20 . 1 1 84 84 GLY N N 84 109.358 109.358 108.116 1.242 19294 3800 1 20 . 1 1 84 84 GLY H H 84 8.310 8.310 8.377 -0.067 19294 3801 1 20 . 1 1 85 85 TYR N N 85 120.275 120.275 121.882 -1.607 19294 3802 1 20 . 1 1 85 85 TYR H H 85 8.026 8.026 8.238 -0.212 19294 3803 1 20 . 1 1 86 86 ARG N N 86 123.513 123.513 126.113 -2.600 19294 3804 1 20 . 1 1 86 86 ARG H H 86 8.217 8.217 8.819 -0.602 19294 3805 1 20 . 1 1 87 87 GLY N N 87 108.952 108.952 107.992 0.960 19294 3806 1 20 . 1 1 87 87 GLY H H 87 7.760 7.760 7.511 0.249 19294 3807 1 20 . 1 1 88 88 LYS N N 88 120.704 120.704 123.183 -2.479 19294 3808 1 20 . 1 1 88 88 LYS H H 88 8.193 8.193 7.889 0.303 19294 3809 1 20 . 1 1 89 89 ASN N N 89 119.295 119.295 122.675 -3.380 19294 3810 1 20 . 1 1 89 89 ASN H H 89 8.469 8.469 8.784 -0.315 19294 3811 1 20 . 1 1 90 90 SER N N 90 116.172 116.172 114.293 1.879 19294 3812 1 20 . 1 1 90 90 SER H H 90 8.164 8.164 8.315 -0.151 19294 3813 1 20 . 1 1 91 91 VAL N N 91 121.404 121.404 122.886 -1.482 19294 3814 1 20 . 1 1 91 91 VAL H H 91 8.076 8.076 8.122 -0.046 19294 3815 1 20 . 1 1 92 92 ALA N N 92 127.063 127.063 130.508 -3.445 19294 3816 1 20 . 1 1 92 92 ALA H H 92 8.224 8.224 8.691 -0.467 19294 3817 1 20 . 1 1 93 93 ALA N N 93 123.146 123.146 120.464 2.682 19294 3818 1 20 . 1 1 93 93 ALA H H 93 8.128 8.128 7.668 0.460 19294 3819 1 20 . 1 1 94 94 ARG N N 94 120.040 120.040 119.061 0.979 19294 3820 1 20 . 1 1 94 94 ARG H H 94 8.178 8.178 8.583 -0.405 19294 3821 1 20 . 1 1 95 95 SER N N 95 118.524 118.524 113.904 4.620 19294 3822 1 20 . 1 1 95 95 SER H H 95 8.325 8.325 8.111 0.214 19294 3823 1 20 . 1 1 97 97 GLU N N 97 120.828 120.828 120.991 -0.163 19294 3824 1 20 . 1 1 97 97 GLU H H 97 8.481 8.481 8.474 0.007 19294 3825 1 20 . 1 1 98 98 LYS N N 98 122.084 122.084 122.032 0.052 19294 3826 1 20 . 1 1 98 98 LYS H H 98 8.211 8.211 8.653 -0.442 19294 3827 1 20 . 1 1 99 99 ALA N N 99 125.318 125.318 126.290 -0.972 19294 3828 1 20 . 1 1 99 99 ALA H H 99 8.280 8.280 8.197 0.083 19294 3829 1 20 . 1 1 100 100 SER N N 100 114.843 114.843 114.917 -0.074 19294 3830 1 20 . 1 1 100 100 SER H H 100 8.262 8.262 8.134 0.128 19294 3831 1 20 . 1 1 101 101 ASN N N 101 120.169 120.169 119.850 0.319 19294 3832 1 20 . 1 1 101 101 ASN H H 101 8.260 8.260 7.928 0.332 19294 3833 1 20 . 1 1 102 102 MET N N 102 120.309 120.309 119.464 0.845 19294 3834 1 20 . 1 1 102 102 MET H H 102 8.262 8.262 8.178 0.084 19294 3835 1 20 . 1 1 103 103 GLU N N 103 121.199 121.199 119.601 1.598 19294 3836 1 20 . 1 1 103 103 GLU H H 103 8.345 8.345 8.604 -0.259 19294 3837 1 20 . 1 1 104 104 ASN N N 104 119.139 119.139 119.627 -0.488 19294 3838 1 20 . 1 1 104 104 ASN H H 104 8.385 8.385 8.306 0.079 19294 3839 1 20 . 1 1 105 105 ASN N N 105 119.640 119.640 120.415 -0.775 19294 3840 1 20 . 1 1 105 105 ASN H H 105 8.400 8.400 8.716 -0.316 19294 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 96 2.783 0.366 2.774 19294 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19294 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19294 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19294 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19294 6 1 1 "Average Difference" HN 96 0.521 0.002 0.524 19294 7 1 2 "Average Difference" N 96 2.694 -0.038 2.708 19294 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19294 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19294 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19294 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19294 12 1 2 "Average Difference" HN 96 0.553 -0.007 0.556 19294 13 1 3 "Average Difference" N 96 2.084 0.114 2.092 19294 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19294 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19294 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19294 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19294 18 1 3 "Average Difference" HN 96 0.458 -0.046 0.458 19294 19 1 4 "Average Difference" N 96 2.374 -0.070 2.386 19294 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19294 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19294 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19294 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19294 24 1 4 "Average Difference" HN 96 0.478 0.018 0.481 19294 25 1 5 "Average Difference" N 96 2.373 0.142 2.382 19294 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19294 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19294 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19294 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19294 30 1 5 "Average Difference" HN 96 0.552 0.002 0.555 19294 31 1 6 "Average Difference" N 96 2.393 0.177 2.399 19294 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19294 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19294 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19294 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19294 36 1 6 "Average Difference" HN 96 0.457 0.009 0.459 19294 37 1 7 "Average Difference" N 96 2.667 0.319 2.662 19294 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19294 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19294 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19294 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19294 42 1 7 "Average Difference" HN 96 0.538 0.044 0.539 19294 43 1 8 "Average Difference" N 96 2.574 0.208 2.580 19294 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19294 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19294 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19294 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19294 48 1 8 "Average Difference" HN 96 0.524 0.011 0.527 19294 49 1 9 "Average Difference" N 96 2.590 0.168 2.598 19294 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19294 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19294 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19294 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19294 54 1 9 "Average Difference" HN 96 0.554 0.031 0.556 19294 55 1 10 "Average Difference" N 96 2.634 -0.042 2.648 19294 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19294 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19294 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19294 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19294 60 1 10 "Average Difference" HN 96 0.471 0.015 0.473 19294 61 1 11 "Average Difference" N 96 2.539 0.460 2.510 19294 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19294 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19294 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19294 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19294 66 1 11 "Average Difference" HN 96 0.522 0.024 0.525 19294 67 1 12 "Average Difference" N 96 2.553 0.273 2.551 19294 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19294 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19294 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19294 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19294 72 1 12 "Average Difference" HN 96 0.489 0.019 0.491 19294 73 1 13 "Average Difference" N 96 2.630 0.344 2.621 19294 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19294 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19294 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19294 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19294 78 1 13 "Average Difference" HN 96 0.496 -0.031 0.497 19294 79 1 14 "Average Difference" N 96 2.638 -0.021 2.652 19294 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19294 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19294 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19294 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19294 84 1 14 "Average Difference" HN 96 0.562 -0.017 0.565 19294 85 1 15 "Average Difference" N 96 2.514 0.160 2.522 19294 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19294 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19294 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19294 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19294 90 1 15 "Average Difference" HN 96 0.525 0.015 0.527 19294 91 1 16 "Average Difference" N 96 2.712 0.231 2.717 19294 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19294 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19294 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19294 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19294 96 1 16 "Average Difference" HN 96 0.574 -0.037 0.575 19294 97 1 17 "Average Difference" N 96 2.618 0.105 2.629 19294 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19294 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19294 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19294 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19294 102 1 17 "Average Difference" HN 96 0.530 0.032 0.532 19294 103 1 18 "Average Difference" N 96 2.334 0.070 2.345 19294 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19294 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19294 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19294 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19294 108 1 18 "Average Difference" HN 96 0.556 -0.016 0.559 19294 109 1 19 "Average Difference" N 96 2.552 -0.048 2.565 19294 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19294 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19294 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19294 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19294 114 1 19 "Average Difference" HN 96 0.515 -0.016 0.517 19294 115 1 20 "Average Difference" N 96 2.821 -0.105 2.833 19294 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19294 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19294 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19294 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19294 120 1 20 "Average Difference" HN 96 0.516 0.013 0.518 19294 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 19294 _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 3 3 GLY N N 3 109.851 109.851 109.250 0.601 19294 2 1 . 1 1 3 3 GLY H H 3 8.585 8.585 8.354 0.231 19294 3 1 . 1 1 4 4 SER N N 4 115.542 115.542 116.069 -0.527 19294 4 1 . 1 1 4 4 SER H H 4 8.129 8.129 8.269 -0.140 19294 5 1 . 1 1 5 5 LEU N N 5 123.929 123.929 122.754 1.175 19294 6 1 . 1 1 5 5 LEU H H 5 8.315 8.315 8.302 0.013 19294 7 1 . 1 1 6 6 SER N N 6 115.912 115.912 117.110 -1.198 19294 8 1 . 1 1 6 6 SER H H 6 8.191 8.191 8.353 -0.162 19294 9 1 . 1 1 7 7 ASN N N 7 120.407 120.407 119.911 0.496 19294 10 1 . 1 1 7 7 ASN H H 7 8.400 8.400 8.465 -0.065 19294 11 1 . 1 1 8 8 PHE N N 8 120.059 120.059 120.291 -0.232 19294 12 1 . 1 1 8 8 PHE H H 8 8.083 8.083 8.124 -0.041 19294 13 1 . 1 1 9 9 ALA N N 9 124.325 124.325 124.898 -0.573 19294 14 1 . 1 1 9 9 ALA H H 9 8.072 8.072 8.045 0.027 19294 15 1 . 1 1 10 10 ASN N N 10 117.559 117.559 118.990 -1.431 19294 16 1 . 1 1 10 10 ASN H H 10 8.237 8.237 8.457 -0.220 19294 17 1 . 1 1 11 11 VAL N N 11 119.391 119.391 119.819 -0.428 19294 18 1 . 1 1 11 11 VAL H H 11 7.949 7.949 8.095 -0.146 19294 19 1 . 1 1 12 12 GLY N N 12 112.124 112.124 112.346 -0.222 19294 20 1 . 1 1 12 12 GLY H H 12 8.426 8.426 8.249 0.177 19294 21 1 . 1 1 13 13 VAL N N 13 118.978 118.978 119.599 -0.621 19294 22 1 . 1 1 13 13 VAL H H 13 7.980 7.980 8.191 -0.211 19294 23 1 . 1 1 14 14 GLY N N 14 112.259 112.259 111.257 1.002 19294 24 1 . 1 1 14 14 GLY H H 14 8.510 8.510 8.279 0.231 19294 25 1 . 1 1 15 15 THR N N 15 113.294 113.294 114.772 -1.478 19294 26 1 . 1 1 15 15 THR H H 15 8.058 8.058 8.014 0.044 19294 27 1 . 1 1 16 16 SER N N 16 118.015 118.015 118.837 -0.822 19294 28 1 . 1 1 16 16 SER H H 16 8.409 8.409 8.255 0.154 19294 29 1 . 1 1 17 17 SER N N 17 117.642 117.642 117.896 -0.255 19294 30 1 . 1 1 17 17 SER H H 17 8.336 8.336 8.408 -0.072 19294 31 1 . 1 1 18 18 GLY N N 18 110.661 110.661 109.985 0.676 19294 32 1 . 1 1 18 18 GLY H H 18 8.369 8.369 8.387 -0.018 19294 33 1 . 1 1 19 19 LYS N N 19 120.510 120.510 121.114 -0.604 19294 34 1 . 1 1 19 19 LYS H H 19 8.105 8.105 8.266 -0.161 19294 35 1 . 1 1 20 20 GLN N N 20 120.815 120.815 120.420 0.395 19294 36 1 . 1 1 20 20 GLN H H 20 8.255 8.255 8.418 -0.163 19294 37 1 . 1 1 21 21 LYS N N 21 123.190 123.190 121.064 2.126 19294 38 1 . 1 1 21 21 LYS H H 21 8.235 8.235 8.449 -0.214 19294 39 1 . 1 1 22 22 ARG N N 22 122.038 122.038 121.236 0.802 19294 40 1 . 1 1 22 22 ARG H H 22 8.005 8.005 8.403 -0.398 19294 41 1 . 1 1 23 23 TYR N N 23 122.249 122.249 120.888 1.361 19294 42 1 . 1 1 23 23 TYR H H 23 8.332 8.332 8.296 0.036 19294 43 1 . 1 1 24 24 LYS N N 24 125.906 125.906 120.664 5.242 19294 44 1 . 1 1 24 24 LYS H H 24 8.591 8.591 8.085 0.506 19294 45 1 . 1 1 25 25 PHE N N 25 124.526 124.526 119.997 4.529 19294 46 1 . 1 1 25 25 PHE H H 25 8.875 8.875 8.100 0.775 19294 47 1 . 1 1 26 26 SER N N 26 121.585 121.585 121.116 0.469 19294 48 1 . 1 1 26 26 SER H H 26 9.536 9.536 8.627 0.909 19294 49 1 . 1 1 27 27 ALA N N 27 124.035 124.035 123.776 0.259 19294 50 1 . 1 1 27 27 ALA H H 27 9.042 9.042 8.614 0.428 19294 51 1 . 1 1 28 28 SER N N 28 112.803 112.803 115.306 -2.503 19294 52 1 . 1 1 28 28 SER H H 28 8.323 8.323 8.408 -0.085 19294 53 1 . 1 1 29 29 GLU N N 29 123.527 123.527 120.499 3.028 19294 54 1 . 1 1 29 29 GLU H H 29 7.860 7.860 7.787 0.073 19294 55 1 . 1 1 30 30 ASP N N 30 120.194 120.194 119.564 0.630 19294 56 1 . 1 1 30 30 ASP H H 30 8.262 8.262 7.850 0.412 19294 57 1 . 1 1 31 31 GLU N N 31 117.806 117.806 118.911 -1.105 19294 58 1 . 1 1 31 31 GLU H H 31 8.179 8.179 7.858 0.321 19294 59 1 . 1 1 32 32 ALA N N 32 121.610 121.610 122.157 -0.547 19294 60 1 . 1 1 32 32 ALA H H 32 7.639 7.639 7.542 0.097 19294 61 1 . 1 1 33 33 ILE N N 33 117.076 117.076 118.576 -1.500 19294 62 1 . 1 1 33 33 ILE H H 33 8.144 8.144 7.293 0.851 19294 63 1 . 1 1 34 34 ILE N N 34 118.607 118.607 118.105 0.502 19294 64 1 . 1 1 34 34 ILE H H 34 7.925 7.925 7.984 -0.059 19294 65 1 . 1 1 35 35 LYS N N 35 120.394 120.394 120.449 -0.055 19294 66 1 . 1 1 35 35 LYS H H 35 8.578 8.578 7.897 0.681 19294 67 1 . 1 1 36 36 GLY N N 36 110.322 110.322 107.700 2.622 19294 68 1 . 1 1 36 36 GLY H H 36 8.866 8.866 7.954 0.912 19294 69 1 . 1 1 37 37 LEU N N 37 123.178 123.178 122.256 0.922 19294 70 1 . 1 1 37 37 LEU H H 37 8.610 8.610 8.269 0.341 19294 71 1 . 1 1 38 38 ALA N N 38 117.618 117.618 120.028 -2.409 19294 72 1 . 1 1 38 38 ALA H H 38 7.016 7.016 7.672 -0.656 19294 73 1 . 1 1 39 39 ARG N N 39 118.101 118.101 116.622 1.479 19294 74 1 . 1 1 39 39 ARG H H 39 7.274 7.274 7.470 -0.196 19294 75 1 . 1 1 40 40 PHE N N 40 120.820 120.820 118.800 2.020 19294 76 1 . 1 1 40 40 PHE H H 40 8.317 8.317 7.953 0.364 19294 77 1 . 1 1 41 41 THR N N 41 111.784 111.784 114.125 -2.341 19294 78 1 . 1 1 41 41 THR H H 41 7.967 7.967 8.363 -0.396 19294 79 1 . 1 1 42 42 LYS N N 42 119.745 119.745 122.972 -3.227 19294 80 1 . 1 1 42 42 LYS H H 42 7.909 7.909 8.471 -0.562 19294 81 1 . 1 1 43 43 GLY N N 43 109.836 109.836 108.335 1.501 19294 82 1 . 1 1 43 43 GLY H H 43 8.413 8.413 7.685 0.728 19294 83 1 . 1 1 44 44 GLN N N 44 119.385 119.385 118.757 0.628 19294 84 1 . 1 1 44 44 GLN H H 44 8.701 8.701 8.392 0.309 19294 85 1 . 1 1 45 45 GLN N N 45 117.945 117.945 117.861 0.084 19294 86 1 . 1 1 45 45 GLN H H 45 8.701 8.701 8.228 0.473 19294 87 1 . 1 1 46 46 ARG N N 46 120.031 120.031 120.600 -0.569 19294 88 1 . 1 1 46 46 ARG H H 46 7.508 7.508 8.372 -0.864 19294 89 1 . 1 1 47 47 PHE N N 47 114.942 114.942 118.231 -3.289 19294 90 1 . 1 1 47 47 PHE H H 47 8.192 8.192 7.829 0.363 19294 91 1 . 1 1 48 48 GLN N N 48 122.079 122.079 118.159 3.920 19294 92 1 . 1 1 48 48 GLN H H 48 7.952 7.952 8.343 -0.391 19294 93 1 . 1 1 49 49 GLN N N 49 117.512 117.512 119.843 -2.331 19294 94 1 . 1 1 49 49 GLN H H 49 7.873 7.873 7.883 -0.010 19294 95 1 . 1 1 50 50 ILE N N 50 119.870 119.870 120.511 -0.641 19294 96 1 . 1 1 50 50 ILE H H 50 8.000 8.000 8.370 -0.370 19294 97 1 . 1 1 51 51 TYR N N 51 119.329 119.329 121.840 -2.511 19294 98 1 . 1 1 51 51 TYR H H 51 8.349 8.349 7.952 0.397 19294 99 1 . 1 1 52 52 TYR N N 52 114.638 114.638 116.150 -1.512 19294 100 1 . 1 1 52 52 TYR H H 52 8.042 8.042 7.870 0.172 19294 101 1 . 1 1 53 53 ALA N N 53 122.239 122.239 121.707 0.532 19294 102 1 . 1 1 53 53 ALA H H 53 8.332 8.332 7.716 0.616 19294 103 1 . 1 1 54 54 TYR N N 54 115.435 115.435 117.533 -2.098 19294 104 1 . 1 1 54 54 TYR H H 54 7.358 7.358 8.333 -0.975 19294 105 1 . 1 1 55 55 ARG N N 55 118.154 118.154 121.047 -2.893 19294 106 1 . 1 1 55 55 ARG H H 55 6.625 6.625 7.302 -0.677 19294 107 1 . 1 1 56 56 SER N N 56 110.807 110.807 115.264 -4.457 19294 108 1 . 1 1 56 56 SER H H 56 8.149 8.149 7.881 0.268 19294 109 1 . 1 1 57 57 VAL N N 57 120.648 120.648 119.041 1.607 19294 110 1 . 1 1 57 57 VAL H H 57 7.790 7.790 7.685 0.105 19294 111 1 . 1 1 58 58 TRP N N 58 114.004 114.004 119.864 -5.860 19294 112 1 . 1 1 58 58 TRP H H 58 5.902 5.902 7.672 -1.770 19294 113 1 . 1 1 59 59 HIS N N 59 125.034 125.034 119.100 5.934 19294 114 1 . 1 1 59 59 HIS H H 59 8.658 8.658 8.243 0.415 19294 115 1 . 1 1 61 61 ALA N N 61 123.740 123.740 123.637 0.103 19294 116 1 . 1 1 61 61 ALA H H 61 8.220 8.220 8.103 0.117 19294 117 1 . 1 1 62 62 ARG N N 62 120.118 120.118 119.762 0.356 19294 118 1 . 1 1 62 62 ARG H H 62 8.221 8.221 8.365 -0.144 19294 119 1 . 1 1 63 63 THR N N 63 114.028 114.028 115.355 -1.327 19294 120 1 . 1 1 63 63 THR H H 63 6.860 6.860 8.226 -1.366 19294 121 1 . 1 1 64 64 VAL N N 64 120.498 120.498 122.841 -2.343 19294 122 1 . 1 1 64 64 VAL H H 64 8.104 8.104 8.075 0.029 19294 123 1 . 1 1 65 65 SER N N 65 113.818 113.818 114.218 -0.400 19294 124 1 . 1 1 65 65 SER H H 65 8.210 8.210 8.107 0.103 19294 125 1 . 1 1 66 66 GLN N N 66 119.304 119.304 120.846 -1.542 19294 126 1 . 1 1 66 66 GLN H H 66 7.471 7.471 7.638 -0.167 19294 127 1 . 1 1 67 67 LEU N N 67 118.987 118.987 121.150 -2.163 19294 128 1 . 1 1 67 67 LEU H H 67 7.724 7.724 7.517 0.207 19294 129 1 . 1 1 68 68 TYR N N 68 118.918 118.918 117.422 1.496 19294 130 1 . 1 1 68 68 TYR H H 68 7.560 7.560 8.195 -0.635 19294 131 1 . 1 1 69 69 ASP N N 69 119.021 119.021 120.475 -1.454 19294 132 1 . 1 1 69 69 ASP H H 69 8.611 8.611 7.679 0.932 19294 133 1 . 1 1 70 70 HIS N N 70 119.566 119.566 117.676 1.890 19294 134 1 . 1 1 70 70 HIS H H 70 8.217 8.217 7.609 0.608 19294 135 1 . 1 1 71 71 TRP N N 71 122.074 122.074 122.501 -0.427 19294 136 1 . 1 1 71 71 TRP H H 71 8.510 8.510 8.706 -0.196 19294 137 1 . 1 1 73 73 GLY N N 73 102.171 102.171 105.328 -3.157 19294 138 1 . 1 1 73 73 GLY H H 73 7.977 7.977 7.944 0.033 19294 139 1 . 1 1 74 74 THR N N 74 112.306 112.306 115.003 -2.697 19294 140 1 . 1 1 74 74 THR H H 74 7.190 7.190 7.590 -0.400 19294 141 1 . 1 1 75 75 LEU N N 75 122.319 122.319 120.712 1.607 19294 142 1 . 1 1 75 75 LEU H H 75 7.735 7.735 7.438 0.297 19294 143 1 . 1 1 76 76 ARG N N 76 116.956 116.956 118.305 -1.349 19294 144 1 . 1 1 76 76 ARG H H 76 8.188 8.188 7.583 0.605 19294 145 1 . 1 1 80 80 ILE N N 80 122.069 122.069 120.937 1.132 19294 146 1 . 1 1 80 80 ILE H H 80 7.862 7.862 8.064 -0.202 19294 147 1 . 1 1 81 81 GLN N N 81 122.536 122.536 122.717 -0.181 19294 148 1 . 1 1 81 81 GLN H H 81 8.161 8.161 8.381 -0.220 19294 149 1 . 1 1 83 83 GLN N N 83 120.732 120.732 120.507 0.225 19294 150 1 . 1 1 83 83 GLN H H 83 8.342 8.342 8.464 -0.122 19294 151 1 . 1 1 84 84 GLY N N 84 109.358 109.358 109.167 0.191 19294 152 1 . 1 1 84 84 GLY H H 84 8.310 8.310 8.281 0.029 19294 153 1 . 1 1 85 85 TYR N N 85 120.275 120.275 121.084 -0.809 19294 154 1 . 1 1 85 85 TYR H H 85 8.026 8.026 8.334 -0.308 19294 155 1 . 1 1 86 86 ARG N N 86 123.513 123.513 122.508 1.005 19294 156 1 . 1 1 86 86 ARG H H 86 8.217 8.217 8.488 -0.271 19294 157 1 . 1 1 87 87 GLY N N 87 108.952 108.952 109.775 -0.823 19294 158 1 . 1 1 87 87 GLY H H 87 7.760 7.760 8.210 -0.450 19294 159 1 . 1 1 88 88 LYS N N 88 120.704 120.704 120.808 -0.104 19294 160 1 . 1 1 88 88 LYS H H 88 8.193 8.193 8.155 0.038 19294 161 1 . 1 1 89 89 ASN N N 89 119.295 119.295 119.784 -0.489 19294 162 1 . 1 1 89 89 ASN H H 89 8.469 8.469 8.426 0.043 19294 163 1 . 1 1 90 90 SER N N 90 116.172 116.172 116.184 -0.012 19294 164 1 . 1 1 90 90 SER H H 90 8.164 8.164 8.271 -0.107 19294 165 1 . 1 1 91 91 VAL N N 91 121.404 121.404 120.891 0.513 19294 166 1 . 1 1 91 91 VAL H H 91 8.076 8.076 8.079 -0.003 19294 167 1 . 1 1 92 92 ALA N N 92 127.063 127.063 126.824 0.239 19294 168 1 . 1 1 92 92 ALA H H 92 8.224 8.224 8.229 -0.005 19294 169 1 . 1 1 93 93 ALA N N 93 123.146 123.146 123.622 -0.477 19294 170 1 . 1 1 93 93 ALA H H 93 8.128 8.128 8.273 -0.145 19294 171 1 . 1 1 94 94 ARG N N 94 120.040 120.040 121.489 -1.449 19294 172 1 . 1 1 94 94 ARG H H 94 8.178 8.178 8.560 -0.382 19294 173 1 . 1 1 95 95 SER N N 95 118.524 118.524 117.146 1.378 19294 174 1 . 1 1 95 95 SER H H 95 8.325 8.325 8.280 0.045 19294 175 1 . 1 1 97 97 GLU N N 97 120.828 120.828 120.706 0.122 19294 176 1 . 1 1 97 97 GLU H H 97 8.481 8.481 8.449 0.032 19294 177 1 . 1 1 98 98 LYS N N 98 122.084 122.084 121.308 0.776 19294 178 1 . 1 1 98 98 LYS H H 98 8.211 8.211 8.390 -0.179 19294 179 1 . 1 1 99 99 ALA N N 99 125.318 125.318 124.430 0.888 19294 180 1 . 1 1 99 99 ALA H H 99 8.280 8.280 8.203 0.077 19294 181 1 . 1 1 100 100 SER N N 100 114.843 114.843 115.561 -0.718 19294 182 1 . 1 1 100 100 SER H H 100 8.262 8.262 8.415 -0.153 19294 183 1 . 1 1 101 101 ASN N N 101 120.169 120.169 120.985 -0.816 19294 184 1 . 1 1 101 101 ASN H H 101 8.260 8.260 8.394 -0.134 19294 185 1 . 1 1 102 102 MET N N 102 120.309 120.309 119.855 0.454 19294 186 1 . 1 1 102 102 MET H H 102 8.262 8.262 8.239 0.023 19294 187 1 . 1 1 103 103 GLU N N 103 121.199 121.199 120.584 0.615 19294 188 1 . 1 1 103 103 GLU H H 103 8.345 8.345 8.500 -0.155 19294 189 1 . 1 1 104 104 ASN N N 104 119.139 119.139 119.578 -0.439 19294 190 1 . 1 1 104 104 ASN H H 104 8.385 8.385 8.451 -0.066 19294 191 1 . 1 1 105 105 ASN N N 105 119.640 119.640 119.259 0.381 19294 192 1 . 1 1 105 105 ASN H H 105 8.400 8.400 8.528 -0.128 19294 stop_ save_