data_17895 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17895 _Entry.PDB_ID 2LIK 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 17895 _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 2 2 ILE N N 2 123.202 123.202 121.790 1.412 17895 2 1 1 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.401 1.631 17895 3 1 1 . 1 1 2 2 ILE H H 2 9.148 9.148 7.913 1.235 17895 4 1 1 . 1 1 3 3 ILE N N 3 108.681 108.681 127.437 -18.756 17895 5 1 1 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.323 0.107 17895 6 1 1 . 1 1 3 3 ILE CA C 3 60.911 60.911 58.589 2.322 17895 7 1 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.243 2.312 17895 8 1 1 . 1 1 3 3 ILE H H 3 9.416 9.416 8.468 0.948 17895 9 1 1 . 1 1 4 4 ASN N N 4 123.966 123.966 125.330 -1.364 17895 10 1 1 . 1 1 4 4 ASN H H 4 9.081 9.081 8.913 0.168 17895 11 1 1 . 1 1 5 5 ASN N N 5 120.745 120.745 120.241 0.504 17895 12 1 1 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.844 0.585 17895 13 1 1 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.553 -0.197 17895 14 1 1 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.601 2.112 17895 15 1 1 . 1 1 5 5 ASN H H 5 9.369 9.369 8.866 0.503 17895 16 1 1 . 1 1 6 6 LEU N N 6 120.594 120.594 124.154 -3.560 17895 17 1 1 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.820 -0.054 17895 18 1 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 59.267 1.333 17895 19 1 1 . 1 1 6 6 LEU H H 6 8.538 8.538 8.998 -0.460 17895 20 1 1 . 1 1 7 7 LYS N N 7 118.177 118.177 119.361 -1.184 17895 21 1 1 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.099 -0.191 17895 22 1 1 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.144 2.162 17895 23 1 1 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.385 1.818 17895 24 1 1 . 1 1 7 7 LYS H H 7 8.940 8.940 9.447 -0.507 17895 25 1 1 . 1 1 8 8 LEU N N 8 116.356 116.356 120.372 -4.016 17895 26 1 1 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.074 0.098 17895 27 1 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.267 1.022 17895 28 1 1 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.652 2.276 17895 29 1 1 . 1 1 8 8 LEU H H 8 7.687 7.687 7.464 0.223 17895 30 1 1 . 1 1 9 9 ILE N N 9 119.134 119.134 117.755 1.379 17895 31 1 1 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.654 0.159 17895 32 1 1 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.089 0.769 17895 33 1 1 . 1 1 9 9 ILE CB C 9 37.830 37.830 36.409 1.421 17895 34 1 1 . 1 1 9 9 ILE H H 9 8.225 8.225 7.350 0.875 17895 35 1 1 . 1 1 10 10 ARG N N 10 120.162 120.162 120.958 -0.796 17895 36 1 1 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.942 -0.063 17895 37 1 1 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.525 2.143 17895 38 1 1 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.415 -1.016 17895 39 1 1 . 1 1 10 10 ARG H H 10 9.259 9.259 8.929 0.330 17895 40 1 1 . 1 1 11 11 GLU N N 11 115.878 115.878 119.979 -4.101 17895 41 1 1 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.138 0.034 17895 42 1 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.853 1.433 17895 43 1 1 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.395 1.419 17895 44 1 1 . 1 1 11 11 GLU H H 11 8.703 8.703 8.986 -0.283 17895 45 1 1 . 1 1 12 12 LYS N N 12 122.935 122.935 120.582 2.353 17895 46 1 1 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.037 0.169 17895 47 1 1 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.015 1.260 17895 48 1 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.486 0.412 17895 49 1 1 . 1 1 12 12 LYS H H 12 8.256 8.256 7.734 0.522 17895 50 1 1 . 1 1 13 13 LYS N N 13 116.350 116.350 115.879 0.471 17895 51 1 1 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.334 -0.038 17895 52 1 1 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.552 0.379 17895 53 1 1 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.719 -0.270 17895 54 1 1 . 1 1 13 13 LYS H H 13 7.813 7.813 7.603 0.210 17895 55 1 1 . 1 1 14 14 LYS N N 14 115.317 115.317 116.153 -0.836 17895 56 1 1 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.006 -0.043 17895 57 1 1 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.695 1.093 17895 58 1 1 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.782 -0.734 17895 59 1 1 . 1 1 14 14 LYS H H 14 8.068 8.068 7.478 0.590 17895 60 1 1 . 1 1 15 15 ILE N N 15 118.373 118.373 119.841 -1.468 17895 61 1 1 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.056 0.556 17895 62 1 1 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.922 1.136 17895 63 1 1 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.045 3.751 17895 64 1 1 . 1 1 15 15 ILE H H 15 7.573 7.573 8.353 -0.780 17895 65 1 1 . 1 1 16 16 SER N N 16 125.057 125.057 123.221 1.836 17895 66 1 1 . 1 1 16 16 SER HA H 16 4.566 4.566 4.616 -0.050 17895 67 1 1 . 1 1 16 16 SER CA C 16 57.781 57.781 58.556 -0.775 17895 68 1 1 . 1 1 16 16 SER H H 16 9.457 9.457 9.661 -0.204 17895 69 1 1 . 1 1 17 17 GLN N N 17 120.197 120.197 125.478 -5.281 17895 70 1 1 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.046 -0.268 17895 71 1 1 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.705 2.957 17895 72 1 1 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.262 1.399 17895 73 1 1 . 1 1 17 17 GLN H H 17 9.544 9.544 9.047 0.497 17895 74 1 1 . 1 1 18 18 SER N N 18 112.998 112.998 115.116 -2.118 17895 75 1 1 . 1 1 18 18 SER H H 18 8.985 8.985 8.718 0.267 17895 76 1 1 . 1 1 19 19 GLU N N 19 124.112 124.112 121.743 2.369 17895 77 1 1 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.111 -0.005 17895 78 1 1 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.823 0.690 17895 79 1 1 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.044 1.395 17895 80 1 1 . 1 1 19 19 GLU H H 19 8.349 8.349 8.341 0.008 17895 81 1 1 . 1 1 20 20 LEU N N 20 119.955 119.955 121.851 -1.896 17895 82 1 1 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.938 0.188 17895 83 1 1 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.116 0.276 17895 84 1 1 . 1 1 20 20 LEU H H 20 8.321 8.321 8.266 0.055 17895 85 1 1 . 1 1 21 21 ALA N N 21 119.830 119.830 121.011 -1.181 17895 86 1 1 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.877 -0.168 17895 87 1 1 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.091 1.181 17895 88 1 1 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.983 -0.248 17895 89 1 1 . 1 1 21 21 ALA H H 21 8.595 8.595 8.751 -0.156 17895 90 1 1 . 1 1 22 22 ALA N N 22 117.258 117.258 121.207 -3.949 17895 91 1 1 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.967 0.296 17895 92 1 1 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.695 0.814 17895 93 1 1 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.465 0.065 17895 94 1 1 . 1 1 22 22 ALA H H 22 7.818 7.818 7.653 0.165 17895 95 1 1 . 1 1 23 23 LEU N N 23 118.586 118.586 118.581 0.005 17895 96 1 1 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.569 0.391 17895 97 1 1 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.993 1.007 17895 98 1 1 . 1 1 23 23 LEU H H 23 7.537 7.537 7.960 -0.423 17895 99 1 1 . 1 1 24 24 LEU N N 24 114.488 114.488 114.328 0.160 17895 100 1 1 . 1 1 24 24 LEU HA H 24 4.263 4.263 3.895 0.368 17895 101 1 1 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.162 -0.468 17895 102 1 1 . 1 1 24 24 LEU H H 24 7.448 7.448 7.984 -0.536 17895 103 1 1 . 1 1 25 25 GLU N N 25 114.895 114.895 113.044 1.851 17895 104 1 1 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.016 -0.051 17895 105 1 1 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.138 0.910 17895 106 1 1 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.930 -0.038 17895 107 1 1 . 1 1 25 25 GLU H H 25 8.028 8.028 7.853 0.175 17895 108 1 1 . 1 1 26 26 VAL N N 26 109.697 109.697 112.463 -2.766 17895 109 1 1 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.489 0.384 17895 110 1 1 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.286 -0.105 17895 111 1 1 . 1 1 26 26 VAL H H 26 7.990 7.990 7.831 0.159 17895 112 1 1 . 1 1 27 27 SER N N 27 114.369 114.369 116.300 -1.931 17895 113 1 1 . 1 1 27 27 SER HA H 27 4.643 4.643 4.530 0.113 17895 114 1 1 . 1 1 27 27 SER CA C 27 57.345 57.345 58.798 -1.454 17895 115 1 1 . 1 1 27 27 SER CB C 27 63.110 63.110 63.901 -0.791 17895 116 1 1 . 1 1 27 27 SER H H 27 8.633 8.633 8.521 0.112 17895 117 1 1 . 1 1 28 28 ARG N N 28 115.276 115.276 127.316 -12.040 17895 118 1 1 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.925 -0.197 17895 119 1 1 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.539 0.218 17895 120 1 1 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.152 -0.202 17895 121 1 1 . 1 1 28 28 ARG H H 28 8.236 8.236 8.967 -0.731 17895 122 1 1 . 1 1 29 29 GLN N N 29 117.309 117.309 117.163 0.146 17895 123 1 1 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.158 -0.005 17895 124 1 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.158 0.855 17895 125 1 1 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.591 0.877 17895 126 1 1 . 1 1 29 29 GLN H H 29 8.835 8.835 8.834 0.001 17895 127 1 1 . 1 1 30 30 THR N N 30 119.984 119.984 113.660 6.324 17895 128 1 1 . 1 1 30 30 THR HA H 30 4.418 4.418 4.119 0.299 17895 129 1 1 . 1 1 30 30 THR CA C 30 68.600 68.600 65.576 3.024 17895 130 1 1 . 1 1 30 30 THR CB C 30 67.556 67.556 68.185 -0.629 17895 131 1 1 . 1 1 30 30 THR H H 30 8.136 8.136 7.945 0.191 17895 132 1 1 . 1 1 31 31 ILE N N 31 118.828 118.828 122.245 -3.417 17895 133 1 1 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.814 -0.029 17895 134 1 1 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.736 -1.807 17895 135 1 1 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.004 -1.027 17895 136 1 1 . 1 1 31 31 ILE H H 31 7.162 7.162 7.774 -0.612 17895 137 1 1 . 1 1 32 32 ASN N N 32 118.028 118.028 117.548 0.480 17895 138 1 1 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.530 -0.200 17895 139 1 1 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.299 2.896 17895 140 1 1 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.784 2.361 17895 141 1 1 . 1 1 32 32 ASN H H 32 8.668 8.668 8.716 -0.048 17895 142 1 1 . 1 1 33 33 GLY N N 33 124.941 124.941 108.862 16.079 17895 143 1 1 . 1 1 33 33 GLY H H 33 8.656 8.656 8.199 0.457 17895 144 1 1 . 1 1 34 34 ILE N N 34 122.198 122.198 123.225 -1.027 17895 145 1 1 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.829 0.455 17895 146 1 1 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.579 0.961 17895 147 1 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.900 1.286 17895 148 1 1 . 1 1 34 34 ILE H H 34 8.205 8.205 7.787 0.418 17895 149 1 1 . 1 1 35 35 GLU N N 35 120.651 120.651 119.707 0.944 17895 150 1 1 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.181 0.032 17895 151 1 1 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.504 2.088 17895 152 1 1 . 1 1 35 35 GLU CB C 35 29.752 29.752 28.862 0.890 17895 153 1 1 . 1 1 35 35 GLU H H 35 8.592 8.592 7.940 0.652 17895 154 1 1 . 1 1 36 36 LYS N N 36 115.995 115.995 116.635 -0.640 17895 155 1 1 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.202 0.300 17895 156 1 1 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.149 0.135 17895 157 1 1 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.387 0.452 17895 158 1 1 . 1 1 36 36 LYS H H 36 8.111 8.111 7.622 0.489 17895 159 1 1 . 1 1 37 37 ASN N N 37 114.563 114.563 110.784 3.779 17895 160 1 1 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.426 0.322 17895 161 1 1 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.768 1.920 17895 162 1 1 . 1 1 37 37 ASN CB C 37 37.804 37.804 36.600 1.204 17895 163 1 1 . 1 1 37 37 ASN H H 37 8.223 8.223 8.297 -0.074 17895 164 1 1 . 1 1 38 38 LYS N N 38 115.051 115.051 120.546 -5.495 17895 165 1 1 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.969 0.452 17895 166 1 1 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.091 1.905 17895 167 1 1 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.184 0.952 17895 168 1 1 . 1 1 38 38 LYS H H 38 8.734 8.734 7.735 0.999 17895 169 1 1 . 1 1 39 39 TYR N N 39 116.976 116.976 120.994 -4.018 17895 170 1 1 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.259 0.350 17895 171 1 1 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.679 -1.302 17895 172 1 1 . 1 1 39 39 TYR H H 39 7.089 7.089 7.557 -0.468 17895 173 1 1 . 1 1 40 40 ASN N N 40 123.607 123.607 121.440 2.167 17895 174 1 1 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.717 0.659 17895 175 1 1 . 1 1 40 40 ASN H H 40 8.862 8.862 8.384 0.478 17895 176 1 1 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.463 -0.674 17895 177 1 1 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.763 0.707 17895 178 1 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.229 0.232 17895 179 1 1 . 1 1 42 42 SER N N 42 125.650 125.650 115.403 10.247 17895 180 1 1 . 1 1 42 42 SER HA H 42 4.556 4.556 4.268 0.288 17895 181 1 1 . 1 1 42 42 SER CA C 42 58.198 58.198 57.715 0.483 17895 182 1 1 . 1 1 42 42 SER H H 42 8.056 8.056 8.079 -0.023 17895 183 1 1 . 1 1 43 43 LEU N N 43 120.689 120.689 122.918 -2.229 17895 184 1 1 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.078 -0.165 17895 185 1 1 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.342 0.903 17895 186 1 1 . 1 1 43 43 LEU H H 43 9.296 9.296 8.690 0.606 17895 187 1 1 . 1 1 44 44 GLN N N 44 115.960 115.960 117.592 -1.632 17895 188 1 1 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.124 -0.427 17895 189 1 1 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.870 2.002 17895 190 1 1 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.371 0.779 17895 191 1 1 . 1 1 44 44 GLN H H 44 8.915 8.915 8.590 0.325 17895 192 1 1 . 1 1 45 45 LEU N N 45 119.431 119.431 121.395 -1.964 17895 193 1 1 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.113 -0.221 17895 194 1 1 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.528 -2.004 17895 195 1 1 . 1 1 45 45 LEU H H 45 8.093 8.093 7.667 0.426 17895 196 1 1 . 1 1 46 46 ALA N N 46 120.497 120.497 121.918 -1.421 17895 197 1 1 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.992 0.042 17895 198 1 1 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.344 1.157 17895 199 1 1 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.106 2.547 17895 200 1 1 . 1 1 46 46 ALA H H 46 8.512 8.512 8.351 0.161 17895 201 1 1 . 1 1 47 47 LEU N N 47 116.461 116.461 118.507 -2.046 17895 202 1 1 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.879 0.335 17895 203 1 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.915 0.486 17895 204 1 1 . 1 1 47 47 LEU H H 47 8.675 8.675 7.585 1.090 17895 205 1 1 . 1 1 48 48 LYS N N 48 120.970 120.970 120.296 0.674 17895 206 1 1 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.097 -0.517 17895 207 1 1 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.057 0.670 17895 208 1 1 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.533 0.635 17895 209 1 1 . 1 1 48 48 LYS H H 48 8.053 8.053 8.323 -0.270 17895 210 1 1 . 1 1 49 49 ILE N N 49 120.407 120.407 120.679 -0.272 17895 211 1 1 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.833 -0.235 17895 212 1 1 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.903 2.199 17895 213 1 1 . 1 1 49 49 ILE H H 49 8.783 8.783 8.712 0.071 17895 214 1 1 . 1 1 50 50 ALA N N 50 120.445 120.445 123.299 -2.854 17895 215 1 1 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.079 -0.009 17895 216 1 1 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.322 1.078 17895 217 1 1 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.316 0.589 17895 218 1 1 . 1 1 50 50 ALA H H 50 8.182 8.182 8.335 -0.153 17895 219 1 1 . 1 1 51 51 TYR N N 51 117.070 117.070 120.358 -3.288 17895 220 1 1 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.103 0.250 17895 221 1 1 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.712 0.641 17895 222 1 1 . 1 1 51 51 TYR H H 51 8.170 8.170 8.246 -0.076 17895 223 1 1 . 1 1 52 52 TYR N N 52 118.548 118.548 115.998 2.550 17895 224 1 1 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.104 0.200 17895 225 1 1 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.397 2.412 17895 226 1 1 . 1 1 52 52 TYR H H 52 9.079 9.079 8.506 0.573 17895 227 1 1 . 1 1 53 53 LEU N N 53 115.427 115.427 117.562 -2.135 17895 228 1 1 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.164 0.372 17895 229 1 1 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.499 -1.455 17895 230 1 1 . 1 1 53 53 LEU H H 53 8.417 8.417 8.721 -0.304 17895 231 1 1 . 1 1 54 54 ASN N N 54 122.105 122.105 116.144 5.961 17895 232 1 1 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.429 0.020 17895 233 1 1 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.443 0.248 17895 234 1 1 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.651 1.980 17895 235 1 1 . 1 1 54 54 ASN H H 54 8.090 8.090 8.761 -0.671 17895 236 1 1 . 1 1 55 55 THR N N 55 114.929 114.929 114.766 0.163 17895 237 1 1 . 1 1 55 55 THR HA H 55 4.933 4.933 4.772 0.161 17895 238 1 1 . 1 1 55 55 THR CA C 55 60.962 60.962 60.469 0.493 17895 239 1 1 . 1 1 55 55 THR CB C 55 75.743 75.743 71.543 4.200 17895 240 1 1 . 1 1 55 55 THR H H 55 8.255 8.255 7.761 0.494 17895 241 1 1 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.564 0.032 17895 242 1 1 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.590 1.014 17895 243 1 1 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.434 0.485 17895 244 1 1 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.142 -0.072 17895 245 1 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.107 2.515 17895 246 1 1 . 1 1 58 58 GLU N N 58 123.143 123.143 117.661 5.482 17895 247 1 1 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.065 0.809 17895 248 1 1 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.292 0.207 17895 249 1 1 . 1 1 58 58 GLU H H 58 9.365 9.365 8.697 0.668 17895 250 1 1 . 1 1 59 59 ASP N N 59 117.681 117.681 117.841 -0.160 17895 251 1 1 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.438 0.185 17895 252 1 1 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.639 -0.177 17895 253 1 1 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.201 -0.310 17895 254 1 1 . 1 1 59 59 ASP H H 59 8.014 8.014 7.704 0.310 17895 255 1 1 . 1 1 60 60 ILE N N 60 119.519 119.519 113.578 5.941 17895 256 1 1 . 1 1 60 60 ILE H H 60 8.209 8.209 7.278 0.931 17895 257 1 1 . 1 1 61 61 PHE N N 61 115.960 115.960 118.204 -2.244 17895 258 1 1 . 1 1 61 61 PHE H H 61 8.532 8.532 8.305 0.227 17895 259 1 1 . 1 1 62 62 GLN N N 62 116.724 116.724 122.682 -5.958 17895 260 1 1 . 1 1 62 62 GLN H H 62 8.752 8.752 8.215 0.537 17895 261 1 1 . 1 1 63 63 TRP N N 63 125.611 125.611 127.276 -1.665 17895 262 1 1 . 1 1 63 63 TRP H H 63 9.476 9.476 8.947 0.529 17895 263 1 1 . 1 1 64 64 GLN N N 64 127.087 127.087 115.195 11.892 17895 264 1 1 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.204 -0.025 17895 265 1 1 . 1 1 64 64 GLN CA C 64 52.402 52.402 56.141 -3.739 17895 266 1 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.654 4.919 17895 267 1 1 . 1 1 64 64 GLN H H 64 7.989 7.989 8.345 -0.356 17895 268 1 1 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.563 0.119 17895 269 1 1 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.403 -0.889 17895 270 1 2 . 1 1 2 2 ILE N N 2 123.202 123.202 122.266 0.936 17895 271 1 2 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.862 0.170 17895 272 1 2 . 1 1 2 2 ILE H H 2 9.148 9.148 7.600 1.548 17895 273 1 2 . 1 1 3 3 ILE N N 3 108.681 108.681 126.074 -17.393 17895 274 1 2 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.126 0.304 17895 275 1 2 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.966 0.945 17895 276 1 2 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.785 2.770 17895 277 1 2 . 1 1 3 3 ILE H H 3 9.416 9.416 10.052 -0.636 17895 278 1 2 . 1 1 4 4 ASN N N 4 123.966 123.966 123.131 0.835 17895 279 1 2 . 1 1 4 4 ASN H H 4 9.081 9.081 8.747 0.334 17895 280 1 2 . 1 1 5 5 ASN N N 5 120.745 120.745 117.089 3.656 17895 281 1 2 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.573 0.856 17895 282 1 2 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.408 -0.052 17895 283 1 2 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.984 3.729 17895 284 1 2 . 1 1 5 5 ASN H H 5 9.369 9.369 8.373 0.996 17895 285 1 2 . 1 1 6 6 LEU N N 6 120.594 120.594 121.620 -1.026 17895 286 1 2 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.856 -0.090 17895 287 1 2 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.898 2.701 17895 288 1 2 . 1 1 6 6 LEU H H 6 8.538 8.538 7.702 0.836 17895 289 1 2 . 1 1 7 7 LYS N N 7 118.177 118.177 118.555 -0.378 17895 290 1 2 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.102 -0.194 17895 291 1 2 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.181 2.125 17895 292 1 2 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.289 1.914 17895 293 1 2 . 1 1 7 7 LYS H H 7 8.940 8.940 7.549 1.391 17895 294 1 2 . 1 1 8 8 LEU N N 8 116.356 116.356 120.944 -4.588 17895 295 1 2 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.065 0.107 17895 296 1 2 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.462 0.828 17895 297 1 2 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.627 2.301 17895 298 1 2 . 1 1 8 8 LEU H H 8 7.687 7.687 7.237 0.450 17895 299 1 2 . 1 1 9 9 ILE N N 9 119.134 119.134 119.042 0.092 17895 300 1 2 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.677 0.136 17895 301 1 2 . 1 1 9 9 ILE CA C 9 63.858 63.858 62.989 0.869 17895 302 1 2 . 1 1 9 9 ILE CB C 9 37.830 37.830 36.077 1.753 17895 303 1 2 . 1 1 9 9 ILE H H 9 8.225 8.225 7.945 0.280 17895 304 1 2 . 1 1 10 10 ARG N N 10 120.162 120.162 121.231 -1.069 17895 305 1 2 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.857 0.022 17895 306 1 2 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.767 1.901 17895 307 1 2 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.380 -0.980 17895 308 1 2 . 1 1 10 10 ARG H H 10 9.259 9.259 8.700 0.559 17895 309 1 2 . 1 1 11 11 GLU N N 11 115.878 115.878 119.719 -3.841 17895 310 1 2 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.054 0.118 17895 311 1 2 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.371 0.915 17895 312 1 2 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.663 1.151 17895 313 1 2 . 1 1 11 11 GLU H H 11 8.703 8.703 9.066 -0.363 17895 314 1 2 . 1 1 12 12 LYS N N 12 122.935 122.935 121.069 1.866 17895 315 1 2 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.978 0.228 17895 316 1 2 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.161 1.113 17895 317 1 2 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.451 0.447 17895 318 1 2 . 1 1 12 12 LYS H H 12 8.256 8.256 8.361 -0.105 17895 319 1 2 . 1 1 13 13 LYS N N 13 116.350 116.350 115.366 0.984 17895 320 1 2 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.280 0.016 17895 321 1 2 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.953 -0.022 17895 322 1 2 . 1 1 13 13 LYS CB C 13 32.449 32.449 33.023 -0.574 17895 323 1 2 . 1 1 13 13 LYS H H 13 7.813 7.813 7.555 0.258 17895 324 1 2 . 1 1 14 14 LYS N N 14 115.317 115.317 115.985 -0.668 17895 325 1 2 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.949 0.014 17895 326 1 2 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.675 1.113 17895 327 1 2 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.935 -0.887 17895 328 1 2 . 1 1 14 14 LYS H H 14 8.068 8.068 7.808 0.260 17895 329 1 2 . 1 1 15 15 ILE N N 15 118.373 118.373 120.137 -1.764 17895 330 1 2 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.058 0.554 17895 331 1 2 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.445 1.613 17895 332 1 2 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.821 3.975 17895 333 1 2 . 1 1 15 15 ILE H H 15 7.573 7.573 8.529 -0.956 17895 334 1 2 . 1 1 16 16 SER N N 16 125.057 125.057 122.890 2.167 17895 335 1 2 . 1 1 16 16 SER HA H 16 4.566 4.566 4.470 0.096 17895 336 1 2 . 1 1 16 16 SER CA C 16 57.781 57.781 58.687 -0.906 17895 337 1 2 . 1 1 16 16 SER H H 16 9.457 9.457 8.091 1.366 17895 338 1 2 . 1 1 17 17 GLN N N 17 120.197 120.197 125.367 -5.170 17895 339 1 2 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.009 -0.231 17895 340 1 2 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.237 3.425 17895 341 1 2 . 1 1 17 17 GLN CB C 17 29.661 29.661 27.797 1.863 17895 342 1 2 . 1 1 17 17 GLN H H 17 9.544 9.544 8.999 0.545 17895 343 1 2 . 1 1 18 18 SER N N 18 112.998 112.998 115.726 -2.728 17895 344 1 2 . 1 1 18 18 SER H H 18 8.985 8.985 8.739 0.246 17895 345 1 2 . 1 1 19 19 GLU N N 19 124.112 124.112 121.505 2.607 17895 346 1 2 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.118 -0.012 17895 347 1 2 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.774 0.739 17895 348 1 2 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.976 1.463 17895 349 1 2 . 1 1 19 19 GLU H H 19 8.349 8.349 8.405 -0.056 17895 350 1 2 . 1 1 20 20 LEU N N 20 119.955 119.955 121.502 -1.547 17895 351 1 2 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.994 0.132 17895 352 1 2 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.751 0.641 17895 353 1 2 . 1 1 20 20 LEU H H 20 8.321 8.321 8.073 0.248 17895 354 1 2 . 1 1 21 21 ALA N N 21 119.830 119.830 120.789 -0.959 17895 355 1 2 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.889 -0.180 17895 356 1 2 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.990 1.282 17895 357 1 2 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.102 -0.367 17895 358 1 2 . 1 1 21 21 ALA H H 21 8.595 8.595 8.743 -0.148 17895 359 1 2 . 1 1 22 22 ALA N N 22 117.258 117.258 121.081 -3.823 17895 360 1 2 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.954 0.309 17895 361 1 2 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.744 0.765 17895 362 1 2 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.430 0.100 17895 363 1 2 . 1 1 22 22 ALA H H 22 7.818 7.818 7.498 0.320 17895 364 1 2 . 1 1 23 23 LEU N N 23 118.586 118.586 117.851 0.735 17895 365 1 2 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.623 0.337 17895 366 1 2 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.030 0.970 17895 367 1 2 . 1 1 23 23 LEU H H 23 7.537 7.537 7.468 0.069 17895 368 1 2 . 1 1 24 24 LEU N N 24 114.488 114.488 114.070 0.418 17895 369 1 2 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.017 0.246 17895 370 1 2 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.188 -0.494 17895 371 1 2 . 1 1 24 24 LEU H H 24 7.448 7.448 7.438 0.010 17895 372 1 2 . 1 1 25 25 GLU N N 25 114.895 114.895 113.477 1.418 17895 373 1 2 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.961 0.004 17895 374 1 2 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.165 0.883 17895 375 1 2 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.824 0.069 17895 376 1 2 . 1 1 25 25 GLU H H 25 8.028 8.028 7.898 0.130 17895 377 1 2 . 1 1 26 26 VAL N N 26 109.697 109.697 113.062 -3.365 17895 378 1 2 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.517 0.356 17895 379 1 2 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.309 -0.127 17895 380 1 2 . 1 1 26 26 VAL H H 26 7.990 7.990 7.679 0.311 17895 381 1 2 . 1 1 27 27 SER N N 27 114.369 114.369 116.583 -2.214 17895 382 1 2 . 1 1 27 27 SER HA H 27 4.643 4.643 4.486 0.157 17895 383 1 2 . 1 1 27 27 SER CA C 27 57.345 57.345 58.472 -1.127 17895 384 1 2 . 1 1 27 27 SER CB C 27 63.110 63.110 64.065 -0.955 17895 385 1 2 . 1 1 27 27 SER H H 27 8.633 8.633 8.459 0.174 17895 386 1 2 . 1 1 28 28 ARG N N 28 115.276 115.276 125.798 -10.522 17895 387 1 2 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.917 -0.189 17895 388 1 2 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.351 0.407 17895 389 1 2 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.983 -0.033 17895 390 1 2 . 1 1 28 28 ARG H H 28 8.236 8.236 8.934 -0.698 17895 391 1 2 . 1 1 29 29 GLN N N 29 117.309 117.309 116.000 1.309 17895 392 1 2 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.212 -0.059 17895 393 1 2 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.058 0.955 17895 394 1 2 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.556 0.912 17895 395 1 2 . 1 1 29 29 GLN H H 29 8.835 8.835 8.895 -0.060 17895 396 1 2 . 1 1 30 30 THR N N 30 119.984 119.984 114.877 5.107 17895 397 1 2 . 1 1 30 30 THR HA H 30 4.418 4.418 4.080 0.338 17895 398 1 2 . 1 1 30 30 THR CA C 30 68.600 68.600 65.493 3.107 17895 399 1 2 . 1 1 30 30 THR CB C 30 67.556 67.556 68.458 -0.902 17895 400 1 2 . 1 1 30 30 THR H H 30 8.136 8.136 7.403 0.733 17895 401 1 2 . 1 1 31 31 ILE N N 31 118.828 118.828 122.050 -3.222 17895 402 1 2 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.730 0.055 17895 403 1 2 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.375 -1.446 17895 404 1 2 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.013 -1.036 17895 405 1 2 . 1 1 31 31 ILE H H 31 7.162 7.162 7.554 -0.392 17895 406 1 2 . 1 1 32 32 ASN N N 32 118.028 118.028 117.254 0.774 17895 407 1 2 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.693 -0.363 17895 408 1 2 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.237 2.958 17895 409 1 2 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.421 2.724 17895 410 1 2 . 1 1 32 32 ASN H H 32 8.668 8.668 9.043 -0.375 17895 411 1 2 . 1 1 33 33 GLY N N 33 124.941 124.941 109.352 15.589 17895 412 1 2 . 1 1 33 33 GLY H H 33 8.656 8.656 7.703 0.953 17895 413 1 2 . 1 1 34 34 ILE N N 34 122.198 122.198 122.951 -0.753 17895 414 1 2 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.615 0.669 17895 415 1 2 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.894 0.646 17895 416 1 2 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.957 1.229 17895 417 1 2 . 1 1 34 34 ILE H H 34 8.205 8.205 7.561 0.644 17895 418 1 2 . 1 1 35 35 GLU N N 35 120.651 120.651 117.413 3.238 17895 419 1 2 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.291 -0.078 17895 420 1 2 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.173 2.419 17895 421 1 2 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.352 0.400 17895 422 1 2 . 1 1 35 35 GLU H H 35 8.592 8.592 7.708 0.884 17895 423 1 2 . 1 1 36 36 LYS N N 36 115.995 115.995 118.853 -2.858 17895 424 1 2 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.089 0.413 17895 425 1 2 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.356 -2.072 17895 426 1 2 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.133 -0.294 17895 427 1 2 . 1 1 36 36 LYS H H 36 8.111 8.111 7.677 0.434 17895 428 1 2 . 1 1 37 37 ASN N N 37 114.563 114.563 108.154 6.409 17895 429 1 2 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.893 -0.145 17895 430 1 2 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.328 2.360 17895 431 1 2 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.253 -1.449 17895 432 1 2 . 1 1 37 37 ASN H H 37 8.223 8.223 8.286 -0.063 17895 433 1 2 . 1 1 38 38 LYS N N 38 115.051 115.051 122.047 -6.996 17895 434 1 2 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.225 0.196 17895 435 1 2 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.905 0.091 17895 436 1 2 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.181 0.955 17895 437 1 2 . 1 1 38 38 LYS H H 38 8.734 8.734 8.213 0.521 17895 438 1 2 . 1 1 39 39 TYR N N 39 116.976 116.976 117.380 -0.404 17895 439 1 2 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.349 0.260 17895 440 1 2 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.718 -0.341 17895 441 1 2 . 1 1 39 39 TYR H H 39 7.089 7.089 8.565 -1.476 17895 442 1 2 . 1 1 40 40 ASN N N 40 123.607 123.607 118.153 5.454 17895 443 1 2 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.335 1.041 17895 444 1 2 . 1 1 40 40 ASN H H 40 8.862 8.862 8.396 0.466 17895 445 1 2 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.486 -0.697 17895 446 1 2 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.572 0.898 17895 447 1 2 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.162 0.299 17895 448 1 2 . 1 1 42 42 SER N N 42 125.650 125.650 115.124 10.526 17895 449 1 2 . 1 1 42 42 SER HA H 42 4.556 4.556 4.291 0.265 17895 450 1 2 . 1 1 42 42 SER CA C 42 58.198 58.198 58.600 -0.402 17895 451 1 2 . 1 1 42 42 SER H H 42 8.056 8.056 8.424 -0.368 17895 452 1 2 . 1 1 43 43 LEU N N 43 120.689 120.689 125.057 -4.368 17895 453 1 2 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.952 -0.039 17895 454 1 2 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.723 0.522 17895 455 1 2 . 1 1 43 43 LEU H H 43 9.296 9.296 8.745 0.551 17895 456 1 2 . 1 1 44 44 GLN N N 44 115.960 115.960 119.982 -4.022 17895 457 1 2 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.130 -0.433 17895 458 1 2 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.916 1.956 17895 459 1 2 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.544 0.606 17895 460 1 2 . 1 1 44 44 GLN H H 44 8.915 8.915 8.518 0.397 17895 461 1 2 . 1 1 45 45 LEU N N 45 119.431 119.431 120.201 -0.770 17895 462 1 2 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.123 -0.231 17895 463 1 2 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.919 -2.395 17895 464 1 2 . 1 1 45 45 LEU H H 45 8.093 8.093 8.037 0.056 17895 465 1 2 . 1 1 46 46 ALA N N 46 120.497 120.497 122.475 -1.978 17895 466 1 2 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.227 -0.193 17895 467 1 2 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.458 1.043 17895 468 1 2 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.402 2.251 17895 469 1 2 . 1 1 46 46 ALA H H 46 8.512 8.512 8.676 -0.164 17895 470 1 2 . 1 1 47 47 LEU N N 47 116.461 116.461 119.111 -2.650 17895 471 1 2 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.885 0.329 17895 472 1 2 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.326 0.075 17895 473 1 2 . 1 1 47 47 LEU H H 47 8.675 8.675 9.012 -0.337 17895 474 1 2 . 1 1 48 48 LYS N N 48 120.970 120.970 119.877 1.093 17895 475 1 2 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.198 -0.618 17895 476 1 2 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.237 0.490 17895 477 1 2 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.532 0.636 17895 478 1 2 . 1 1 48 48 LYS H H 48 8.053 8.053 8.536 -0.483 17895 479 1 2 . 1 1 49 49 ILE N N 49 120.407 120.407 120.503 -0.096 17895 480 1 2 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.745 -0.147 17895 481 1 2 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.501 2.601 17895 482 1 2 . 1 1 49 49 ILE H H 49 8.783 8.783 8.423 0.360 17895 483 1 2 . 1 1 50 50 ALA N N 50 120.445 120.445 123.642 -3.197 17895 484 1 2 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.206 -0.136 17895 485 1 2 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.095 1.305 17895 486 1 2 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.342 0.563 17895 487 1 2 . 1 1 50 50 ALA H H 50 8.182 8.182 8.782 -0.600 17895 488 1 2 . 1 1 51 51 TYR N N 51 117.070 117.070 120.243 -3.173 17895 489 1 2 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.049 0.304 17895 490 1 2 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.170 0.182 17895 491 1 2 . 1 1 51 51 TYR H H 51 8.170 8.170 8.546 -0.376 17895 492 1 2 . 1 1 52 52 TYR N N 52 118.548 118.548 116.000 2.548 17895 493 1 2 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.287 0.017 17895 494 1 2 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.689 2.119 17895 495 1 2 . 1 1 52 52 TYR H H 52 9.079 9.079 8.520 0.559 17895 496 1 2 . 1 1 53 53 LEU N N 53 115.427 115.427 117.527 -2.100 17895 497 1 2 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.177 0.359 17895 498 1 2 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.284 -1.240 17895 499 1 2 . 1 1 53 53 LEU H H 53 8.417 8.417 8.439 -0.022 17895 500 1 2 . 1 1 54 54 ASN N N 54 122.105 122.105 115.786 6.319 17895 501 1 2 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.416 0.033 17895 502 1 2 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.347 0.344 17895 503 1 2 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.185 2.446 17895 504 1 2 . 1 1 54 54 ASN H H 54 8.090 8.090 8.066 0.024 17895 505 1 2 . 1 1 55 55 THR N N 55 114.929 114.929 115.060 -0.131 17895 506 1 2 . 1 1 55 55 THR HA H 55 4.933 4.933 4.722 0.211 17895 507 1 2 . 1 1 55 55 THR CA C 55 60.962 60.962 60.091 0.871 17895 508 1 2 . 1 1 55 55 THR CB C 55 75.743 75.743 71.930 3.813 17895 509 1 2 . 1 1 55 55 THR H H 55 8.255 8.255 8.427 -0.172 17895 510 1 2 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.452 0.144 17895 511 1 2 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.751 0.853 17895 512 1 2 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.265 0.654 17895 513 1 2 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.950 0.120 17895 514 1 2 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.168 2.454 17895 515 1 2 . 1 1 58 58 GLU N N 58 123.143 123.143 118.555 4.588 17895 516 1 2 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.663 1.211 17895 517 1 2 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.215 0.284 17895 518 1 2 . 1 1 58 58 GLU H H 58 9.365 9.365 8.560 0.805 17895 519 1 2 . 1 1 59 59 ASP N N 59 117.681 117.681 117.432 0.249 17895 520 1 2 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.324 0.299 17895 521 1 2 . 1 1 59 59 ASP CA C 59 56.462 56.462 57.304 -0.842 17895 522 1 2 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.092 -0.201 17895 523 1 2 . 1 1 59 59 ASP H H 59 8.014 8.014 7.547 0.467 17895 524 1 2 . 1 1 60 60 ILE N N 60 119.519 119.519 114.414 5.105 17895 525 1 2 . 1 1 60 60 ILE H H 60 8.209 8.209 7.171 1.038 17895 526 1 2 . 1 1 61 61 PHE N N 61 115.960 115.960 119.742 -3.782 17895 527 1 2 . 1 1 61 61 PHE H H 61 8.532 8.532 7.931 0.601 17895 528 1 2 . 1 1 62 62 GLN N N 62 116.724 116.724 119.192 -2.468 17895 529 1 2 . 1 1 62 62 GLN H H 62 8.752 8.752 8.093 0.659 17895 530 1 2 . 1 1 63 63 TRP N N 63 125.611 125.611 121.195 4.416 17895 531 1 2 . 1 1 63 63 TRP H H 63 9.476 9.476 8.390 1.086 17895 532 1 2 . 1 1 64 64 GLN N N 64 127.087 127.087 118.557 8.530 17895 533 1 2 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.274 -0.095 17895 534 1 2 . 1 1 64 64 GLN CA C 64 52.402 52.402 55.275 -2.873 17895 535 1 2 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.201 3.372 17895 536 1 2 . 1 1 64 64 GLN H H 64 7.989 7.989 8.173 -0.184 17895 537 1 2 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.272 0.410 17895 538 1 2 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.271 -1.757 17895 539 1 3 . 1 1 2 2 ILE N N 2 123.202 123.202 122.128 1.074 17895 540 1 3 . 1 1 2 2 ILE CB C 2 40.032 40.032 37.715 2.317 17895 541 1 3 . 1 1 2 2 ILE H H 2 9.148 9.148 7.722 1.426 17895 542 1 3 . 1 1 3 3 ILE N N 3 108.681 108.681 127.555 -18.874 17895 543 1 3 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.258 0.172 17895 544 1 3 . 1 1 3 3 ILE CA C 3 60.911 60.911 58.472 2.439 17895 545 1 3 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.194 3.361 17895 546 1 3 . 1 1 3 3 ILE H H 3 9.416 9.416 8.475 0.941 17895 547 1 3 . 1 1 4 4 ASN N N 4 123.966 123.966 125.685 -1.719 17895 548 1 3 . 1 1 4 4 ASN H H 4 9.081 9.081 8.408 0.673 17895 549 1 3 . 1 1 5 5 ASN N N 5 120.745 120.745 119.873 0.872 17895 550 1 3 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.447 0.982 17895 551 1 3 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.474 -1.118 17895 552 1 3 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.835 2.878 17895 553 1 3 . 1 1 5 5 ASN H H 5 9.369 9.369 7.861 1.508 17895 554 1 3 . 1 1 6 6 LEU N N 6 120.594 120.594 122.536 -1.942 17895 555 1 3 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.917 -0.151 17895 556 1 3 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.261 2.338 17895 557 1 3 . 1 1 6 6 LEU H H 6 8.538 8.538 7.702 0.836 17895 558 1 3 . 1 1 7 7 LYS N N 7 118.177 118.177 117.571 0.606 17895 559 1 3 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.081 -0.173 17895 560 1 3 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.091 2.215 17895 561 1 3 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.348 1.855 17895 562 1 3 . 1 1 7 7 LYS H H 7 8.940 8.940 7.427 1.513 17895 563 1 3 . 1 1 8 8 LEU N N 8 116.356 116.356 120.403 -4.047 17895 564 1 3 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.139 0.033 17895 565 1 3 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.705 1.585 17895 566 1 3 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.943 1.985 17895 567 1 3 . 1 1 8 8 LEU H H 8 7.687 7.687 7.769 -0.082 17895 568 1 3 . 1 1 9 9 ILE N N 9 119.134 119.134 118.899 0.235 17895 569 1 3 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.504 0.309 17895 570 1 3 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.753 -1.895 17895 571 1 3 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.691 0.139 17895 572 1 3 . 1 1 9 9 ILE H H 9 8.225 8.225 8.278 -0.053 17895 573 1 3 . 1 1 10 10 ARG N N 10 120.162 120.162 120.818 -0.656 17895 574 1 3 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.955 -0.076 17895 575 1 3 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.456 2.212 17895 576 1 3 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.171 -0.772 17895 577 1 3 . 1 1 10 10 ARG H H 10 9.259 9.259 8.835 0.424 17895 578 1 3 . 1 1 11 11 GLU N N 11 115.878 115.878 118.326 -2.448 17895 579 1 3 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.283 -0.111 17895 580 1 3 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.619 1.667 17895 581 1 3 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.745 1.069 17895 582 1 3 . 1 1 11 11 GLU H H 11 8.703 8.703 8.784 -0.081 17895 583 1 3 . 1 1 12 12 LYS N N 12 122.935 122.935 122.331 0.604 17895 584 1 3 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.970 0.236 17895 585 1 3 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.319 0.956 17895 586 1 3 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.564 0.334 17895 587 1 3 . 1 1 12 12 LYS H H 12 8.256 8.256 8.241 0.015 17895 588 1 3 . 1 1 13 13 LYS N N 13 116.350 116.350 115.705 0.645 17895 589 1 3 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.341 -0.045 17895 590 1 3 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.923 0.008 17895 591 1 3 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.666 -0.217 17895 592 1 3 . 1 1 13 13 LYS H H 13 7.813 7.813 7.514 0.299 17895 593 1 3 . 1 1 14 14 LYS N N 14 115.317 115.317 116.499 -1.182 17895 594 1 3 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.012 -0.049 17895 595 1 3 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.625 1.163 17895 596 1 3 . 1 1 14 14 LYS CB C 14 29.048 29.048 30.029 -0.981 17895 597 1 3 . 1 1 14 14 LYS H H 14 8.068 8.068 7.991 0.077 17895 598 1 3 . 1 1 15 15 ILE N N 15 118.373 118.373 120.424 -2.051 17895 599 1 3 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.135 0.477 17895 600 1 3 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.616 0.442 17895 601 1 3 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.796 3.000 17895 602 1 3 . 1 1 15 15 ILE H H 15 7.573 7.573 8.704 -1.131 17895 603 1 3 . 1 1 16 16 SER N N 16 125.057 125.057 123.258 1.799 17895 604 1 3 . 1 1 16 16 SER HA H 16 4.566 4.566 4.572 -0.006 17895 605 1 3 . 1 1 16 16 SER CA C 16 57.781 57.781 58.191 -0.410 17895 606 1 3 . 1 1 16 16 SER H H 16 9.457 9.457 8.838 0.619 17895 607 1 3 . 1 1 17 17 GLN N N 17 120.197 120.197 123.165 -2.968 17895 608 1 3 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.028 -0.250 17895 609 1 3 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.774 2.888 17895 610 1 3 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.085 1.576 17895 611 1 3 . 1 1 17 17 GLN H H 17 9.544 9.544 9.017 0.527 17895 612 1 3 . 1 1 18 18 SER N N 18 112.998 112.998 115.043 -2.045 17895 613 1 3 . 1 1 18 18 SER H H 18 8.985 8.985 8.733 0.252 17895 614 1 3 . 1 1 19 19 GLU N N 19 124.112 124.112 120.888 3.224 17895 615 1 3 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.084 0.022 17895 616 1 3 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.746 0.767 17895 617 1 3 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.035 1.404 17895 618 1 3 . 1 1 19 19 GLU H H 19 8.349 8.349 8.428 -0.079 17895 619 1 3 . 1 1 20 20 LEU N N 20 119.955 119.955 122.262 -2.307 17895 620 1 3 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.790 0.336 17895 621 1 3 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.778 0.614 17895 622 1 3 . 1 1 20 20 LEU H H 20 8.321 8.321 7.709 0.612 17895 623 1 3 . 1 1 21 21 ALA N N 21 119.830 119.830 120.887 -1.057 17895 624 1 3 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.881 -0.172 17895 625 1 3 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.041 1.231 17895 626 1 3 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.024 -0.289 17895 627 1 3 . 1 1 21 21 ALA H H 21 8.595 8.595 8.765 -0.170 17895 628 1 3 . 1 1 22 22 ALA N N 22 117.258 117.258 121.339 -4.081 17895 629 1 3 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.020 0.243 17895 630 1 3 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.789 0.720 17895 631 1 3 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.243 0.287 17895 632 1 3 . 1 1 22 22 ALA H H 22 7.818 7.818 7.446 0.372 17895 633 1 3 . 1 1 23 23 LEU N N 23 118.586 118.586 118.229 0.357 17895 634 1 3 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.858 0.102 17895 635 1 3 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.117 0.883 17895 636 1 3 . 1 1 23 23 LEU H H 23 7.537 7.537 7.460 0.077 17895 637 1 3 . 1 1 24 24 LEU N N 24 114.488 114.488 114.972 -0.484 17895 638 1 3 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.156 0.107 17895 639 1 3 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.096 -0.402 17895 640 1 3 . 1 1 24 24 LEU H H 24 7.448 7.448 7.969 -0.521 17895 641 1 3 . 1 1 25 25 GLU N N 25 114.895 114.895 112.516 2.379 17895 642 1 3 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.990 -0.025 17895 643 1 3 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.270 0.778 17895 644 1 3 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.685 0.208 17895 645 1 3 . 1 1 25 25 GLU H H 25 8.028 8.028 8.086 -0.058 17895 646 1 3 . 1 1 26 26 VAL N N 26 109.697 109.697 113.232 -3.535 17895 647 1 3 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.496 0.377 17895 648 1 3 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.394 -0.213 17895 649 1 3 . 1 1 26 26 VAL H H 26 7.990 7.990 7.705 0.285 17895 650 1 3 . 1 1 27 27 SER N N 27 114.369 114.369 116.491 -2.122 17895 651 1 3 . 1 1 27 27 SER HA H 27 4.643 4.643 4.464 0.179 17895 652 1 3 . 1 1 27 27 SER CA C 27 57.345 57.345 58.955 -1.610 17895 653 1 3 . 1 1 27 27 SER CB C 27 63.110 63.110 64.008 -0.898 17895 654 1 3 . 1 1 27 27 SER H H 27 8.633 8.633 8.444 0.189 17895 655 1 3 . 1 1 28 28 ARG N N 28 115.276 115.276 126.837 -11.561 17895 656 1 3 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.926 -0.198 17895 657 1 3 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.073 0.685 17895 658 1 3 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.097 -0.147 17895 659 1 3 . 1 1 28 28 ARG H H 28 8.236 8.236 8.896 -0.660 17895 660 1 3 . 1 1 29 29 GLN N N 29 117.309 117.309 115.711 1.598 17895 661 1 3 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.091 0.062 17895 662 1 3 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.736 1.277 17895 663 1 3 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.797 0.671 17895 664 1 3 . 1 1 29 29 GLN H H 29 8.835 8.835 8.850 -0.015 17895 665 1 3 . 1 1 30 30 THR N N 30 119.984 119.984 116.383 3.601 17895 666 1 3 . 1 1 30 30 THR HA H 30 4.418 4.418 4.064 0.354 17895 667 1 3 . 1 1 30 30 THR CA C 30 68.600 68.600 65.382 3.218 17895 668 1 3 . 1 1 30 30 THR CB C 30 67.556 67.556 68.382 -0.826 17895 669 1 3 . 1 1 30 30 THR H H 30 8.136 8.136 7.374 0.762 17895 670 1 3 . 1 1 31 31 ILE N N 31 118.828 118.828 121.947 -3.119 17895 671 1 3 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.788 -0.003 17895 672 1 3 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.734 -1.805 17895 673 1 3 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.776 -0.799 17895 674 1 3 . 1 1 31 31 ILE H H 31 7.162 7.162 7.547 -0.385 17895 675 1 3 . 1 1 32 32 ASN N N 32 118.028 118.028 117.893 0.135 17895 676 1 3 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.839 -0.509 17895 677 1 3 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.883 2.312 17895 678 1 3 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.438 2.707 17895 679 1 3 . 1 1 32 32 ASN H H 32 8.668 8.668 8.278 0.390 17895 680 1 3 . 1 1 33 33 GLY N N 33 124.941 124.941 109.053 15.888 17895 681 1 3 . 1 1 33 33 GLY H H 33 8.656 8.656 7.476 1.180 17895 682 1 3 . 1 1 34 34 ILE N N 34 122.198 122.198 122.490 -0.292 17895 683 1 3 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.722 0.562 17895 684 1 3 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.856 0.684 17895 685 1 3 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.110 1.076 17895 686 1 3 . 1 1 34 34 ILE H H 34 8.205 8.205 8.096 0.109 17895 687 1 3 . 1 1 35 35 GLU N N 35 120.651 120.651 117.126 3.525 17895 688 1 3 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.217 -0.004 17895 689 1 3 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.775 1.817 17895 690 1 3 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.314 0.438 17895 691 1 3 . 1 1 35 35 GLU H H 35 8.592 8.592 7.994 0.598 17895 692 1 3 . 1 1 36 36 LYS N N 36 115.995 115.995 119.705 -3.710 17895 693 1 3 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.049 0.453 17895 694 1 3 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.332 -3.048 17895 695 1 3 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.944 -0.105 17895 696 1 3 . 1 1 36 36 LYS H H 36 8.111 8.111 7.503 0.608 17895 697 1 3 . 1 1 37 37 ASN N N 37 114.563 114.563 109.702 4.861 17895 698 1 3 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.657 0.091 17895 699 1 3 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.722 1.966 17895 700 1 3 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.089 -1.284 17895 701 1 3 . 1 1 37 37 ASN H H 37 8.223 8.223 8.330 -0.107 17895 702 1 3 . 1 1 38 38 LYS N N 38 115.051 115.051 122.105 -7.054 17895 703 1 3 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.860 0.561 17895 704 1 3 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.315 0.681 17895 705 1 3 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.914 1.222 17895 706 1 3 . 1 1 38 38 LYS H H 38 8.734 8.734 8.092 0.642 17895 707 1 3 . 1 1 39 39 TYR N N 39 116.976 116.976 116.543 0.433 17895 708 1 3 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.354 0.255 17895 709 1 3 . 1 1 39 39 TYR CA C 39 56.377 56.377 58.400 -2.023 17895 710 1 3 . 1 1 39 39 TYR H H 39 7.089 7.089 7.201 -0.112 17895 711 1 3 . 1 1 40 40 ASN N N 40 123.607 123.607 121.181 2.426 17895 712 1 3 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.367 1.010 17895 713 1 3 . 1 1 40 40 ASN H H 40 8.862 8.862 8.482 0.380 17895 714 1 3 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.376 -0.587 17895 715 1 3 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.366 1.104 17895 716 1 3 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.252 0.209 17895 717 1 3 . 1 1 42 42 SER N N 42 125.650 125.650 115.597 10.053 17895 718 1 3 . 1 1 42 42 SER HA H 42 4.556 4.556 4.368 0.188 17895 719 1 3 . 1 1 42 42 SER CA C 42 58.198 58.198 58.029 0.169 17895 720 1 3 . 1 1 42 42 SER H H 42 8.056 8.056 8.175 -0.119 17895 721 1 3 . 1 1 43 43 LEU N N 43 120.689 120.689 124.124 -3.435 17895 722 1 3 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.109 -0.196 17895 723 1 3 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.466 0.779 17895 724 1 3 . 1 1 43 43 LEU H H 43 9.296 9.296 8.739 0.557 17895 725 1 3 . 1 1 44 44 GLN N N 44 115.960 115.960 118.141 -2.181 17895 726 1 3 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.101 -0.404 17895 727 1 3 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.377 1.495 17895 728 1 3 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.237 0.913 17895 729 1 3 . 1 1 44 44 GLN H H 44 8.915 8.915 8.714 0.201 17895 730 1 3 . 1 1 45 45 LEU N N 45 119.431 119.431 121.069 -1.638 17895 731 1 3 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.100 -0.208 17895 732 1 3 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.614 -2.090 17895 733 1 3 . 1 1 45 45 LEU H H 45 8.093 8.093 7.448 0.645 17895 734 1 3 . 1 1 46 46 ALA N N 46 120.497 120.497 122.527 -2.030 17895 735 1 3 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.973 0.061 17895 736 1 3 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.367 1.135 17895 737 1 3 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.286 2.367 17895 738 1 3 . 1 1 46 46 ALA H H 46 8.512 8.512 8.802 -0.290 17895 739 1 3 . 1 1 47 47 LEU N N 47 116.461 116.461 119.022 -2.561 17895 740 1 3 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.513 0.701 17895 741 1 3 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.070 0.331 17895 742 1 3 . 1 1 47 47 LEU H H 47 8.675 8.675 8.911 -0.236 17895 743 1 3 . 1 1 48 48 LYS N N 48 120.970 120.970 120.181 0.789 17895 744 1 3 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.188 -0.608 17895 745 1 3 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.989 0.739 17895 746 1 3 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.373 0.795 17895 747 1 3 . 1 1 48 48 LYS H H 48 8.053 8.053 8.154 -0.101 17895 748 1 3 . 1 1 49 49 ILE N N 49 120.407 120.407 120.342 0.065 17895 749 1 3 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.752 -0.154 17895 750 1 3 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.549 2.553 17895 751 1 3 . 1 1 49 49 ILE H H 49 8.783 8.783 8.328 0.456 17895 752 1 3 . 1 1 50 50 ALA N N 50 120.445 120.445 123.350 -2.905 17895 753 1 3 . 1 1 50 50 ALA HA H 50 4.070 4.070 3.997 0.073 17895 754 1 3 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.384 1.016 17895 755 1 3 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.150 0.755 17895 756 1 3 . 1 1 50 50 ALA H H 50 8.182 8.182 8.855 -0.673 17895 757 1 3 . 1 1 51 51 TYR N N 51 117.070 117.070 118.346 -1.276 17895 758 1 3 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.176 0.176 17895 759 1 3 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.432 0.921 17895 760 1 3 . 1 1 51 51 TYR H H 51 8.170 8.170 8.644 -0.474 17895 761 1 3 . 1 1 52 52 TYR N N 52 118.548 118.548 118.333 0.215 17895 762 1 3 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.230 0.074 17895 763 1 3 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.619 3.189 17895 764 1 3 . 1 1 52 52 TYR H H 52 9.079 9.079 7.940 1.139 17895 765 1 3 . 1 1 53 53 LEU N N 53 115.427 115.427 117.725 -2.298 17895 766 1 3 . 1 1 53 53 LEU HA H 53 4.536 4.536 3.813 0.723 17895 767 1 3 . 1 1 53 53 LEU CA C 53 55.044 55.044 57.293 -2.249 17895 768 1 3 . 1 1 53 53 LEU H H 53 8.417 8.417 8.603 -0.186 17895 769 1 3 . 1 1 54 54 ASN N N 54 122.105 122.105 113.401 8.704 17895 770 1 3 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.425 0.024 17895 771 1 3 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.014 0.677 17895 772 1 3 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.561 1.070 17895 773 1 3 . 1 1 54 54 ASN H H 54 8.090 8.090 8.845 -0.755 17895 774 1 3 . 1 1 55 55 THR N N 55 114.929 114.929 116.299 -1.370 17895 775 1 3 . 1 1 55 55 THR HA H 55 4.933 4.933 4.703 0.230 17895 776 1 3 . 1 1 55 55 THR CA C 55 60.962 60.962 60.059 0.903 17895 777 1 3 . 1 1 55 55 THR CB C 55 75.743 75.743 70.777 4.966 17895 778 1 3 . 1 1 55 55 THR H H 55 8.255 8.255 7.558 0.697 17895 779 1 3 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.436 0.160 17895 780 1 3 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.308 1.296 17895 781 1 3 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.384 0.535 17895 782 1 3 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.026 0.044 17895 783 1 3 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.305 2.317 17895 784 1 3 . 1 1 58 58 GLU N N 58 123.143 123.143 117.620 5.523 17895 785 1 3 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.052 0.822 17895 786 1 3 . 1 1 58 58 GLU CA C 58 59.499 59.499 58.991 0.508 17895 787 1 3 . 1 1 58 58 GLU H H 58 9.365 9.365 8.439 0.926 17895 788 1 3 . 1 1 59 59 ASP N N 59 117.681 117.681 117.591 0.090 17895 789 1 3 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.339 0.284 17895 790 1 3 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.621 -0.159 17895 791 1 3 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.768 0.123 17895 792 1 3 . 1 1 59 59 ASP H H 59 8.014 8.014 7.411 0.603 17895 793 1 3 . 1 1 60 60 ILE N N 60 119.519 119.519 118.294 1.225 17895 794 1 3 . 1 1 60 60 ILE H H 60 8.209 8.209 7.346 0.863 17895 795 1 3 . 1 1 61 61 PHE N N 61 115.960 115.960 113.406 2.554 17895 796 1 3 . 1 1 61 61 PHE H H 61 8.532 8.532 8.335 0.197 17895 797 1 3 . 1 1 62 62 GLN N N 62 116.724 116.724 119.111 -2.387 17895 798 1 3 . 1 1 62 62 GLN H H 62 8.752 8.752 8.173 0.579 17895 799 1 3 . 1 1 63 63 TRP N N 63 125.611 125.611 120.405 5.206 17895 800 1 3 . 1 1 63 63 TRP H H 63 9.476 9.476 7.884 1.592 17895 801 1 3 . 1 1 64 64 GLN N N 64 127.087 127.087 112.792 14.295 17895 802 1 3 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.072 0.107 17895 803 1 3 . 1 1 64 64 GLN CA C 64 52.402 52.402 57.116 -4.714 17895 804 1 3 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.005 5.568 17895 805 1 3 . 1 1 64 64 GLN H H 64 7.989 7.989 8.407 -0.418 17895 806 1 3 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.462 0.220 17895 807 1 3 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.562 -1.048 17895 808 1 4 . 1 1 2 2 ILE N N 2 123.202 123.202 122.310 0.892 17895 809 1 4 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.860 -0.828 17895 810 1 4 . 1 1 2 2 ILE H H 2 9.148 9.148 7.709 1.439 17895 811 1 4 . 1 1 3 3 ILE N N 3 108.681 108.681 128.315 -19.634 17895 812 1 4 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.301 0.129 17895 813 1 4 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.369 1.542 17895 814 1 4 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.655 2.900 17895 815 1 4 . 1 1 3 3 ILE H H 3 9.416 9.416 9.486 -0.070 17895 816 1 4 . 1 1 4 4 ASN N N 4 123.966 123.966 123.170 0.796 17895 817 1 4 . 1 1 4 4 ASN H H 4 9.081 9.081 8.668 0.413 17895 818 1 4 . 1 1 5 5 ASN N N 5 120.745 120.745 117.570 3.175 17895 819 1 4 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.531 0.898 17895 820 1 4 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.663 -0.307 17895 821 1 4 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.828 3.885 17895 822 1 4 . 1 1 5 5 ASN H H 5 9.369 9.369 8.136 1.233 17895 823 1 4 . 1 1 6 6 LEU N N 6 120.594 120.594 122.246 -1.652 17895 824 1 4 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.852 -0.086 17895 825 1 4 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.912 2.687 17895 826 1 4 . 1 1 6 6 LEU H H 6 8.538 8.538 8.602 -0.064 17895 827 1 4 . 1 1 7 7 LYS N N 7 118.177 118.177 118.627 -0.450 17895 828 1 4 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.934 -0.026 17895 829 1 4 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.374 1.932 17895 830 1 4 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.223 1.980 17895 831 1 4 . 1 1 7 7 LYS H H 7 8.940 8.940 7.881 1.059 17895 832 1 4 . 1 1 8 8 LEU N N 8 116.356 116.356 120.431 -4.075 17895 833 1 4 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.058 0.114 17895 834 1 4 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.821 1.469 17895 835 1 4 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.909 2.019 17895 836 1 4 . 1 1 8 8 LEU H H 8 7.687 7.687 7.437 0.250 17895 837 1 4 . 1 1 9 9 ILE N N 9 119.134 119.134 118.671 0.463 17895 838 1 4 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.501 0.312 17895 839 1 4 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.641 -1.782 17895 840 1 4 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.626 0.204 17895 841 1 4 . 1 1 9 9 ILE H H 9 8.225 8.225 7.391 0.834 17895 842 1 4 . 1 1 10 10 ARG N N 10 120.162 120.162 120.578 -0.416 17895 843 1 4 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.910 -0.031 17895 844 1 4 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.062 1.606 17895 845 1 4 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.328 -0.929 17895 846 1 4 . 1 1 10 10 ARG H H 10 9.259 9.259 8.856 0.403 17895 847 1 4 . 1 1 11 11 GLU N N 11 115.878 115.878 118.245 -2.367 17895 848 1 4 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.297 -0.125 17895 849 1 4 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.566 1.720 17895 850 1 4 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.101 0.713 17895 851 1 4 . 1 1 11 11 GLU H H 11 8.703 8.703 8.764 -0.061 17895 852 1 4 . 1 1 12 12 LYS N N 12 122.935 122.935 122.848 0.087 17895 853 1 4 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.009 0.197 17895 854 1 4 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.208 1.067 17895 855 1 4 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.532 0.366 17895 856 1 4 . 1 1 12 12 LYS H H 12 8.256 8.256 8.379 -0.123 17895 857 1 4 . 1 1 13 13 LYS N N 13 116.350 116.350 115.835 0.515 17895 858 1 4 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.377 -0.081 17895 859 1 4 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.852 0.079 17895 860 1 4 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.809 -0.359 17895 861 1 4 . 1 1 13 13 LYS H H 13 7.813 7.813 7.613 0.200 17895 862 1 4 . 1 1 14 14 LYS N N 14 115.317 115.317 116.092 -0.775 17895 863 1 4 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.995 -0.032 17895 864 1 4 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.630 1.159 17895 865 1 4 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.939 -0.891 17895 866 1 4 . 1 1 14 14 LYS H H 14 8.068 8.068 7.976 0.092 17895 867 1 4 . 1 1 15 15 ILE N N 15 118.373 118.373 120.359 -1.986 17895 868 1 4 . 1 1 15 15 ILE HA H 15 4.612 4.612 3.987 0.625 17895 869 1 4 . 1 1 15 15 ILE CA C 15 60.058 60.058 60.117 -0.059 17895 870 1 4 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.157 3.639 17895 871 1 4 . 1 1 15 15 ILE H H 15 7.573 7.573 8.620 -1.047 17895 872 1 4 . 1 1 16 16 SER N N 16 125.057 125.057 123.414 1.643 17895 873 1 4 . 1 1 16 16 SER HA H 16 4.566 4.566 4.464 0.102 17895 874 1 4 . 1 1 16 16 SER CA C 16 57.781 57.781 58.768 -0.987 17895 875 1 4 . 1 1 16 16 SER H H 16 9.457 9.457 8.402 1.055 17895 876 1 4 . 1 1 17 17 GLN N N 17 120.197 120.197 125.431 -5.234 17895 877 1 4 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.175 -0.397 17895 878 1 4 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.417 3.244 17895 879 1 4 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.366 1.295 17895 880 1 4 . 1 1 17 17 GLN H H 17 9.544 9.544 9.007 0.537 17895 881 1 4 . 1 1 18 18 SER N N 18 112.998 112.998 114.767 -1.769 17895 882 1 4 . 1 1 18 18 SER H H 18 8.985 8.985 8.659 0.326 17895 883 1 4 . 1 1 19 19 GLU N N 19 124.112 124.112 121.352 2.760 17895 884 1 4 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.086 0.020 17895 885 1 4 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.714 0.799 17895 886 1 4 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.908 1.531 17895 887 1 4 . 1 1 19 19 GLU H H 19 8.349 8.349 8.459 -0.110 17895 888 1 4 . 1 1 20 20 LEU N N 20 119.955 119.955 121.596 -1.641 17895 889 1 4 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.955 0.171 17895 890 1 4 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.665 0.727 17895 891 1 4 . 1 1 20 20 LEU H H 20 8.321 8.321 7.710 0.611 17895 892 1 4 . 1 1 21 21 ALA N N 21 119.830 119.830 120.852 -1.022 17895 893 1 4 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.914 -0.205 17895 894 1 4 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.041 1.231 17895 895 1 4 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.106 -0.371 17895 896 1 4 . 1 1 21 21 ALA H H 21 8.595 8.595 8.921 -0.326 17895 897 1 4 . 1 1 22 22 ALA N N 22 117.258 117.258 121.192 -3.934 17895 898 1 4 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.983 0.280 17895 899 1 4 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.702 0.807 17895 900 1 4 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.439 0.091 17895 901 1 4 . 1 1 22 22 ALA H H 22 7.818 7.818 7.445 0.373 17895 902 1 4 . 1 1 23 23 LEU N N 23 118.586 118.586 118.393 0.193 17895 903 1 4 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.630 0.330 17895 904 1 4 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.031 0.969 17895 905 1 4 . 1 1 23 23 LEU H H 23 7.537 7.537 7.684 -0.147 17895 906 1 4 . 1 1 24 24 LEU N N 24 114.488 114.488 115.661 -1.173 17895 907 1 4 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.092 0.171 17895 908 1 4 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.618 -0.924 17895 909 1 4 . 1 1 24 24 LEU H H 24 7.448 7.448 7.973 -0.525 17895 910 1 4 . 1 1 25 25 GLU N N 25 114.895 114.895 113.176 1.719 17895 911 1 4 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.984 -0.019 17895 912 1 4 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.145 0.903 17895 913 1 4 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.576 0.317 17895 914 1 4 . 1 1 25 25 GLU H H 25 8.028 8.028 7.942 0.086 17895 915 1 4 . 1 1 26 26 VAL N N 26 109.697 109.697 113.004 -3.307 17895 916 1 4 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.495 0.378 17895 917 1 4 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.493 -0.312 17895 918 1 4 . 1 1 26 26 VAL H H 26 7.990 7.990 7.790 0.200 17895 919 1 4 . 1 1 27 27 SER N N 27 114.369 114.369 115.827 -1.458 17895 920 1 4 . 1 1 27 27 SER HA H 27 4.643 4.643 4.530 0.113 17895 921 1 4 . 1 1 27 27 SER CA C 27 57.345 57.345 57.281 0.064 17895 922 1 4 . 1 1 27 27 SER CB C 27 63.110 63.110 64.363 -1.253 17895 923 1 4 . 1 1 27 27 SER H H 27 8.633 8.633 8.369 0.264 17895 924 1 4 . 1 1 28 28 ARG N N 28 115.276 115.276 125.820 -10.544 17895 925 1 4 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.931 -0.203 17895 926 1 4 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.339 0.419 17895 927 1 4 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.041 -0.091 17895 928 1 4 . 1 1 28 28 ARG H H 28 8.236 8.236 8.993 -0.757 17895 929 1 4 . 1 1 29 29 GLN N N 29 117.309 117.309 116.238 1.071 17895 930 1 4 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.056 0.097 17895 931 1 4 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.932 1.081 17895 932 1 4 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.809 0.659 17895 933 1 4 . 1 1 29 29 GLN H H 29 8.835 8.835 8.827 0.008 17895 934 1 4 . 1 1 30 30 THR N N 30 119.984 119.984 113.349 6.635 17895 935 1 4 . 1 1 30 30 THR HA H 30 4.418 4.418 4.041 0.377 17895 936 1 4 . 1 1 30 30 THR CA C 30 68.600 68.600 64.854 3.746 17895 937 1 4 . 1 1 30 30 THR CB C 30 67.556 67.556 68.847 -1.291 17895 938 1 4 . 1 1 30 30 THR H H 30 8.136 8.136 7.485 0.651 17895 939 1 4 . 1 1 31 31 ILE N N 31 118.828 118.828 121.838 -3.010 17895 940 1 4 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.831 -0.046 17895 941 1 4 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.146 -1.217 17895 942 1 4 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.269 -1.292 17895 943 1 4 . 1 1 31 31 ILE H H 31 7.162 7.162 7.701 -0.539 17895 944 1 4 . 1 1 32 32 ASN N N 32 118.028 118.028 116.772 1.256 17895 945 1 4 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.822 -0.492 17895 946 1 4 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.724 3.471 17895 947 1 4 . 1 1 32 32 ASN CB C 32 40.145 40.145 38.480 1.665 17895 948 1 4 . 1 1 32 32 ASN H H 32 8.668 8.668 8.582 0.086 17895 949 1 4 . 1 1 33 33 GLY N N 33 124.941 124.941 107.408 17.533 17895 950 1 4 . 1 1 33 33 GLY H H 33 8.656 8.656 7.415 1.241 17895 951 1 4 . 1 1 34 34 ILE N N 34 122.198 122.198 121.908 0.290 17895 952 1 4 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.910 0.374 17895 953 1 4 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.218 1.322 17895 954 1 4 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.028 1.158 17895 955 1 4 . 1 1 34 34 ILE H H 34 8.205 8.205 7.386 0.819 17895 956 1 4 . 1 1 35 35 GLU N N 35 120.651 120.651 115.958 4.693 17895 957 1 4 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.277 -0.064 17895 958 1 4 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.191 2.401 17895 959 1 4 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.358 0.394 17895 960 1 4 . 1 1 35 35 GLU H H 35 8.592 8.592 8.132 0.460 17895 961 1 4 . 1 1 36 36 LYS N N 36 115.995 115.995 118.850 -2.855 17895 962 1 4 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.138 0.364 17895 963 1 4 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.913 -1.629 17895 964 1 4 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.154 -0.314 17895 965 1 4 . 1 1 36 36 LYS H H 36 8.111 8.111 7.756 0.355 17895 966 1 4 . 1 1 37 37 ASN N N 37 114.563 114.563 110.784 3.779 17895 967 1 4 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.644 0.104 17895 968 1 4 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.582 2.106 17895 969 1 4 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.540 -1.736 17895 970 1 4 . 1 1 37 37 ASN H H 37 8.223 8.223 8.459 -0.236 17895 971 1 4 . 1 1 38 38 LYS N N 38 115.051 115.051 121.828 -6.777 17895 972 1 4 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.000 0.421 17895 973 1 4 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.847 1.149 17895 974 1 4 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.133 1.003 17895 975 1 4 . 1 1 38 38 LYS H H 38 8.734 8.734 8.177 0.557 17895 976 1 4 . 1 1 39 39 TYR N N 39 116.976 116.976 121.586 -4.610 17895 977 1 4 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.280 0.329 17895 978 1 4 . 1 1 39 39 TYR CA C 39 56.377 56.377 58.432 -2.055 17895 979 1 4 . 1 1 39 39 TYR H H 39 7.089 7.089 7.841 -0.752 17895 980 1 4 . 1 1 40 40 ASN N N 40 123.607 123.607 120.461 3.146 17895 981 1 4 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.985 0.391 17895 982 1 4 . 1 1 40 40 ASN H H 40 8.862 8.862 8.444 0.418 17895 983 1 4 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.480 -0.691 17895 984 1 4 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.556 0.914 17895 985 1 4 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.172 0.289 17895 986 1 4 . 1 1 42 42 SER N N 42 125.650 125.650 115.913 9.737 17895 987 1 4 . 1 1 42 42 SER HA H 42 4.556 4.556 4.322 0.234 17895 988 1 4 . 1 1 42 42 SER CA C 42 58.198 58.198 58.291 -0.093 17895 989 1 4 . 1 1 42 42 SER H H 42 8.056 8.056 8.149 -0.093 17895 990 1 4 . 1 1 43 43 LEU N N 43 120.689 120.689 123.685 -2.996 17895 991 1 4 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.972 -0.059 17895 992 1 4 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.520 0.724 17895 993 1 4 . 1 1 43 43 LEU H H 43 9.296 9.296 8.613 0.683 17895 994 1 4 . 1 1 44 44 GLN N N 44 115.960 115.960 120.074 -4.114 17895 995 1 4 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.121 -0.424 17895 996 1 4 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.917 1.955 17895 997 1 4 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.524 0.626 17895 998 1 4 . 1 1 44 44 GLN H H 44 8.915 8.915 8.480 0.435 17895 999 1 4 . 1 1 45 45 LEU N N 45 119.431 119.431 120.137 -0.706 17895 1000 1 4 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.142 -0.250 17895 1001 1 4 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.832 -2.308 17895 1002 1 4 . 1 1 45 45 LEU H H 45 8.093 8.093 8.099 -0.006 17895 1003 1 4 . 1 1 46 46 ALA N N 46 120.497 120.497 122.565 -2.068 17895 1004 1 4 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.136 -0.102 17895 1005 1 4 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.475 1.026 17895 1006 1 4 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.371 2.282 17895 1007 1 4 . 1 1 46 46 ALA H H 46 8.512 8.512 8.724 -0.212 17895 1008 1 4 . 1 1 47 47 LEU N N 47 116.461 116.461 118.993 -2.532 17895 1009 1 4 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.898 0.316 17895 1010 1 4 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.285 0.117 17895 1011 1 4 . 1 1 47 47 LEU H H 47 8.675 8.675 9.058 -0.383 17895 1012 1 4 . 1 1 48 48 LYS N N 48 120.970 120.970 120.306 0.664 17895 1013 1 4 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.181 -0.601 17895 1014 1 4 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.170 0.557 17895 1015 1 4 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.557 0.611 17895 1016 1 4 . 1 1 48 48 LYS H H 48 8.053 8.053 8.302 -0.249 17895 1017 1 4 . 1 1 49 49 ILE N N 49 120.407 120.407 120.531 -0.124 17895 1018 1 4 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.834 -0.236 17895 1019 1 4 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.256 2.846 17895 1020 1 4 . 1 1 49 49 ILE H H 49 8.783 8.783 8.553 0.230 17895 1021 1 4 . 1 1 50 50 ALA N N 50 120.445 120.445 123.833 -3.388 17895 1022 1 4 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.161 -0.091 17895 1023 1 4 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.234 1.165 17895 1024 1 4 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.378 0.527 17895 1025 1 4 . 1 1 50 50 ALA H H 50 8.182 8.182 8.732 -0.550 17895 1026 1 4 . 1 1 51 51 TYR N N 51 117.070 117.070 120.315 -3.245 17895 1027 1 4 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.014 0.339 17895 1028 1 4 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.830 0.523 17895 1029 1 4 . 1 1 51 51 TYR H H 51 8.170 8.170 8.626 -0.456 17895 1030 1 4 . 1 1 52 52 TYR N N 52 118.548 118.548 116.101 2.447 17895 1031 1 4 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.040 0.264 17895 1032 1 4 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.414 2.394 17895 1033 1 4 . 1 1 52 52 TYR H H 52 9.079 9.079 8.528 0.551 17895 1034 1 4 . 1 1 53 53 LEU N N 53 115.427 115.427 118.385 -2.958 17895 1035 1 4 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.127 0.409 17895 1036 1 4 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.427 -1.383 17895 1037 1 4 . 1 1 53 53 LEU H H 53 8.417 8.417 8.772 -0.355 17895 1038 1 4 . 1 1 54 54 ASN N N 54 122.105 122.105 114.292 7.813 17895 1039 1 4 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.351 0.098 17895 1040 1 4 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.647 1.044 17895 1041 1 4 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.719 1.912 17895 1042 1 4 . 1 1 54 54 ASN H H 54 8.090 8.090 8.464 -0.374 17895 1043 1 4 . 1 1 55 55 THR N N 55 114.929 114.929 113.154 1.775 17895 1044 1 4 . 1 1 55 55 THR HA H 55 4.933 4.933 4.776 0.157 17895 1045 1 4 . 1 1 55 55 THR CA C 55 60.962 60.962 60.751 0.211 17895 1046 1 4 . 1 1 55 55 THR CB C 55 75.743 75.743 71.852 3.891 17895 1047 1 4 . 1 1 55 55 THR H H 55 8.255 8.255 8.247 0.008 17895 1048 1 4 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.592 0.004 17895 1049 1 4 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.586 1.018 17895 1050 1 4 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.589 0.330 17895 1051 1 4 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.165 -0.095 17895 1052 1 4 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.108 2.514 17895 1053 1 4 . 1 1 58 58 GLU N N 58 123.143 123.143 117.850 5.293 17895 1054 1 4 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.303 1.571 17895 1055 1 4 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.337 0.163 17895 1056 1 4 . 1 1 58 58 GLU H H 58 9.365 9.365 8.694 0.671 17895 1057 1 4 . 1 1 59 59 ASP N N 59 117.681 117.681 118.342 -0.661 17895 1058 1 4 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.315 0.308 17895 1059 1 4 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.681 -0.219 17895 1060 1 4 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.585 0.306 17895 1061 1 4 . 1 1 59 59 ASP H H 59 8.014 8.014 7.401 0.613 17895 1062 1 4 . 1 1 60 60 ILE N N 60 119.519 119.519 114.938 4.581 17895 1063 1 4 . 1 1 60 60 ILE H H 60 8.209 8.209 7.299 0.910 17895 1064 1 4 . 1 1 61 61 PHE N N 61 115.960 115.960 115.590 0.370 17895 1065 1 4 . 1 1 61 61 PHE H H 61 8.532 8.532 8.163 0.369 17895 1066 1 4 . 1 1 62 62 GLN N N 62 116.724 116.724 121.892 -5.168 17895 1067 1 4 . 1 1 62 62 GLN H H 62 8.752 8.752 8.114 0.638 17895 1068 1 4 . 1 1 63 63 TRP N N 63 125.611 125.611 122.308 3.303 17895 1069 1 4 . 1 1 63 63 TRP H H 63 9.476 9.476 7.275 2.201 17895 1070 1 4 . 1 1 64 64 GLN N N 64 127.087 127.087 121.608 5.479 17895 1071 1 4 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.813 -0.634 17895 1072 1 4 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.757 -0.355 17895 1073 1 4 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.182 2.391 17895 1074 1 4 . 1 1 64 64 GLN H H 64 7.989 7.989 9.501 -1.512 17895 1075 1 4 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.532 0.150 17895 1076 1 4 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.167 -0.653 17895 1077 1 5 . 1 1 2 2 ILE N N 2 123.202 123.202 116.152 7.050 17895 1078 1 5 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.926 1.106 17895 1079 1 5 . 1 1 2 2 ILE H H 2 9.148 9.148 7.426 1.722 17895 1080 1 5 . 1 1 3 3 ILE N N 3 108.681 108.681 118.800 -10.119 17895 1081 1 5 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.633 0.797 17895 1082 1 5 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.899 -1.988 17895 1083 1 5 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.158 3.397 17895 1084 1 5 . 1 1 3 3 ILE H H 3 9.416 9.416 8.276 1.140 17895 1085 1 5 . 1 1 4 4 ASN N N 4 123.966 123.966 115.491 8.475 17895 1086 1 5 . 1 1 4 4 ASN H H 4 9.081 9.081 8.794 0.287 17895 1087 1 5 . 1 1 5 5 ASN N N 5 120.745 120.745 114.791 5.954 17895 1088 1 5 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.549 0.880 17895 1089 1 5 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.450 -0.094 17895 1090 1 5 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.647 3.066 17895 1091 1 5 . 1 1 5 5 ASN H H 5 9.369 9.369 7.805 1.564 17895 1092 1 5 . 1 1 6 6 LEU N N 6 120.594 120.594 122.407 -1.813 17895 1093 1 5 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.863 -0.097 17895 1094 1 5 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.168 2.431 17895 1095 1 5 . 1 1 6 6 LEU H H 6 8.538 8.538 7.927 0.611 17895 1096 1 5 . 1 1 7 7 LYS N N 7 118.177 118.177 118.504 -0.327 17895 1097 1 5 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.948 -0.040 17895 1098 1 5 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.335 1.971 17895 1099 1 5 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.110 2.093 17895 1100 1 5 . 1 1 7 7 LYS H H 7 8.940 8.940 7.652 1.288 17895 1101 1 5 . 1 1 8 8 LEU N N 8 116.356 116.356 120.274 -3.918 17895 1102 1 5 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.075 0.097 17895 1103 1 5 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.795 1.495 17895 1104 1 5 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.866 2.062 17895 1105 1 5 . 1 1 8 8 LEU H H 8 7.687 7.687 7.451 0.236 17895 1106 1 5 . 1 1 9 9 ILE N N 9 119.134 119.134 118.581 0.553 17895 1107 1 5 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.546 0.267 17895 1108 1 5 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.658 -1.800 17895 1109 1 5 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.696 0.134 17895 1110 1 5 . 1 1 9 9 ILE H H 9 8.225 8.225 7.376 0.849 17895 1111 1 5 . 1 1 10 10 ARG N N 10 120.162 120.162 121.097 -0.935 17895 1112 1 5 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.931 -0.052 17895 1113 1 5 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.439 2.229 17895 1114 1 5 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.192 -0.792 17895 1115 1 5 . 1 1 10 10 ARG H H 10 9.259 9.259 8.620 0.639 17895 1116 1 5 . 1 1 11 11 GLU N N 11 115.878 115.878 119.110 -3.232 17895 1117 1 5 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.081 0.091 17895 1118 1 5 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.112 1.174 17895 1119 1 5 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.830 0.984 17895 1120 1 5 . 1 1 11 11 GLU H H 11 8.703 8.703 9.030 -0.327 17895 1121 1 5 . 1 1 12 12 LYS N N 12 122.935 122.935 121.862 1.073 17895 1122 1 5 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.963 0.243 17895 1123 1 5 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.435 0.840 17895 1124 1 5 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.581 0.317 17895 1125 1 5 . 1 1 12 12 LYS H H 12 8.256 8.256 8.107 0.149 17895 1126 1 5 . 1 1 13 13 LYS N N 13 116.350 116.350 114.272 2.078 17895 1127 1 5 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.296 -0.000 17895 1128 1 5 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.005 -0.074 17895 1129 1 5 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.526 -0.077 17895 1130 1 5 . 1 1 13 13 LYS H H 13 7.813 7.813 7.529 0.284 17895 1131 1 5 . 1 1 14 14 LYS N N 14 115.317 115.317 116.225 -0.908 17895 1132 1 5 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.982 -0.019 17895 1133 1 5 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.777 1.011 17895 1134 1 5 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.732 -0.684 17895 1135 1 5 . 1 1 14 14 LYS H H 14 8.068 8.068 7.561 0.507 17895 1136 1 5 . 1 1 15 15 ILE N N 15 118.373 118.373 121.222 -2.849 17895 1137 1 5 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.304 0.308 17895 1138 1 5 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.582 0.476 17895 1139 1 5 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.749 3.047 17895 1140 1 5 . 1 1 15 15 ILE H H 15 7.573 7.573 8.252 -0.679 17895 1141 1 5 . 1 1 16 16 SER N N 16 125.057 125.057 123.426 1.631 17895 1142 1 5 . 1 1 16 16 SER HA H 16 4.566 4.566 4.602 -0.036 17895 1143 1 5 . 1 1 16 16 SER CA C 16 57.781 57.781 58.339 -0.558 17895 1144 1 5 . 1 1 16 16 SER H H 16 9.457 9.457 9.528 -0.071 17895 1145 1 5 . 1 1 17 17 GLN N N 17 120.197 120.197 121.313 -1.116 17895 1146 1 5 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.114 -0.336 17895 1147 1 5 . 1 1 17 17 GLN CA C 17 62.662 62.662 58.909 3.753 17895 1148 1 5 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.475 1.186 17895 1149 1 5 . 1 1 17 17 GLN H H 17 9.544 9.544 8.902 0.642 17895 1150 1 5 . 1 1 18 18 SER N N 18 112.998 112.998 115.253 -2.255 17895 1151 1 5 . 1 1 18 18 SER H H 18 8.985 8.985 7.849 1.136 17895 1152 1 5 . 1 1 19 19 GLU N N 19 124.112 124.112 121.238 2.874 17895 1153 1 5 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.069 0.037 17895 1154 1 5 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.024 0.489 17895 1155 1 5 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.171 1.268 17895 1156 1 5 . 1 1 19 19 GLU H H 19 8.349 8.349 7.641 0.708 17895 1157 1 5 . 1 1 20 20 LEU N N 20 119.955 119.955 118.467 1.488 17895 1158 1 5 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.068 0.058 17895 1159 1 5 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.003 1.389 17895 1160 1 5 . 1 1 20 20 LEU H H 20 8.321 8.321 7.439 0.882 17895 1161 1 5 . 1 1 21 21 ALA N N 21 119.830 119.830 122.574 -2.744 17895 1162 1 5 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.862 -0.153 17895 1163 1 5 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.266 1.006 17895 1164 1 5 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.817 -0.082 17895 1165 1 5 . 1 1 21 21 ALA H H 21 8.595 8.595 7.928 0.667 17895 1166 1 5 . 1 1 22 22 ALA N N 22 117.258 117.258 121.005 -3.747 17895 1167 1 5 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.992 0.271 17895 1168 1 5 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.594 0.915 17895 1169 1 5 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.444 0.086 17895 1170 1 5 . 1 1 22 22 ALA H H 22 7.818 7.818 7.437 0.381 17895 1171 1 5 . 1 1 23 23 LEU N N 23 118.586 118.586 118.272 0.314 17895 1172 1 5 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.653 0.307 17895 1173 1 5 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.081 0.918 17895 1174 1 5 . 1 1 23 23 LEU H H 23 7.537 7.537 7.667 -0.130 17895 1175 1 5 . 1 1 24 24 LEU N N 24 114.488 114.488 114.620 -0.132 17895 1176 1 5 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.073 0.190 17895 1177 1 5 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.067 -0.373 17895 1178 1 5 . 1 1 24 24 LEU H H 24 7.448 7.448 8.077 -0.629 17895 1179 1 5 . 1 1 25 25 GLU N N 25 114.895 114.895 112.674 2.221 17895 1180 1 5 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.965 -0.000 17895 1181 1 5 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.060 0.988 17895 1182 1 5 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.485 0.408 17895 1183 1 5 . 1 1 25 25 GLU H H 25 8.028 8.028 7.675 0.353 17895 1184 1 5 . 1 1 26 26 VAL N N 26 109.697 109.697 112.053 -2.356 17895 1185 1 5 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.448 0.425 17895 1186 1 5 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.588 -0.407 17895 1187 1 5 . 1 1 26 26 VAL H H 26 7.990 7.990 7.746 0.244 17895 1188 1 5 . 1 1 27 27 SER N N 27 114.369 114.369 115.375 -1.006 17895 1189 1 5 . 1 1 27 27 SER HA H 27 4.643 4.643 4.499 0.144 17895 1190 1 5 . 1 1 27 27 SER CA C 27 57.345 57.345 57.913 -0.568 17895 1191 1 5 . 1 1 27 27 SER CB C 27 63.110 63.110 64.323 -1.213 17895 1192 1 5 . 1 1 27 27 SER H H 27 8.633 8.633 8.388 0.245 17895 1193 1 5 . 1 1 28 28 ARG N N 28 115.276 115.276 126.181 -10.905 17895 1194 1 5 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.925 -0.197 17895 1195 1 5 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.177 0.581 17895 1196 1 5 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.108 -0.158 17895 1197 1 5 . 1 1 28 28 ARG H H 28 8.236 8.236 9.060 -0.824 17895 1198 1 5 . 1 1 29 29 GLN N N 29 117.309 117.309 117.455 -0.146 17895 1199 1 5 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.155 -0.002 17895 1200 1 5 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.897 1.116 17895 1201 1 5 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.687 0.781 17895 1202 1 5 . 1 1 29 29 GLN H H 29 8.835 8.835 8.743 0.092 17895 1203 1 5 . 1 1 30 30 THR N N 30 119.984 119.984 115.446 4.538 17895 1204 1 5 . 1 1 30 30 THR HA H 30 4.418 4.418 4.076 0.342 17895 1205 1 5 . 1 1 30 30 THR CA C 30 68.600 68.600 66.802 1.798 17895 1206 1 5 . 1 1 30 30 THR CB C 30 67.556 67.556 68.598 -1.042 17895 1207 1 5 . 1 1 30 30 THR H H 30 8.136 8.136 7.796 0.340 17895 1208 1 5 . 1 1 31 31 ILE N N 31 118.828 118.828 121.325 -2.497 17895 1209 1 5 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.802 -0.017 17895 1210 1 5 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.656 -1.726 17895 1211 1 5 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.113 -1.136 17895 1212 1 5 . 1 1 31 31 ILE H H 31 7.162 7.162 7.812 -0.650 17895 1213 1 5 . 1 1 32 32 ASN N N 32 118.028 118.028 116.416 1.612 17895 1214 1 5 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.637 -0.307 17895 1215 1 5 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.915 3.280 17895 1216 1 5 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.818 2.327 17895 1217 1 5 . 1 1 32 32 ASN H H 32 8.668 8.668 8.745 -0.077 17895 1218 1 5 . 1 1 33 33 GLY N N 33 124.941 124.941 109.395 15.546 17895 1219 1 5 . 1 1 33 33 GLY H H 33 8.656 8.656 7.792 0.864 17895 1220 1 5 . 1 1 34 34 ILE N N 34 122.198 122.198 122.775 -0.577 17895 1221 1 5 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.758 0.526 17895 1222 1 5 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.455 1.085 17895 1223 1 5 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.071 1.115 17895 1224 1 5 . 1 1 34 34 ILE H H 34 8.205 8.205 7.866 0.339 17895 1225 1 5 . 1 1 35 35 GLU N N 35 120.651 120.651 117.401 3.250 17895 1226 1 5 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.258 -0.045 17895 1227 1 5 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.836 1.756 17895 1228 1 5 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.259 0.493 17895 1229 1 5 . 1 1 35 35 GLU H H 35 8.592 8.592 7.756 0.836 17895 1230 1 5 . 1 1 36 36 LYS N N 36 115.995 115.995 119.102 -3.107 17895 1231 1 5 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.036 0.466 17895 1232 1 5 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.230 -1.946 17895 1233 1 5 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.623 0.216 17895 1234 1 5 . 1 1 36 36 LYS H H 36 8.111 8.111 7.885 0.226 17895 1235 1 5 . 1 1 37 37 ASN N N 37 114.563 114.563 110.065 4.498 17895 1236 1 5 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.567 0.181 17895 1237 1 5 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.279 2.409 17895 1238 1 5 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.156 -1.352 17895 1239 1 5 . 1 1 37 37 ASN H H 37 8.223 8.223 8.086 0.137 17895 1240 1 5 . 1 1 38 38 LYS N N 38 115.051 115.051 122.345 -7.294 17895 1241 1 5 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.842 0.579 17895 1242 1 5 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.191 0.805 17895 1243 1 5 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.009 1.127 17895 1244 1 5 . 1 1 38 38 LYS H H 38 8.734 8.734 7.719 1.015 17895 1245 1 5 . 1 1 39 39 TYR N N 39 116.976 116.976 118.634 -1.658 17895 1246 1 5 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.206 0.403 17895 1247 1 5 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.659 -1.282 17895 1248 1 5 . 1 1 39 39 TYR H H 39 7.089 7.089 7.610 -0.521 17895 1249 1 5 . 1 1 40 40 ASN N N 40 123.607 123.607 120.263 3.344 17895 1250 1 5 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.004 0.372 17895 1251 1 5 . 1 1 40 40 ASN H H 40 8.862 8.862 8.364 0.498 17895 1252 1 5 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.352 -0.563 17895 1253 1 5 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.380 1.090 17895 1254 1 5 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.288 0.173 17895 1255 1 5 . 1 1 42 42 SER N N 42 125.650 125.650 115.392 10.258 17895 1256 1 5 . 1 1 42 42 SER HA H 42 4.556 4.556 4.226 0.330 17895 1257 1 5 . 1 1 42 42 SER CA C 42 58.198 58.198 58.708 -0.510 17895 1258 1 5 . 1 1 42 42 SER H H 42 8.056 8.056 8.124 -0.068 17895 1259 1 5 . 1 1 43 43 LEU N N 43 120.689 120.689 124.239 -3.550 17895 1260 1 5 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.926 -0.013 17895 1261 1 5 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.694 0.551 17895 1262 1 5 . 1 1 43 43 LEU H H 43 9.296 9.296 8.726 0.570 17895 1263 1 5 . 1 1 44 44 GLN N N 44 115.960 115.960 120.016 -4.056 17895 1264 1 5 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.102 -0.405 17895 1265 1 5 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.902 1.970 17895 1266 1 5 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.513 0.637 17895 1267 1 5 . 1 1 44 44 GLN H H 44 8.915 8.915 8.453 0.462 17895 1268 1 5 . 1 1 45 45 LEU N N 45 119.431 119.431 120.224 -0.793 17895 1269 1 5 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.083 -0.191 17895 1270 1 5 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.735 -2.211 17895 1271 1 5 . 1 1 45 45 LEU H H 45 8.093 8.093 8.051 0.042 17895 1272 1 5 . 1 1 46 46 ALA N N 46 120.497 120.497 122.521 -2.024 17895 1273 1 5 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.978 0.056 17895 1274 1 5 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.389 1.111 17895 1275 1 5 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.236 2.417 17895 1276 1 5 . 1 1 46 46 ALA H H 46 8.512 8.512 8.712 -0.200 17895 1277 1 5 . 1 1 47 47 LEU N N 47 116.461 116.461 118.993 -2.532 17895 1278 1 5 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.877 0.337 17895 1279 1 5 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.259 0.142 17895 1280 1 5 . 1 1 47 47 LEU H H 47 8.675 8.675 8.962 -0.287 17895 1281 1 5 . 1 1 48 48 LYS N N 48 120.970 120.970 120.298 0.672 17895 1282 1 5 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.199 -0.619 17895 1283 1 5 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.087 0.640 17895 1284 1 5 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.496 0.672 17895 1285 1 5 . 1 1 48 48 LYS H H 48 8.053 8.053 8.235 -0.182 17895 1286 1 5 . 1 1 49 49 ILE N N 49 120.407 120.407 120.720 -0.313 17895 1287 1 5 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.789 -0.191 17895 1288 1 5 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.191 2.911 17895 1289 1 5 . 1 1 49 49 ILE H H 49 8.783 8.783 8.577 0.206 17895 1290 1 5 . 1 1 50 50 ALA N N 50 120.445 120.445 123.091 -2.646 17895 1291 1 5 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.077 -0.007 17895 1292 1 5 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.291 1.109 17895 1293 1 5 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.262 0.644 17895 1294 1 5 . 1 1 50 50 ALA H H 50 8.182 8.182 8.853 -0.671 17895 1295 1 5 . 1 1 51 51 TYR N N 51 117.070 117.070 120.187 -3.117 17895 1296 1 5 . 1 1 51 51 TYR HA H 51 4.353 4.353 3.999 0.354 17895 1297 1 5 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.218 0.135 17895 1298 1 5 . 1 1 51 51 TYR H H 51 8.170 8.170 8.769 -0.599 17895 1299 1 5 . 1 1 52 52 TYR N N 52 118.548 118.548 116.133 2.415 17895 1300 1 5 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.184 0.120 17895 1301 1 5 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.492 2.316 17895 1302 1 5 . 1 1 52 52 TYR H H 52 9.079 9.079 8.468 0.611 17895 1303 1 5 . 1 1 53 53 LEU N N 53 115.427 115.427 117.982 -2.555 17895 1304 1 5 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.154 0.382 17895 1305 1 5 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.242 -1.198 17895 1306 1 5 . 1 1 53 53 LEU H H 53 8.417 8.417 8.537 -0.120 17895 1307 1 5 . 1 1 54 54 ASN N N 54 122.105 122.105 115.071 7.034 17895 1308 1 5 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.338 0.111 17895 1309 1 5 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.367 1.324 17895 1310 1 5 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.771 1.860 17895 1311 1 5 . 1 1 54 54 ASN H H 54 8.090 8.090 8.456 -0.366 17895 1312 1 5 . 1 1 55 55 THR N N 55 114.929 114.929 114.670 0.259 17895 1313 1 5 . 1 1 55 55 THR HA H 55 4.933 4.933 4.608 0.325 17895 1314 1 5 . 1 1 55 55 THR CA C 55 60.962 60.962 59.770 1.192 17895 1315 1 5 . 1 1 55 55 THR CB C 55 75.743 75.743 71.078 4.665 17895 1316 1 5 . 1 1 55 55 THR H H 55 8.255 8.255 8.093 0.162 17895 1317 1 5 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.582 0.014 17895 1318 1 5 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.320 1.284 17895 1319 1 5 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.338 0.581 17895 1320 1 5 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.136 -0.066 17895 1321 1 5 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.370 2.252 17895 1322 1 5 . 1 1 58 58 GLU N N 58 123.143 123.143 117.368 5.775 17895 1323 1 5 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.396 0.478 17895 1324 1 5 . 1 1 58 58 GLU CA C 58 59.499 59.499 58.473 1.026 17895 1325 1 5 . 1 1 58 58 GLU H H 58 9.365 9.365 8.479 0.886 17895 1326 1 5 . 1 1 59 59 ASP N N 59 117.681 117.681 117.881 -0.200 17895 1327 1 5 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.424 0.199 17895 1328 1 5 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.387 0.075 17895 1329 1 5 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.654 0.237 17895 1330 1 5 . 1 1 59 59 ASP H H 59 8.014 8.014 8.006 0.008 17895 1331 1 5 . 1 1 60 60 ILE N N 60 119.519 119.519 112.134 7.385 17895 1332 1 5 . 1 1 60 60 ILE H H 60 8.209 8.209 7.325 0.884 17895 1333 1 5 . 1 1 61 61 PHE N N 61 115.960 115.960 117.608 -1.648 17895 1334 1 5 . 1 1 61 61 PHE H H 61 8.532 8.532 8.271 0.261 17895 1335 1 5 . 1 1 62 62 GLN N N 62 116.724 116.724 119.712 -2.988 17895 1336 1 5 . 1 1 62 62 GLN H H 62 8.752 8.752 8.122 0.630 17895 1337 1 5 . 1 1 63 63 TRP N N 63 125.611 125.611 121.076 4.535 17895 1338 1 5 . 1 1 63 63 TRP H H 63 9.476 9.476 8.703 0.773 17895 1339 1 5 . 1 1 64 64 GLN N N 64 127.087 127.087 114.776 12.311 17895 1340 1 5 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.237 -0.058 17895 1341 1 5 . 1 1 64 64 GLN CA C 64 52.402 52.402 56.461 -4.059 17895 1342 1 5 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.272 5.301 17895 1343 1 5 . 1 1 64 64 GLN H H 64 7.989 7.989 8.411 -0.422 17895 1344 1 5 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.360 0.322 17895 1345 1 5 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.169 -1.655 17895 1346 1 6 . 1 1 2 2 ILE N N 2 123.202 123.202 121.963 1.239 17895 1347 1 6 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.478 0.554 17895 1348 1 6 . 1 1 2 2 ILE H H 2 9.148 9.148 7.613 1.535 17895 1349 1 6 . 1 1 3 3 ILE N N 3 108.681 108.681 127.641 -18.960 17895 1350 1 6 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.293 0.137 17895 1351 1 6 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.228 1.683 17895 1352 1 6 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.524 2.031 17895 1353 1 6 . 1 1 3 3 ILE H H 3 9.416 9.416 9.106 0.310 17895 1354 1 6 . 1 1 4 4 ASN N N 4 123.966 123.966 125.621 -1.655 17895 1355 1 6 . 1 1 4 4 ASN H H 4 9.081 9.081 9.073 0.008 17895 1356 1 6 . 1 1 5 5 ASN N N 5 120.745 120.745 117.831 2.914 17895 1357 1 6 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.448 0.981 17895 1358 1 6 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.314 -0.958 17895 1359 1 6 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.953 3.760 17895 1360 1 6 . 1 1 5 5 ASN H H 5 9.369 9.369 7.578 1.791 17895 1361 1 6 . 1 1 6 6 LEU N N 6 120.594 120.594 122.531 -1.937 17895 1362 1 6 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.751 0.015 17895 1363 1 6 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.862 2.737 17895 1364 1 6 . 1 1 6 6 LEU H H 6 8.538 8.538 8.147 0.391 17895 1365 1 6 . 1 1 7 7 LYS N N 7 118.177 118.177 118.270 -0.093 17895 1366 1 6 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.100 -0.192 17895 1367 1 6 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.025 2.281 17895 1368 1 6 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.988 2.215 17895 1369 1 6 . 1 1 7 7 LYS H H 7 8.940 8.940 7.692 1.248 17895 1370 1 6 . 1 1 8 8 LEU N N 8 116.356 116.356 120.245 -3.889 17895 1371 1 6 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.084 0.088 17895 1372 1 6 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.442 0.848 17895 1373 1 6 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.354 2.574 17895 1374 1 6 . 1 1 8 8 LEU H H 8 7.687 7.687 7.542 0.145 17895 1375 1 6 . 1 1 9 9 ILE N N 9 119.134 119.134 119.075 0.059 17895 1376 1 6 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.657 0.156 17895 1377 1 6 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.897 -1.039 17895 1378 1 6 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.459 0.371 17895 1379 1 6 . 1 1 9 9 ILE H H 9 8.225 8.225 7.247 0.978 17895 1380 1 6 . 1 1 10 10 ARG N N 10 120.162 120.162 120.577 -0.415 17895 1381 1 6 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.886 -0.007 17895 1382 1 6 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.130 1.538 17895 1383 1 6 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.286 -0.887 17895 1384 1 6 . 1 1 10 10 ARG H H 10 9.259 9.259 8.796 0.463 17895 1385 1 6 . 1 1 11 11 GLU N N 11 115.878 115.878 119.606 -3.728 17895 1386 1 6 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.109 0.063 17895 1387 1 6 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.344 0.942 17895 1388 1 6 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.762 1.052 17895 1389 1 6 . 1 1 11 11 GLU H H 11 8.703 8.703 8.886 -0.183 17895 1390 1 6 . 1 1 12 12 LYS N N 12 122.935 122.935 121.511 1.424 17895 1391 1 6 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.976 0.230 17895 1392 1 6 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.214 1.061 17895 1393 1 6 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.615 0.283 17895 1394 1 6 . 1 1 12 12 LYS H H 12 8.256 8.256 8.254 0.002 17895 1395 1 6 . 1 1 13 13 LYS N N 13 116.350 116.350 114.609 1.741 17895 1396 1 6 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.359 -0.063 17895 1397 1 6 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.775 0.156 17895 1398 1 6 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.708 -0.259 17895 1399 1 6 . 1 1 13 13 LYS H H 13 7.813 7.813 7.712 0.101 17895 1400 1 6 . 1 1 14 14 LYS N N 14 115.317 115.317 116.421 -1.104 17895 1401 1 6 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.976 -0.013 17895 1402 1 6 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.696 1.093 17895 1403 1 6 . 1 1 14 14 LYS CB C 14 29.048 29.048 30.059 -1.011 17895 1404 1 6 . 1 1 14 14 LYS H H 14 8.068 8.068 7.393 0.675 17895 1405 1 6 . 1 1 15 15 ILE N N 15 118.373 118.373 121.840 -3.467 17895 1406 1 6 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.222 0.390 17895 1407 1 6 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.619 0.439 17895 1408 1 6 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.045 3.751 17895 1409 1 6 . 1 1 15 15 ILE H H 15 7.573 7.573 8.736 -1.163 17895 1410 1 6 . 1 1 16 16 SER N N 16 125.057 125.057 125.312 -0.255 17895 1411 1 6 . 1 1 16 16 SER HA H 16 4.566 4.566 4.478 0.088 17895 1412 1 6 . 1 1 16 16 SER CA C 16 57.781 57.781 58.111 -0.330 17895 1413 1 6 . 1 1 16 16 SER H H 16 9.457 9.457 9.446 0.011 17895 1414 1 6 . 1 1 17 17 GLN N N 17 120.197 120.197 122.249 -2.052 17895 1415 1 6 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.084 -0.306 17895 1416 1 6 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.133 2.529 17895 1417 1 6 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.326 1.335 17895 1418 1 6 . 1 1 17 17 GLN H H 17 9.544 9.544 9.032 0.512 17895 1419 1 6 . 1 1 18 18 SER N N 18 112.998 112.998 114.366 -1.368 17895 1420 1 6 . 1 1 18 18 SER H H 18 8.985 8.985 8.718 0.267 17895 1421 1 6 . 1 1 19 19 GLU N N 19 124.112 124.112 121.728 2.384 17895 1422 1 6 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.014 0.092 17895 1423 1 6 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.667 0.846 17895 1424 1 6 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.189 1.250 17895 1425 1 6 . 1 1 19 19 GLU H H 19 8.349 8.349 7.711 0.638 17895 1426 1 6 . 1 1 20 20 LEU N N 20 119.955 119.955 121.454 -1.499 17895 1427 1 6 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.969 0.157 17895 1428 1 6 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.715 0.677 17895 1429 1 6 . 1 1 20 20 LEU H H 20 8.321 8.321 7.662 0.659 17895 1430 1 6 . 1 1 21 21 ALA N N 21 119.830 119.830 121.263 -1.433 17895 1431 1 6 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.875 -0.166 17895 1432 1 6 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.048 1.224 17895 1433 1 6 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.114 -0.379 17895 1434 1 6 . 1 1 21 21 ALA H H 21 8.595 8.595 8.862 -0.267 17895 1435 1 6 . 1 1 22 22 ALA N N 22 117.258 117.258 120.746 -3.488 17895 1436 1 6 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.964 0.299 17895 1437 1 6 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.677 0.832 17895 1438 1 6 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.499 0.031 17895 1439 1 6 . 1 1 22 22 ALA H H 22 7.818 7.818 7.768 0.050 17895 1440 1 6 . 1 1 23 23 LEU N N 23 118.586 118.586 118.193 0.393 17895 1441 1 6 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.526 0.434 17895 1442 1 6 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.859 1.141 17895 1443 1 6 . 1 1 23 23 LEU H H 23 7.537 7.537 7.493 0.044 17895 1444 1 6 . 1 1 24 24 LEU N N 24 114.488 114.488 114.482 0.006 17895 1445 1 6 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.124 0.139 17895 1446 1 6 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.911 -0.217 17895 1447 1 6 . 1 1 24 24 LEU H H 24 7.448 7.448 7.910 -0.462 17895 1448 1 6 . 1 1 25 25 GLU N N 25 114.895 114.895 112.978 1.917 17895 1449 1 6 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.014 -0.049 17895 1450 1 6 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.234 0.814 17895 1451 1 6 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.113 -0.220 17895 1452 1 6 . 1 1 25 25 GLU H H 25 8.028 8.028 7.949 0.079 17895 1453 1 6 . 1 1 26 26 VAL N N 26 109.697 109.697 113.964 -4.267 17895 1454 1 6 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.476 0.397 17895 1455 1 6 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.526 -0.345 17895 1456 1 6 . 1 1 26 26 VAL H H 26 7.990 7.990 7.631 0.359 17895 1457 1 6 . 1 1 27 27 SER N N 27 114.369 114.369 115.995 -1.626 17895 1458 1 6 . 1 1 27 27 SER HA H 27 4.643 4.643 4.405 0.238 17895 1459 1 6 . 1 1 27 27 SER CA C 27 57.345 57.345 58.586 -1.241 17895 1460 1 6 . 1 1 27 27 SER CB C 27 63.110 63.110 64.357 -1.247 17895 1461 1 6 . 1 1 27 27 SER H H 27 8.633 8.633 8.476 0.157 17895 1462 1 6 . 1 1 28 28 ARG N N 28 115.276 115.276 125.187 -9.911 17895 1463 1 6 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.968 -0.240 17895 1464 1 6 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.283 0.474 17895 1465 1 6 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.994 -0.044 17895 1466 1 6 . 1 1 28 28 ARG H H 28 8.236 8.236 9.039 -0.803 17895 1467 1 6 . 1 1 29 29 GLN N N 29 117.309 117.309 117.865 -0.556 17895 1468 1 6 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.305 -0.152 17895 1469 1 6 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.069 0.944 17895 1470 1 6 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.376 1.092 17895 1471 1 6 . 1 1 29 29 GLN H H 29 8.835 8.835 8.864 -0.029 17895 1472 1 6 . 1 1 30 30 THR N N 30 119.984 119.984 116.895 3.089 17895 1473 1 6 . 1 1 30 30 THR HA H 30 4.418 4.418 4.124 0.294 17895 1474 1 6 . 1 1 30 30 THR CA C 30 68.600 68.600 66.470 2.130 17895 1475 1 6 . 1 1 30 30 THR CB C 30 67.556 67.556 68.533 -0.977 17895 1476 1 6 . 1 1 30 30 THR H H 30 8.136 8.136 7.833 0.303 17895 1477 1 6 . 1 1 31 31 ILE N N 31 118.828 118.828 121.849 -3.021 17895 1478 1 6 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.797 -0.012 17895 1479 1 6 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.989 -2.060 17895 1480 1 6 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.834 -0.857 17895 1481 1 6 . 1 1 31 31 ILE H H 31 7.162 7.162 8.252 -1.090 17895 1482 1 6 . 1 1 32 32 ASN N N 32 118.028 118.028 117.981 0.047 17895 1483 1 6 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.807 -0.477 17895 1484 1 6 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.200 2.995 17895 1485 1 6 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.683 2.462 17895 1486 1 6 . 1 1 32 32 ASN H H 32 8.668 8.668 9.054 -0.386 17895 1487 1 6 . 1 1 33 33 GLY N N 33 124.941 124.941 109.801 15.140 17895 1488 1 6 . 1 1 33 33 GLY H H 33 8.656 8.656 8.009 0.647 17895 1489 1 6 . 1 1 34 34 ILE N N 34 122.198 122.198 123.321 -1.123 17895 1490 1 6 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.702 0.582 17895 1491 1 6 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.489 0.051 17895 1492 1 6 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.071 1.115 17895 1493 1 6 . 1 1 34 34 ILE H H 34 8.205 8.205 8.707 -0.502 17895 1494 1 6 . 1 1 35 35 GLU N N 35 120.651 120.651 118.742 1.909 17895 1495 1 6 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.339 -0.126 17895 1496 1 6 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.419 2.174 17895 1497 1 6 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.329 0.423 17895 1498 1 6 . 1 1 35 35 GLU H H 35 8.592 8.592 8.026 0.566 17895 1499 1 6 . 1 1 36 36 LYS N N 36 115.995 115.995 119.013 -3.018 17895 1500 1 6 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.111 0.391 17895 1501 1 6 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.707 -1.423 17895 1502 1 6 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.310 -0.471 17895 1503 1 6 . 1 1 36 36 LYS H H 36 8.111 8.111 7.683 0.428 17895 1504 1 6 . 1 1 37 37 ASN N N 37 114.563 114.563 112.560 2.003 17895 1505 1 6 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.634 0.114 17895 1506 1 6 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.066 2.622 17895 1507 1 6 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.746 0.058 17895 1508 1 6 . 1 1 37 37 ASN H H 37 8.223 8.223 8.503 -0.280 17895 1509 1 6 . 1 1 38 38 LYS N N 38 115.051 115.051 120.910 -5.859 17895 1510 1 6 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.269 0.152 17895 1511 1 6 . 1 1 38 38 LYS CA C 38 56.996 56.996 53.888 3.108 17895 1512 1 6 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.155 -1.019 17895 1513 1 6 . 1 1 38 38 LYS H H 38 8.734 8.734 7.541 1.193 17895 1514 1 6 . 1 1 39 39 TYR N N 39 116.976 116.976 118.536 -1.560 17895 1515 1 6 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.305 0.304 17895 1516 1 6 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.111 -0.734 17895 1517 1 6 . 1 1 39 39 TYR H H 39 7.089 7.089 7.523 -0.434 17895 1518 1 6 . 1 1 40 40 ASN N N 40 123.607 123.607 121.109 2.498 17895 1519 1 6 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.832 0.544 17895 1520 1 6 . 1 1 40 40 ASN H H 40 8.862 8.862 8.439 0.423 17895 1521 1 6 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.486 -0.697 17895 1522 1 6 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.410 1.060 17895 1523 1 6 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.190 0.271 17895 1524 1 6 . 1 1 42 42 SER N N 42 125.650 125.650 114.530 11.120 17895 1525 1 6 . 1 1 42 42 SER HA H 42 4.556 4.556 4.209 0.347 17895 1526 1 6 . 1 1 42 42 SER CA C 42 58.198 58.198 58.008 0.190 17895 1527 1 6 . 1 1 42 42 SER H H 42 8.056 8.056 8.074 -0.018 17895 1528 1 6 . 1 1 43 43 LEU N N 43 120.689 120.689 124.178 -3.489 17895 1529 1 6 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.984 -0.071 17895 1530 1 6 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.384 0.861 17895 1531 1 6 . 1 1 43 43 LEU H H 43 9.296 9.296 8.690 0.606 17895 1532 1 6 . 1 1 44 44 GLN N N 44 115.960 115.960 119.161 -3.201 17895 1533 1 6 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.149 -0.452 17895 1534 1 6 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.194 1.678 17895 1535 1 6 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.357 0.793 17895 1536 1 6 . 1 1 44 44 GLN H H 44 8.915 8.915 8.564 0.351 17895 1537 1 6 . 1 1 45 45 LEU N N 45 119.431 119.431 120.243 -0.812 17895 1538 1 6 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.074 -0.182 17895 1539 1 6 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.800 -2.276 17895 1540 1 6 . 1 1 45 45 LEU H H 45 8.093 8.093 8.105 -0.012 17895 1541 1 6 . 1 1 46 46 ALA N N 46 120.497 120.497 122.348 -1.851 17895 1542 1 6 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.869 0.165 17895 1543 1 6 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.245 1.256 17895 1544 1 6 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.066 2.587 17895 1545 1 6 . 1 1 46 46 ALA H H 46 8.512 8.512 8.577 -0.065 17895 1546 1 6 . 1 1 47 47 LEU N N 47 116.461 116.461 119.161 -2.700 17895 1547 1 6 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.687 0.527 17895 1548 1 6 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.064 0.337 17895 1549 1 6 . 1 1 47 47 LEU H H 47 8.675 8.675 8.711 -0.036 17895 1550 1 6 . 1 1 48 48 LYS N N 48 120.970 120.970 120.235 0.735 17895 1551 1 6 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.288 -0.708 17895 1552 1 6 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.121 0.606 17895 1553 1 6 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.472 0.696 17895 1554 1 6 . 1 1 48 48 LYS H H 48 8.053 8.053 8.469 -0.416 17895 1555 1 6 . 1 1 49 49 ILE N N 49 120.407 120.407 120.514 -0.107 17895 1556 1 6 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.798 -0.200 17895 1557 1 6 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.730 2.372 17895 1558 1 6 . 1 1 49 49 ILE H H 49 8.783 8.783 8.457 0.326 17895 1559 1 6 . 1 1 50 50 ALA N N 50 120.445 120.445 123.568 -3.123 17895 1560 1 6 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.041 0.029 17895 1561 1 6 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.276 1.124 17895 1562 1 6 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.141 0.764 17895 1563 1 6 . 1 1 50 50 ALA H H 50 8.182 8.182 8.456 -0.274 17895 1564 1 6 . 1 1 51 51 TYR N N 51 117.070 117.070 117.665 -0.595 17895 1565 1 6 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.159 0.194 17895 1566 1 6 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.479 0.874 17895 1567 1 6 . 1 1 51 51 TYR H H 51 8.170 8.170 8.280 -0.110 17895 1568 1 6 . 1 1 52 52 TYR N N 52 118.548 118.548 117.368 1.180 17895 1569 1 6 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.314 -0.010 17895 1570 1 6 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.371 2.437 17895 1571 1 6 . 1 1 52 52 TYR H H 52 9.079 9.079 8.398 0.681 17895 1572 1 6 . 1 1 53 53 LEU N N 53 115.427 115.427 113.110 2.317 17895 1573 1 6 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.656 -0.120 17895 1574 1 6 . 1 1 53 53 LEU CA C 53 55.044 55.044 54.965 0.079 17895 1575 1 6 . 1 1 53 53 LEU H H 53 8.417 8.417 8.311 0.106 17895 1576 1 6 . 1 1 54 54 ASN N N 54 122.105 122.105 117.492 4.613 17895 1577 1 6 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.464 -0.015 17895 1578 1 6 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.609 0.082 17895 1579 1 6 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.016 1.615 17895 1580 1 6 . 1 1 54 54 ASN H H 54 8.090 8.090 8.272 -0.182 17895 1581 1 6 . 1 1 55 55 THR N N 55 114.929 114.929 115.647 -0.718 17895 1582 1 6 . 1 1 55 55 THR HA H 55 4.933 4.933 4.670 0.263 17895 1583 1 6 . 1 1 55 55 THR CA C 55 60.962 60.962 60.783 0.179 17895 1584 1 6 . 1 1 55 55 THR CB C 55 75.743 75.743 71.915 3.828 17895 1585 1 6 . 1 1 55 55 THR H H 55 8.255 8.255 8.178 0.077 17895 1586 1 6 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.548 0.048 17895 1587 1 6 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.417 1.187 17895 1588 1 6 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.589 0.330 17895 1589 1 6 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.090 -0.020 17895 1590 1 6 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.318 2.304 17895 1591 1 6 . 1 1 58 58 GLU N N 58 123.143 123.143 117.621 5.522 17895 1592 1 6 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.038 0.836 17895 1593 1 6 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.160 0.339 17895 1594 1 6 . 1 1 58 58 GLU H H 58 9.365 9.365 8.562 0.803 17895 1595 1 6 . 1 1 59 59 ASP N N 59 117.681 117.681 117.841 -0.160 17895 1596 1 6 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.412 0.211 17895 1597 1 6 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.585 -0.123 17895 1598 1 6 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.081 -0.190 17895 1599 1 6 . 1 1 59 59 ASP H H 59 8.014 8.014 7.615 0.399 17895 1600 1 6 . 1 1 60 60 ILE N N 60 119.519 119.519 115.199 4.320 17895 1601 1 6 . 1 1 60 60 ILE H H 60 8.209 8.209 7.424 0.785 17895 1602 1 6 . 1 1 61 61 PHE N N 61 115.960 115.960 119.388 -3.428 17895 1603 1 6 . 1 1 61 61 PHE H H 61 8.532 8.532 8.117 0.415 17895 1604 1 6 . 1 1 62 62 GLN N N 62 116.724 116.724 122.063 -5.339 17895 1605 1 6 . 1 1 62 62 GLN H H 62 8.752 8.752 8.099 0.653 17895 1606 1 6 . 1 1 63 63 TRP N N 63 125.611 125.611 122.293 3.318 17895 1607 1 6 . 1 1 63 63 TRP H H 63 9.476 9.476 7.762 1.714 17895 1608 1 6 . 1 1 64 64 GLN N N 64 127.087 127.087 124.794 2.293 17895 1609 1 6 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.752 -0.573 17895 1610 1 6 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.539 -0.137 17895 1611 1 6 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.942 2.631 17895 1612 1 6 . 1 1 64 64 GLN H H 64 7.989 7.989 9.264 -1.275 17895 1613 1 6 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.560 0.122 17895 1614 1 6 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.528 -2.014 17895 1615 1 7 . 1 1 2 2 ILE N N 2 123.202 123.202 119.994 3.208 17895 1616 1 7 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.451 0.581 17895 1617 1 7 . 1 1 2 2 ILE H H 2 9.148 9.148 7.937 1.211 17895 1618 1 7 . 1 1 3 3 ILE N N 3 108.681 108.681 126.515 -17.834 17895 1619 1 7 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.361 0.069 17895 1620 1 7 . 1 1 3 3 ILE CA C 3 60.911 60.911 58.771 2.140 17895 1621 1 7 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.443 1.113 17895 1622 1 7 . 1 1 3 3 ILE H H 3 9.416 9.416 8.889 0.527 17895 1623 1 7 . 1 1 4 4 ASN N N 4 123.966 123.966 125.446 -1.480 17895 1624 1 7 . 1 1 4 4 ASN H H 4 9.081 9.081 8.950 0.131 17895 1625 1 7 . 1 1 5 5 ASN N N 5 120.745 120.745 121.917 -1.172 17895 1626 1 7 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.488 0.941 17895 1627 1 7 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.852 -1.496 17895 1628 1 7 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.534 4.179 17895 1629 1 7 . 1 1 5 5 ASN H H 5 9.369 9.369 7.955 1.414 17895 1630 1 7 . 1 1 6 6 LEU N N 6 120.594 120.594 122.817 -2.223 17895 1631 1 7 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.789 -0.023 17895 1632 1 7 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.162 2.437 17895 1633 1 7 . 1 1 6 6 LEU H H 6 8.538 8.538 8.343 0.195 17895 1634 1 7 . 1 1 7 7 LYS N N 7 118.177 118.177 117.745 0.432 17895 1635 1 7 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.105 -0.197 17895 1636 1 7 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.077 2.229 17895 1637 1 7 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.277 1.926 17895 1638 1 7 . 1 1 7 7 LYS H H 7 8.940 8.940 7.785 1.155 17895 1639 1 7 . 1 1 8 8 LEU N N 8 116.356 116.356 119.922 -3.566 17895 1640 1 7 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.064 0.108 17895 1641 1 7 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.592 0.699 17895 1642 1 7 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.714 2.214 17895 1643 1 7 . 1 1 8 8 LEU H H 8 7.687 7.687 7.416 0.271 17895 1644 1 7 . 1 1 9 9 ILE N N 9 119.134 119.134 118.089 1.045 17895 1645 1 7 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.717 0.096 17895 1646 1 7 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.768 -0.910 17895 1647 1 7 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.345 0.485 17895 1648 1 7 . 1 1 9 9 ILE H H 9 8.225 8.225 7.278 0.947 17895 1649 1 7 . 1 1 10 10 ARG N N 10 120.162 120.162 121.405 -1.243 17895 1650 1 7 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.909 -0.030 17895 1651 1 7 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.361 2.308 17895 1652 1 7 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.986 -0.587 17895 1653 1 7 . 1 1 10 10 ARG H H 10 9.259 9.259 8.589 0.670 17895 1654 1 7 . 1 1 11 11 GLU N N 11 115.878 115.878 118.206 -2.328 17895 1655 1 7 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.277 -0.105 17895 1656 1 7 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.154 2.132 17895 1657 1 7 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.951 0.863 17895 1658 1 7 . 1 1 11 11 GLU H H 11 8.703 8.703 8.720 -0.017 17895 1659 1 7 . 1 1 12 12 LYS N N 12 122.935 122.935 121.208 1.727 17895 1660 1 7 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.081 0.125 17895 1661 1 7 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.693 1.582 17895 1662 1 7 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.878 0.020 17895 1663 1 7 . 1 1 12 12 LYS H H 12 8.256 8.256 7.609 0.647 17895 1664 1 7 . 1 1 13 13 LYS N N 13 116.350 116.350 115.555 0.795 17895 1665 1 7 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.337 -0.041 17895 1666 1 7 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.829 0.102 17895 1667 1 7 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.729 -0.280 17895 1668 1 7 . 1 1 13 13 LYS H H 13 7.813 7.813 7.584 0.229 17895 1669 1 7 . 1 1 14 14 LYS N N 14 115.317 115.317 115.962 -0.645 17895 1670 1 7 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.055 -0.092 17895 1671 1 7 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.668 1.120 17895 1672 1 7 . 1 1 14 14 LYS CB C 14 29.048 29.048 30.002 -0.954 17895 1673 1 7 . 1 1 14 14 LYS H H 14 8.068 8.068 7.995 0.073 17895 1674 1 7 . 1 1 15 15 ILE N N 15 118.373 118.373 119.963 -1.590 17895 1675 1 7 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.364 0.248 17895 1676 1 7 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.039 2.019 17895 1677 1 7 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.061 3.735 17895 1678 1 7 . 1 1 15 15 ILE H H 15 7.573 7.573 8.723 -1.150 17895 1679 1 7 . 1 1 16 16 SER N N 16 125.057 125.057 121.177 3.880 17895 1680 1 7 . 1 1 16 16 SER HA H 16 4.566 4.566 4.482 0.084 17895 1681 1 7 . 1 1 16 16 SER CA C 16 57.781 57.781 57.523 0.258 17895 1682 1 7 . 1 1 16 16 SER H H 16 9.457 9.457 9.590 -0.133 17895 1683 1 7 . 1 1 17 17 GLN N N 17 120.197 120.197 126.977 -6.780 17895 1684 1 7 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.109 -0.331 17895 1685 1 7 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.299 3.363 17895 1686 1 7 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.381 1.280 17895 1687 1 7 . 1 1 17 17 GLN H H 17 9.544 9.544 9.115 0.429 17895 1688 1 7 . 1 1 18 18 SER N N 18 112.998 112.998 115.748 -2.750 17895 1689 1 7 . 1 1 18 18 SER H H 18 8.985 8.985 8.080 0.905 17895 1690 1 7 . 1 1 19 19 GLU N N 19 124.112 124.112 122.014 2.098 17895 1691 1 7 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.090 0.016 17895 1692 1 7 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.817 0.696 17895 1693 1 7 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.931 1.508 17895 1694 1 7 . 1 1 19 19 GLU H H 19 8.349 8.349 8.376 -0.027 17895 1695 1 7 . 1 1 20 20 LEU N N 20 119.955 119.955 121.783 -1.828 17895 1696 1 7 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.942 0.184 17895 1697 1 7 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.252 0.140 17895 1698 1 7 . 1 1 20 20 LEU H H 20 8.321 8.321 8.388 -0.067 17895 1699 1 7 . 1 1 21 21 ALA N N 21 119.830 119.830 121.367 -1.537 17895 1700 1 7 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.887 -0.178 17895 1701 1 7 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.088 1.184 17895 1702 1 7 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.969 -0.234 17895 1703 1 7 . 1 1 21 21 ALA H H 21 8.595 8.595 8.585 0.010 17895 1704 1 7 . 1 1 22 22 ALA N N 22 117.258 117.258 121.650 -4.392 17895 1705 1 7 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.045 0.218 17895 1706 1 7 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.665 0.844 17895 1707 1 7 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.311 0.219 17895 1708 1 7 . 1 1 22 22 ALA H H 22 7.818 7.818 7.917 -0.099 17895 1709 1 7 . 1 1 23 23 LEU N N 23 118.586 118.586 117.976 0.610 17895 1710 1 7 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.738 0.222 17895 1711 1 7 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.884 1.116 17895 1712 1 7 . 1 1 23 23 LEU H H 23 7.537 7.537 8.003 -0.466 17895 1713 1 7 . 1 1 24 24 LEU N N 24 114.488 114.488 114.103 0.385 17895 1714 1 7 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.060 0.203 17895 1715 1 7 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.997 -0.303 17895 1716 1 7 . 1 1 24 24 LEU H H 24 7.448 7.448 7.968 -0.520 17895 1717 1 7 . 1 1 25 25 GLU N N 25 114.895 114.895 114.028 0.867 17895 1718 1 7 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.011 -0.046 17895 1719 1 7 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.098 0.950 17895 1720 1 7 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.665 0.228 17895 1721 1 7 . 1 1 25 25 GLU H H 25 8.028 8.028 8.113 -0.085 17895 1722 1 7 . 1 1 26 26 VAL N N 26 109.697 109.697 113.249 -3.552 17895 1723 1 7 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.544 0.329 17895 1724 1 7 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.647 -0.466 17895 1725 1 7 . 1 1 26 26 VAL H H 26 7.990 7.990 7.893 0.097 17895 1726 1 7 . 1 1 27 27 SER N N 27 114.369 114.369 116.018 -1.649 17895 1727 1 7 . 1 1 27 27 SER HA H 27 4.643 4.643 4.524 0.119 17895 1728 1 7 . 1 1 27 27 SER CA C 27 57.345 57.345 58.400 -1.055 17895 1729 1 7 . 1 1 27 27 SER CB C 27 63.110 63.110 64.099 -0.989 17895 1730 1 7 . 1 1 27 27 SER H H 27 8.633 8.633 8.310 0.323 17895 1731 1 7 . 1 1 28 28 ARG N N 28 115.276 115.276 125.807 -10.531 17895 1732 1 7 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.968 -0.240 17895 1733 1 7 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.089 0.669 17895 1734 1 7 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.966 -0.016 17895 1735 1 7 . 1 1 28 28 ARG H H 28 8.236 8.236 8.953 -0.717 17895 1736 1 7 . 1 1 29 29 GLN N N 29 117.309 117.309 117.350 -0.041 17895 1737 1 7 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.118 0.035 17895 1738 1 7 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.076 0.937 17895 1739 1 7 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.573 0.895 17895 1740 1 7 . 1 1 29 29 GLN H H 29 8.835 8.835 8.909 -0.074 17895 1741 1 7 . 1 1 30 30 THR N N 30 119.984 119.984 113.272 6.712 17895 1742 1 7 . 1 1 30 30 THR HA H 30 4.418 4.418 4.121 0.297 17895 1743 1 7 . 1 1 30 30 THR CA C 30 68.600 68.600 65.469 3.131 17895 1744 1 7 . 1 1 30 30 THR CB C 30 67.556 67.556 68.689 -1.133 17895 1745 1 7 . 1 1 30 30 THR H H 30 8.136 8.136 7.927 0.209 17895 1746 1 7 . 1 1 31 31 ILE N N 31 118.828 118.828 122.175 -3.347 17895 1747 1 7 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.812 -0.027 17895 1748 1 7 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.693 -1.764 17895 1749 1 7 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.996 -1.019 17895 1750 1 7 . 1 1 31 31 ILE H H 31 7.162 7.162 7.598 -0.436 17895 1751 1 7 . 1 1 32 32 ASN N N 32 118.028 118.028 117.625 0.403 17895 1752 1 7 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.701 -0.371 17895 1753 1 7 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.883 3.312 17895 1754 1 7 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.672 2.473 17895 1755 1 7 . 1 1 32 32 ASN H H 32 8.668 8.668 9.114 -0.446 17895 1756 1 7 . 1 1 33 33 GLY N N 33 124.941 124.941 109.870 15.071 17895 1757 1 7 . 1 1 33 33 GLY H H 33 8.656 8.656 8.267 0.389 17895 1758 1 7 . 1 1 34 34 ILE N N 34 122.198 122.198 122.767 -0.569 17895 1759 1 7 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.628 0.656 17895 1760 1 7 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.015 0.525 17895 1761 1 7 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.068 1.119 17895 1762 1 7 . 1 1 34 34 ILE H H 34 8.205 8.205 8.418 -0.213 17895 1763 1 7 . 1 1 35 35 GLU N N 35 120.651 120.651 118.596 2.055 17895 1764 1 7 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.182 0.031 17895 1765 1 7 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.862 1.730 17895 1766 1 7 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.065 0.687 17895 1767 1 7 . 1 1 35 35 GLU H H 35 8.592 8.592 7.911 0.681 17895 1768 1 7 . 1 1 36 36 LYS N N 36 115.995 115.995 118.227 -2.232 17895 1769 1 7 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.013 0.489 17895 1770 1 7 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.700 -2.416 17895 1771 1 7 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.359 -0.520 17895 1772 1 7 . 1 1 36 36 LYS H H 36 8.111 8.111 7.574 0.537 17895 1773 1 7 . 1 1 37 37 ASN N N 37 114.563 114.563 113.984 0.579 17895 1774 1 7 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.639 0.109 17895 1775 1 7 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.089 2.599 17895 1776 1 7 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.173 -1.369 17895 1777 1 7 . 1 1 37 37 ASN H H 37 8.223 8.223 8.247 -0.024 17895 1778 1 7 . 1 1 38 38 LYS N N 38 115.051 115.051 120.825 -5.774 17895 1779 1 7 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.203 0.218 17895 1780 1 7 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.835 2.161 17895 1781 1 7 . 1 1 38 38 LYS CB C 38 34.136 34.136 34.780 -0.644 17895 1782 1 7 . 1 1 38 38 LYS H H 38 8.734 8.734 8.176 0.558 17895 1783 1 7 . 1 1 39 39 TYR N N 39 116.976 116.976 119.464 -2.488 17895 1784 1 7 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.294 0.315 17895 1785 1 7 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.599 -1.222 17895 1786 1 7 . 1 1 39 39 TYR H H 39 7.089 7.089 7.505 -0.416 17895 1787 1 7 . 1 1 40 40 ASN N N 40 123.607 123.607 122.805 0.802 17895 1788 1 7 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.447 0.929 17895 1789 1 7 . 1 1 40 40 ASN H H 40 8.862 8.862 8.362 0.500 17895 1790 1 7 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.456 -0.667 17895 1791 1 7 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.969 0.501 17895 1792 1 7 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.943 0.518 17895 1793 1 7 . 1 1 42 42 SER N N 42 125.650 125.650 115.763 9.887 17895 1794 1 7 . 1 1 42 42 SER HA H 42 4.556 4.556 4.320 0.236 17895 1795 1 7 . 1 1 42 42 SER CA C 42 58.198 58.198 57.932 0.266 17895 1796 1 7 . 1 1 42 42 SER H H 42 8.056 8.056 8.229 -0.173 17895 1797 1 7 . 1 1 43 43 LEU N N 43 120.689 120.689 126.196 -5.507 17895 1798 1 7 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.088 -0.175 17895 1799 1 7 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.557 0.688 17895 1800 1 7 . 1 1 43 43 LEU H H 43 9.296 9.296 8.727 0.569 17895 1801 1 7 . 1 1 44 44 GLN N N 44 115.960 115.960 119.153 -3.193 17895 1802 1 7 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.126 -0.429 17895 1803 1 7 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.224 1.649 17895 1804 1 7 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.329 0.821 17895 1805 1 7 . 1 1 44 44 GLN H H 44 8.915 8.915 8.611 0.304 17895 1806 1 7 . 1 1 45 45 LEU N N 45 119.431 119.431 120.214 -0.783 17895 1807 1 7 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.090 -0.198 17895 1808 1 7 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.856 -2.333 17895 1809 1 7 . 1 1 45 45 LEU H H 45 8.093 8.093 8.052 0.041 17895 1810 1 7 . 1 1 46 46 ALA N N 46 120.497 120.497 122.666 -2.169 17895 1811 1 7 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.016 0.018 17895 1812 1 7 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.459 1.042 17895 1813 1 7 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.239 2.414 17895 1814 1 7 . 1 1 46 46 ALA H H 46 8.512 8.512 8.898 -0.386 17895 1815 1 7 . 1 1 47 47 LEU N N 47 116.461 116.461 119.072 -2.611 17895 1816 1 7 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.895 0.319 17895 1817 1 7 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.283 0.118 17895 1818 1 7 . 1 1 47 47 LEU H H 47 8.675 8.675 8.907 -0.232 17895 1819 1 7 . 1 1 48 48 LYS N N 48 120.970 120.970 120.342 0.628 17895 1820 1 7 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.205 -0.625 17895 1821 1 7 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.154 0.573 17895 1822 1 7 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.507 0.661 17895 1823 1 7 . 1 1 48 48 LYS H H 48 8.053 8.053 8.345 -0.292 17895 1824 1 7 . 1 1 49 49 ILE N N 49 120.407 120.407 120.837 -0.430 17895 1825 1 7 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.800 -0.202 17895 1826 1 7 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.730 2.373 17895 1827 1 7 . 1 1 49 49 ILE H H 49 8.783 8.783 8.665 0.118 17895 1828 1 7 . 1 1 50 50 ALA N N 50 120.445 120.445 123.640 -3.195 17895 1829 1 7 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.133 -0.063 17895 1830 1 7 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.442 0.958 17895 1831 1 7 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.340 0.565 17895 1832 1 7 . 1 1 50 50 ALA H H 50 8.182 8.182 8.985 -0.803 17895 1833 1 7 . 1 1 51 51 TYR N N 51 117.070 117.070 120.434 -3.364 17895 1834 1 7 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.031 0.322 17895 1835 1 7 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.049 0.304 17895 1836 1 7 . 1 1 51 51 TYR H H 51 8.170 8.170 8.871 -0.701 17895 1837 1 7 . 1 1 52 52 TYR N N 52 118.548 118.548 116.732 1.816 17895 1838 1 7 . 1 1 52 52 TYR HA H 52 4.304 4.304 3.993 0.311 17895 1839 1 7 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.891 1.917 17895 1840 1 7 . 1 1 52 52 TYR H H 52 9.079 9.079 8.654 0.425 17895 1841 1 7 . 1 1 53 53 LEU N N 53 115.427 115.427 118.577 -3.150 17895 1842 1 7 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.030 0.506 17895 1843 1 7 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.748 -1.704 17895 1844 1 7 . 1 1 53 53 LEU H H 53 8.417 8.417 8.692 -0.275 17895 1845 1 7 . 1 1 54 54 ASN N N 54 122.105 122.105 109.729 12.376 17895 1846 1 7 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.451 -0.002 17895 1847 1 7 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.538 1.153 17895 1848 1 7 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.138 1.493 17895 1849 1 7 . 1 1 54 54 ASN H H 54 8.090 8.090 8.755 -0.665 17895 1850 1 7 . 1 1 55 55 THR N N 55 114.929 114.929 115.155 -0.226 17895 1851 1 7 . 1 1 55 55 THR HA H 55 4.933 4.933 4.809 0.124 17895 1852 1 7 . 1 1 55 55 THR CA C 55 60.962 60.962 59.977 0.985 17895 1853 1 7 . 1 1 55 55 THR CB C 55 75.743 75.743 71.013 4.730 17895 1854 1 7 . 1 1 55 55 THR H H 55 8.255 8.255 8.124 0.131 17895 1855 1 7 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.623 -0.027 17895 1856 1 7 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.782 0.822 17895 1857 1 7 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.467 0.452 17895 1858 1 7 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.209 -0.139 17895 1859 1 7 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.528 2.094 17895 1860 1 7 . 1 1 58 58 GLU N N 58 123.143 123.143 117.349 5.794 17895 1861 1 7 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.482 0.392 17895 1862 1 7 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.049 0.450 17895 1863 1 7 . 1 1 58 58 GLU H H 58 9.365 9.365 8.456 0.909 17895 1864 1 7 . 1 1 59 59 ASP N N 59 117.681 117.681 118.014 -0.333 17895 1865 1 7 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.492 0.131 17895 1866 1 7 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.500 -0.038 17895 1867 1 7 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.883 0.008 17895 1868 1 7 . 1 1 59 59 ASP H H 59 8.014 8.014 7.658 0.356 17895 1869 1 7 . 1 1 60 60 ILE N N 60 119.519 119.519 112.355 7.164 17895 1870 1 7 . 1 1 60 60 ILE H H 60 8.209 8.209 7.379 0.830 17895 1871 1 7 . 1 1 61 61 PHE N N 61 115.960 115.960 120.763 -4.803 17895 1872 1 7 . 1 1 61 61 PHE H H 61 8.532 8.532 8.577 -0.045 17895 1873 1 7 . 1 1 62 62 GLN N N 62 116.724 116.724 121.749 -5.025 17895 1874 1 7 . 1 1 62 62 GLN H H 62 8.752 8.752 8.513 0.239 17895 1875 1 7 . 1 1 63 63 TRP N N 63 125.611 125.611 123.274 2.337 17895 1876 1 7 . 1 1 63 63 TRP H H 63 9.476 9.476 8.675 0.801 17895 1877 1 7 . 1 1 64 64 GLN N N 64 127.087 127.087 123.453 3.634 17895 1878 1 7 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.781 -0.602 17895 1879 1 7 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.952 -0.550 17895 1880 1 7 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.813 1.760 17895 1881 1 7 . 1 1 64 64 GLN H H 64 7.989 7.989 9.122 -1.133 17895 1882 1 7 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.308 0.374 17895 1883 1 7 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.686 -2.171 17895 1884 1 8 . 1 1 2 2 ILE N N 2 123.202 123.202 120.868 2.334 17895 1885 1 8 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.433 0.599 17895 1886 1 8 . 1 1 2 2 ILE H H 2 9.148 9.148 8.265 0.883 17895 1887 1 8 . 1 1 3 3 ILE N N 3 108.681 108.681 128.329 -19.648 17895 1888 1 8 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.991 0.439 17895 1889 1 8 . 1 1 3 3 ILE CA C 3 60.911 60.911 60.021 0.890 17895 1890 1 8 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.498 5.057 17895 1891 1 8 . 1 1 3 3 ILE H H 3 9.416 9.416 8.778 0.638 17895 1892 1 8 . 1 1 4 4 ASN N N 4 123.966 123.966 125.347 -1.381 17895 1893 1 8 . 1 1 4 4 ASN H H 4 9.081 9.081 9.014 0.067 17895 1894 1 8 . 1 1 5 5 ASN N N 5 120.745 120.745 117.090 3.655 17895 1895 1 8 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.543 0.886 17895 1896 1 8 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.924 -0.568 17895 1897 1 8 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.890 2.823 17895 1898 1 8 . 1 1 5 5 ASN H H 5 9.369 9.369 8.479 0.890 17895 1899 1 8 . 1 1 6 6 LEU N N 6 120.594 120.594 121.643 -1.049 17895 1900 1 8 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.719 0.047 17895 1901 1 8 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.903 2.696 17895 1902 1 8 . 1 1 6 6 LEU H H 6 8.538 8.538 7.139 1.399 17895 1903 1 8 . 1 1 7 7 LYS N N 7 118.177 118.177 118.424 -0.247 17895 1904 1 8 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.988 -0.080 17895 1905 1 8 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.269 2.037 17895 1906 1 8 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.036 2.167 17895 1907 1 8 . 1 1 7 7 LYS H H 7 8.940 8.940 7.513 1.427 17895 1908 1 8 . 1 1 8 8 LEU N N 8 116.356 116.356 119.923 -3.567 17895 1909 1 8 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.063 0.109 17895 1910 1 8 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.748 1.542 17895 1911 1 8 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.920 2.008 17895 1912 1 8 . 1 1 8 8 LEU H H 8 7.687 7.687 7.439 0.248 17895 1913 1 8 . 1 1 9 9 ILE N N 9 119.134 119.134 118.780 0.354 17895 1914 1 8 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.508 0.305 17895 1915 1 8 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.739 -1.881 17895 1916 1 8 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.622 0.208 17895 1917 1 8 . 1 1 9 9 ILE H H 9 8.225 8.225 7.416 0.809 17895 1918 1 8 . 1 1 10 10 ARG N N 10 120.162 120.162 121.081 -0.919 17895 1919 1 8 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.896 -0.017 17895 1920 1 8 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.538 2.130 17895 1921 1 8 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.165 -0.766 17895 1922 1 8 . 1 1 10 10 ARG H H 10 9.259 9.259 8.629 0.630 17895 1923 1 8 . 1 1 11 11 GLU N N 11 115.878 115.878 118.652 -2.774 17895 1924 1 8 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.152 0.020 17895 1925 1 8 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.644 1.642 17895 1926 1 8 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.880 0.934 17895 1927 1 8 . 1 1 11 11 GLU H H 11 8.703 8.703 8.902 -0.199 17895 1928 1 8 . 1 1 12 12 LYS N N 12 122.935 122.935 122.143 0.792 17895 1929 1 8 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.974 0.232 17895 1930 1 8 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.759 0.516 17895 1931 1 8 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.409 0.489 17895 1932 1 8 . 1 1 12 12 LYS H H 12 8.256 8.256 8.337 -0.081 17895 1933 1 8 . 1 1 13 13 LYS N N 13 116.350 116.350 116.701 -0.351 17895 1934 1 8 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.219 0.077 17895 1935 1 8 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.890 -0.959 17895 1936 1 8 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.655 -0.206 17895 1937 1 8 . 1 1 13 13 LYS H H 13 7.813 7.813 7.588 0.225 17895 1938 1 8 . 1 1 14 14 LYS N N 14 115.317 115.317 114.250 1.067 17895 1939 1 8 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.030 -0.067 17895 1940 1 8 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.408 1.380 17895 1941 1 8 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.285 -0.237 17895 1942 1 8 . 1 1 14 14 LYS H H 14 8.068 8.068 7.585 0.483 17895 1943 1 8 . 1 1 15 15 ILE N N 15 118.373 118.373 120.579 -2.206 17895 1944 1 8 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.168 0.444 17895 1945 1 8 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.571 1.487 17895 1946 1 8 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.200 3.596 17895 1947 1 8 . 1 1 15 15 ILE H H 15 7.573 7.573 8.657 -1.084 17895 1948 1 8 . 1 1 16 16 SER N N 16 125.057 125.057 122.181 2.876 17895 1949 1 8 . 1 1 16 16 SER HA H 16 4.566 4.566 4.618 -0.052 17895 1950 1 8 . 1 1 16 16 SER CA C 16 57.781 57.781 58.169 -0.388 17895 1951 1 8 . 1 1 16 16 SER H H 16 9.457 9.457 8.878 0.579 17895 1952 1 8 . 1 1 17 17 GLN N N 17 120.197 120.197 124.015 -3.818 17895 1953 1 8 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.005 -0.227 17895 1954 1 8 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.761 2.901 17895 1955 1 8 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.300 1.361 17895 1956 1 8 . 1 1 17 17 GLN H H 17 9.544 9.544 9.036 0.508 17895 1957 1 8 . 1 1 18 18 SER N N 18 112.998 112.998 116.030 -3.032 17895 1958 1 8 . 1 1 18 18 SER H H 18 8.985 8.985 8.637 0.348 17895 1959 1 8 . 1 1 19 19 GLU N N 19 124.112 124.112 121.886 2.226 17895 1960 1 8 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.053 0.053 17895 1961 1 8 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.883 0.630 17895 1962 1 8 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.379 1.060 17895 1963 1 8 . 1 1 19 19 GLU H H 19 8.349 8.349 8.102 0.247 17895 1964 1 8 . 1 1 20 20 LEU N N 20 119.955 119.955 122.080 -2.125 17895 1965 1 8 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.997 0.129 17895 1966 1 8 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.014 0.378 17895 1967 1 8 . 1 1 20 20 LEU H H 20 8.321 8.321 8.003 0.318 17895 1968 1 8 . 1 1 21 21 ALA N N 21 119.830 119.830 120.971 -1.141 17895 1969 1 8 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.886 -0.177 17895 1970 1 8 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.079 1.193 17895 1971 1 8 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.983 -0.248 17895 1972 1 8 . 1 1 21 21 ALA H H 21 8.595 8.595 8.789 -0.194 17895 1973 1 8 . 1 1 22 22 ALA N N 22 117.258 117.258 121.175 -3.917 17895 1974 1 8 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.966 0.297 17895 1975 1 8 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.800 0.709 17895 1976 1 8 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.507 0.023 17895 1977 1 8 . 1 1 22 22 ALA H H 22 7.818 7.818 7.799 0.019 17895 1978 1 8 . 1 1 23 23 LEU N N 23 118.586 118.586 118.006 0.580 17895 1979 1 8 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.749 0.211 17895 1980 1 8 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.123 0.877 17895 1981 1 8 . 1 1 23 23 LEU H H 23 7.537 7.537 7.796 -0.259 17895 1982 1 8 . 1 1 24 24 LEU N N 24 114.488 114.488 114.133 0.355 17895 1983 1 8 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.131 0.132 17895 1984 1 8 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.349 0.346 17895 1985 1 8 . 1 1 24 24 LEU H H 24 7.448 7.448 7.899 -0.451 17895 1986 1 8 . 1 1 25 25 GLU N N 25 114.895 114.895 112.901 1.994 17895 1987 1 8 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.972 -0.007 17895 1988 1 8 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.354 0.694 17895 1989 1 8 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.349 0.544 17895 1990 1 8 . 1 1 25 25 GLU H H 25 8.028 8.028 7.689 0.339 17895 1991 1 8 . 1 1 26 26 VAL N N 26 109.697 109.697 112.334 -2.637 17895 1992 1 8 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.464 0.409 17895 1993 1 8 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.459 -0.278 17895 1994 1 8 . 1 1 26 26 VAL H H 26 7.990 7.990 7.522 0.468 17895 1995 1 8 . 1 1 27 27 SER N N 27 114.369 114.369 116.013 -1.644 17895 1996 1 8 . 1 1 27 27 SER HA H 27 4.643 4.643 4.521 0.122 17895 1997 1 8 . 1 1 27 27 SER CA C 27 57.345 57.345 57.249 0.096 17895 1998 1 8 . 1 1 27 27 SER CB C 27 63.110 63.110 64.370 -1.260 17895 1999 1 8 . 1 1 27 27 SER H H 27 8.633 8.633 8.358 0.275 17895 2000 1 8 . 1 1 28 28 ARG N N 28 115.276 115.276 125.957 -10.681 17895 2001 1 8 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.878 -0.150 17895 2002 1 8 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.334 0.424 17895 2003 1 8 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.023 -0.072 17895 2004 1 8 . 1 1 28 28 ARG H H 28 8.236 8.236 8.972 -0.736 17895 2005 1 8 . 1 1 29 29 GLN N N 29 117.309 117.309 115.333 1.976 17895 2006 1 8 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.031 0.122 17895 2007 1 8 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.989 1.024 17895 2008 1 8 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.492 0.976 17895 2009 1 8 . 1 1 29 29 GLN H H 29 8.835 8.835 8.786 0.049 17895 2010 1 8 . 1 1 30 30 THR N N 30 119.984 119.984 113.975 6.009 17895 2011 1 8 . 1 1 30 30 THR HA H 30 4.418 4.418 3.972 0.446 17895 2012 1 8 . 1 1 30 30 THR CA C 30 68.600 68.600 65.362 3.238 17895 2013 1 8 . 1 1 30 30 THR CB C 30 67.556 67.556 68.453 -0.897 17895 2014 1 8 . 1 1 30 30 THR H H 30 8.136 8.136 7.475 0.661 17895 2015 1 8 . 1 1 31 31 ILE N N 31 118.828 118.828 122.440 -3.612 17895 2016 1 8 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.744 0.041 17895 2017 1 8 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.633 -1.704 17895 2018 1 8 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.934 -0.957 17895 2019 1 8 . 1 1 31 31 ILE H H 31 7.162 7.162 7.974 -0.812 17895 2020 1 8 . 1 1 32 32 ASN N N 32 118.028 118.028 117.370 0.658 17895 2021 1 8 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.787 -0.457 17895 2022 1 8 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.292 2.903 17895 2023 1 8 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.532 2.613 17895 2024 1 8 . 1 1 32 32 ASN H H 32 8.668 8.668 9.057 -0.389 17895 2025 1 8 . 1 1 33 33 GLY N N 33 124.941 124.941 109.076 15.865 17895 2026 1 8 . 1 1 33 33 GLY H H 33 8.656 8.656 7.397 1.259 17895 2027 1 8 . 1 1 34 34 ILE N N 34 122.198 122.198 123.106 -0.908 17895 2028 1 8 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.849 0.435 17895 2029 1 8 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.262 1.278 17895 2030 1 8 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.106 1.080 17895 2031 1 8 . 1 1 34 34 ILE H H 34 8.205 8.205 8.099 0.106 17895 2032 1 8 . 1 1 35 35 GLU N N 35 120.651 120.651 116.023 4.628 17895 2033 1 8 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.318 -0.105 17895 2034 1 8 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.692 1.900 17895 2035 1 8 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.371 0.381 17895 2036 1 8 . 1 1 35 35 GLU H H 35 8.592 8.592 7.904 0.688 17895 2037 1 8 . 1 1 36 36 LYS N N 36 115.995 115.995 118.213 -2.218 17895 2038 1 8 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.237 0.265 17895 2039 1 8 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.093 -1.810 17895 2040 1 8 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.579 -0.740 17895 2041 1 8 . 1 1 36 36 LYS H H 36 8.111 8.111 7.848 0.263 17895 2042 1 8 . 1 1 37 37 ASN N N 37 114.563 114.563 111.261 3.302 17895 2043 1 8 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.685 0.063 17895 2044 1 8 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.199 2.490 17895 2045 1 8 . 1 1 37 37 ASN CB C 37 37.804 37.804 40.160 -2.356 17895 2046 1 8 . 1 1 37 37 ASN H H 37 8.223 8.223 8.318 -0.095 17895 2047 1 8 . 1 1 38 38 LYS N N 38 115.051 115.051 122.361 -7.310 17895 2048 1 8 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.051 0.370 17895 2049 1 8 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.000 0.996 17895 2050 1 8 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.016 1.120 17895 2051 1 8 . 1 1 38 38 LYS H H 38 8.734 8.734 8.075 0.659 17895 2052 1 8 . 1 1 39 39 TYR N N 39 116.976 116.976 121.279 -4.303 17895 2053 1 8 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.239 0.370 17895 2054 1 8 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.943 -1.566 17895 2055 1 8 . 1 1 39 39 TYR H H 39 7.089 7.089 8.150 -1.061 17895 2056 1 8 . 1 1 40 40 ASN N N 40 123.607 123.607 121.671 1.936 17895 2057 1 8 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.403 0.973 17895 2058 1 8 . 1 1 40 40 ASN H H 40 8.862 8.862 8.418 0.444 17895 2059 1 8 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.434 -0.645 17895 2060 1 8 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.823 0.647 17895 2061 1 8 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.006 0.455 17895 2062 1 8 . 1 1 42 42 SER N N 42 125.650 125.650 115.960 9.690 17895 2063 1 8 . 1 1 42 42 SER HA H 42 4.556 4.556 4.293 0.263 17895 2064 1 8 . 1 1 42 42 SER CA C 42 58.198 58.198 58.042 0.156 17895 2065 1 8 . 1 1 42 42 SER H H 42 8.056 8.056 8.236 -0.180 17895 2066 1 8 . 1 1 43 43 LEU N N 43 120.689 120.689 124.897 -4.208 17895 2067 1 8 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.102 -0.189 17895 2068 1 8 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.548 0.696 17895 2069 1 8 . 1 1 43 43 LEU H H 43 9.296 9.296 8.816 0.480 17895 2070 1 8 . 1 1 44 44 GLN N N 44 115.960 115.960 119.245 -3.285 17895 2071 1 8 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.180 -0.483 17895 2072 1 8 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.276 1.596 17895 2073 1 8 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.376 0.774 17895 2074 1 8 . 1 1 44 44 GLN H H 44 8.915 8.915 8.643 0.272 17895 2075 1 8 . 1 1 45 45 LEU N N 45 119.431 119.431 120.326 -0.895 17895 2076 1 8 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.104 -0.212 17895 2077 1 8 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.813 -2.289 17895 2078 1 8 . 1 1 45 45 LEU H H 45 8.093 8.093 8.052 0.041 17895 2079 1 8 . 1 1 46 46 ALA N N 46 120.497 120.497 122.632 -2.135 17895 2080 1 8 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.042 -0.008 17895 2081 1 8 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.455 1.046 17895 2082 1 8 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.296 2.357 17895 2083 1 8 . 1 1 46 46 ALA H H 46 8.512 8.512 8.884 -0.372 17895 2084 1 8 . 1 1 47 47 LEU N N 47 116.461 116.461 119.026 -2.565 17895 2085 1 8 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.661 0.553 17895 2086 1 8 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.182 0.219 17895 2087 1 8 . 1 1 47 47 LEU H H 47 8.675 8.675 8.910 -0.235 17895 2088 1 8 . 1 1 48 48 LYS N N 48 120.970 120.970 120.334 0.636 17895 2089 1 8 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.285 -0.705 17895 2090 1 8 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.177 0.550 17895 2091 1 8 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.545 0.623 17895 2092 1 8 . 1 1 48 48 LYS H H 48 8.053 8.053 8.478 -0.425 17895 2093 1 8 . 1 1 49 49 ILE N N 49 120.407 120.407 120.535 -0.128 17895 2094 1 8 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.752 -0.154 17895 2095 1 8 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.555 2.547 17895 2096 1 8 . 1 1 49 49 ILE H H 49 8.783 8.783 8.618 0.165 17895 2097 1 8 . 1 1 50 50 ALA N N 50 120.445 120.445 123.608 -3.163 17895 2098 1 8 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.073 -0.003 17895 2099 1 8 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.071 1.329 17895 2100 1 8 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.148 0.757 17895 2101 1 8 . 1 1 50 50 ALA H H 50 8.182 8.182 8.604 -0.422 17895 2102 1 8 . 1 1 51 51 TYR N N 51 117.070 117.070 118.079 -1.009 17895 2103 1 8 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.135 0.218 17895 2104 1 8 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.023 1.330 17895 2105 1 8 . 1 1 51 51 TYR H H 51 8.170 8.170 8.309 -0.139 17895 2106 1 8 . 1 1 52 52 TYR N N 52 118.548 118.548 117.246 1.302 17895 2107 1 8 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.287 0.017 17895 2108 1 8 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.626 2.182 17895 2109 1 8 . 1 1 52 52 TYR H H 52 9.079 9.079 8.620 0.459 17895 2110 1 8 . 1 1 53 53 LEU N N 53 115.427 115.427 118.031 -2.604 17895 2111 1 8 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.362 0.174 17895 2112 1 8 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.605 -0.561 17895 2113 1 8 . 1 1 53 53 LEU H H 53 8.417 8.417 8.426 -0.009 17895 2114 1 8 . 1 1 54 54 ASN N N 54 122.105 122.105 116.759 5.346 17895 2115 1 8 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.482 -0.033 17895 2116 1 8 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.282 0.409 17895 2117 1 8 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.051 1.580 17895 2118 1 8 . 1 1 54 54 ASN H H 54 8.090 8.090 7.724 0.366 17895 2119 1 8 . 1 1 55 55 THR N N 55 114.929 114.929 115.459 -0.530 17895 2120 1 8 . 1 1 55 55 THR HA H 55 4.933 4.933 4.727 0.206 17895 2121 1 8 . 1 1 55 55 THR CA C 55 60.962 60.962 60.495 0.467 17895 2122 1 8 . 1 1 55 55 THR CB C 55 75.743 75.743 71.186 4.557 17895 2123 1 8 . 1 1 55 55 THR H H 55 8.255 8.255 8.370 -0.115 17895 2124 1 8 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.425 0.171 17895 2125 1 8 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.499 1.105 17895 2126 1 8 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.327 0.592 17895 2127 1 8 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.032 0.038 17895 2128 1 8 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.074 2.548 17895 2129 1 8 . 1 1 58 58 GLU N N 58 123.143 123.143 118.460 4.683 17895 2130 1 8 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.042 0.832 17895 2131 1 8 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.150 0.349 17895 2132 1 8 . 1 1 58 58 GLU H H 58 9.365 9.365 8.834 0.531 17895 2133 1 8 . 1 1 59 59 ASP N N 59 117.681 117.681 118.383 -0.702 17895 2134 1 8 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.424 0.199 17895 2135 1 8 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.401 0.061 17895 2136 1 8 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.117 -0.226 17895 2137 1 8 . 1 1 59 59 ASP H H 59 8.014 8.014 7.669 0.345 17895 2138 1 8 . 1 1 60 60 ILE N N 60 119.519 119.519 115.316 4.203 17895 2139 1 8 . 1 1 60 60 ILE H H 60 8.209 8.209 7.697 0.512 17895 2140 1 8 . 1 1 61 61 PHE N N 61 115.960 115.960 112.665 3.295 17895 2141 1 8 . 1 1 61 61 PHE H H 61 8.532 8.532 7.895 0.637 17895 2142 1 8 . 1 1 62 62 GLN N N 62 116.724 116.724 117.668 -0.944 17895 2143 1 8 . 1 1 62 62 GLN H H 62 8.752 8.752 8.474 0.278 17895 2144 1 8 . 1 1 63 63 TRP N N 63 125.611 125.611 122.609 3.002 17895 2145 1 8 . 1 1 63 63 TRP H H 63 9.476 9.476 8.458 1.018 17895 2146 1 8 . 1 1 64 64 GLN N N 64 127.087 127.087 115.883 11.204 17895 2147 1 8 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.084 0.095 17895 2148 1 8 . 1 1 64 64 GLN CA C 64 52.402 52.402 55.987 -3.585 17895 2149 1 8 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.710 4.863 17895 2150 1 8 . 1 1 64 64 GLN H H 64 7.989 7.989 8.342 -0.353 17895 2151 1 8 . 1 1 65 65 PRO HA H 65 4.682 4.682 3.922 0.760 17895 2152 1 8 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.429 -0.915 17895 2153 1 9 . 1 1 2 2 ILE N N 2 123.202 123.202 119.952 3.250 17895 2154 1 9 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.547 -0.515 17895 2155 1 9 . 1 1 2 2 ILE H H 2 9.148 9.148 7.804 1.344 17895 2156 1 9 . 1 1 3 3 ILE N N 3 108.681 108.681 127.268 -18.587 17895 2157 1 9 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.251 0.179 17895 2158 1 9 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.261 1.649 17895 2159 1 9 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.858 1.697 17895 2160 1 9 . 1 1 3 3 ILE H H 3 9.416 9.416 9.428 -0.012 17895 2161 1 9 . 1 1 4 4 ASN N N 4 123.966 123.966 126.077 -2.111 17895 2162 1 9 . 1 1 4 4 ASN H H 4 9.081 9.081 8.980 0.101 17895 2163 1 9 . 1 1 5 5 ASN N N 5 120.745 120.745 118.317 2.428 17895 2164 1 9 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.478 0.951 17895 2165 1 9 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.385 -1.029 17895 2166 1 9 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.700 3.013 17895 2167 1 9 . 1 1 5 5 ASN H H 5 9.369 9.369 7.586 1.783 17895 2168 1 9 . 1 1 6 6 LEU N N 6 120.594 120.594 121.961 -1.367 17895 2169 1 9 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.804 -0.038 17895 2170 1 9 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.967 2.632 17895 2171 1 9 . 1 1 6 6 LEU H H 6 8.538 8.538 7.494 1.044 17895 2172 1 9 . 1 1 7 7 LYS N N 7 118.177 118.177 117.935 0.242 17895 2173 1 9 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.903 0.005 17895 2174 1 9 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.184 2.122 17895 2175 1 9 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.135 2.068 17895 2176 1 9 . 1 1 7 7 LYS H H 7 8.940 8.940 7.485 1.455 17895 2177 1 9 . 1 1 8 8 LEU N N 8 116.356 116.356 119.303 -2.947 17895 2178 1 9 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.134 0.038 17895 2179 1 9 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.977 1.313 17895 2180 1 9 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.478 2.450 17895 2181 1 9 . 1 1 8 8 LEU H H 8 7.687 7.687 7.571 0.116 17895 2182 1 9 . 1 1 9 9 ILE N N 9 119.134 119.134 118.987 0.147 17895 2183 1 9 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.572 0.241 17895 2184 1 9 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.434 -1.576 17895 2185 1 9 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.426 0.404 17895 2186 1 9 . 1 1 9 9 ILE H H 9 8.225 8.225 7.553 0.672 17895 2187 1 9 . 1 1 10 10 ARG N N 10 120.162 120.162 120.486 -0.324 17895 2188 1 9 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.904 -0.025 17895 2189 1 9 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.755 1.913 17895 2190 1 9 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.994 -0.595 17895 2191 1 9 . 1 1 10 10 ARG H H 10 9.259 9.259 8.474 0.785 17895 2192 1 9 . 1 1 11 11 GLU N N 11 115.878 115.878 118.063 -2.185 17895 2193 1 9 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.123 0.049 17895 2194 1 9 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.810 1.476 17895 2195 1 9 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.224 0.589 17895 2196 1 9 . 1 1 11 11 GLU H H 11 8.703 8.703 8.955 -0.252 17895 2197 1 9 . 1 1 12 12 LYS N N 12 122.935 122.935 121.685 1.250 17895 2198 1 9 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.988 0.218 17895 2199 1 9 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.026 1.249 17895 2200 1 9 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.591 0.307 17895 2201 1 9 . 1 1 12 12 LYS H H 12 8.256 8.256 8.367 -0.111 17895 2202 1 9 . 1 1 13 13 LYS N N 13 116.350 116.350 114.758 1.592 17895 2203 1 9 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.389 -0.093 17895 2204 1 9 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.684 0.247 17895 2205 1 9 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.571 -0.122 17895 2206 1 9 . 1 1 13 13 LYS H H 13 7.813 7.813 7.763 0.050 17895 2207 1 9 . 1 1 14 14 LYS N N 14 115.317 115.317 115.325 -0.008 17895 2208 1 9 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.951 0.012 17895 2209 1 9 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.370 1.417 17895 2210 1 9 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.150 -0.102 17895 2211 1 9 . 1 1 14 14 LYS H H 14 8.068 8.068 7.785 0.283 17895 2212 1 9 . 1 1 15 15 ILE N N 15 118.373 118.373 120.382 -2.009 17895 2213 1 9 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.006 0.606 17895 2214 1 9 . 1 1 15 15 ILE CA C 15 60.058 60.058 60.088 -0.030 17895 2215 1 9 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.994 3.802 17895 2216 1 9 . 1 1 15 15 ILE H H 15 7.573 7.573 8.505 -0.932 17895 2217 1 9 . 1 1 16 16 SER N N 16 125.057 125.057 123.654 1.403 17895 2218 1 9 . 1 1 16 16 SER HA H 16 4.566 4.566 4.558 0.008 17895 2219 1 9 . 1 1 16 16 SER CA C 16 57.781 57.781 58.204 -0.423 17895 2220 1 9 . 1 1 16 16 SER H H 16 9.457 9.457 8.835 0.622 17895 2221 1 9 . 1 1 17 17 GLN N N 17 120.197 120.197 123.396 -3.199 17895 2222 1 9 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.066 -0.288 17895 2223 1 9 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.810 2.852 17895 2224 1 9 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.187 1.474 17895 2225 1 9 . 1 1 17 17 GLN H H 17 9.544 9.544 9.036 0.508 17895 2226 1 9 . 1 1 18 18 SER N N 18 112.998 112.998 115.090 -2.092 17895 2227 1 9 . 1 1 18 18 SER H H 18 8.985 8.985 8.736 0.249 17895 2228 1 9 . 1 1 19 19 GLU N N 19 124.112 124.112 121.348 2.764 17895 2229 1 9 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.072 0.033 17895 2230 1 9 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.740 0.773 17895 2231 1 9 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.023 1.416 17895 2232 1 9 . 1 1 19 19 GLU H H 19 8.349 8.349 8.434 -0.085 17895 2233 1 9 . 1 1 20 20 LEU N N 20 119.955 119.955 121.544 -1.589 17895 2234 1 9 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.939 0.187 17895 2235 1 9 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.080 0.312 17895 2236 1 9 . 1 1 20 20 LEU H H 20 8.321 8.321 7.625 0.696 17895 2237 1 9 . 1 1 21 21 ALA N N 21 119.830 119.830 120.867 -1.037 17895 2238 1 9 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.925 -0.216 17895 2239 1 9 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.053 1.219 17895 2240 1 9 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.136 -0.401 17895 2241 1 9 . 1 1 21 21 ALA H H 21 8.595 8.595 8.720 -0.125 17895 2242 1 9 . 1 1 22 22 ALA N N 22 117.258 117.258 119.840 -2.582 17895 2243 1 9 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.042 0.221 17895 2244 1 9 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.499 1.010 17895 2245 1 9 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.439 0.091 17895 2246 1 9 . 1 1 22 22 ALA H H 22 7.818 7.818 7.603 0.215 17895 2247 1 9 . 1 1 23 23 LEU N N 23 118.586 118.586 117.425 1.161 17895 2248 1 9 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.966 -0.006 17895 2249 1 9 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.057 0.943 17895 2250 1 9 . 1 1 23 23 LEU H H 23 7.537 7.537 7.341 0.196 17895 2251 1 9 . 1 1 24 24 LEU N N 24 114.488 114.488 114.754 -0.266 17895 2252 1 9 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.351 -0.088 17895 2253 1 9 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.039 0.655 17895 2254 1 9 . 1 1 24 24 LEU H H 24 7.448 7.448 7.383 0.065 17895 2255 1 9 . 1 1 25 25 GLU N N 25 114.895 114.895 114.727 0.168 17895 2256 1 9 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.968 -0.003 17895 2257 1 9 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.379 0.669 17895 2258 1 9 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.521 0.372 17895 2259 1 9 . 1 1 25 25 GLU H H 25 8.028 8.028 7.881 0.147 17895 2260 1 9 . 1 1 26 26 VAL N N 26 109.697 109.697 112.480 -2.783 17895 2261 1 9 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.590 0.283 17895 2262 1 9 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.430 -0.249 17895 2263 1 9 . 1 1 26 26 VAL H H 26 7.990 7.990 7.752 0.238 17895 2264 1 9 . 1 1 27 27 SER N N 27 114.369 114.369 117.536 -3.167 17895 2265 1 9 . 1 1 27 27 SER HA H 27 4.643 4.643 4.515 0.128 17895 2266 1 9 . 1 1 27 27 SER CA C 27 57.345 57.345 58.690 -1.345 17895 2267 1 9 . 1 1 27 27 SER CB C 27 63.110 63.110 63.888 -0.778 17895 2268 1 9 . 1 1 27 27 SER H H 27 8.633 8.633 8.478 0.155 17895 2269 1 9 . 1 1 28 28 ARG N N 28 115.276 115.276 126.609 -11.333 17895 2270 1 9 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.915 -0.187 17895 2271 1 9 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.221 0.537 17895 2272 1 9 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.897 0.053 17895 2273 1 9 . 1 1 28 28 ARG H H 28 8.236 8.236 8.966 -0.730 17895 2274 1 9 . 1 1 29 29 GLN N N 29 117.309 117.309 115.694 1.615 17895 2275 1 9 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.228 -0.075 17895 2276 1 9 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.099 0.914 17895 2277 1 9 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.426 1.042 17895 2278 1 9 . 1 1 29 29 GLN H H 29 8.835 8.835 8.931 -0.096 17895 2279 1 9 . 1 1 30 30 THR N N 30 119.984 119.984 116.527 3.457 17895 2280 1 9 . 1 1 30 30 THR HA H 30 4.418 4.418 4.001 0.417 17895 2281 1 9 . 1 1 30 30 THR CA C 30 68.600 68.600 66.317 2.283 17895 2282 1 9 . 1 1 30 30 THR CB C 30 67.556 67.556 68.468 -0.911 17895 2283 1 9 . 1 1 30 30 THR H H 30 8.136 8.136 7.599 0.537 17895 2284 1 9 . 1 1 31 31 ILE N N 31 118.828 118.828 122.011 -3.183 17895 2285 1 9 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.856 -0.071 17895 2286 1 9 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.819 -1.891 17895 2287 1 9 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.949 -0.972 17895 2288 1 9 . 1 1 31 31 ILE H H 31 7.162 7.162 7.621 -0.459 17895 2289 1 9 . 1 1 32 32 ASN N N 32 118.028 118.028 118.505 -0.477 17895 2290 1 9 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.857 -0.527 17895 2291 1 9 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.527 2.668 17895 2292 1 9 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.692 2.453 17895 2293 1 9 . 1 1 32 32 ASN H H 32 8.668 8.668 8.584 0.084 17895 2294 1 9 . 1 1 33 33 GLY N N 33 124.941 124.941 109.620 15.321 17895 2295 1 9 . 1 1 33 33 GLY H H 33 8.656 8.656 8.135 0.521 17895 2296 1 9 . 1 1 34 34 ILE N N 34 122.198 122.198 123.406 -1.208 17895 2297 1 9 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.641 0.643 17895 2298 1 9 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.272 0.268 17895 2299 1 9 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.033 1.153 17895 2300 1 9 . 1 1 34 34 ILE H H 34 8.205 8.205 8.706 -0.501 17895 2301 1 9 . 1 1 35 35 GLU N N 35 120.651 120.651 118.687 1.964 17895 2302 1 9 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.185 0.028 17895 2303 1 9 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.776 1.817 17895 2304 1 9 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.136 0.616 17895 2305 1 9 . 1 1 35 35 GLU H H 35 8.592 8.592 8.121 0.471 17895 2306 1 9 . 1 1 36 36 LYS N N 36 115.995 115.995 118.622 -2.627 17895 2307 1 9 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.057 0.445 17895 2308 1 9 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.317 -2.033 17895 2309 1 9 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.392 -0.553 17895 2310 1 9 . 1 1 36 36 LYS H H 36 8.111 8.111 7.683 0.428 17895 2311 1 9 . 1 1 37 37 ASN N N 37 114.563 114.563 113.184 1.379 17895 2312 1 9 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.694 0.054 17895 2313 1 9 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.220 2.468 17895 2314 1 9 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.821 -1.017 17895 2315 1 9 . 1 1 37 37 ASN H H 37 8.223 8.223 8.252 -0.029 17895 2316 1 9 . 1 1 38 38 LYS N N 38 115.051 115.051 122.114 -7.063 17895 2317 1 9 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.190 0.231 17895 2318 1 9 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.184 0.812 17895 2319 1 9 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.877 0.260 17895 2320 1 9 . 1 1 38 38 LYS H H 38 8.734 8.734 8.420 0.314 17895 2321 1 9 . 1 1 39 39 TYR N N 39 116.976 116.976 118.872 -1.896 17895 2322 1 9 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.709 -0.100 17895 2323 1 9 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.173 0.204 17895 2324 1 9 . 1 1 39 39 TYR H H 39 7.089 7.089 8.041 -0.952 17895 2325 1 9 . 1 1 40 40 ASN N N 40 123.607 123.607 123.091 0.516 17895 2326 1 9 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.368 0.008 17895 2327 1 9 . 1 1 40 40 ASN H H 40 8.862 8.862 8.478 0.384 17895 2328 1 9 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.396 -0.607 17895 2329 1 9 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.582 0.888 17895 2330 1 9 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.319 0.142 17895 2331 1 9 . 1 1 42 42 SER N N 42 125.650 125.650 116.079 9.571 17895 2332 1 9 . 1 1 42 42 SER HA H 42 4.556 4.556 4.176 0.380 17895 2333 1 9 . 1 1 42 42 SER CA C 42 58.198 58.198 58.525 -0.327 17895 2334 1 9 . 1 1 42 42 SER H H 42 8.056 8.056 8.095 -0.039 17895 2335 1 9 . 1 1 43 43 LEU N N 43 120.689 120.689 123.656 -2.967 17895 2336 1 9 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.928 -0.015 17895 2337 1 9 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.577 0.668 17895 2338 1 9 . 1 1 43 43 LEU H H 43 9.296 9.296 8.706 0.590 17895 2339 1 9 . 1 1 44 44 GLN N N 44 115.960 115.960 119.891 -3.931 17895 2340 1 9 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.153 -0.456 17895 2341 1 9 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.856 2.016 17895 2342 1 9 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.568 0.582 17895 2343 1 9 . 1 1 44 44 GLN H H 44 8.915 8.915 8.446 0.469 17895 2344 1 9 . 1 1 45 45 LEU N N 45 119.431 119.431 120.264 -0.833 17895 2345 1 9 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.085 -0.193 17895 2346 1 9 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.610 -2.086 17895 2347 1 9 . 1 1 45 45 LEU H H 45 8.093 8.093 7.919 0.174 17895 2348 1 9 . 1 1 46 46 ALA N N 46 120.497 120.497 122.229 -1.732 17895 2349 1 9 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.984 0.050 17895 2350 1 9 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.325 1.176 17895 2351 1 9 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.212 2.441 17895 2352 1 9 . 1 1 46 46 ALA H H 46 8.512 8.512 8.721 -0.209 17895 2353 1 9 . 1 1 47 47 LEU N N 47 116.461 116.461 119.380 -2.919 17895 2354 1 9 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.801 0.413 17895 2355 1 9 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.224 0.177 17895 2356 1 9 . 1 1 47 47 LEU H H 47 8.675 8.675 8.767 -0.092 17895 2357 1 9 . 1 1 48 48 LYS N N 48 120.970 120.970 120.228 0.742 17895 2358 1 9 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.174 -0.594 17895 2359 1 9 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.037 0.690 17895 2360 1 9 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.368 0.800 17895 2361 1 9 . 1 1 48 48 LYS H H 48 8.053 8.053 8.566 -0.513 17895 2362 1 9 . 1 1 49 49 ILE N N 49 120.407 120.407 120.368 0.039 17895 2363 1 9 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.803 -0.205 17895 2364 1 9 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.505 2.597 17895 2365 1 9 . 1 1 49 49 ILE H H 49 8.783 8.783 8.373 0.410 17895 2366 1 9 . 1 1 50 50 ALA N N 50 120.445 120.445 123.453 -3.008 17895 2367 1 9 . 1 1 50 50 ALA HA H 50 4.070 4.070 3.987 0.083 17895 2368 1 9 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.230 1.170 17895 2369 1 9 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.133 0.772 17895 2370 1 9 . 1 1 50 50 ALA H H 50 8.182 8.182 8.775 -0.593 17895 2371 1 9 . 1 1 51 51 TYR N N 51 117.070 117.070 118.117 -1.047 17895 2372 1 9 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.127 0.226 17895 2373 1 9 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.482 -0.129 17895 2374 1 9 . 1 1 51 51 TYR H H 51 8.170 8.170 8.856 -0.686 17895 2375 1 9 . 1 1 52 52 TYR N N 52 118.548 118.548 118.745 -0.197 17895 2376 1 9 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.242 0.062 17895 2377 1 9 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.690 3.118 17895 2378 1 9 . 1 1 52 52 TYR H H 52 9.079 9.079 7.836 1.243 17895 2379 1 9 . 1 1 53 53 LEU N N 53 115.427 115.427 116.512 -1.085 17895 2380 1 9 . 1 1 53 53 LEU HA H 53 4.536 4.536 3.886 0.650 17895 2381 1 9 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.286 -1.242 17895 2382 1 9 . 1 1 53 53 LEU H H 53 8.417 8.417 8.339 0.078 17895 2383 1 9 . 1 1 54 54 ASN N N 54 122.105 122.105 113.128 8.977 17895 2384 1 9 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.390 0.059 17895 2385 1 9 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.688 0.003 17895 2386 1 9 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.088 1.543 17895 2387 1 9 . 1 1 54 54 ASN H H 54 8.090 8.090 8.377 -0.287 17895 2388 1 9 . 1 1 55 55 THR N N 55 114.929 114.929 114.494 0.435 17895 2389 1 9 . 1 1 55 55 THR HA H 55 4.933 4.933 4.696 0.237 17895 2390 1 9 . 1 1 55 55 THR CA C 55 60.962 60.962 59.192 1.770 17895 2391 1 9 . 1 1 55 55 THR CB C 55 75.743 75.743 70.890 4.853 17895 2392 1 9 . 1 1 55 55 THR H H 55 8.255 8.255 7.590 0.665 17895 2393 1 9 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.436 0.160 17895 2394 1 9 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.489 1.115 17895 2395 1 9 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.329 0.590 17895 2396 1 9 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.086 -0.016 17895 2397 1 9 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.157 2.466 17895 2398 1 9 . 1 1 58 58 GLU N N 58 123.143 123.143 117.926 5.217 17895 2399 1 9 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.314 0.560 17895 2400 1 9 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.220 0.279 17895 2401 1 9 . 1 1 58 58 GLU H H 58 9.365 9.365 8.444 0.921 17895 2402 1 9 . 1 1 59 59 ASP N N 59 117.681 117.681 118.269 -0.588 17895 2403 1 9 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.446 0.177 17895 2404 1 9 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.468 -0.006 17895 2405 1 9 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.696 0.195 17895 2406 1 9 . 1 1 59 59 ASP H H 59 8.014 8.014 7.588 0.426 17895 2407 1 9 . 1 1 60 60 ILE N N 60 119.519 119.519 112.693 6.826 17895 2408 1 9 . 1 1 60 60 ILE H H 60 8.209 8.209 7.430 0.779 17895 2409 1 9 . 1 1 61 61 PHE N N 61 115.960 115.960 120.295 -4.335 17895 2410 1 9 . 1 1 61 61 PHE H H 61 8.532 8.532 8.487 0.045 17895 2411 1 9 . 1 1 62 62 GLN N N 62 116.724 116.724 124.594 -7.870 17895 2412 1 9 . 1 1 62 62 GLN H H 62 8.752 8.752 8.938 -0.186 17895 2413 1 9 . 1 1 63 63 TRP N N 63 125.611 125.611 130.033 -4.422 17895 2414 1 9 . 1 1 63 63 TRP H H 63 9.476 9.476 8.911 0.565 17895 2415 1 9 . 1 1 64 64 GLN N N 64 127.087 127.087 126.210 0.877 17895 2416 1 9 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.416 -0.237 17895 2417 1 9 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.396 0.006 17895 2418 1 9 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.014 2.559 17895 2419 1 9 . 1 1 64 64 GLN H H 64 7.989 7.989 9.360 -1.371 17895 2420 1 9 . 1 1 65 65 PRO HA H 65 4.682 4.682 3.884 0.798 17895 2421 1 9 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.988 -1.474 17895 2422 1 10 . 1 1 2 2 ILE N N 2 123.202 123.202 122.462 0.740 17895 2423 1 10 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.129 -0.097 17895 2424 1 10 . 1 1 2 2 ILE H H 2 9.148 9.148 7.925 1.223 17895 2425 1 10 . 1 1 3 3 ILE N N 3 108.681 108.681 130.409 -21.728 17895 2426 1 10 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.800 0.630 17895 2427 1 10 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.661 -1.750 17895 2428 1 10 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.470 2.085 17895 2429 1 10 . 1 1 3 3 ILE H H 3 9.416 9.416 7.966 1.450 17895 2430 1 10 . 1 1 4 4 ASN N N 4 123.966 123.966 113.777 10.189 17895 2431 1 10 . 1 1 4 4 ASN H H 4 9.081 9.081 8.790 0.291 17895 2432 1 10 . 1 1 5 5 ASN N N 5 120.745 120.745 116.855 3.890 17895 2433 1 10 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.499 0.930 17895 2434 1 10 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.962 -0.606 17895 2435 1 10 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.568 4.145 17895 2436 1 10 . 1 1 5 5 ASN H H 5 9.369 9.369 8.388 0.981 17895 2437 1 10 . 1 1 6 6 LEU N N 6 120.594 120.594 123.482 -2.888 17895 2438 1 10 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.965 -0.199 17895 2439 1 10 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.899 2.700 17895 2440 1 10 . 1 1 6 6 LEU H H 6 8.538 8.538 8.544 -0.006 17895 2441 1 10 . 1 1 7 7 LYS N N 7 118.177 118.177 118.775 -0.598 17895 2442 1 10 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.041 -0.133 17895 2443 1 10 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.430 1.876 17895 2444 1 10 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.510 1.693 17895 2445 1 10 . 1 1 7 7 LYS H H 7 8.940 8.940 9.145 -0.205 17895 2446 1 10 . 1 1 8 8 LEU N N 8 116.356 116.356 120.411 -4.055 17895 2447 1 10 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.158 0.014 17895 2448 1 10 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.496 0.794 17895 2449 1 10 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.580 2.348 17895 2450 1 10 . 1 1 8 8 LEU H H 8 7.687 7.687 8.257 -0.570 17895 2451 1 10 . 1 1 9 9 ILE N N 9 119.134 119.134 118.913 0.221 17895 2452 1 10 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.653 0.160 17895 2453 1 10 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.477 -1.619 17895 2454 1 10 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.468 0.362 17895 2455 1 10 . 1 1 9 9 ILE H H 9 8.225 8.225 7.372 0.853 17895 2456 1 10 . 1 1 10 10 ARG N N 10 120.162 120.162 120.780 -0.618 17895 2457 1 10 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.868 0.011 17895 2458 1 10 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.686 1.982 17895 2459 1 10 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.804 -0.405 17895 2460 1 10 . 1 1 10 10 ARG H H 10 9.259 9.259 8.381 0.878 17895 2461 1 10 . 1 1 11 11 GLU N N 11 115.878 115.878 119.781 -3.903 17895 2462 1 10 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.016 0.156 17895 2463 1 10 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.452 0.834 17895 2464 1 10 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.265 0.549 17895 2465 1 10 . 1 1 11 11 GLU H H 11 8.703 8.703 8.961 -0.258 17895 2466 1 10 . 1 1 12 12 LYS N N 12 122.935 122.935 121.070 1.865 17895 2467 1 10 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.015 0.191 17895 2468 1 10 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.097 1.178 17895 2469 1 10 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.592 0.306 17895 2470 1 10 . 1 1 12 12 LYS H H 12 8.256 8.256 8.452 -0.196 17895 2471 1 10 . 1 1 13 13 LYS N N 13 116.350 116.350 114.642 1.708 17895 2472 1 10 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.385 -0.089 17895 2473 1 10 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.634 0.297 17895 2474 1 10 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.753 -0.304 17895 2475 1 10 . 1 1 13 13 LYS H H 13 7.813 7.813 7.907 -0.094 17895 2476 1 10 . 1 1 14 14 LYS N N 14 115.317 115.317 116.952 -1.635 17895 2477 1 10 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.965 -0.002 17895 2478 1 10 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.787 1.001 17895 2479 1 10 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.693 -0.645 17895 2480 1 10 . 1 1 14 14 LYS H H 14 8.068 8.068 7.862 0.206 17895 2481 1 10 . 1 1 15 15 ILE N N 15 118.373 118.373 120.779 -2.406 17895 2482 1 10 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.165 0.447 17895 2483 1 10 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.685 0.373 17895 2484 1 10 . 1 1 15 15 ILE CB C 15 41.796 41.796 39.993 1.803 17895 2485 1 10 . 1 1 15 15 ILE H H 15 7.573 7.573 8.626 -1.053 17895 2486 1 10 . 1 1 16 16 SER N N 16 125.057 125.057 122.980 2.077 17895 2487 1 10 . 1 1 16 16 SER HA H 16 4.566 4.566 4.596 -0.030 17895 2488 1 10 . 1 1 16 16 SER CA C 16 57.781 57.781 58.843 -1.062 17895 2489 1 10 . 1 1 16 16 SER H H 16 9.457 9.457 9.751 -0.294 17895 2490 1 10 . 1 1 17 17 GLN N N 17 120.197 120.197 125.099 -4.902 17895 2491 1 10 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.077 -0.299 17895 2492 1 10 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.766 2.896 17895 2493 1 10 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.350 1.311 17895 2494 1 10 . 1 1 17 17 GLN H H 17 9.544 9.544 9.019 0.525 17895 2495 1 10 . 1 1 18 18 SER N N 18 112.998 112.998 115.444 -2.446 17895 2496 1 10 . 1 1 18 18 SER H H 18 8.985 8.985 8.686 0.299 17895 2497 1 10 . 1 1 19 19 GLU N N 19 124.112 124.112 121.699 2.413 17895 2498 1 10 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.076 0.030 17895 2499 1 10 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.783 0.730 17895 2500 1 10 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.902 1.537 17895 2501 1 10 . 1 1 19 19 GLU H H 19 8.349 8.349 8.461 -0.112 17895 2502 1 10 . 1 1 20 20 LEU N N 20 119.955 119.955 121.847 -1.892 17895 2503 1 10 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.916 0.210 17895 2504 1 10 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.330 0.062 17895 2505 1 10 . 1 1 20 20 LEU H H 20 8.321 8.321 7.663 0.658 17895 2506 1 10 . 1 1 21 21 ALA N N 21 119.830 119.830 120.983 -1.153 17895 2507 1 10 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.919 -0.210 17895 2508 1 10 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.048 1.224 17895 2509 1 10 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.035 -0.300 17895 2510 1 10 . 1 1 21 21 ALA H H 21 8.595 8.595 8.515 0.080 17895 2511 1 10 . 1 1 22 22 ALA N N 22 117.258 117.258 121.209 -3.951 17895 2512 1 10 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.981 0.282 17895 2513 1 10 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.791 0.718 17895 2514 1 10 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.459 0.072 17895 2515 1 10 . 1 1 22 22 ALA H H 22 7.818 7.818 7.823 -0.005 17895 2516 1 10 . 1 1 23 23 LEU N N 23 118.586 118.586 118.191 0.395 17895 2517 1 10 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.714 0.246 17895 2518 1 10 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.135 0.866 17895 2519 1 10 . 1 1 23 23 LEU H H 23 7.537 7.537 7.593 -0.056 17895 2520 1 10 . 1 1 24 24 LEU N N 24 114.488 114.488 114.835 -0.347 17895 2521 1 10 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.236 0.027 17895 2522 1 10 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.043 -0.349 17895 2523 1 10 . 1 1 24 24 LEU H H 24 7.448 7.448 7.875 -0.427 17895 2524 1 10 . 1 1 25 25 GLU N N 25 114.895 114.895 113.189 1.706 17895 2525 1 10 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.031 -0.066 17895 2526 1 10 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.207 0.841 17895 2527 1 10 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.612 0.281 17895 2528 1 10 . 1 1 25 25 GLU H H 25 8.028 8.028 7.922 0.106 17895 2529 1 10 . 1 1 26 26 VAL N N 26 109.697 109.697 112.801 -3.104 17895 2530 1 10 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.587 0.286 17895 2531 1 10 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.131 0.050 17895 2532 1 10 . 1 1 26 26 VAL H H 26 7.990 7.990 7.586 0.404 17895 2533 1 10 . 1 1 27 27 SER N N 27 114.369 114.369 117.550 -3.181 17895 2534 1 10 . 1 1 27 27 SER HA H 27 4.643 4.643 4.560 0.083 17895 2535 1 10 . 1 1 27 27 SER CA C 27 57.345 57.345 58.519 -1.174 17895 2536 1 10 . 1 1 27 27 SER CB C 27 63.110 63.110 64.459 -1.349 17895 2537 1 10 . 1 1 27 27 SER H H 27 8.633 8.633 8.563 0.070 17895 2538 1 10 . 1 1 28 28 ARG N N 28 115.276 115.276 126.696 -11.420 17895 2539 1 10 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.922 -0.194 17895 2540 1 10 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.582 0.176 17895 2541 1 10 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.091 -0.141 17895 2542 1 10 . 1 1 28 28 ARG H H 28 8.236 8.236 9.025 -0.789 17895 2543 1 10 . 1 1 29 29 GLN N N 29 117.309 117.309 116.737 0.572 17895 2544 1 10 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.074 0.079 17895 2545 1 10 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.029 0.984 17895 2546 1 10 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.783 0.685 17895 2547 1 10 . 1 1 29 29 GLN H H 29 8.835 8.835 8.867 -0.032 17895 2548 1 10 . 1 1 30 30 THR N N 30 119.984 119.984 115.934 4.050 17895 2549 1 10 . 1 1 30 30 THR HA H 30 4.418 4.418 4.063 0.355 17895 2550 1 10 . 1 1 30 30 THR CA C 30 68.600 68.600 65.731 2.869 17895 2551 1 10 . 1 1 30 30 THR CB C 30 67.556 67.556 68.720 -1.164 17895 2552 1 10 . 1 1 30 30 THR H H 30 8.136 8.136 7.319 0.818 17895 2553 1 10 . 1 1 31 31 ILE N N 31 118.828 118.828 121.512 -2.684 17895 2554 1 10 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.869 -0.084 17895 2555 1 10 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.290 -1.361 17895 2556 1 10 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.313 -1.336 17895 2557 1 10 . 1 1 31 31 ILE H H 31 7.162 7.162 8.172 -1.010 17895 2558 1 10 . 1 1 32 32 ASN N N 32 118.028 118.028 117.186 0.842 17895 2559 1 10 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.804 -0.474 17895 2560 1 10 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.849 3.346 17895 2561 1 10 . 1 1 32 32 ASN CB C 32 40.145 40.145 38.687 1.458 17895 2562 1 10 . 1 1 32 32 ASN H H 32 8.668 8.668 8.831 -0.163 17895 2563 1 10 . 1 1 33 33 GLY N N 33 124.941 124.941 109.945 14.996 17895 2564 1 10 . 1 1 33 33 GLY H H 33 8.656 8.656 8.150 0.506 17895 2565 1 10 . 1 1 34 34 ILE N N 34 122.198 122.198 122.376 -0.178 17895 2566 1 10 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.802 0.482 17895 2567 1 10 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.999 0.541 17895 2568 1 10 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.917 1.269 17895 2569 1 10 . 1 1 34 34 ILE H H 34 8.205 8.205 7.546 0.659 17895 2570 1 10 . 1 1 35 35 GLU N N 35 120.651 120.651 117.632 3.019 17895 2571 1 10 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.231 -0.018 17895 2572 1 10 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.151 2.441 17895 2573 1 10 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.263 0.489 17895 2574 1 10 . 1 1 35 35 GLU H H 35 8.592 8.592 8.291 0.301 17895 2575 1 10 . 1 1 36 36 LYS N N 36 115.995 115.995 118.910 -2.915 17895 2576 1 10 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.139 0.363 17895 2577 1 10 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.753 -1.469 17895 2578 1 10 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.763 0.076 17895 2579 1 10 . 1 1 36 36 LYS H H 36 8.111 8.111 7.581 0.530 17895 2580 1 10 . 1 1 37 37 ASN N N 37 114.563 114.563 115.588 -1.025 17895 2581 1 10 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.751 -0.003 17895 2582 1 10 . 1 1 37 37 ASN CA C 37 55.688 55.688 52.611 3.077 17895 2583 1 10 . 1 1 37 37 ASN CB C 37 37.804 37.804 40.270 -2.466 17895 2584 1 10 . 1 1 37 37 ASN H H 37 8.223 8.223 8.443 -0.220 17895 2585 1 10 . 1 1 38 38 LYS N N 38 115.051 115.051 118.883 -3.832 17895 2586 1 10 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.621 -0.200 17895 2587 1 10 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.021 1.975 17895 2588 1 10 . 1 1 38 38 LYS CB C 38 34.136 34.136 34.996 -0.860 17895 2589 1 10 . 1 1 38 38 LYS H H 38 8.734 8.734 7.786 0.948 17895 2590 1 10 . 1 1 39 39 TYR N N 39 116.976 116.976 114.771 2.205 17895 2591 1 10 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.390 0.219 17895 2592 1 10 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.720 -0.343 17895 2593 1 10 . 1 1 39 39 TYR H H 39 7.089 7.089 8.441 -1.352 17895 2594 1 10 . 1 1 40 40 ASN N N 40 123.607 123.607 120.847 2.760 17895 2595 1 10 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.834 0.542 17895 2596 1 10 . 1 1 40 40 ASN H H 40 8.862 8.862 8.466 0.396 17895 2597 1 10 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.443 -0.654 17895 2598 1 10 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.480 0.990 17895 2599 1 10 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.488 -0.027 17895 2600 1 10 . 1 1 42 42 SER N N 42 125.650 125.650 115.068 10.582 17895 2601 1 10 . 1 1 42 42 SER HA H 42 4.556 4.556 4.254 0.302 17895 2602 1 10 . 1 1 42 42 SER CA C 42 58.198 58.198 57.920 0.278 17895 2603 1 10 . 1 1 42 42 SER H H 42 8.056 8.056 8.165 -0.109 17895 2604 1 10 . 1 1 43 43 LEU N N 43 120.689 120.689 124.411 -3.722 17895 2605 1 10 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.960 -0.047 17895 2606 1 10 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.378 0.867 17895 2607 1 10 . 1 1 43 43 LEU H H 43 9.296 9.296 8.679 0.617 17895 2608 1 10 . 1 1 44 44 GLN N N 44 115.960 115.960 119.186 -3.226 17895 2609 1 10 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.061 -0.364 17895 2610 1 10 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.214 1.659 17895 2611 1 10 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.290 0.860 17895 2612 1 10 . 1 1 44 44 GLN H H 44 8.915 8.915 8.586 0.329 17895 2613 1 10 . 1 1 45 45 LEU N N 45 119.431 119.431 119.927 -0.496 17895 2614 1 10 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.122 -0.230 17895 2615 1 10 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.795 -2.271 17895 2616 1 10 . 1 1 45 45 LEU H H 45 8.093 8.093 8.011 0.082 17895 2617 1 10 . 1 1 46 46 ALA N N 46 120.497 120.497 122.681 -2.184 17895 2618 1 10 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.159 -0.125 17895 2619 1 10 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.455 1.046 17895 2620 1 10 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.112 2.541 17895 2621 1 10 . 1 1 46 46 ALA H H 46 8.512 8.512 8.487 0.025 17895 2622 1 10 . 1 1 47 47 LEU N N 47 116.461 116.461 118.920 -2.459 17895 2623 1 10 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.837 0.377 17895 2624 1 10 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.274 0.127 17895 2625 1 10 . 1 1 47 47 LEU H H 47 8.675 8.675 8.990 -0.315 17895 2626 1 10 . 1 1 48 48 LYS N N 48 120.970 120.970 120.317 0.653 17895 2627 1 10 . 1 1 48 48 LYS HA H 48 3.580 3.580 3.944 -0.364 17895 2628 1 10 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.979 0.748 17895 2629 1 10 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.466 0.702 17895 2630 1 10 . 1 1 48 48 LYS H H 48 8.053 8.053 8.287 -0.234 17895 2631 1 10 . 1 1 49 49 ILE N N 49 120.407 120.407 120.690 -0.283 17895 2632 1 10 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.803 -0.205 17895 2633 1 10 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.206 2.896 17895 2634 1 10 . 1 1 49 49 ILE H H 49 8.783 8.783 8.638 0.145 17895 2635 1 10 . 1 1 50 50 ALA N N 50 120.445 120.445 123.442 -2.997 17895 2636 1 10 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.193 -0.123 17895 2637 1 10 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.078 1.322 17895 2638 1 10 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.474 0.431 17895 2639 1 10 . 1 1 50 50 ALA H H 50 8.182 8.182 8.889 -0.707 17895 2640 1 10 . 1 1 51 51 TYR N N 51 117.070 117.070 120.024 -2.954 17895 2641 1 10 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.068 0.285 17895 2642 1 10 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.677 0.676 17895 2643 1 10 . 1 1 51 51 TYR H H 51 8.170 8.170 8.756 -0.586 17895 2644 1 10 . 1 1 52 52 TYR N N 52 118.548 118.548 115.404 3.144 17895 2645 1 10 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.179 0.125 17895 2646 1 10 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.818 2.990 17895 2647 1 10 . 1 1 52 52 TYR H H 52 9.079 9.079 8.140 0.939 17895 2648 1 10 . 1 1 53 53 LEU N N 53 115.427 115.427 117.983 -2.556 17895 2649 1 10 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.142 0.394 17895 2650 1 10 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.319 -1.275 17895 2651 1 10 . 1 1 53 53 LEU H H 53 8.417 8.417 8.557 -0.140 17895 2652 1 10 . 1 1 54 54 ASN N N 54 122.105 122.105 116.920 5.185 17895 2653 1 10 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.422 0.027 17895 2654 1 10 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.440 0.251 17895 2655 1 10 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.661 1.970 17895 2656 1 10 . 1 1 54 54 ASN H H 54 8.090 8.090 8.521 -0.431 17895 2657 1 10 . 1 1 55 55 THR N N 55 114.929 114.929 115.164 -0.235 17895 2658 1 10 . 1 1 55 55 THR HA H 55 4.933 4.933 4.732 0.201 17895 2659 1 10 . 1 1 55 55 THR CA C 55 60.962 60.962 59.990 0.972 17895 2660 1 10 . 1 1 55 55 THR CB C 55 75.743 75.743 72.071 3.672 17895 2661 1 10 . 1 1 55 55 THR H H 55 8.255 8.255 7.911 0.344 17895 2662 1 10 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.513 0.083 17895 2663 1 10 . 1 1 56 56 PRO CA C 56 63.604 63.604 63.120 0.484 17895 2664 1 10 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.320 0.599 17895 2665 1 10 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.143 -0.073 17895 2666 1 10 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.796 1.826 17895 2667 1 10 . 1 1 58 58 GLU N N 58 123.143 123.143 118.640 4.503 17895 2668 1 10 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.120 0.754 17895 2669 1 10 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.719 -0.220 17895 2670 1 10 . 1 1 58 58 GLU H H 58 9.365 9.365 8.830 0.535 17895 2671 1 10 . 1 1 59 59 ASP N N 59 117.681 117.681 118.254 -0.573 17895 2672 1 10 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.480 0.143 17895 2673 1 10 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.684 -0.222 17895 2674 1 10 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.684 0.207 17895 2675 1 10 . 1 1 59 59 ASP H H 59 8.014 8.014 7.627 0.387 17895 2676 1 10 . 1 1 60 60 ILE N N 60 119.519 119.519 113.153 6.366 17895 2677 1 10 . 1 1 60 60 ILE H H 60 8.209 8.209 7.646 0.563 17895 2678 1 10 . 1 1 61 61 PHE N N 61 115.960 115.960 118.502 -2.542 17895 2679 1 10 . 1 1 61 61 PHE H H 61 8.532 8.532 8.482 0.050 17895 2680 1 10 . 1 1 62 62 GLN N N 62 116.724 116.724 120.923 -4.199 17895 2681 1 10 . 1 1 62 62 GLN H H 62 8.752 8.752 7.711 1.041 17895 2682 1 10 . 1 1 63 63 TRP N N 63 125.611 125.611 127.986 -2.375 17895 2683 1 10 . 1 1 63 63 TRP H H 63 9.476 9.476 8.435 1.041 17895 2684 1 10 . 1 1 64 64 GLN N N 64 127.087 127.087 127.616 -0.529 17895 2685 1 10 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.615 -0.436 17895 2686 1 10 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.882 -0.480 17895 2687 1 10 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.613 2.960 17895 2688 1 10 . 1 1 64 64 GLN H H 64 7.989 7.989 8.928 -0.939 17895 2689 1 10 . 1 1 65 65 PRO HA H 65 4.682 4.682 3.579 1.103 17895 2690 1 10 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.548 -1.034 17895 2691 1 11 . 1 1 2 2 ILE N N 2 123.202 123.202 122.523 0.679 17895 2692 1 11 . 1 1 2 2 ILE CB C 2 40.032 40.032 36.927 3.105 17895 2693 1 11 . 1 1 2 2 ILE H H 2 9.148 9.148 7.845 1.303 17895 2694 1 11 . 1 1 3 3 ILE N N 3 108.681 108.681 127.073 -18.392 17895 2695 1 11 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.852 0.578 17895 2696 1 11 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.243 -1.332 17895 2697 1 11 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.824 1.731 17895 2698 1 11 . 1 1 3 3 ILE H H 3 9.416 9.416 8.769 0.647 17895 2699 1 11 . 1 1 4 4 ASN N N 4 123.966 123.966 110.777 13.189 17895 2700 1 11 . 1 1 4 4 ASN H H 4 9.081 9.081 8.677 0.404 17895 2701 1 11 . 1 1 5 5 ASN N N 5 120.745 120.745 113.803 6.942 17895 2702 1 11 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.433 0.996 17895 2703 1 11 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.137 -0.781 17895 2704 1 11 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.547 4.166 17895 2705 1 11 . 1 1 5 5 ASN H H 5 9.369 9.369 8.174 1.195 17895 2706 1 11 . 1 1 6 6 LEU N N 6 120.594 120.594 122.716 -2.122 17895 2707 1 11 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.795 -0.029 17895 2708 1 11 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.856 2.743 17895 2709 1 11 . 1 1 6 6 LEU H H 6 8.538 8.538 7.782 0.756 17895 2710 1 11 . 1 1 7 7 LYS N N 7 118.177 118.177 118.381 -0.204 17895 2711 1 11 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.959 -0.051 17895 2712 1 11 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.152 2.154 17895 2713 1 11 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.062 2.141 17895 2714 1 11 . 1 1 7 7 LYS H H 7 8.940 8.940 7.520 1.420 17895 2715 1 11 . 1 1 8 8 LEU N N 8 116.356 116.356 120.762 -4.406 17895 2716 1 11 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.069 0.103 17895 2717 1 11 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.109 1.181 17895 2718 1 11 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.635 2.293 17895 2719 1 11 . 1 1 8 8 LEU H H 8 7.687 7.687 7.579 0.108 17895 2720 1 11 . 1 1 9 9 ILE N N 9 119.134 119.134 119.282 -0.148 17895 2721 1 11 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.667 0.146 17895 2722 1 11 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.528 0.330 17895 2723 1 11 . 1 1 9 9 ILE CB C 9 37.830 37.830 36.298 1.532 17895 2724 1 11 . 1 1 9 9 ILE H H 9 8.225 8.225 7.919 0.306 17895 2725 1 11 . 1 1 10 10 ARG N N 10 120.162 120.162 121.161 -0.999 17895 2726 1 11 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.867 0.012 17895 2727 1 11 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.563 2.105 17895 2728 1 11 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.260 -0.861 17895 2729 1 11 . 1 1 10 10 ARG H H 10 9.259 9.259 8.844 0.415 17895 2730 1 11 . 1 1 11 11 GLU N N 11 115.878 115.878 118.154 -2.276 17895 2731 1 11 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.112 0.060 17895 2732 1 11 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.779 1.508 17895 2733 1 11 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.798 1.016 17895 2734 1 11 . 1 1 11 11 GLU H H 11 8.703 8.703 8.696 0.007 17895 2735 1 11 . 1 1 12 12 LYS N N 12 122.935 122.935 121.706 1.229 17895 2736 1 11 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.019 0.187 17895 2737 1 11 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.105 1.170 17895 2738 1 11 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.444 0.454 17895 2739 1 11 . 1 1 12 12 LYS H H 12 8.256 8.256 7.782 0.474 17895 2740 1 11 . 1 1 13 13 LYS N N 13 116.350 116.350 115.228 1.122 17895 2741 1 11 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.393 -0.097 17895 2742 1 11 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.485 0.446 17895 2743 1 11 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.624 -0.175 17895 2744 1 11 . 1 1 13 13 LYS H H 13 7.813 7.813 7.493 0.320 17895 2745 1 11 . 1 1 14 14 LYS N N 14 115.317 115.317 115.586 -0.269 17895 2746 1 11 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.949 0.014 17895 2747 1 11 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.716 1.072 17895 2748 1 11 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.532 -0.484 17895 2749 1 11 . 1 1 14 14 LYS H H 14 8.068 8.068 7.864 0.204 17895 2750 1 11 . 1 1 15 15 ILE N N 15 118.373 118.373 119.921 -1.548 17895 2751 1 11 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.397 0.215 17895 2752 1 11 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.030 1.028 17895 2753 1 11 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.952 3.845 17895 2754 1 11 . 1 1 15 15 ILE H H 15 7.573 7.573 8.472 -0.899 17895 2755 1 11 . 1 1 16 16 SER N N 16 125.057 125.057 121.364 3.693 17895 2756 1 11 . 1 1 16 16 SER HA H 16 4.566 4.566 4.671 -0.105 17895 2757 1 11 . 1 1 16 16 SER CA C 16 57.781 57.781 56.695 1.086 17895 2758 1 11 . 1 1 16 16 SER H H 16 9.457 9.457 9.583 -0.126 17895 2759 1 11 . 1 1 17 17 GLN N N 17 120.197 120.197 127.488 -7.291 17895 2760 1 11 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.090 -0.312 17895 2761 1 11 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.315 3.347 17895 2762 1 11 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.368 1.293 17895 2763 1 11 . 1 1 17 17 GLN H H 17 9.544 9.544 9.137 0.407 17895 2764 1 11 . 1 1 18 18 SER N N 18 112.998 112.998 115.724 -2.726 17895 2765 1 11 . 1 1 18 18 SER H H 18 8.985 8.985 8.154 0.831 17895 2766 1 11 . 1 1 19 19 GLU N N 19 124.112 124.112 122.058 2.054 17895 2767 1 11 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.053 0.053 17895 2768 1 11 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.603 0.910 17895 2769 1 11 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.473 0.966 17895 2770 1 11 . 1 1 19 19 GLU H H 19 8.349 8.349 7.718 0.631 17895 2771 1 11 . 1 1 20 20 LEU N N 20 119.955 119.955 121.822 -1.867 17895 2772 1 11 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.899 0.227 17895 2773 1 11 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.071 0.321 17895 2774 1 11 . 1 1 20 20 LEU H H 20 8.321 8.321 8.581 -0.260 17895 2775 1 11 . 1 1 21 21 ALA N N 21 119.830 119.830 120.874 -1.044 17895 2776 1 11 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.907 -0.198 17895 2777 1 11 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.061 1.211 17895 2778 1 11 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.015 -0.280 17895 2779 1 11 . 1 1 21 21 ALA H H 21 8.595 8.595 8.842 -0.247 17895 2780 1 11 . 1 1 22 22 ALA N N 22 117.258 117.258 121.310 -4.052 17895 2781 1 11 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.981 0.282 17895 2782 1 11 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.735 0.774 17895 2783 1 11 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.452 0.078 17895 2784 1 11 . 1 1 22 22 ALA H H 22 7.818 7.818 7.526 0.292 17895 2785 1 11 . 1 1 23 23 LEU N N 23 118.586 118.586 118.132 0.454 17895 2786 1 11 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.727 0.233 17895 2787 1 11 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.086 0.914 17895 2788 1 11 . 1 1 23 23 LEU H H 23 7.537 7.537 7.688 -0.151 17895 2789 1 11 . 1 1 24 24 LEU N N 24 114.488 114.488 114.656 -0.168 17895 2790 1 11 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.202 0.061 17895 2791 1 11 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.061 -0.367 17895 2792 1 11 . 1 1 24 24 LEU H H 24 7.448 7.448 7.853 -0.405 17895 2793 1 11 . 1 1 25 25 GLU N N 25 114.895 114.895 113.136 1.759 17895 2794 1 11 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.035 -0.070 17895 2795 1 11 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.264 0.784 17895 2796 1 11 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.821 0.072 17895 2797 1 11 . 1 1 25 25 GLU H H 25 8.028 8.028 7.831 0.197 17895 2798 1 11 . 1 1 26 26 VAL N N 26 109.697 109.697 113.169 -3.472 17895 2799 1 11 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.605 0.268 17895 2800 1 11 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.472 -0.291 17895 2801 1 11 . 1 1 26 26 VAL H H 26 7.990 7.990 7.584 0.406 17895 2802 1 11 . 1 1 27 27 SER N N 27 114.369 114.369 116.690 -2.321 17895 2803 1 11 . 1 1 27 27 SER HA H 27 4.643 4.643 4.531 0.112 17895 2804 1 11 . 1 1 27 27 SER CA C 27 57.345 57.345 57.683 -0.338 17895 2805 1 11 . 1 1 27 27 SER CB C 27 63.110 63.110 65.175 -2.065 17895 2806 1 11 . 1 1 27 27 SER H H 27 8.633 8.633 8.387 0.246 17895 2807 1 11 . 1 1 28 28 ARG N N 28 115.276 115.276 124.851 -9.575 17895 2808 1 11 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.922 -0.194 17895 2809 1 11 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.207 0.551 17895 2810 1 11 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.899 0.051 17895 2811 1 11 . 1 1 28 28 ARG H H 28 8.236 8.236 9.001 -0.765 17895 2812 1 11 . 1 1 29 29 GLN N N 29 117.309 117.309 117.509 -0.200 17895 2813 1 11 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.176 -0.023 17895 2814 1 11 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.261 0.752 17895 2815 1 11 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.793 0.675 17895 2816 1 11 . 1 1 29 29 GLN H H 29 8.835 8.835 8.748 0.087 17895 2817 1 11 . 1 1 30 30 THR N N 30 119.984 119.984 117.238 2.746 17895 2818 1 11 . 1 1 30 30 THR HA H 30 4.418 4.418 3.981 0.437 17895 2819 1 11 . 1 1 30 30 THR CA C 30 68.600 68.600 66.230 2.370 17895 2820 1 11 . 1 1 30 30 THR CB C 30 67.556 67.556 68.804 -1.248 17895 2821 1 11 . 1 1 30 30 THR H H 30 8.136 8.136 7.587 0.549 17895 2822 1 11 . 1 1 31 31 ILE N N 31 118.828 118.828 121.380 -2.552 17895 2823 1 11 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.797 -0.012 17895 2824 1 11 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.301 -1.372 17895 2825 1 11 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.092 -1.115 17895 2826 1 11 . 1 1 31 31 ILE H H 31 7.162 7.162 7.774 -0.612 17895 2827 1 11 . 1 1 32 32 ASN N N 32 118.028 118.028 118.137 -0.109 17895 2828 1 11 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.676 -0.346 17895 2829 1 11 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.426 2.769 17895 2830 1 11 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.410 2.736 17895 2831 1 11 . 1 1 32 32 ASN H H 32 8.668 8.668 9.053 -0.385 17895 2832 1 11 . 1 1 33 33 GLY N N 33 124.941 124.941 109.099 15.842 17895 2833 1 11 . 1 1 33 33 GLY H H 33 8.656 8.656 7.899 0.757 17895 2834 1 11 . 1 1 34 34 ILE N N 34 122.198 122.198 123.411 -1.213 17895 2835 1 11 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.828 0.456 17895 2836 1 11 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.344 1.196 17895 2837 1 11 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.420 1.766 17895 2838 1 11 . 1 1 34 34 ILE H H 34 8.205 8.205 7.175 1.030 17895 2839 1 11 . 1 1 35 35 GLU N N 35 120.651 120.651 119.499 1.152 17895 2840 1 11 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.283 -0.070 17895 2841 1 11 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.039 1.553 17895 2842 1 11 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.050 0.702 17895 2843 1 11 . 1 1 35 35 GLU H H 35 8.592 8.592 8.105 0.487 17895 2844 1 11 . 1 1 36 36 LYS N N 36 115.995 115.995 119.848 -3.853 17895 2845 1 11 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.125 0.377 17895 2846 1 11 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.335 -2.051 17895 2847 1 11 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.299 -0.460 17895 2848 1 11 . 1 1 36 36 LYS H H 36 8.111 8.111 7.556 0.555 17895 2849 1 11 . 1 1 37 37 ASN N N 37 114.563 114.563 114.725 -0.162 17895 2850 1 11 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.717 0.031 17895 2851 1 11 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.184 2.504 17895 2852 1 11 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.114 -1.310 17895 2853 1 11 . 1 1 37 37 ASN H H 37 8.223 8.223 8.464 -0.241 17895 2854 1 11 . 1 1 38 38 LYS N N 38 115.051 115.051 121.657 -6.606 17895 2855 1 11 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.222 0.199 17895 2856 1 11 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.847 2.149 17895 2857 1 11 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.157 -1.021 17895 2858 1 11 . 1 1 38 38 LYS H H 38 8.734 8.734 7.900 0.834 17895 2859 1 11 . 1 1 39 39 TYR N N 39 116.976 116.976 118.911 -1.935 17895 2860 1 11 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.474 0.135 17895 2861 1 11 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.325 0.052 17895 2862 1 11 . 1 1 39 39 TYR H H 39 7.089 7.089 7.361 -0.272 17895 2863 1 11 . 1 1 40 40 ASN N N 40 123.607 123.607 119.677 3.930 17895 2864 1 11 . 1 1 40 40 ASN CB C 40 39.376 39.376 37.917 1.458 17895 2865 1 11 . 1 1 40 40 ASN H H 40 8.862 8.862 8.434 0.428 17895 2866 1 11 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.378 -0.589 17895 2867 1 11 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.794 0.677 17895 2868 1 11 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.111 0.350 17895 2869 1 11 . 1 1 42 42 SER N N 42 125.650 125.650 115.943 9.707 17895 2870 1 11 . 1 1 42 42 SER HA H 42 4.556 4.556 4.227 0.329 17895 2871 1 11 . 1 1 42 42 SER CA C 42 58.198 58.198 58.323 -0.125 17895 2872 1 11 . 1 1 42 42 SER H H 42 8.056 8.056 8.323 -0.267 17895 2873 1 11 . 1 1 43 43 LEU N N 43 120.689 120.689 125.344 -4.655 17895 2874 1 11 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.065 -0.152 17895 2875 1 11 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.394 0.851 17895 2876 1 11 . 1 1 43 43 LEU H H 43 9.296 9.296 8.795 0.501 17895 2877 1 11 . 1 1 44 44 GLN N N 44 115.960 115.960 119.266 -3.306 17895 2878 1 11 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.113 -0.416 17895 2879 1 11 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.006 1.866 17895 2880 1 11 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.395 0.754 17895 2881 1 11 . 1 1 44 44 GLN H H 44 8.915 8.915 8.549 0.366 17895 2882 1 11 . 1 1 45 45 LEU N N 45 119.431 119.431 120.421 -0.990 17895 2883 1 11 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.091 -0.199 17895 2884 1 11 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.737 -2.213 17895 2885 1 11 . 1 1 45 45 LEU H H 45 8.093 8.093 8.047 0.046 17895 2886 1 11 . 1 1 46 46 ALA N N 46 120.497 120.497 122.751 -2.254 17895 2887 1 11 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.994 0.040 17895 2888 1 11 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.477 1.024 17895 2889 1 11 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.207 2.446 17895 2890 1 11 . 1 1 46 46 ALA H H 46 8.512 8.512 8.897 -0.385 17895 2891 1 11 . 1 1 47 47 LEU N N 47 116.461 116.461 118.950 -2.489 17895 2892 1 11 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.892 0.322 17895 2893 1 11 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.070 0.331 17895 2894 1 11 . 1 1 47 47 LEU H H 47 8.675 8.675 8.834 -0.159 17895 2895 1 11 . 1 1 48 48 LYS N N 48 120.970 120.970 120.298 0.672 17895 2896 1 11 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.097 -0.517 17895 2897 1 11 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.027 0.700 17895 2898 1 11 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.427 0.741 17895 2899 1 11 . 1 1 48 48 LYS H H 48 8.053 8.053 8.375 -0.322 17895 2900 1 11 . 1 1 49 49 ILE N N 49 120.407 120.407 120.655 -0.248 17895 2901 1 11 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.742 -0.144 17895 2902 1 11 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.622 2.480 17895 2903 1 11 . 1 1 49 49 ILE H H 49 8.783 8.783 8.635 0.148 17895 2904 1 11 . 1 1 50 50 ALA N N 50 120.445 120.445 123.389 -2.944 17895 2905 1 11 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.364 -0.294 17895 2906 1 11 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.992 1.407 17895 2907 1 11 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.520 0.385 17895 2908 1 11 . 1 1 50 50 ALA H H 50 8.182 8.182 8.845 -0.663 17895 2909 1 11 . 1 1 51 51 TYR N N 51 117.070 117.070 120.251 -3.181 17895 2910 1 11 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.106 0.247 17895 2911 1 11 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.168 0.185 17895 2912 1 11 . 1 1 51 51 TYR H H 51 8.170 8.170 8.689 -0.519 17895 2913 1 11 . 1 1 52 52 TYR N N 52 118.548 118.548 117.166 1.382 17895 2914 1 11 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.247 0.057 17895 2915 1 11 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.228 2.580 17895 2916 1 11 . 1 1 52 52 TYR H H 52 9.079 9.079 8.394 0.685 17895 2917 1 11 . 1 1 53 53 LEU N N 53 115.427 115.427 117.942 -2.515 17895 2918 1 11 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.191 0.345 17895 2919 1 11 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.327 -1.283 17895 2920 1 11 . 1 1 53 53 LEU H H 53 8.417 8.417 8.648 -0.231 17895 2921 1 11 . 1 1 54 54 ASN N N 54 122.105 122.105 116.136 5.969 17895 2922 1 11 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.433 0.016 17895 2923 1 11 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.351 0.340 17895 2924 1 11 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.659 1.972 17895 2925 1 11 . 1 1 54 54 ASN H H 54 8.090 8.090 8.095 -0.005 17895 2926 1 11 . 1 1 55 55 THR N N 55 114.929 114.929 114.446 0.483 17895 2927 1 11 . 1 1 55 55 THR HA H 55 4.933 4.933 4.727 0.206 17895 2928 1 11 . 1 1 55 55 THR CA C 55 60.962 60.962 60.926 0.036 17895 2929 1 11 . 1 1 55 55 THR CB C 55 75.743 75.743 71.613 4.130 17895 2930 1 11 . 1 1 55 55 THR H H 55 8.255 8.255 7.902 0.353 17895 2931 1 11 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.571 0.025 17895 2932 1 11 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.618 0.986 17895 2933 1 11 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.386 0.533 17895 2934 1 11 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.155 -0.085 17895 2935 1 11 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.113 2.509 17895 2936 1 11 . 1 1 58 58 GLU N N 58 123.143 123.143 118.907 4.236 17895 2937 1 11 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.682 1.192 17895 2938 1 11 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.541 -0.042 17895 2939 1 11 . 1 1 58 58 GLU H H 58 9.365 9.365 8.665 0.700 17895 2940 1 11 . 1 1 59 59 ASP N N 59 117.681 117.681 118.611 -0.930 17895 2941 1 11 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.392 0.231 17895 2942 1 11 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.638 -0.176 17895 2943 1 11 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.644 0.247 17895 2944 1 11 . 1 1 59 59 ASP H H 59 8.014 8.014 7.689 0.325 17895 2945 1 11 . 1 1 60 60 ILE N N 60 119.519 119.519 115.783 3.736 17895 2946 1 11 . 1 1 60 60 ILE H H 60 8.209 8.209 7.255 0.954 17895 2947 1 11 . 1 1 61 61 PHE N N 61 115.960 115.960 116.705 -0.745 17895 2948 1 11 . 1 1 61 61 PHE H H 61 8.532 8.532 7.681 0.851 17895 2949 1 11 . 1 1 62 62 GLN N N 62 116.724 116.724 120.157 -3.433 17895 2950 1 11 . 1 1 62 62 GLN H H 62 8.752 8.752 7.397 1.355 17895 2951 1 11 . 1 1 63 63 TRP N N 63 125.611 125.611 123.111 2.500 17895 2952 1 11 . 1 1 63 63 TRP H H 63 9.476 9.476 7.734 1.742 17895 2953 1 11 . 1 1 64 64 GLN N N 64 127.087 127.087 114.807 12.280 17895 2954 1 11 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.053 0.126 17895 2955 1 11 . 1 1 64 64 GLN CA C 64 52.402 52.402 56.164 -3.762 17895 2956 1 11 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.825 4.748 17895 2957 1 11 . 1 1 64 64 GLN H H 64 7.989 7.989 7.977 0.012 17895 2958 1 11 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.718 -0.036 17895 2959 1 11 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.099 -0.585 17895 2960 1 12 . 1 1 2 2 ILE N N 2 123.202 123.202 121.727 1.475 17895 2961 1 12 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.082 -0.050 17895 2962 1 12 . 1 1 2 2 ILE H H 2 9.148 9.148 7.824 1.324 17895 2963 1 12 . 1 1 3 3 ILE N N 3 108.681 108.681 127.654 -18.973 17895 2964 1 12 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.078 0.352 17895 2965 1 12 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.677 1.234 17895 2966 1 12 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.331 5.223 17895 2967 1 12 . 1 1 3 3 ILE H H 3 9.416 9.416 8.805 0.611 17895 2968 1 12 . 1 1 4 4 ASN N N 4 123.966 123.966 124.562 -0.596 17895 2969 1 12 . 1 1 4 4 ASN H H 4 9.081 9.081 8.786 0.295 17895 2970 1 12 . 1 1 5 5 ASN N N 5 120.745 120.745 120.431 0.314 17895 2971 1 12 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.996 0.433 17895 2972 1 12 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.587 -0.231 17895 2973 1 12 . 1 1 5 5 ASN CB C 5 40.713 40.713 39.697 1.016 17895 2974 1 12 . 1 1 5 5 ASN H H 5 9.369 9.369 8.862 0.507 17895 2975 1 12 . 1 1 6 6 LEU N N 6 120.594 120.594 124.723 -4.129 17895 2976 1 12 . 1 1 6 6 LEU HA H 6 3.766 3.766 4.180 -0.414 17895 2977 1 12 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.052 2.547 17895 2978 1 12 . 1 1 6 6 LEU H H 6 8.538 8.538 8.780 -0.242 17895 2979 1 12 . 1 1 7 7 LYS N N 7 118.177 118.177 118.997 -0.820 17895 2980 1 12 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.944 -0.036 17895 2981 1 12 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.272 2.034 17895 2982 1 12 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.096 2.107 17895 2983 1 12 . 1 1 7 7 LYS H H 7 8.940 8.940 9.658 -0.718 17895 2984 1 12 . 1 1 8 8 LEU N N 8 116.356 116.356 119.715 -3.359 17895 2985 1 12 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.186 -0.014 17895 2986 1 12 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.872 1.418 17895 2987 1 12 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.870 2.058 17895 2988 1 12 . 1 1 8 8 LEU H H 8 7.687 7.687 7.812 -0.125 17895 2989 1 12 . 1 1 9 9 ILE N N 9 119.134 119.134 118.346 0.788 17895 2990 1 12 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.577 0.236 17895 2991 1 12 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.255 -1.397 17895 2992 1 12 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.696 0.134 17895 2993 1 12 . 1 1 9 9 ILE H H 9 8.225 8.225 7.540 0.685 17895 2994 1 12 . 1 1 10 10 ARG N N 10 120.162 120.162 120.869 -0.707 17895 2995 1 12 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.936 -0.057 17895 2996 1 12 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.646 2.022 17895 2997 1 12 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.265 -0.865 17895 2998 1 12 . 1 1 10 10 ARG H H 10 9.259 9.259 8.866 0.393 17895 2999 1 12 . 1 1 11 11 GLU N N 11 115.878 115.878 119.334 -3.456 17895 3000 1 12 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.153 0.019 17895 3001 1 12 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.093 1.193 17895 3002 1 12 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.660 1.154 17895 3003 1 12 . 1 1 11 11 GLU H H 11 8.703 8.703 9.038 -0.335 17895 3004 1 12 . 1 1 12 12 LYS N N 12 122.935 122.935 121.647 1.288 17895 3005 1 12 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.010 0.196 17895 3006 1 12 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.205 1.070 17895 3007 1 12 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.454 0.444 17895 3008 1 12 . 1 1 12 12 LYS H H 12 8.256 8.256 8.015 0.241 17895 3009 1 12 . 1 1 13 13 LYS N N 13 116.350 116.350 115.807 0.543 17895 3010 1 12 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.297 -0.001 17895 3011 1 12 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.857 0.074 17895 3012 1 12 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.802 -0.353 17895 3013 1 12 . 1 1 13 13 LYS H H 13 7.813 7.813 7.519 0.294 17895 3014 1 12 . 1 1 14 14 LYS N N 14 115.317 115.317 115.824 -0.507 17895 3015 1 12 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.028 -0.065 17895 3016 1 12 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.648 1.140 17895 3017 1 12 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.837 -0.788 17895 3018 1 12 . 1 1 14 14 LYS H H 14 8.068 8.068 7.549 0.519 17895 3019 1 12 . 1 1 15 15 ILE N N 15 118.373 118.373 120.014 -1.641 17895 3020 1 12 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.056 0.556 17895 3021 1 12 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.903 1.155 17895 3022 1 12 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.065 3.731 17895 3023 1 12 . 1 1 15 15 ILE H H 15 7.573 7.573 8.660 -1.087 17895 3024 1 12 . 1 1 16 16 SER N N 16 125.057 125.057 122.080 2.977 17895 3025 1 12 . 1 1 16 16 SER HA H 16 4.566 4.566 4.532 0.034 17895 3026 1 12 . 1 1 16 16 SER CA C 16 57.781 57.781 58.803 -1.022 17895 3027 1 12 . 1 1 16 16 SER H H 16 9.457 9.457 9.412 0.045 17895 3028 1 12 . 1 1 17 17 GLN N N 17 120.197 120.197 124.663 -4.466 17895 3029 1 12 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.090 -0.312 17895 3030 1 12 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.530 3.132 17895 3031 1 12 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.533 1.128 17895 3032 1 12 . 1 1 17 17 GLN H H 17 9.544 9.544 9.008 0.536 17895 3033 1 12 . 1 1 18 18 SER N N 18 112.998 112.998 114.727 -1.729 17895 3034 1 12 . 1 1 18 18 SER H H 18 8.985 8.985 8.614 0.371 17895 3035 1 12 . 1 1 19 19 GLU N N 19 124.112 124.112 122.131 1.981 17895 3036 1 12 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.121 -0.015 17895 3037 1 12 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.108 0.405 17895 3038 1 12 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.148 1.291 17895 3039 1 12 . 1 1 19 19 GLU H H 19 8.349 8.349 8.405 -0.056 17895 3040 1 12 . 1 1 20 20 LEU N N 20 119.955 119.955 117.588 2.367 17895 3041 1 12 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.957 0.169 17895 3042 1 12 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.314 1.078 17895 3043 1 12 . 1 1 20 20 LEU H H 20 8.321 8.321 7.524 0.797 17895 3044 1 12 . 1 1 21 21 ALA N N 21 119.830 119.830 122.700 -2.870 17895 3045 1 12 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.889 -0.180 17895 3046 1 12 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.100 1.171 17895 3047 1 12 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.965 -0.230 17895 3048 1 12 . 1 1 21 21 ALA H H 21 8.595 8.595 7.703 0.892 17895 3049 1 12 . 1 1 22 22 ALA N N 22 117.258 117.258 121.270 -4.012 17895 3050 1 12 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.045 0.218 17895 3051 1 12 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.700 0.809 17895 3052 1 12 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.442 0.088 17895 3053 1 12 . 1 1 22 22 ALA H H 22 7.818 7.818 7.502 0.316 17895 3054 1 12 . 1 1 23 23 LEU N N 23 118.586 118.586 118.832 -0.246 17895 3055 1 12 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.935 0.025 17895 3056 1 12 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.354 0.646 17895 3057 1 12 . 1 1 23 23 LEU H H 23 7.537 7.537 7.474 0.063 17895 3058 1 12 . 1 1 24 24 LEU N N 24 114.488 114.488 114.097 0.391 17895 3059 1 12 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.208 0.055 17895 3060 1 12 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.197 0.497 17895 3061 1 12 . 1 1 24 24 LEU H H 24 7.448 7.448 7.969 -0.521 17895 3062 1 12 . 1 1 25 25 GLU N N 25 114.895 114.895 113.703 1.192 17895 3063 1 12 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.050 -0.085 17895 3064 1 12 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.220 0.828 17895 3065 1 12 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.218 0.675 17895 3066 1 12 . 1 1 25 25 GLU H H 25 8.028 8.028 7.774 0.254 17895 3067 1 12 . 1 1 26 26 VAL N N 26 109.697 109.697 112.355 -2.658 17895 3068 1 12 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.700 0.173 17895 3069 1 12 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.379 -0.198 17895 3070 1 12 . 1 1 26 26 VAL H H 26 7.990 7.990 7.805 0.185 17895 3071 1 12 . 1 1 27 27 SER N N 27 114.369 114.369 115.703 -1.334 17895 3072 1 12 . 1 1 27 27 SER HA H 27 4.643 4.643 4.586 0.057 17895 3073 1 12 . 1 1 27 27 SER CA C 27 57.345 57.345 57.556 -0.211 17895 3074 1 12 . 1 1 27 27 SER CB C 27 63.110 63.110 64.217 -1.107 17895 3075 1 12 . 1 1 27 27 SER H H 27 8.633 8.633 8.303 0.330 17895 3076 1 12 . 1 1 28 28 ARG N N 28 115.276 115.276 124.271 -8.995 17895 3077 1 12 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.957 -0.229 17895 3078 1 12 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.242 0.516 17895 3079 1 12 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.995 -0.045 17895 3080 1 12 . 1 1 28 28 ARG H H 28 8.236 8.236 8.967 -0.731 17895 3081 1 12 . 1 1 29 29 GLN N N 29 117.309 117.309 115.980 1.329 17895 3082 1 12 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.192 -0.039 17895 3083 1 12 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.949 1.064 17895 3084 1 12 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.604 0.864 17895 3085 1 12 . 1 1 29 29 GLN H H 29 8.835 8.835 8.845 -0.010 17895 3086 1 12 . 1 1 30 30 THR N N 30 119.984 119.984 115.279 4.705 17895 3087 1 12 . 1 1 30 30 THR HA H 30 4.418 4.418 4.044 0.374 17895 3088 1 12 . 1 1 30 30 THR CA C 30 68.600 68.600 65.498 3.102 17895 3089 1 12 . 1 1 30 30 THR CB C 30 67.556 67.556 68.622 -1.066 17895 3090 1 12 . 1 1 30 30 THR H H 30 8.136 8.136 7.384 0.752 17895 3091 1 12 . 1 1 31 31 ILE N N 31 118.828 118.828 122.561 -3.733 17895 3092 1 12 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.752 0.033 17895 3093 1 12 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.751 -1.822 17895 3094 1 12 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.898 -0.921 17895 3095 1 12 . 1 1 31 31 ILE H H 31 7.162 7.162 7.830 -0.668 17895 3096 1 12 . 1 1 32 32 ASN N N 32 118.028 118.028 118.076 -0.048 17895 3097 1 12 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.755 -0.425 17895 3098 1 12 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.116 3.079 17895 3099 1 12 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.477 2.668 17895 3100 1 12 . 1 1 32 32 ASN H H 32 8.668 8.668 8.864 -0.196 17895 3101 1 12 . 1 1 33 33 GLY N N 33 124.941 124.941 109.325 15.616 17895 3102 1 12 . 1 1 33 33 GLY H H 33 8.656 8.656 8.466 0.190 17895 3103 1 12 . 1 1 34 34 ILE N N 34 122.198 122.198 122.996 -0.798 17895 3104 1 12 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.722 0.562 17895 3105 1 12 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.790 0.750 17895 3106 1 12 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.769 1.417 17895 3107 1 12 . 1 1 34 34 ILE H H 34 8.205 8.205 7.975 0.230 17895 3108 1 12 . 1 1 35 35 GLU N N 35 120.651 120.651 118.651 2.000 17895 3109 1 12 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.152 0.061 17895 3110 1 12 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.211 2.381 17895 3111 1 12 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.292 0.460 17895 3112 1 12 . 1 1 35 35 GLU H H 35 8.592 8.592 7.635 0.957 17895 3113 1 12 . 1 1 36 36 LYS N N 36 115.995 115.995 119.426 -3.431 17895 3114 1 12 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.134 0.368 17895 3115 1 12 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.129 -1.845 17895 3116 1 12 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.565 -0.725 17895 3117 1 12 . 1 1 36 36 LYS H H 36 8.111 8.111 8.242 -0.131 17895 3118 1 12 . 1 1 37 37 ASN N N 37 114.563 114.563 113.838 0.725 17895 3119 1 12 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.544 0.204 17895 3120 1 12 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.096 2.592 17895 3121 1 12 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.274 -0.470 17895 3122 1 12 . 1 1 37 37 ASN H H 37 8.223 8.223 8.424 -0.201 17895 3123 1 12 . 1 1 38 38 LYS N N 38 115.051 115.051 121.710 -6.659 17895 3124 1 12 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.176 0.245 17895 3125 1 12 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.352 2.644 17895 3126 1 12 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.216 -1.080 17895 3127 1 12 . 1 1 38 38 LYS H H 38 8.734 8.734 7.656 1.078 17895 3128 1 12 . 1 1 39 39 TYR N N 39 116.976 116.976 118.489 -1.513 17895 3129 1 12 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.351 0.258 17895 3130 1 12 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.860 -0.483 17895 3131 1 12 . 1 1 39 39 TYR H H 39 7.089 7.089 7.199 -0.110 17895 3132 1 12 . 1 1 40 40 ASN N N 40 123.607 123.607 122.409 1.198 17895 3133 1 12 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.177 0.199 17895 3134 1 12 . 1 1 40 40 ASN H H 40 8.862 8.862 8.409 0.453 17895 3135 1 12 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.595 -0.806 17895 3136 1 12 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.758 0.713 17895 3137 1 12 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.478 -0.017 17895 3138 1 12 . 1 1 42 42 SER N N 42 125.650 125.650 115.776 9.874 17895 3139 1 12 . 1 1 42 42 SER HA H 42 4.556 4.556 4.441 0.115 17895 3140 1 12 . 1 1 42 42 SER CA C 42 58.198 58.198 58.129 0.069 17895 3141 1 12 . 1 1 42 42 SER H H 42 8.056 8.056 8.196 -0.140 17895 3142 1 12 . 1 1 43 43 LEU N N 43 120.689 120.689 123.807 -3.118 17895 3143 1 12 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.246 -0.333 17895 3144 1 12 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.659 0.586 17895 3145 1 12 . 1 1 43 43 LEU H H 43 9.296 9.296 8.867 0.429 17895 3146 1 12 . 1 1 44 44 GLN N N 44 115.960 115.960 119.376 -3.416 17895 3147 1 12 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.108 -0.411 17895 3148 1 12 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.314 1.558 17895 3149 1 12 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.119 1.031 17895 3150 1 12 . 1 1 44 44 GLN H H 44 8.915 8.915 8.719 0.196 17895 3151 1 12 . 1 1 45 45 LEU N N 45 119.431 119.431 120.099 -0.668 17895 3152 1 12 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.122 -0.230 17895 3153 1 12 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.835 -2.311 17895 3154 1 12 . 1 1 45 45 LEU H H 45 8.093 8.093 8.182 -0.089 17895 3155 1 12 . 1 1 46 46 ALA N N 46 120.497 120.497 122.733 -2.236 17895 3156 1 12 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.196 -0.162 17895 3157 1 12 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.517 0.984 17895 3158 1 12 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.384 2.269 17895 3159 1 12 . 1 1 46 46 ALA H H 46 8.512 8.512 8.592 -0.080 17895 3160 1 12 . 1 1 47 47 LEU N N 47 116.461 116.461 118.886 -2.425 17895 3161 1 12 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.838 0.376 17895 3162 1 12 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.167 0.234 17895 3163 1 12 . 1 1 47 47 LEU H H 47 8.675 8.675 8.964 -0.289 17895 3164 1 12 . 1 1 48 48 LYS N N 48 120.970 120.970 120.229 0.741 17895 3165 1 12 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.102 -0.522 17895 3166 1 12 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.986 0.742 17895 3167 1 12 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.343 0.825 17895 3168 1 12 . 1 1 48 48 LYS H H 48 8.053 8.053 8.264 -0.211 17895 3169 1 12 . 1 1 49 49 ILE N N 49 120.407 120.407 120.382 0.025 17895 3170 1 12 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.805 -0.207 17895 3171 1 12 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.259 2.843 17895 3172 1 12 . 1 1 49 49 ILE H H 49 8.783 8.783 8.333 0.450 17895 3173 1 12 . 1 1 50 50 ALA N N 50 120.445 120.445 122.763 -2.318 17895 3174 1 12 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.076 -0.006 17895 3175 1 12 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.035 1.365 17895 3176 1 12 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.397 0.508 17895 3177 1 12 . 1 1 50 50 ALA H H 50 8.182 8.182 8.583 -0.401 17895 3178 1 12 . 1 1 51 51 TYR N N 51 117.070 117.070 120.458 -3.388 17895 3179 1 12 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.098 0.255 17895 3180 1 12 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.012 0.341 17895 3181 1 12 . 1 1 51 51 TYR H H 51 8.170 8.170 8.770 -0.600 17895 3182 1 12 . 1 1 52 52 TYR N N 52 118.548 118.548 118.090 0.458 17895 3183 1 12 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.086 0.218 17895 3184 1 12 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.874 2.934 17895 3185 1 12 . 1 1 52 52 TYR H H 52 9.079 9.079 8.140 0.939 17895 3186 1 12 . 1 1 53 53 LEU N N 53 115.427 115.427 117.531 -2.104 17895 3187 1 12 . 1 1 53 53 LEU HA H 53 4.536 4.536 3.950 0.586 17895 3188 1 12 . 1 1 53 53 LEU CA C 53 55.044 55.044 54.781 0.263 17895 3189 1 12 . 1 1 53 53 LEU H H 53 8.417 8.417 8.459 -0.042 17895 3190 1 12 . 1 1 54 54 ASN N N 54 122.105 122.105 115.140 6.965 17895 3191 1 12 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.329 0.120 17895 3192 1 12 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.231 0.460 17895 3193 1 12 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.977 1.654 17895 3194 1 12 . 1 1 54 54 ASN H H 54 8.090 8.090 8.455 -0.365 17895 3195 1 12 . 1 1 55 55 THR N N 55 114.929 114.929 115.464 -0.535 17895 3196 1 12 . 1 1 55 55 THR HA H 55 4.933 4.933 4.676 0.257 17895 3197 1 12 . 1 1 55 55 THR CA C 55 60.962 60.962 60.157 0.805 17895 3198 1 12 . 1 1 55 55 THR CB C 55 75.743 75.743 70.605 5.138 17895 3199 1 12 . 1 1 55 55 THR H H 55 8.255 8.255 7.557 0.698 17895 3200 1 12 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.436 0.160 17895 3201 1 12 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.454 1.150 17895 3202 1 12 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.381 0.538 17895 3203 1 12 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.838 0.232 17895 3204 1 12 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.239 2.383 17895 3205 1 12 . 1 1 58 58 GLU N N 58 123.143 123.143 118.778 4.365 17895 3206 1 12 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.998 0.876 17895 3207 1 12 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.779 -0.280 17895 3208 1 12 . 1 1 58 58 GLU H H 58 9.365 9.365 8.783 0.582 17895 3209 1 12 . 1 1 59 59 ASP N N 59 117.681 117.681 118.793 -1.112 17895 3210 1 12 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.442 0.181 17895 3211 1 12 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.481 -0.019 17895 3212 1 12 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.673 0.218 17895 3213 1 12 . 1 1 59 59 ASP H H 59 8.014 8.014 7.635 0.379 17895 3214 1 12 . 1 1 60 60 ILE N N 60 119.519 119.519 116.911 2.608 17895 3215 1 12 . 1 1 60 60 ILE H H 60 8.209 8.209 7.562 0.647 17895 3216 1 12 . 1 1 61 61 PHE N N 61 115.960 115.960 109.497 6.463 17895 3217 1 12 . 1 1 61 61 PHE H H 61 8.532 8.532 8.445 0.087 17895 3218 1 12 . 1 1 62 62 GLN N N 62 116.724 116.724 117.624 -0.900 17895 3219 1 12 . 1 1 62 62 GLN H H 62 8.752 8.752 8.230 0.522 17895 3220 1 12 . 1 1 63 63 TRP N N 63 125.611 125.611 122.657 2.954 17895 3221 1 12 . 1 1 63 63 TRP H H 63 9.476 9.476 8.452 1.024 17895 3222 1 12 . 1 1 64 64 GLN N N 64 127.087 127.087 114.755 12.332 17895 3223 1 12 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.041 0.138 17895 3224 1 12 . 1 1 64 64 GLN CA C 64 52.402 52.402 55.790 -3.388 17895 3225 1 12 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.371 5.202 17895 3226 1 12 . 1 1 64 64 GLN H H 64 7.989 7.989 8.525 -0.536 17895 3227 1 12 . 1 1 65 65 PRO HA H 65 4.682 4.682 3.778 0.904 17895 3228 1 12 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.987 -1.473 17895 3229 1 13 . 1 1 2 2 ILE N N 2 123.202 123.202 122.481 0.721 17895 3230 1 13 . 1 1 2 2 ILE CB C 2 40.032 40.032 34.709 5.323 17895 3231 1 13 . 1 1 2 2 ILE H H 2 9.148 9.148 8.208 0.940 17895 3232 1 13 . 1 1 3 3 ILE N N 3 108.681 108.681 120.156 -11.475 17895 3233 1 13 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.482 0.948 17895 3234 1 13 . 1 1 3 3 ILE CA C 3 60.911 60.911 64.556 -3.645 17895 3235 1 13 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.502 3.053 17895 3236 1 13 . 1 1 3 3 ILE H H 3 9.416 9.416 8.782 0.634 17895 3237 1 13 . 1 1 4 4 ASN N N 4 123.966 123.966 116.127 7.839 17895 3238 1 13 . 1 1 4 4 ASN H H 4 9.081 9.081 8.819 0.262 17895 3239 1 13 . 1 1 5 5 ASN N N 5 120.745 120.745 114.831 5.914 17895 3240 1 13 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.826 0.603 17895 3241 1 13 . 1 1 5 5 ASN CA C 5 52.356 52.356 51.337 1.019 17895 3242 1 13 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.408 2.304 17895 3243 1 13 . 1 1 5 5 ASN H H 5 9.369 9.369 7.908 1.461 17895 3244 1 13 . 1 1 6 6 LEU N N 6 120.594 120.594 122.520 -1.926 17895 3245 1 13 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.827 -0.061 17895 3246 1 13 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.825 2.773 17895 3247 1 13 . 1 1 6 6 LEU H H 6 8.538 8.538 7.353 1.185 17895 3248 1 13 . 1 1 7 7 LYS N N 7 118.177 118.177 117.936 0.241 17895 3249 1 13 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.091 -0.183 17895 3250 1 13 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.172 2.134 17895 3251 1 13 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.284 1.919 17895 3252 1 13 . 1 1 7 7 LYS H H 7 8.940 8.940 8.123 0.817 17895 3253 1 13 . 1 1 8 8 LEU N N 8 116.356 116.356 119.081 -2.725 17895 3254 1 13 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.084 0.088 17895 3255 1 13 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.114 1.175 17895 3256 1 13 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.578 2.350 17895 3257 1 13 . 1 1 8 8 LEU H H 8 7.687 7.687 7.715 -0.028 17895 3258 1 13 . 1 1 9 9 ILE N N 9 119.134 119.134 117.935 1.199 17895 3259 1 13 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.589 0.224 17895 3260 1 13 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.079 -1.221 17895 3261 1 13 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.427 0.403 17895 3262 1 13 . 1 1 9 9 ILE H H 9 8.225 8.225 7.462 0.763 17895 3263 1 13 . 1 1 10 10 ARG N N 10 120.162 120.162 121.180 -1.018 17895 3264 1 13 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.894 -0.015 17895 3265 1 13 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.497 2.171 17895 3266 1 13 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.335 -0.937 17895 3267 1 13 . 1 1 10 10 ARG H H 10 9.259 9.259 8.345 0.914 17895 3268 1 13 . 1 1 11 11 GLU N N 11 115.878 115.878 118.564 -2.686 17895 3269 1 13 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.167 0.005 17895 3270 1 13 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.792 1.494 17895 3271 1 13 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.733 1.081 17895 3272 1 13 . 1 1 11 11 GLU H H 11 8.703 8.703 9.090 -0.387 17895 3273 1 13 . 1 1 12 12 LYS N N 12 122.935 122.935 121.930 1.005 17895 3274 1 13 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.026 0.180 17895 3275 1 13 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.037 1.238 17895 3276 1 13 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.455 0.443 17895 3277 1 13 . 1 1 12 12 LYS H H 12 8.256 8.256 7.860 0.396 17895 3278 1 13 . 1 1 13 13 LYS N N 13 116.350 116.350 115.689 0.661 17895 3279 1 13 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.368 -0.072 17895 3280 1 13 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.580 0.351 17895 3281 1 13 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.552 -0.103 17895 3282 1 13 . 1 1 13 13 LYS H H 13 7.813 7.813 7.597 0.216 17895 3283 1 13 . 1 1 14 14 LYS N N 14 115.317 115.317 114.466 0.851 17895 3284 1 13 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.964 -0.001 17895 3285 1 13 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.431 1.357 17895 3286 1 13 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.124 -0.076 17895 3287 1 13 . 1 1 14 14 LYS H H 14 8.068 8.068 7.807 0.261 17895 3288 1 13 . 1 1 15 15 ILE N N 15 118.373 118.373 120.544 -2.171 17895 3289 1 13 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.275 0.337 17895 3290 1 13 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.279 0.779 17895 3291 1 13 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.533 4.263 17895 3292 1 13 . 1 1 15 15 ILE H H 15 7.573 7.573 8.502 -0.929 17895 3293 1 13 . 1 1 16 16 SER N N 16 125.057 125.057 123.756 1.301 17895 3294 1 13 . 1 1 16 16 SER HA H 16 4.566 4.566 4.608 -0.042 17895 3295 1 13 . 1 1 16 16 SER CA C 16 57.781 57.781 58.565 -0.784 17895 3296 1 13 . 1 1 16 16 SER H H 16 9.457 9.457 9.638 -0.181 17895 3297 1 13 . 1 1 17 17 GLN N N 17 120.197 120.197 125.673 -5.476 17895 3298 1 13 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.089 -0.311 17895 3299 1 13 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.557 3.105 17895 3300 1 13 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.196 1.465 17895 3301 1 13 . 1 1 17 17 GLN H H 17 9.544 9.544 9.095 0.449 17895 3302 1 13 . 1 1 18 18 SER N N 18 112.998 112.998 114.960 -1.962 17895 3303 1 13 . 1 1 18 18 SER H H 18 8.985 8.985 8.723 0.262 17895 3304 1 13 . 1 1 19 19 GLU N N 19 124.112 124.112 122.062 2.050 17895 3305 1 13 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.140 -0.034 17895 3306 1 13 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.511 1.002 17895 3307 1 13 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.039 1.400 17895 3308 1 13 . 1 1 19 19 GLU H H 19 8.349 8.349 8.290 0.059 17895 3309 1 13 . 1 1 20 20 LEU N N 20 119.955 119.955 122.125 -2.170 17895 3310 1 13 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.861 0.265 17895 3311 1 13 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.140 0.252 17895 3312 1 13 . 1 1 20 20 LEU H H 20 8.321 8.321 8.314 0.007 17895 3313 1 13 . 1 1 21 21 ALA N N 21 119.830 119.830 120.849 -1.019 17895 3314 1 13 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.893 -0.184 17895 3315 1 13 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.125 1.147 17895 3316 1 13 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.967 -0.232 17895 3317 1 13 . 1 1 21 21 ALA H H 21 8.595 8.595 8.698 -0.103 17895 3318 1 13 . 1 1 22 22 ALA N N 22 117.258 117.258 120.972 -3.714 17895 3319 1 13 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.978 0.285 17895 3320 1 13 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.717 0.792 17895 3321 1 13 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.433 0.097 17895 3322 1 13 . 1 1 22 22 ALA H H 22 7.818 7.818 7.376 0.442 17895 3323 1 13 . 1 1 23 23 LEU N N 23 118.586 118.586 117.849 0.737 17895 3324 1 13 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.743 0.217 17895 3325 1 13 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.887 1.113 17895 3326 1 13 . 1 1 23 23 LEU H H 23 7.537 7.537 7.396 0.141 17895 3327 1 13 . 1 1 24 24 LEU N N 24 114.488 114.488 115.262 -0.774 17895 3328 1 13 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.236 0.027 17895 3329 1 13 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.433 -0.739 17895 3330 1 13 . 1 1 24 24 LEU H H 24 7.448 7.448 7.970 -0.522 17895 3331 1 13 . 1 1 25 25 GLU N N 25 114.895 114.895 113.400 1.495 17895 3332 1 13 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.004 -0.039 17895 3333 1 13 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.217 0.831 17895 3334 1 13 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.616 0.277 17895 3335 1 13 . 1 1 25 25 GLU H H 25 8.028 8.028 8.330 -0.302 17895 3336 1 13 . 1 1 26 26 VAL N N 26 109.697 109.697 112.457 -2.760 17895 3337 1 13 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.470 0.403 17895 3338 1 13 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.341 -0.160 17895 3339 1 13 . 1 1 26 26 VAL H H 26 7.990 7.990 7.801 0.189 17895 3340 1 13 . 1 1 27 27 SER N N 27 114.369 114.369 116.036 -1.667 17895 3341 1 13 . 1 1 27 27 SER HA H 27 4.643 4.643 4.586 0.057 17895 3342 1 13 . 1 1 27 27 SER CA C 27 57.345 57.345 58.331 -0.986 17895 3343 1 13 . 1 1 27 27 SER CB C 27 63.110 63.110 63.915 -0.805 17895 3344 1 13 . 1 1 27 27 SER H H 27 8.633 8.633 8.437 0.196 17895 3345 1 13 . 1 1 28 28 ARG N N 28 115.276 115.276 127.389 -12.113 17895 3346 1 13 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.891 -0.163 17895 3347 1 13 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.334 0.424 17895 3348 1 13 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.913 0.037 17895 3349 1 13 . 1 1 28 28 ARG H H 28 8.236 8.236 8.997 -0.761 17895 3350 1 13 . 1 1 29 29 GLN N N 29 117.309 117.309 116.593 0.716 17895 3351 1 13 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.080 0.073 17895 3352 1 13 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.955 1.058 17895 3353 1 13 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.656 0.812 17895 3354 1 13 . 1 1 29 29 GLN H H 29 8.835 8.835 8.918 -0.083 17895 3355 1 13 . 1 1 30 30 THR N N 30 119.984 119.984 115.582 4.402 17895 3356 1 13 . 1 1 30 30 THR HA H 30 4.418 4.418 4.078 0.340 17895 3357 1 13 . 1 1 30 30 THR CA C 30 68.600 68.600 65.241 3.359 17895 3358 1 13 . 1 1 30 30 THR CB C 30 67.556 67.556 68.482 -0.926 17895 3359 1 13 . 1 1 30 30 THR H H 30 8.136 8.136 7.443 0.693 17895 3360 1 13 . 1 1 31 31 ILE N N 31 118.828 118.828 122.666 -3.838 17895 3361 1 13 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.844 -0.059 17895 3362 1 13 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.183 -1.254 17895 3363 1 13 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.703 -0.726 17895 3364 1 13 . 1 1 31 31 ILE H H 31 7.162 7.162 7.810 -0.648 17895 3365 1 13 . 1 1 32 32 ASN N N 32 118.028 118.028 118.390 -0.362 17895 3366 1 13 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.663 -0.333 17895 3367 1 13 . 1 1 32 32 ASN CA C 32 58.195 58.195 56.102 2.093 17895 3368 1 13 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.911 2.234 17895 3369 1 13 . 1 1 32 32 ASN H H 32 8.668 8.668 8.982 -0.314 17895 3370 1 13 . 1 1 33 33 GLY N N 33 124.941 124.941 109.562 15.379 17895 3371 1 13 . 1 1 33 33 GLY H H 33 8.656 8.656 7.886 0.769 17895 3372 1 13 . 1 1 34 34 ILE N N 34 122.198 122.198 122.670 -0.472 17895 3373 1 13 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.751 0.533 17895 3374 1 13 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.675 0.865 17895 3375 1 13 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.156 1.030 17895 3376 1 13 . 1 1 34 34 ILE H H 34 8.205 8.205 7.761 0.444 17895 3377 1 13 . 1 1 35 35 GLU N N 35 120.651 120.651 119.381 1.270 17895 3378 1 13 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.117 0.096 17895 3379 1 13 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.152 1.440 17895 3380 1 13 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.200 0.552 17895 3381 1 13 . 1 1 35 35 GLU H H 35 8.592 8.592 8.315 0.277 17895 3382 1 13 . 1 1 36 36 LYS N N 36 115.995 115.995 118.554 -2.559 17895 3383 1 13 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.024 0.478 17895 3384 1 13 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.657 -2.373 17895 3385 1 13 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.186 -0.347 17895 3386 1 13 . 1 1 36 36 LYS H H 36 8.111 8.111 7.559 0.552 17895 3387 1 13 . 1 1 37 37 ASN N N 37 114.563 114.563 112.892 1.671 17895 3388 1 13 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.699 0.049 17895 3389 1 13 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.164 2.524 17895 3390 1 13 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.482 -0.678 17895 3391 1 13 . 1 1 37 37 ASN H H 37 8.223 8.223 7.873 0.350 17895 3392 1 13 . 1 1 38 38 LYS N N 38 115.051 115.051 121.331 -6.280 17895 3393 1 13 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.533 -0.112 17895 3394 1 13 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.575 0.420 17895 3395 1 13 . 1 1 38 38 LYS CB C 38 34.136 34.136 34.014 0.122 17895 3396 1 13 . 1 1 38 38 LYS H H 38 8.734 8.734 8.962 -0.228 17895 3397 1 13 . 1 1 39 39 TYR N N 39 116.976 116.976 121.669 -4.693 17895 3398 1 13 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.599 0.010 17895 3399 1 13 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.160 -0.783 17895 3400 1 13 . 1 1 39 39 TYR H H 39 7.089 7.089 8.489 -1.400 17895 3401 1 13 . 1 1 40 40 ASN N N 40 123.607 123.607 124.988 -1.381 17895 3402 1 13 . 1 1 40 40 ASN CB C 40 39.376 39.376 37.717 1.659 17895 3403 1 13 . 1 1 40 40 ASN H H 40 8.862 8.862 8.007 0.855 17895 3404 1 13 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.430 -0.641 17895 3405 1 13 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.431 1.039 17895 3406 1 13 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.255 0.206 17895 3407 1 13 . 1 1 42 42 SER N N 42 125.650 125.650 115.450 10.200 17895 3408 1 13 . 1 1 42 42 SER HA H 42 4.556 4.556 4.320 0.236 17895 3409 1 13 . 1 1 42 42 SER CA C 42 58.198 58.198 58.524 -0.326 17895 3410 1 13 . 1 1 42 42 SER H H 42 8.056 8.056 8.245 -0.189 17895 3411 1 13 . 1 1 43 43 LEU N N 43 120.689 120.689 122.347 -1.658 17895 3412 1 13 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.015 -0.102 17895 3413 1 13 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.294 0.951 17895 3414 1 13 . 1 1 43 43 LEU H H 43 9.296 9.296 8.682 0.614 17895 3415 1 13 . 1 1 44 44 GLN N N 44 115.960 115.960 119.795 -3.835 17895 3416 1 13 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.156 -0.459 17895 3417 1 13 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.660 2.212 17895 3418 1 13 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.329 1.821 17895 3419 1 13 . 1 1 44 44 GLN H H 44 8.915 8.915 8.690 0.225 17895 3420 1 13 . 1 1 45 45 LEU N N 45 119.431 119.431 121.561 -2.130 17895 3421 1 13 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.130 -0.238 17895 3422 1 13 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.763 -2.239 17895 3423 1 13 . 1 1 45 45 LEU H H 45 8.093 8.093 8.040 0.053 17895 3424 1 13 . 1 1 46 46 ALA N N 46 120.497 120.497 122.650 -2.153 17895 3425 1 13 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.113 -0.079 17895 3426 1 13 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.456 1.045 17895 3427 1 13 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.307 2.346 17895 3428 1 13 . 1 1 46 46 ALA H H 46 8.512 8.512 8.732 -0.220 17895 3429 1 13 . 1 1 47 47 LEU N N 47 116.461 116.461 119.337 -2.876 17895 3430 1 13 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.877 0.337 17895 3431 1 13 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.259 0.142 17895 3432 1 13 . 1 1 47 47 LEU H H 47 8.675 8.675 8.991 -0.316 17895 3433 1 13 . 1 1 48 48 LYS N N 48 120.970 120.970 119.818 1.152 17895 3434 1 13 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.028 -0.448 17895 3435 1 13 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.157 0.570 17895 3436 1 13 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.452 0.716 17895 3437 1 13 . 1 1 48 48 LYS H H 48 8.053 8.053 8.510 -0.457 17895 3438 1 13 . 1 1 49 49 ILE N N 49 120.407 120.407 120.425 -0.018 17895 3439 1 13 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.828 -0.230 17895 3440 1 13 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.594 2.508 17895 3441 1 13 . 1 1 49 49 ILE H H 49 8.783 8.783 8.490 0.293 17895 3442 1 13 . 1 1 50 50 ALA N N 50 120.445 120.445 123.266 -2.821 17895 3443 1 13 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.076 -0.006 17895 3444 1 13 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.204 1.196 17895 3445 1 13 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.335 0.570 17895 3446 1 13 . 1 1 50 50 ALA H H 50 8.182 8.182 8.954 -0.772 17895 3447 1 13 . 1 1 51 51 TYR N N 51 117.070 117.070 120.326 -3.256 17895 3448 1 13 . 1 1 51 51 TYR HA H 51 4.353 4.353 3.957 0.396 17895 3449 1 13 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.120 0.234 17895 3450 1 13 . 1 1 51 51 TYR H H 51 8.170 8.170 8.715 -0.545 17895 3451 1 13 . 1 1 52 52 TYR N N 52 118.548 118.548 115.386 3.162 17895 3452 1 13 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.148 0.156 17895 3453 1 13 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.270 2.538 17895 3454 1 13 . 1 1 52 52 TYR H H 52 9.079 9.079 7.763 1.316 17895 3455 1 13 . 1 1 53 53 LEU N N 53 115.427 115.427 117.379 -1.952 17895 3456 1 13 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.080 0.456 17895 3457 1 13 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.868 -1.824 17895 3458 1 13 . 1 1 53 53 LEU H H 53 8.417 8.417 8.657 -0.240 17895 3459 1 13 . 1 1 54 54 ASN N N 54 122.105 122.105 114.331 7.774 17895 3460 1 13 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.297 0.152 17895 3461 1 13 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.046 0.645 17895 3462 1 13 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.209 1.422 17895 3463 1 13 . 1 1 54 54 ASN H H 54 8.090 8.090 8.669 -0.579 17895 3464 1 13 . 1 1 55 55 THR N N 55 114.929 114.929 115.453 -0.524 17895 3465 1 13 . 1 1 55 55 THR HA H 55 4.933 4.933 4.728 0.205 17895 3466 1 13 . 1 1 55 55 THR CA C 55 60.962 60.962 59.600 1.361 17895 3467 1 13 . 1 1 55 55 THR CB C 55 75.743 75.743 70.970 4.773 17895 3468 1 13 . 1 1 55 55 THR H H 55 8.255 8.255 7.534 0.721 17895 3469 1 13 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.518 0.078 17895 3470 1 13 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.831 0.773 17895 3471 1 13 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.318 0.601 17895 3472 1 13 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.131 -0.061 17895 3473 1 13 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.880 1.742 17895 3474 1 13 . 1 1 58 58 GLU N N 58 123.143 123.143 118.525 4.618 17895 3475 1 13 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.982 0.892 17895 3476 1 13 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.727 -0.228 17895 3477 1 13 . 1 1 58 58 GLU H H 58 9.365 9.365 8.850 0.515 17895 3478 1 13 . 1 1 59 59 ASP N N 59 117.681 117.681 118.529 -0.848 17895 3479 1 13 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.386 0.237 17895 3480 1 13 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.706 -0.244 17895 3481 1 13 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.768 0.123 17895 3482 1 13 . 1 1 59 59 ASP H H 59 8.014 8.014 7.602 0.412 17895 3483 1 13 . 1 1 60 60 ILE N N 60 119.519 119.519 112.316 7.203 17895 3484 1 13 . 1 1 60 60 ILE H H 60 8.209 8.209 7.245 0.964 17895 3485 1 13 . 1 1 61 61 PHE N N 61 115.960 115.960 118.494 -2.534 17895 3486 1 13 . 1 1 61 61 PHE H H 61 8.532 8.532 8.529 0.003 17895 3487 1 13 . 1 1 62 62 GLN N N 62 116.724 116.724 119.915 -3.191 17895 3488 1 13 . 1 1 62 62 GLN H H 62 8.752 8.752 8.107 0.645 17895 3489 1 13 . 1 1 63 63 TRP N N 63 125.611 125.611 120.117 5.494 17895 3490 1 13 . 1 1 63 63 TRP H H 63 9.476 9.476 8.001 1.475 17895 3491 1 13 . 1 1 64 64 GLN N N 64 127.087 127.087 122.422 4.665 17895 3492 1 13 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.818 -0.639 17895 3493 1 13 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.552 -1.150 17895 3494 1 13 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.147 2.426 17895 3495 1 13 . 1 1 64 64 GLN H H 64 7.989 7.989 8.642 -0.653 17895 3496 1 13 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.580 0.102 17895 3497 1 13 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.099 -0.585 17895 3498 1 14 . 1 1 2 2 ILE N N 2 123.202 123.202 121.353 1.849 17895 3499 1 14 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.390 -0.358 17895 3500 1 14 . 1 1 2 2 ILE H H 2 9.148 9.148 7.997 1.151 17895 3501 1 14 . 1 1 3 3 ILE N N 3 108.681 108.681 127.918 -19.237 17895 3502 1 14 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.315 0.115 17895 3503 1 14 . 1 1 3 3 ILE CA C 3 60.911 60.911 58.808 2.103 17895 3504 1 14 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.052 2.503 17895 3505 1 14 . 1 1 3 3 ILE H H 3 9.416 9.416 9.464 -0.048 17895 3506 1 14 . 1 1 4 4 ASN N N 4 123.966 123.966 126.819 -2.853 17895 3507 1 14 . 1 1 4 4 ASN H H 4 9.081 9.081 8.850 0.231 17895 3508 1 14 . 1 1 5 5 ASN N N 5 120.745 120.745 120.855 -0.110 17895 3509 1 14 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.883 0.546 17895 3510 1 14 . 1 1 5 5 ASN CA C 5 52.356 52.356 51.417 0.939 17895 3511 1 14 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.905 2.808 17895 3512 1 14 . 1 1 5 5 ASN H H 5 9.369 9.369 7.999 1.370 17895 3513 1 14 . 1 1 6 6 LEU N N 6 120.594 120.594 122.731 -2.137 17895 3514 1 14 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.917 -0.151 17895 3515 1 14 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.757 1.843 17895 3516 1 14 . 1 1 6 6 LEU H H 6 8.538 8.538 7.637 0.901 17895 3517 1 14 . 1 1 7 7 LYS N N 7 118.177 118.177 118.049 0.128 17895 3518 1 14 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.886 0.022 17895 3519 1 14 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.036 2.270 17895 3520 1 14 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.858 2.345 17895 3521 1 14 . 1 1 7 7 LYS H H 7 8.940 8.940 8.284 0.656 17895 3522 1 14 . 1 1 8 8 LEU N N 8 116.356 116.356 119.785 -3.429 17895 3523 1 14 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.176 -0.004 17895 3524 1 14 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.768 1.522 17895 3525 1 14 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.627 2.301 17895 3526 1 14 . 1 1 8 8 LEU H H 8 7.687 7.687 7.628 0.059 17895 3527 1 14 . 1 1 9 9 ILE N N 9 119.134 119.134 118.872 0.262 17895 3528 1 14 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.526 0.287 17895 3529 1 14 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.337 -1.479 17895 3530 1 14 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.576 0.254 17895 3531 1 14 . 1 1 9 9 ILE H H 9 8.225 8.225 7.478 0.747 17895 3532 1 14 . 1 1 10 10 ARG N N 10 120.162 120.162 120.708 -0.546 17895 3533 1 14 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.864 0.015 17895 3534 1 14 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.629 2.039 17895 3535 1 14 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.908 -0.509 17895 3536 1 14 . 1 1 10 10 ARG H H 10 9.259 9.259 8.728 0.531 17895 3537 1 14 . 1 1 11 11 GLU N N 11 115.878 115.878 118.987 -3.109 17895 3538 1 14 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.059 0.113 17895 3539 1 14 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.101 1.185 17895 3540 1 14 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.107 0.707 17895 3541 1 14 . 1 1 11 11 GLU H H 11 8.703 8.703 8.704 -0.001 17895 3542 1 14 . 1 1 12 12 LYS N N 12 122.935 122.935 121.053 1.882 17895 3543 1 14 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.034 0.172 17895 3544 1 14 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.030 1.245 17895 3545 1 14 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.571 0.327 17895 3546 1 14 . 1 1 12 12 LYS H H 12 8.256 8.256 8.245 0.011 17895 3547 1 14 . 1 1 13 13 LYS N N 13 116.350 116.350 115.079 1.271 17895 3548 1 14 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.409 -0.113 17895 3549 1 14 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.425 0.506 17895 3550 1 14 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.512 -0.063 17895 3551 1 14 . 1 1 13 13 LYS H H 13 7.813 7.813 7.628 0.185 17895 3552 1 14 . 1 1 14 14 LYS N N 14 115.317 115.317 115.466 -0.149 17895 3553 1 14 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.961 0.002 17895 3554 1 14 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.820 0.968 17895 3555 1 14 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.470 -0.422 17895 3556 1 14 . 1 1 14 14 LYS H H 14 8.068 8.068 7.953 0.115 17895 3557 1 14 . 1 1 15 15 ILE N N 15 118.373 118.373 120.390 -2.017 17895 3558 1 14 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.329 0.283 17895 3559 1 14 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.426 1.632 17895 3560 1 14 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.221 3.575 17895 3561 1 14 . 1 1 15 15 ILE H H 15 7.573 7.573 8.518 -0.945 17895 3562 1 14 . 1 1 16 16 SER N N 16 125.057 125.057 122.307 2.750 17895 3563 1 14 . 1 1 16 16 SER HA H 16 4.566 4.566 4.664 -0.098 17895 3564 1 14 . 1 1 16 16 SER CA C 16 57.781 57.781 57.816 -0.035 17895 3565 1 14 . 1 1 16 16 SER H H 16 9.457 9.457 9.838 -0.381 17895 3566 1 14 . 1 1 17 17 GLN N N 17 120.197 120.197 122.329 -2.132 17895 3567 1 14 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.970 -0.192 17895 3568 1 14 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.573 3.089 17895 3569 1 14 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.289 1.372 17895 3570 1 14 . 1 1 17 17 GLN H H 17 9.544 9.544 8.970 0.574 17895 3571 1 14 . 1 1 18 18 SER N N 18 112.998 112.998 114.043 -1.045 17895 3572 1 14 . 1 1 18 18 SER H H 18 8.985 8.985 8.583 0.402 17895 3573 1 14 . 1 1 19 19 GLU N N 19 124.112 124.112 121.503 2.609 17895 3574 1 14 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.099 0.007 17895 3575 1 14 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.038 0.475 17895 3576 1 14 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.193 1.246 17895 3577 1 14 . 1 1 19 19 GLU H H 19 8.349 8.349 7.599 0.750 17895 3578 1 14 . 1 1 20 20 LEU N N 20 119.955 119.955 117.955 2.000 17895 3579 1 14 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.097 0.029 17895 3580 1 14 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.491 0.901 17895 3581 1 14 . 1 1 20 20 LEU H H 20 8.321 8.321 7.523 0.798 17895 3582 1 14 . 1 1 21 21 ALA N N 21 119.830 119.830 122.399 -2.569 17895 3583 1 14 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.892 -0.183 17895 3584 1 14 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.208 1.065 17895 3585 1 14 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.826 -0.091 17895 3586 1 14 . 1 1 21 21 ALA H H 21 8.595 8.595 7.806 0.789 17895 3587 1 14 . 1 1 22 22 ALA N N 22 117.258 117.258 121.596 -4.338 17895 3588 1 14 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.000 0.263 17895 3589 1 14 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.635 0.874 17895 3590 1 14 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.409 0.121 17895 3591 1 14 . 1 1 22 22 ALA H H 22 7.818 7.818 7.561 0.257 17895 3592 1 14 . 1 1 23 23 LEU N N 23 118.586 118.586 118.473 0.113 17895 3593 1 14 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.627 0.333 17895 3594 1 14 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.062 0.938 17895 3595 1 14 . 1 1 23 23 LEU H H 23 7.537 7.537 7.856 -0.319 17895 3596 1 14 . 1 1 24 24 LEU N N 24 114.488 114.488 114.675 -0.187 17895 3597 1 14 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.055 0.208 17895 3598 1 14 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.307 -0.613 17895 3599 1 14 . 1 1 24 24 LEU H H 24 7.448 7.448 8.200 -0.752 17895 3600 1 14 . 1 1 25 25 GLU N N 25 114.895 114.895 113.679 1.216 17895 3601 1 14 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.059 -0.094 17895 3602 1 14 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.028 1.020 17895 3603 1 14 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.622 0.272 17895 3604 1 14 . 1 1 25 25 GLU H H 25 8.028 8.028 7.800 0.228 17895 3605 1 14 . 1 1 26 26 VAL N N 26 109.697 109.697 113.193 -3.496 17895 3606 1 14 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.627 0.246 17895 3607 1 14 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.238 -0.057 17895 3608 1 14 . 1 1 26 26 VAL H H 26 7.990 7.990 7.987 0.003 17895 3609 1 14 . 1 1 27 27 SER N N 27 114.369 114.369 115.860 -1.491 17895 3610 1 14 . 1 1 27 27 SER HA H 27 4.643 4.643 4.510 0.133 17895 3611 1 14 . 1 1 27 27 SER CA C 27 57.345 57.345 58.094 -0.749 17895 3612 1 14 . 1 1 27 27 SER CB C 27 63.110 63.110 64.635 -1.525 17895 3613 1 14 . 1 1 27 27 SER H H 27 8.633 8.633 8.603 0.030 17895 3614 1 14 . 1 1 28 28 ARG N N 28 115.276 115.276 125.752 -10.476 17895 3615 1 14 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.938 -0.210 17895 3616 1 14 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.177 0.581 17895 3617 1 14 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.095 -0.145 17895 3618 1 14 . 1 1 28 28 ARG H H 28 8.236 8.236 9.041 -0.805 17895 3619 1 14 . 1 1 29 29 GLN N N 29 117.309 117.309 116.747 0.562 17895 3620 1 14 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.264 -0.111 17895 3621 1 14 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.838 1.175 17895 3622 1 14 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.677 0.791 17895 3623 1 14 . 1 1 29 29 GLN H H 29 8.835 8.835 8.787 0.048 17895 3624 1 14 . 1 1 30 30 THR N N 30 119.984 119.984 117.146 2.838 17895 3625 1 14 . 1 1 30 30 THR HA H 30 4.418 4.418 4.077 0.341 17895 3626 1 14 . 1 1 30 30 THR CA C 30 68.600 68.600 66.015 2.585 17895 3627 1 14 . 1 1 30 30 THR CB C 30 67.556 67.556 68.356 -0.800 17895 3628 1 14 . 1 1 30 30 THR H H 30 8.136 8.136 7.280 0.856 17895 3629 1 14 . 1 1 31 31 ILE N N 31 118.828 118.828 121.957 -3.129 17895 3630 1 14 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.819 -0.034 17895 3631 1 14 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.925 -1.996 17895 3632 1 14 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.100 -1.123 17895 3633 1 14 . 1 1 31 31 ILE H H 31 7.162 7.162 7.767 -0.605 17895 3634 1 14 . 1 1 32 32 ASN N N 32 118.028 118.028 117.206 0.822 17895 3635 1 14 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.796 -0.466 17895 3636 1 14 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.725 3.470 17895 3637 1 14 . 1 1 32 32 ASN CB C 32 40.145 40.145 38.001 2.144 17895 3638 1 14 . 1 1 32 32 ASN H H 32 8.668 8.668 8.951 -0.283 17895 3639 1 14 . 1 1 33 33 GLY N N 33 124.941 124.941 108.168 16.773 17895 3640 1 14 . 1 1 33 33 GLY H H 33 8.656 8.656 7.732 0.924 17895 3641 1 14 . 1 1 34 34 ILE N N 34 122.198 122.198 122.768 -0.570 17895 3642 1 14 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.571 0.713 17895 3643 1 14 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.734 0.806 17895 3644 1 14 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.101 1.085 17895 3645 1 14 . 1 1 34 34 ILE H H 34 8.205 8.205 8.348 -0.143 17895 3646 1 14 . 1 1 35 35 GLU N N 35 120.651 120.651 118.462 2.189 17895 3647 1 14 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.202 0.011 17895 3648 1 14 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.796 1.796 17895 3649 1 14 . 1 1 35 35 GLU CB C 35 29.752 29.752 28.957 0.795 17895 3650 1 14 . 1 1 35 35 GLU H H 35 8.592 8.592 7.993 0.599 17895 3651 1 14 . 1 1 36 36 LYS N N 36 115.995 115.995 118.714 -2.719 17895 3652 1 14 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.116 0.386 17895 3653 1 14 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.716 -2.432 17895 3654 1 14 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.974 -0.135 17895 3655 1 14 . 1 1 36 36 LYS H H 36 8.111 8.111 7.622 0.489 17895 3656 1 14 . 1 1 37 37 ASN N N 37 114.563 114.563 108.748 5.815 17895 3657 1 14 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.601 0.147 17895 3658 1 14 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.382 2.306 17895 3659 1 14 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.849 -1.045 17895 3660 1 14 . 1 1 37 37 ASN H H 37 8.223 8.223 8.039 0.184 17895 3661 1 14 . 1 1 38 38 LYS N N 38 115.051 115.051 120.748 -5.697 17895 3662 1 14 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.875 0.546 17895 3663 1 14 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.675 1.321 17895 3664 1 14 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.897 1.239 17895 3665 1 14 . 1 1 38 38 LYS H H 38 8.734 8.734 7.548 1.186 17895 3666 1 14 . 1 1 39 39 TYR N N 39 116.976 116.976 117.710 -0.734 17895 3667 1 14 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.287 0.322 17895 3668 1 14 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.569 -1.192 17895 3669 1 14 . 1 1 39 39 TYR H H 39 7.089 7.089 7.233 -0.144 17895 3670 1 14 . 1 1 40 40 ASN N N 40 123.607 123.607 120.931 2.676 17895 3671 1 14 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.946 0.430 17895 3672 1 14 . 1 1 40 40 ASN H H 40 8.862 8.862 8.318 0.544 17895 3673 1 14 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.437 -0.648 17895 3674 1 14 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.706 0.764 17895 3675 1 14 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.265 0.196 17895 3676 1 14 . 1 1 42 42 SER N N 42 125.650 125.650 115.226 10.424 17895 3677 1 14 . 1 1 42 42 SER HA H 42 4.556 4.556 4.210 0.346 17895 3678 1 14 . 1 1 42 42 SER CA C 42 58.198 58.198 58.860 -0.662 17895 3679 1 14 . 1 1 42 42 SER H H 42 8.056 8.056 8.331 -0.275 17895 3680 1 14 . 1 1 43 43 LEU N N 43 120.689 120.689 125.730 -5.041 17895 3681 1 14 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.088 -0.175 17895 3682 1 14 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.629 0.616 17895 3683 1 14 . 1 1 43 43 LEU H H 43 9.296 9.296 8.727 0.569 17895 3684 1 14 . 1 1 44 44 GLN N N 44 115.960 115.960 119.292 -3.332 17895 3685 1 14 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.116 -0.419 17895 3686 1 14 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.246 1.626 17895 3687 1 14 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.090 1.060 17895 3688 1 14 . 1 1 44 44 GLN H H 44 8.915 8.915 8.656 0.259 17895 3689 1 14 . 1 1 45 45 LEU N N 45 119.431 119.431 120.145 -0.714 17895 3690 1 14 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.152 -0.260 17895 3691 1 14 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.740 -2.216 17895 3692 1 14 . 1 1 45 45 LEU H H 45 8.093 8.093 8.035 0.058 17895 3693 1 14 . 1 1 46 46 ALA N N 46 120.497 120.497 122.660 -2.163 17895 3694 1 14 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.237 -0.203 17895 3695 1 14 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.505 0.996 17895 3696 1 14 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.410 2.243 17895 3697 1 14 . 1 1 46 46 ALA H H 46 8.512 8.512 8.778 -0.266 17895 3698 1 14 . 1 1 47 47 LEU N N 47 116.461 116.461 118.885 -2.424 17895 3699 1 14 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.886 0.328 17895 3700 1 14 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.197 0.204 17895 3701 1 14 . 1 1 47 47 LEU H H 47 8.675 8.675 8.967 -0.292 17895 3702 1 14 . 1 1 48 48 LYS N N 48 120.970 120.970 120.306 0.664 17895 3703 1 14 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.136 -0.556 17895 3704 1 14 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.094 0.633 17895 3705 1 14 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.510 0.658 17895 3706 1 14 . 1 1 48 48 LYS H H 48 8.053 8.053 8.277 -0.224 17895 3707 1 14 . 1 1 49 49 ILE N N 49 120.407 120.407 120.574 -0.167 17895 3708 1 14 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.805 -0.207 17895 3709 1 14 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.171 2.931 17895 3710 1 14 . 1 1 49 49 ILE H H 49 8.783 8.783 8.480 0.303 17895 3711 1 14 . 1 1 50 50 ALA N N 50 120.445 120.445 123.710 -3.265 17895 3712 1 14 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.209 -0.139 17895 3713 1 14 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.085 1.315 17895 3714 1 14 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.392 0.513 17895 3715 1 14 . 1 1 50 50 ALA H H 50 8.182 8.182 8.611 -0.429 17895 3716 1 14 . 1 1 51 51 TYR N N 51 117.070 117.070 120.056 -2.986 17895 3717 1 14 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.024 0.329 17895 3718 1 14 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.761 0.592 17895 3719 1 14 . 1 1 51 51 TYR H H 51 8.170 8.170 8.476 -0.306 17895 3720 1 14 . 1 1 52 52 TYR N N 52 118.548 118.548 115.278 3.270 17895 3721 1 14 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.127 0.177 17895 3722 1 14 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.180 2.628 17895 3723 1 14 . 1 1 52 52 TYR H H 52 9.079 9.079 8.384 0.695 17895 3724 1 14 . 1 1 53 53 LEU N N 53 115.427 115.427 117.848 -2.421 17895 3725 1 14 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.140 0.396 17895 3726 1 14 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.098 -1.054 17895 3727 1 14 . 1 1 53 53 LEU H H 53 8.417 8.417 8.585 -0.168 17895 3728 1 14 . 1 1 54 54 ASN N N 54 122.105 122.105 117.186 4.919 17895 3729 1 14 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.422 0.027 17895 3730 1 14 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.348 0.343 17895 3731 1 14 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.148 1.483 17895 3732 1 14 . 1 1 54 54 ASN H H 54 8.090 8.090 8.323 -0.233 17895 3733 1 14 . 1 1 55 55 THR N N 55 114.929 114.929 115.250 -0.321 17895 3734 1 14 . 1 1 55 55 THR HA H 55 4.933 4.933 4.619 0.314 17895 3735 1 14 . 1 1 55 55 THR CA C 55 60.962 60.962 60.947 0.015 17895 3736 1 14 . 1 1 55 55 THR CB C 55 75.743 75.743 71.608 4.135 17895 3737 1 14 . 1 1 55 55 THR H H 55 8.255 8.255 7.986 0.269 17895 3738 1 14 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.544 0.052 17895 3739 1 14 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.709 0.895 17895 3740 1 14 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.414 0.505 17895 3741 1 14 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.109 -0.039 17895 3742 1 14 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.238 2.384 17895 3743 1 14 . 1 1 58 58 GLU N N 58 123.143 123.143 118.246 4.897 17895 3744 1 14 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.337 0.537 17895 3745 1 14 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.971 -0.472 17895 3746 1 14 . 1 1 58 58 GLU H H 58 9.365 9.365 8.760 0.605 17895 3747 1 14 . 1 1 59 59 ASP N N 59 117.681 117.681 118.126 -0.445 17895 3748 1 14 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.408 0.215 17895 3749 1 14 . 1 1 59 59 ASP CA C 59 56.462 56.462 57.156 -0.694 17895 3750 1 14 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.727 0.164 17895 3751 1 14 . 1 1 59 59 ASP H H 59 8.014 8.014 7.531 0.483 17895 3752 1 14 . 1 1 60 60 ILE N N 60 119.519 119.519 114.291 5.228 17895 3753 1 14 . 1 1 60 60 ILE H H 60 8.209 8.209 7.650 0.559 17895 3754 1 14 . 1 1 61 61 PHE N N 61 115.960 115.960 118.153 -2.193 17895 3755 1 14 . 1 1 61 61 PHE H H 61 8.532 8.532 8.221 0.311 17895 3756 1 14 . 1 1 62 62 GLN N N 62 116.724 116.724 125.923 -9.199 17895 3757 1 14 . 1 1 62 62 GLN H H 62 8.752 8.752 9.519 -0.767 17895 3758 1 14 . 1 1 63 63 TRP N N 63 125.611 125.611 125.566 0.045 17895 3759 1 14 . 1 1 63 63 TRP H H 63 9.476 9.476 8.164 1.312 17895 3760 1 14 . 1 1 64 64 GLN N N 64 127.087 127.087 122.010 5.077 17895 3761 1 14 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.550 -0.371 17895 3762 1 14 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.494 -0.092 17895 3763 1 14 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.263 2.310 17895 3764 1 14 . 1 1 64 64 GLN H H 64 7.989 7.989 8.031 -0.042 17895 3765 1 14 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.666 0.016 17895 3766 1 14 . 1 1 65 65 PRO CA C 65 62.514 62.514 65.036 -2.522 17895 3767 1 15 . 1 1 2 2 ILE N N 2 123.202 123.202 119.831 3.371 17895 3768 1 15 . 1 1 2 2 ILE CB C 2 40.032 40.032 37.801 2.231 17895 3769 1 15 . 1 1 2 2 ILE H H 2 9.148 9.148 8.069 1.079 17895 3770 1 15 . 1 1 3 3 ILE N N 3 108.681 108.681 126.070 -17.389 17895 3771 1 15 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.851 0.579 17895 3772 1 15 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.328 -1.417 17895 3773 1 15 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.909 1.646 17895 3774 1 15 . 1 1 3 3 ILE H H 3 9.416 9.416 7.920 1.496 17895 3775 1 15 . 1 1 4 4 ASN N N 4 123.966 123.966 110.726 13.240 17895 3776 1 15 . 1 1 4 4 ASN H H 4 9.081 9.081 8.723 0.358 17895 3777 1 15 . 1 1 5 5 ASN N N 5 120.745 120.745 114.151 6.594 17895 3778 1 15 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.498 0.931 17895 3779 1 15 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.967 -0.611 17895 3780 1 15 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.538 4.175 17895 3781 1 15 . 1 1 5 5 ASN H H 5 9.369 9.369 8.383 0.986 17895 3782 1 15 . 1 1 6 6 LEU N N 6 120.594 120.594 121.783 -1.189 17895 3783 1 15 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.775 -0.009 17895 3784 1 15 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.250 2.349 17895 3785 1 15 . 1 1 6 6 LEU H H 6 8.538 8.538 7.405 1.133 17895 3786 1 15 . 1 1 7 7 LYS N N 7 118.177 118.177 118.169 0.008 17895 3787 1 15 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.957 -0.049 17895 3788 1 15 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.028 2.278 17895 3789 1 15 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.982 2.221 17895 3790 1 15 . 1 1 7 7 LYS H H 7 8.940 8.940 7.706 1.234 17895 3791 1 15 . 1 1 8 8 LEU N N 8 116.356 116.356 120.247 -3.891 17895 3792 1 15 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.361 -0.189 17895 3793 1 15 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.956 1.334 17895 3794 1 15 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.893 2.035 17895 3795 1 15 . 1 1 8 8 LEU H H 8 7.687 7.687 7.530 0.157 17895 3796 1 15 . 1 1 9 9 ILE N N 9 119.134 119.134 118.461 0.673 17895 3797 1 15 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.604 0.209 17895 3798 1 15 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.971 -1.113 17895 3799 1 15 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.543 0.287 17895 3800 1 15 . 1 1 9 9 ILE H H 9 8.225 8.225 7.109 1.116 17895 3801 1 15 . 1 1 10 10 ARG N N 10 120.162 120.162 120.954 -0.792 17895 3802 1 15 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.849 0.030 17895 3803 1 15 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.636 2.032 17895 3804 1 15 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.207 -0.808 17895 3805 1 15 . 1 1 10 10 ARG H H 10 9.259 9.259 8.808 0.451 17895 3806 1 15 . 1 1 11 11 GLU N N 11 115.878 115.878 118.000 -2.122 17895 3807 1 15 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.166 0.006 17895 3808 1 15 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.652 1.634 17895 3809 1 15 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.830 0.984 17895 3810 1 15 . 1 1 11 11 GLU H H 11 8.703 8.703 8.589 0.114 17895 3811 1 15 . 1 1 12 12 LYS N N 12 122.935 122.935 122.755 0.180 17895 3812 1 15 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.072 0.134 17895 3813 1 15 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.867 1.409 17895 3814 1 15 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.622 0.276 17895 3815 1 15 . 1 1 12 12 LYS H H 12 8.256 8.256 7.954 0.302 17895 3816 1 15 . 1 1 13 13 LYS N N 13 116.350 116.350 116.043 0.307 17895 3817 1 15 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.450 -0.154 17895 3818 1 15 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.345 0.586 17895 3819 1 15 . 1 1 13 13 LYS CB C 13 32.449 32.449 31.921 0.528 17895 3820 1 15 . 1 1 13 13 LYS H H 13 7.813 7.813 7.482 0.331 17895 3821 1 15 . 1 1 14 14 LYS N N 14 115.317 115.317 115.419 -0.102 17895 3822 1 15 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.951 0.012 17895 3823 1 15 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.858 0.930 17895 3824 1 15 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.526 -0.478 17895 3825 1 15 . 1 1 14 14 LYS H H 14 8.068 8.068 7.980 0.088 17895 3826 1 15 . 1 1 15 15 ILE N N 15 118.373 118.373 120.570 -2.197 17895 3827 1 15 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.286 0.326 17895 3828 1 15 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.640 1.418 17895 3829 1 15 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.050 3.746 17895 3830 1 15 . 1 1 15 15 ILE H H 15 7.573 7.573 8.420 -0.847 17895 3831 1 15 . 1 1 16 16 SER N N 16 125.057 125.057 124.400 0.657 17895 3832 1 15 . 1 1 16 16 SER HA H 16 4.566 4.566 4.637 -0.071 17895 3833 1 15 . 1 1 16 16 SER CA C 16 57.781 57.781 58.099 -0.318 17895 3834 1 15 . 1 1 16 16 SER H H 16 9.457 9.457 8.277 1.180 17895 3835 1 15 . 1 1 17 17 GLN N N 17 120.197 120.197 123.721 -3.524 17895 3836 1 15 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.031 -0.253 17895 3837 1 15 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.799 2.863 17895 3838 1 15 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.097 1.564 17895 3839 1 15 . 1 1 17 17 GLN H H 17 9.544 9.544 9.045 0.499 17895 3840 1 15 . 1 1 18 18 SER N N 18 112.998 112.998 114.873 -1.875 17895 3841 1 15 . 1 1 18 18 SER H H 18 8.985 8.985 8.743 0.242 17895 3842 1 15 . 1 1 19 19 GLU N N 19 124.112 124.112 121.285 2.827 17895 3843 1 15 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.115 -0.009 17895 3844 1 15 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.685 0.827 17895 3845 1 15 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.102 1.337 17895 3846 1 15 . 1 1 19 19 GLU H H 19 8.349 8.349 8.348 0.001 17895 3847 1 15 . 1 1 20 20 LEU N N 20 119.955 119.955 122.414 -2.459 17895 3848 1 15 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.949 0.177 17895 3849 1 15 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.006 0.386 17895 3850 1 15 . 1 1 20 20 LEU H H 20 8.321 8.321 8.264 0.057 17895 3851 1 15 . 1 1 21 21 ALA N N 21 119.830 119.830 121.188 -1.358 17895 3852 1 15 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.931 -0.222 17895 3853 1 15 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.456 0.816 17895 3854 1 15 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.847 -0.112 17895 3855 1 15 . 1 1 21 21 ALA H H 21 8.595 8.595 8.720 -0.125 17895 3856 1 15 . 1 1 22 22 ALA N N 22 117.258 117.258 120.736 -3.478 17895 3857 1 15 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.013 0.250 17895 3858 1 15 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.640 0.869 17895 3859 1 15 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.422 0.108 17895 3860 1 15 . 1 1 22 22 ALA H H 22 7.818 7.818 7.282 0.536 17895 3861 1 15 . 1 1 23 23 LEU N N 23 118.586 118.586 118.362 0.224 17895 3862 1 15 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.930 0.030 17895 3863 1 15 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.982 1.018 17895 3864 1 15 . 1 1 23 23 LEU H H 23 7.537 7.537 7.839 -0.302 17895 3865 1 15 . 1 1 24 24 LEU N N 24 114.488 114.488 114.538 -0.050 17895 3866 1 15 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.255 0.008 17895 3867 1 15 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.980 -0.286 17895 3868 1 15 . 1 1 24 24 LEU H H 24 7.448 7.448 8.142 -0.694 17895 3869 1 15 . 1 1 25 25 GLU N N 25 114.895 114.895 113.459 1.436 17895 3870 1 15 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.030 -0.065 17895 3871 1 15 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.343 0.705 17895 3872 1 15 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.532 0.361 17895 3873 1 15 . 1 1 25 25 GLU H H 25 8.028 8.028 8.011 0.017 17895 3874 1 15 . 1 1 26 26 VAL N N 26 109.697 109.697 112.017 -2.320 17895 3875 1 15 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.498 0.375 17895 3876 1 15 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.659 -0.478 17895 3877 1 15 . 1 1 26 26 VAL H H 26 7.990 7.990 7.739 0.251 17895 3878 1 15 . 1 1 27 27 SER N N 27 114.369 114.369 117.233 -2.864 17895 3879 1 15 . 1 1 27 27 SER HA H 27 4.643 4.643 4.514 0.129 17895 3880 1 15 . 1 1 27 27 SER CA C 27 57.345 57.345 58.553 -1.208 17895 3881 1 15 . 1 1 27 27 SER CB C 27 63.110 63.110 63.730 -0.620 17895 3882 1 15 . 1 1 27 27 SER H H 27 8.633 8.633 8.390 0.243 17895 3883 1 15 . 1 1 28 28 ARG N N 28 115.276 115.276 127.020 -11.744 17895 3884 1 15 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.914 -0.186 17895 3885 1 15 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.328 0.430 17895 3886 1 15 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.971 -0.021 17895 3887 1 15 . 1 1 28 28 ARG H H 28 8.236 8.236 8.976 -0.740 17895 3888 1 15 . 1 1 29 29 GLN N N 29 117.309 117.309 116.174 1.135 17895 3889 1 15 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.133 0.020 17895 3890 1 15 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.989 1.024 17895 3891 1 15 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.353 1.115 17895 3892 1 15 . 1 1 29 29 GLN H H 29 8.835 8.835 8.825 0.010 17895 3893 1 15 . 1 1 30 30 THR N N 30 119.984 119.984 115.491 4.493 17895 3894 1 15 . 1 1 30 30 THR HA H 30 4.418 4.418 4.011 0.407 17895 3895 1 15 . 1 1 30 30 THR CA C 30 68.600 68.600 65.246 3.354 17895 3896 1 15 . 1 1 30 30 THR CB C 30 67.556 67.556 68.091 -0.535 17895 3897 1 15 . 1 1 30 30 THR H H 30 8.136 8.136 7.458 0.678 17895 3898 1 15 . 1 1 31 31 ILE N N 31 118.828 118.828 122.632 -3.804 17895 3899 1 15 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.768 0.017 17895 3900 1 15 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.836 -1.907 17895 3901 1 15 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.826 -0.849 17895 3902 1 15 . 1 1 31 31 ILE H H 31 7.162 7.162 7.497 -0.335 17895 3903 1 15 . 1 1 32 32 ASN N N 32 118.028 118.028 117.390 0.638 17895 3904 1 15 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.486 -0.156 17895 3905 1 15 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.708 2.487 17895 3906 1 15 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.742 2.402 17895 3907 1 15 . 1 1 32 32 ASN H H 32 8.668 8.668 8.470 0.198 17895 3908 1 15 . 1 1 33 33 GLY N N 33 124.941 124.941 109.332 15.609 17895 3909 1 15 . 1 1 33 33 GLY H H 33 8.656 8.656 7.455 1.201 17895 3910 1 15 . 1 1 34 34 ILE N N 34 122.198 122.198 123.444 -1.246 17895 3911 1 15 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.666 0.618 17895 3912 1 15 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.706 0.834 17895 3913 1 15 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.026 1.160 17895 3914 1 15 . 1 1 34 34 ILE H H 34 8.205 8.205 8.488 -0.283 17895 3915 1 15 . 1 1 35 35 GLU N N 35 120.651 120.651 117.186 3.465 17895 3916 1 15 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.287 -0.074 17895 3917 1 15 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.761 1.831 17895 3918 1 15 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.301 0.451 17895 3919 1 15 . 1 1 35 35 GLU H H 35 8.592 8.592 8.156 0.436 17895 3920 1 15 . 1 1 36 36 LYS N N 36 115.995 115.995 120.189 -4.194 17895 3921 1 15 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.058 0.444 17895 3922 1 15 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.070 -2.786 17895 3923 1 15 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.958 -0.119 17895 3924 1 15 . 1 1 36 36 LYS H H 36 8.111 8.111 7.658 0.453 17895 3925 1 15 . 1 1 37 37 ASN N N 37 114.563 114.563 109.399 5.164 17895 3926 1 15 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.646 0.102 17895 3927 1 15 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.360 2.328 17895 3928 1 15 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.383 -1.579 17895 3929 1 15 . 1 1 37 37 ASN H H 37 8.223 8.223 8.399 -0.176 17895 3930 1 15 . 1 1 38 38 LYS N N 38 115.051 115.051 122.069 -7.018 17895 3931 1 15 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.055 0.366 17895 3932 1 15 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.128 0.868 17895 3933 1 15 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.357 0.779 17895 3934 1 15 . 1 1 38 38 LYS H H 38 8.734 8.734 8.099 0.635 17895 3935 1 15 . 1 1 39 39 TYR N N 39 116.976 116.976 118.922 -1.946 17895 3936 1 15 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.279 0.330 17895 3937 1 15 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.235 -0.858 17895 3938 1 15 . 1 1 39 39 TYR H H 39 7.089 7.089 7.927 -0.838 17895 3939 1 15 . 1 1 40 40 ASN N N 40 123.607 123.607 119.946 3.661 17895 3940 1 15 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.479 0.897 17895 3941 1 15 . 1 1 40 40 ASN H H 40 8.862 8.862 8.346 0.516 17895 3942 1 15 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.480 -0.691 17895 3943 1 15 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.488 0.982 17895 3944 1 15 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.344 0.117 17895 3945 1 15 . 1 1 42 42 SER N N 42 125.650 125.650 115.989 9.661 17895 3946 1 15 . 1 1 42 42 SER HA H 42 4.556 4.556 4.330 0.226 17895 3947 1 15 . 1 1 42 42 SER CA C 42 58.198 58.198 58.596 -0.398 17895 3948 1 15 . 1 1 42 42 SER H H 42 8.056 8.056 8.237 -0.181 17895 3949 1 15 . 1 1 43 43 LEU N N 43 120.689 120.689 123.446 -2.757 17895 3950 1 15 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.019 -0.106 17895 3951 1 15 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.688 0.557 17895 3952 1 15 . 1 1 43 43 LEU H H 43 9.296 9.296 8.703 0.593 17895 3953 1 15 . 1 1 44 44 GLN N N 44 115.960 115.960 117.978 -2.018 17895 3954 1 15 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.096 -0.399 17895 3955 1 15 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.059 1.813 17895 3956 1 15 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.324 0.826 17895 3957 1 15 . 1 1 44 44 GLN H H 44 8.915 8.915 8.654 0.261 17895 3958 1 15 . 1 1 45 45 LEU N N 45 119.431 119.431 121.337 -1.906 17895 3959 1 15 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.099 -0.207 17895 3960 1 15 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.855 -2.331 17895 3961 1 15 . 1 1 45 45 LEU H H 45 8.093 8.093 7.592 0.501 17895 3962 1 15 . 1 1 46 46 ALA N N 46 120.497 120.497 122.410 -1.913 17895 3963 1 15 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.956 0.078 17895 3964 1 15 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.415 1.086 17895 3965 1 15 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.137 2.516 17895 3966 1 15 . 1 1 46 46 ALA H H 46 8.512 8.512 8.743 -0.231 17895 3967 1 15 . 1 1 47 47 LEU N N 47 116.461 116.461 118.756 -2.295 17895 3968 1 15 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.891 0.323 17895 3969 1 15 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.048 0.353 17895 3970 1 15 . 1 1 47 47 LEU H H 47 8.675 8.675 8.338 0.337 17895 3971 1 15 . 1 1 48 48 LYS N N 48 120.970 120.970 119.593 1.377 17895 3972 1 15 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.219 -0.639 17895 3973 1 15 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.062 0.665 17895 3974 1 15 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.495 0.673 17895 3975 1 15 . 1 1 48 48 LYS H H 48 8.053 8.053 8.227 -0.174 17895 3976 1 15 . 1 1 49 49 ILE N N 49 120.407 120.407 120.558 -0.151 17895 3977 1 15 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.780 -0.182 17895 3978 1 15 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.830 2.272 17895 3979 1 15 . 1 1 49 49 ILE H H 49 8.783 8.783 8.687 0.096 17895 3980 1 15 . 1 1 50 50 ALA N N 50 120.445 120.445 122.680 -2.235 17895 3981 1 15 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.065 0.005 17895 3982 1 15 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.175 1.226 17895 3983 1 15 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.350 0.555 17895 3984 1 15 . 1 1 50 50 ALA H H 50 8.182 8.182 8.616 -0.434 17895 3985 1 15 . 1 1 51 51 TYR N N 51 117.070 117.070 120.750 -3.680 17895 3986 1 15 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.109 0.244 17895 3987 1 15 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.256 1.097 17895 3988 1 15 . 1 1 51 51 TYR H H 51 8.170 8.170 8.413 -0.243 17895 3989 1 15 . 1 1 52 52 TYR N N 52 118.548 118.548 119.203 -0.655 17895 3990 1 15 . 1 1 52 52 TYR HA H 52 4.304 4.304 3.369 0.935 17895 3991 1 15 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.171 3.637 17895 3992 1 15 . 1 1 52 52 TYR H H 52 9.079 9.079 7.919 1.160 17895 3993 1 15 . 1 1 53 53 LEU N N 53 115.427 115.427 117.641 -2.214 17895 3994 1 15 . 1 1 53 53 LEU HA H 53 4.536 4.536 3.690 0.846 17895 3995 1 15 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.602 -1.558 17895 3996 1 15 . 1 1 53 53 LEU H H 53 8.417 8.417 8.430 -0.013 17895 3997 1 15 . 1 1 54 54 ASN N N 54 122.105 122.105 114.500 7.605 17895 3998 1 15 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.420 0.029 17895 3999 1 15 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.164 0.527 17895 4000 1 15 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.215 1.416 17895 4001 1 15 . 1 1 54 54 ASN H H 54 8.090 8.090 8.254 -0.164 17895 4002 1 15 . 1 1 55 55 THR N N 55 114.929 114.929 114.845 0.084 17895 4003 1 15 . 1 1 55 55 THR HA H 55 4.933 4.933 4.832 0.101 17895 4004 1 15 . 1 1 55 55 THR CA C 55 60.962 60.962 59.844 1.118 17895 4005 1 15 . 1 1 55 55 THR CB C 55 75.743 75.743 70.352 5.391 17895 4006 1 15 . 1 1 55 55 THR H H 55 8.255 8.255 7.922 0.333 17895 4007 1 15 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.548 0.048 17895 4008 1 15 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.405 1.199 17895 4009 1 15 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.602 0.317 17895 4010 1 15 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.180 -0.110 17895 4011 1 15 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.153 2.469 17895 4012 1 15 . 1 1 58 58 GLU N N 58 123.143 123.143 118.080 5.063 17895 4013 1 15 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.273 0.601 17895 4014 1 15 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.385 0.114 17895 4015 1 15 . 1 1 58 58 GLU H H 58 9.365 9.365 8.593 0.772 17895 4016 1 15 . 1 1 59 59 ASP N N 59 117.681 117.681 117.340 0.341 17895 4017 1 15 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.437 0.186 17895 4018 1 15 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.459 0.003 17895 4019 1 15 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.578 0.312 17895 4020 1 15 . 1 1 59 59 ASP H H 59 8.014 8.014 7.744 0.270 17895 4021 1 15 . 1 1 60 60 ILE N N 60 119.519 119.519 114.842 4.677 17895 4022 1 15 . 1 1 60 60 ILE H H 60 8.209 8.209 7.396 0.813 17895 4023 1 15 . 1 1 61 61 PHE N N 61 115.960 115.960 119.405 -3.445 17895 4024 1 15 . 1 1 61 61 PHE H H 61 8.532 8.532 8.400 0.132 17895 4025 1 15 . 1 1 62 62 GLN N N 62 116.724 116.724 122.134 -5.410 17895 4026 1 15 . 1 1 62 62 GLN H H 62 8.752 8.752 8.335 0.417 17895 4027 1 15 . 1 1 63 63 TRP N N 63 125.611 125.611 127.182 -1.571 17895 4028 1 15 . 1 1 63 63 TRP H H 63 9.476 9.476 8.924 0.552 17895 4029 1 15 . 1 1 64 64 GLN N N 64 127.087 127.087 126.180 0.907 17895 4030 1 15 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.604 -0.425 17895 4031 1 15 . 1 1 64 64 GLN CA C 64 52.402 52.402 54.300 -1.898 17895 4032 1 15 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.010 2.563 17895 4033 1 15 . 1 1 64 64 GLN H H 64 7.989 7.989 9.131 -1.142 17895 4034 1 15 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.541 0.141 17895 4035 1 15 . 1 1 65 65 PRO CA C 65 62.514 62.514 62.726 -0.212 17895 4036 1 16 . 1 1 2 2 ILE N N 2 123.202 123.202 118.530 4.672 17895 4037 1 16 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.542 -0.510 17895 4038 1 16 . 1 1 2 2 ILE H H 2 9.148 9.148 7.987 1.161 17895 4039 1 16 . 1 1 3 3 ILE N N 3 108.681 108.681 116.389 -7.708 17895 4040 1 16 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.809 0.621 17895 4041 1 16 . 1 1 3 3 ILE CA C 3 60.911 60.911 61.855 -0.944 17895 4042 1 16 . 1 1 3 3 ILE CB C 3 39.555 39.555 35.347 4.208 17895 4043 1 16 . 1 1 3 3 ILE H H 3 9.416 9.416 8.453 0.963 17895 4044 1 16 . 1 1 4 4 ASN N N 4 123.966 123.966 122.208 1.758 17895 4045 1 16 . 1 1 4 4 ASN H H 4 9.081 9.081 8.728 0.353 17895 4046 1 16 . 1 1 5 5 ASN N N 5 120.745 120.745 119.964 0.781 17895 4047 1 16 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.691 0.738 17895 4048 1 16 . 1 1 5 5 ASN CA C 5 52.356 52.356 51.976 0.380 17895 4049 1 16 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.064 2.649 17895 4050 1 16 . 1 1 5 5 ASN H H 5 9.369 9.369 8.279 1.090 17895 4051 1 16 . 1 1 6 6 LEU N N 6 120.594 120.594 122.646 -2.052 17895 4052 1 16 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.818 -0.052 17895 4053 1 16 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.046 2.553 17895 4054 1 16 . 1 1 6 6 LEU H H 6 8.538 8.538 7.849 0.689 17895 4055 1 16 . 1 1 7 7 LYS N N 7 118.177 118.177 118.403 -0.226 17895 4056 1 16 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.876 0.032 17895 4057 1 16 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.950 2.356 17895 4058 1 16 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.202 3.001 17895 4059 1 16 . 1 1 7 7 LYS H H 7 8.940 8.940 8.397 0.543 17895 4060 1 16 . 1 1 8 8 LEU N N 8 116.356 116.356 120.022 -3.666 17895 4061 1 16 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.079 0.093 17895 4062 1 16 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.320 0.970 17895 4063 1 16 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.523 2.405 17895 4064 1 16 . 1 1 8 8 LEU H H 8 7.687 7.687 7.685 0.002 17895 4065 1 16 . 1 1 9 9 ILE N N 9 119.134 119.134 118.161 0.973 17895 4066 1 16 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.557 0.256 17895 4067 1 16 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.203 -1.345 17895 4068 1 16 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.554 0.276 17895 4069 1 16 . 1 1 9 9 ILE H H 9 8.225 8.225 7.174 1.051 17895 4070 1 16 . 1 1 10 10 ARG N N 10 120.162 120.162 121.029 -0.867 17895 4071 1 16 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.902 -0.023 17895 4072 1 16 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.483 2.186 17895 4073 1 16 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.265 -0.866 17895 4074 1 16 . 1 1 10 10 ARG H H 10 9.259 9.259 8.808 0.451 17895 4075 1 16 . 1 1 11 11 GLU N N 11 115.878 115.878 118.685 -2.807 17895 4076 1 16 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.100 0.072 17895 4077 1 16 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.061 1.225 17895 4078 1 16 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.780 1.034 17895 4079 1 16 . 1 1 11 11 GLU H H 11 8.703 8.703 9.022 -0.319 17895 4080 1 16 . 1 1 12 12 LYS N N 12 122.935 122.935 121.832 1.103 17895 4081 1 16 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.987 0.219 17895 4082 1 16 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.381 0.894 17895 4083 1 16 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.430 0.468 17895 4084 1 16 . 1 1 12 12 LYS H H 12 8.256 8.256 8.087 0.169 17895 4085 1 16 . 1 1 13 13 LYS N N 13 116.350 116.350 116.487 -0.137 17895 4086 1 16 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.230 0.066 17895 4087 1 16 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.351 -0.420 17895 4088 1 16 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.712 -0.263 17895 4089 1 16 . 1 1 13 13 LYS H H 13 7.813 7.813 7.572 0.241 17895 4090 1 16 . 1 1 14 14 LYS N N 14 115.317 115.317 115.421 -0.104 17895 4091 1 16 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.008 -0.045 17895 4092 1 16 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.651 1.137 17895 4093 1 16 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.984 -0.936 17895 4094 1 16 . 1 1 14 14 LYS H H 14 8.068 8.068 7.538 0.530 17895 4095 1 16 . 1 1 15 15 ILE N N 15 118.373 118.373 120.876 -2.503 17895 4096 1 16 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.206 0.406 17895 4097 1 16 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.457 1.601 17895 4098 1 16 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.021 3.775 17895 4099 1 16 . 1 1 15 15 ILE H H 15 7.573 7.573 8.686 -1.113 17895 4100 1 16 . 1 1 16 16 SER N N 16 125.057 125.057 124.026 1.031 17895 4101 1 16 . 1 1 16 16 SER HA H 16 4.566 4.566 4.654 -0.088 17895 4102 1 16 . 1 1 16 16 SER CA C 16 57.781 57.781 58.578 -0.797 17895 4103 1 16 . 1 1 16 16 SER H H 16 9.457 9.457 9.832 -0.375 17895 4104 1 16 . 1 1 17 17 GLN N N 17 120.197 120.197 125.644 -5.447 17895 4105 1 16 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.019 -0.241 17895 4106 1 16 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.972 2.690 17895 4107 1 16 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.376 1.285 17895 4108 1 16 . 1 1 17 17 GLN H H 17 9.544 9.544 9.079 0.465 17895 4109 1 16 . 1 1 18 18 SER N N 18 112.998 112.998 115.213 -2.215 17895 4110 1 16 . 1 1 18 18 SER H H 18 8.985 8.985 8.629 0.356 17895 4111 1 16 . 1 1 19 19 GLU N N 19 124.112 124.112 122.390 1.722 17895 4112 1 16 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.108 -0.002 17895 4113 1 16 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.735 0.778 17895 4114 1 16 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.891 1.548 17895 4115 1 16 . 1 1 19 19 GLU H H 19 8.349 8.349 8.433 -0.084 17895 4116 1 16 . 1 1 20 20 LEU N N 20 119.955 119.955 121.904 -1.949 17895 4117 1 16 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.944 0.182 17895 4118 1 16 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.490 -0.098 17895 4119 1 16 . 1 1 20 20 LEU H H 20 8.321 8.321 8.181 0.140 17895 4120 1 16 . 1 1 21 21 ALA N N 21 119.830 119.830 121.159 -1.329 17895 4121 1 16 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.886 -0.177 17895 4122 1 16 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.226 1.046 17895 4123 1 16 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.760 -0.025 17895 4124 1 16 . 1 1 21 21 ALA H H 21 8.595 8.595 8.804 -0.209 17895 4125 1 16 . 1 1 22 22 ALA N N 22 117.258 117.258 121.763 -4.505 17895 4126 1 16 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.960 0.303 17895 4127 1 16 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.871 0.638 17895 4128 1 16 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.462 0.068 17895 4129 1 16 . 1 1 22 22 ALA H H 22 7.818 7.818 8.097 -0.279 17895 4130 1 16 . 1 1 23 23 LEU N N 23 118.586 118.586 118.257 0.329 17895 4131 1 16 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.616 0.344 17895 4132 1 16 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.135 0.865 17895 4133 1 16 . 1 1 23 23 LEU H H 23 7.537 7.537 8.067 -0.530 17895 4134 1 16 . 1 1 24 24 LEU N N 24 114.488 114.488 114.489 -0.001 17895 4135 1 16 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.042 0.221 17895 4136 1 16 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.012 -0.318 17895 4137 1 16 . 1 1 24 24 LEU H H 24 7.448 7.448 8.026 -0.578 17895 4138 1 16 . 1 1 25 25 GLU N N 25 114.895 114.895 112.723 2.172 17895 4139 1 16 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.036 -0.071 17895 4140 1 16 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.107 0.941 17895 4141 1 16 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.534 0.359 17895 4142 1 16 . 1 1 25 25 GLU H H 25 8.028 8.028 7.910 0.118 17895 4143 1 16 . 1 1 26 26 VAL N N 26 109.697 109.697 112.826 -3.129 17895 4144 1 16 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.553 0.320 17895 4145 1 16 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.063 0.117 17895 4146 1 16 . 1 1 26 26 VAL H H 26 7.990 7.990 7.829 0.161 17895 4147 1 16 . 1 1 27 27 SER N N 27 114.369 114.369 115.524 -1.155 17895 4148 1 16 . 1 1 27 27 SER HA H 27 4.643 4.643 4.522 0.121 17895 4149 1 16 . 1 1 27 27 SER CA C 27 57.345 57.345 57.003 0.342 17895 4150 1 16 . 1 1 27 27 SER CB C 27 63.110 63.110 64.565 -1.455 17895 4151 1 16 . 1 1 27 27 SER H H 27 8.633 8.633 8.477 0.156 17895 4152 1 16 . 1 1 28 28 ARG N N 28 115.276 115.276 128.702 -13.426 17895 4153 1 16 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.983 -0.255 17895 4154 1 16 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.975 0.783 17895 4155 1 16 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.131 -0.180 17895 4156 1 16 . 1 1 28 28 ARG H H 28 8.236 8.236 9.031 -0.795 17895 4157 1 16 . 1 1 29 29 GLN N N 29 117.309 117.309 116.666 0.643 17895 4158 1 16 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.013 0.140 17895 4159 1 16 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.626 1.387 17895 4160 1 16 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.808 0.660 17895 4161 1 16 . 1 1 29 29 GLN H H 29 8.835 8.835 8.439 0.396 17895 4162 1 16 . 1 1 30 30 THR N N 30 119.984 119.984 115.800 4.184 17895 4163 1 16 . 1 1 30 30 THR HA H 30 4.418 4.418 4.130 0.288 17895 4164 1 16 . 1 1 30 30 THR CA C 30 68.600 68.600 65.039 3.561 17895 4165 1 16 . 1 1 30 30 THR CB C 30 67.556 67.556 68.781 -1.225 17895 4166 1 16 . 1 1 30 30 THR H H 30 8.136 8.136 7.574 0.562 17895 4167 1 16 . 1 1 31 31 ILE N N 31 118.828 118.828 122.910 -4.082 17895 4168 1 16 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.703 0.082 17895 4169 1 16 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.794 -1.865 17895 4170 1 16 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.736 -0.759 17895 4171 1 16 . 1 1 31 31 ILE H H 31 7.162 7.162 7.536 -0.374 17895 4172 1 16 . 1 1 32 32 ASN N N 32 118.028 118.028 118.459 -0.431 17895 4173 1 16 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.537 -0.207 17895 4174 1 16 . 1 1 32 32 ASN CA C 32 58.195 58.195 56.348 1.847 17895 4175 1 16 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.757 2.388 17895 4176 1 16 . 1 1 32 32 ASN H H 32 8.668 8.668 8.871 -0.203 17895 4177 1 16 . 1 1 33 33 GLY N N 33 124.941 124.941 108.918 16.023 17895 4178 1 16 . 1 1 33 33 GLY H H 33 8.656 8.656 7.658 0.998 17895 4179 1 16 . 1 1 34 34 ILE N N 34 122.198 122.198 122.832 -0.634 17895 4180 1 16 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.451 0.833 17895 4181 1 16 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.881 0.659 17895 4182 1 16 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.930 1.256 17895 4183 1 16 . 1 1 34 34 ILE H H 34 8.205 8.205 8.390 -0.185 17895 4184 1 16 . 1 1 35 35 GLU N N 35 120.651 120.651 119.580 1.071 17895 4185 1 16 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.290 -0.077 17895 4186 1 16 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.672 1.921 17895 4187 1 16 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.210 0.542 17895 4188 1 16 . 1 1 35 35 GLU H H 35 8.592 8.592 8.196 0.396 17895 4189 1 16 . 1 1 36 36 LYS N N 36 115.995 115.995 120.021 -4.026 17895 4190 1 16 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.061 0.441 17895 4191 1 16 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.108 -2.824 17895 4192 1 16 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.194 -0.355 17895 4193 1 16 . 1 1 36 36 LYS H H 36 8.111 8.111 8.405 -0.294 17895 4194 1 16 . 1 1 37 37 ASN N N 37 114.563 114.563 110.316 4.247 17895 4195 1 16 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.727 0.021 17895 4196 1 16 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.078 2.610 17895 4197 1 16 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.438 -1.634 17895 4198 1 16 . 1 1 37 37 ASN H H 37 8.223 8.223 8.331 -0.108 17895 4199 1 16 . 1 1 38 38 LYS N N 38 115.051 115.051 120.414 -5.363 17895 4200 1 16 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.518 -0.097 17895 4201 1 16 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.698 2.298 17895 4202 1 16 . 1 1 38 38 LYS CB C 38 34.136 34.136 34.990 -0.854 17895 4203 1 16 . 1 1 38 38 LYS H H 38 8.734 8.734 7.846 0.888 17895 4204 1 16 . 1 1 39 39 TYR N N 39 116.976 116.976 118.469 -1.493 17895 4205 1 16 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.355 0.254 17895 4206 1 16 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.094 -0.717 17895 4207 1 16 . 1 1 39 39 TYR H H 39 7.089 7.089 8.318 -1.229 17895 4208 1 16 . 1 1 40 40 ASN N N 40 123.607 123.607 119.829 3.778 17895 4209 1 16 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.612 0.763 17895 4210 1 16 . 1 1 40 40 ASN H H 40 8.862 8.862 8.437 0.425 17895 4211 1 16 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.424 -0.635 17895 4212 1 16 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.563 0.907 17895 4213 1 16 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.313 0.148 17895 4214 1 16 . 1 1 42 42 SER N N 42 125.650 125.650 115.861 9.789 17895 4215 1 16 . 1 1 42 42 SER HA H 42 4.556 4.556 4.367 0.189 17895 4216 1 16 . 1 1 42 42 SER CA C 42 58.198 58.198 57.994 0.204 17895 4217 1 16 . 1 1 42 42 SER H H 42 8.056 8.056 8.296 -0.240 17895 4218 1 16 . 1 1 43 43 LEU N N 43 120.689 120.689 124.028 -3.339 17895 4219 1 16 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.946 -0.033 17895 4220 1 16 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.799 0.446 17895 4221 1 16 . 1 1 43 43 LEU H H 43 9.296 9.296 8.790 0.505 17895 4222 1 16 . 1 1 44 44 GLN N N 44 115.960 115.960 119.960 -4.000 17895 4223 1 16 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.167 -0.470 17895 4224 1 16 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.904 1.968 17895 4225 1 16 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.573 0.577 17895 4226 1 16 . 1 1 44 44 GLN H H 44 8.915 8.915 8.486 0.429 17895 4227 1 16 . 1 1 45 45 LEU N N 45 119.431 119.431 120.232 -0.801 17895 4228 1 16 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.099 -0.207 17895 4229 1 16 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.840 -2.316 17895 4230 1 16 . 1 1 45 45 LEU H H 45 8.093 8.093 8.104 -0.011 17895 4231 1 16 . 1 1 46 46 ALA N N 46 120.497 120.497 122.332 -1.835 17895 4232 1 16 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.935 0.099 17895 4233 1 16 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.294 1.207 17895 4234 1 16 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.228 2.425 17895 4235 1 16 . 1 1 46 46 ALA H H 46 8.512 8.512 8.506 0.006 17895 4236 1 16 . 1 1 47 47 LEU N N 47 116.461 116.461 119.050 -2.589 17895 4237 1 16 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.691 0.523 17895 4238 1 16 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.234 0.167 17895 4239 1 16 . 1 1 47 47 LEU H H 47 8.675 8.675 8.873 -0.198 17895 4240 1 16 . 1 1 48 48 LYS N N 48 120.970 120.970 119.888 1.082 17895 4241 1 16 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.292 -0.712 17895 4242 1 16 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.275 0.452 17895 4243 1 16 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.500 0.668 17895 4244 1 16 . 1 1 48 48 LYS H H 48 8.053 8.053 8.528 -0.475 17895 4245 1 16 . 1 1 49 49 ILE N N 49 120.407 120.407 120.294 0.113 17895 4246 1 16 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.791 -0.193 17895 4247 1 16 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.045 3.057 17895 4248 1 16 . 1 1 49 49 ILE H H 49 8.783 8.783 8.349 0.434 17895 4249 1 16 . 1 1 50 50 ALA N N 50 120.445 120.445 123.495 -3.050 17895 4250 1 16 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.125 -0.055 17895 4251 1 16 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.024 1.376 17895 4252 1 16 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.259 0.646 17895 4253 1 16 . 1 1 50 50 ALA H H 50 8.182 8.182 8.502 -0.320 17895 4254 1 16 . 1 1 51 51 TYR N N 51 117.070 117.070 117.938 -0.868 17895 4255 1 16 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.124 0.229 17895 4256 1 16 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.597 0.756 17895 4257 1 16 . 1 1 51 51 TYR H H 51 8.170 8.170 8.552 -0.382 17895 4258 1 16 . 1 1 52 52 TYR N N 52 118.548 118.548 116.337 2.211 17895 4259 1 16 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.312 -0.008 17895 4260 1 16 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.496 2.312 17895 4261 1 16 . 1 1 52 52 TYR H H 52 9.079 9.079 8.507 0.572 17895 4262 1 16 . 1 1 53 53 LEU N N 53 115.427 115.427 117.727 -2.300 17895 4263 1 16 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.191 0.345 17895 4264 1 16 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.055 -1.011 17895 4265 1 16 . 1 1 53 53 LEU H H 53 8.417 8.417 8.139 0.278 17895 4266 1 16 . 1 1 54 54 ASN N N 54 122.105 122.105 117.033 5.072 17895 4267 1 16 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.547 -0.098 17895 4268 1 16 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.878 0.813 17895 4269 1 16 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.255 1.376 17895 4270 1 16 . 1 1 54 54 ASN H H 54 8.090 8.090 8.120 -0.030 17895 4271 1 16 . 1 1 55 55 THR N N 55 114.929 114.929 116.022 -1.093 17895 4272 1 16 . 1 1 55 55 THR HA H 55 4.933 4.933 4.725 0.208 17895 4273 1 16 . 1 1 55 55 THR CA C 55 60.962 60.962 60.922 0.040 17895 4274 1 16 . 1 1 55 55 THR CB C 55 75.743 75.743 71.959 3.784 17895 4275 1 16 . 1 1 55 55 THR H H 55 8.255 8.255 8.342 -0.087 17895 4276 1 16 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.453 0.143 17895 4277 1 16 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.492 1.112 17895 4278 1 16 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.312 0.607 17895 4279 1 16 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.081 -0.011 17895 4280 1 16 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.173 2.449 17895 4281 1 16 . 1 1 58 58 GLU N N 58 123.143 123.143 117.808 5.335 17895 4282 1 16 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.378 0.496 17895 4283 1 16 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.093 0.406 17895 4284 1 16 . 1 1 58 58 GLU H H 58 9.365 9.365 8.585 0.780 17895 4285 1 16 . 1 1 59 59 ASP N N 59 117.681 117.681 117.265 0.416 17895 4286 1 16 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.421 0.202 17895 4287 1 16 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.243 0.219 17895 4288 1 16 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.786 0.105 17895 4289 1 16 . 1 1 59 59 ASP H H 59 8.014 8.014 7.798 0.216 17895 4290 1 16 . 1 1 60 60 ILE N N 60 119.519 119.519 113.485 6.034 17895 4291 1 16 . 1 1 60 60 ILE H H 60 8.209 8.209 7.335 0.874 17895 4292 1 16 . 1 1 61 61 PHE N N 61 115.960 115.960 116.479 -0.519 17895 4293 1 16 . 1 1 61 61 PHE H H 61 8.532 8.532 8.409 0.123 17895 4294 1 16 . 1 1 62 62 GLN N N 62 116.724 116.724 121.364 -4.640 17895 4295 1 16 . 1 1 62 62 GLN H H 62 8.752 8.752 8.572 0.180 17895 4296 1 16 . 1 1 63 63 TRP N N 63 125.611 125.611 123.319 2.292 17895 4297 1 16 . 1 1 63 63 TRP H H 63 9.476 9.476 8.462 1.014 17895 4298 1 16 . 1 1 64 64 GLN N N 64 127.087 127.087 119.570 7.517 17895 4299 1 16 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.022 0.157 17895 4300 1 16 . 1 1 64 64 GLN CA C 64 52.402 52.402 59.215 -6.813 17895 4301 1 16 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.936 4.636 17895 4302 1 16 . 1 1 64 64 GLN H H 64 7.989 7.989 7.890 0.099 17895 4303 1 16 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.422 0.260 17895 4304 1 16 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.348 -0.834 17895 4305 1 17 . 1 1 2 2 ILE N N 2 123.202 123.202 120.459 2.743 17895 4306 1 17 . 1 1 2 2 ILE CB C 2 40.032 40.032 36.138 3.894 17895 4307 1 17 . 1 1 2 2 ILE H H 2 9.148 9.148 8.203 0.945 17895 4308 1 17 . 1 1 3 3 ILE N N 3 108.681 108.681 116.168 -7.487 17895 4309 1 17 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.725 0.705 17895 4310 1 17 . 1 1 3 3 ILE CA C 3 60.911 60.911 63.283 -2.372 17895 4311 1 17 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.518 3.037 17895 4312 1 17 . 1 1 3 3 ILE H H 3 9.416 9.416 8.037 1.379 17895 4313 1 17 . 1 1 4 4 ASN N N 4 123.966 123.966 114.982 8.984 17895 4314 1 17 . 1 1 4 4 ASN H H 4 9.081 9.081 8.525 0.556 17895 4315 1 17 . 1 1 5 5 ASN N N 5 120.745 120.745 118.977 1.768 17895 4316 1 17 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.230 1.199 17895 4317 1 17 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.482 -1.126 17895 4318 1 17 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.069 3.644 17895 4319 1 17 . 1 1 5 5 ASN H H 5 9.369 9.369 8.469 0.900 17895 4320 1 17 . 1 1 6 6 LEU N N 6 120.594 120.594 120.609 -0.015 17895 4321 1 17 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.915 -0.149 17895 4322 1 17 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.209 2.390 17895 4323 1 17 . 1 1 6 6 LEU H H 6 8.538 8.538 8.036 0.502 17895 4324 1 17 . 1 1 7 7 LYS N N 7 118.177 118.177 118.866 -0.689 17895 4325 1 17 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.912 -0.004 17895 4326 1 17 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.099 2.207 17895 4327 1 17 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.777 2.426 17895 4328 1 17 . 1 1 7 7 LYS H H 7 8.940 8.940 7.785 1.155 17895 4329 1 17 . 1 1 8 8 LEU N N 8 116.356 116.356 120.189 -3.833 17895 4330 1 17 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.074 0.098 17895 4331 1 17 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.283 1.007 17895 4332 1 17 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.741 2.187 17895 4333 1 17 . 1 1 8 8 LEU H H 8 7.687 7.687 7.557 0.130 17895 4334 1 17 . 1 1 9 9 ILE N N 9 119.134 119.134 117.304 1.830 17895 4335 1 17 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.581 0.232 17895 4336 1 17 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.927 -1.069 17895 4337 1 17 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.676 0.154 17895 4338 1 17 . 1 1 9 9 ILE H H 9 8.225 8.225 7.086 1.139 17895 4339 1 17 . 1 1 10 10 ARG N N 10 120.162 120.162 120.746 -0.584 17895 4340 1 17 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.936 -0.057 17895 4341 1 17 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.556 2.111 17895 4342 1 17 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.403 -1.004 17895 4343 1 17 . 1 1 10 10 ARG H H 10 9.259 9.259 8.853 0.406 17895 4344 1 17 . 1 1 11 11 GLU N N 11 115.878 115.878 119.469 -3.591 17895 4345 1 17 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.136 0.036 17895 4346 1 17 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.959 1.327 17895 4347 1 17 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.369 1.445 17895 4348 1 17 . 1 1 11 11 GLU H H 11 8.703 8.703 9.023 -0.320 17895 4349 1 17 . 1 1 12 12 LYS N N 12 122.935 122.935 120.645 2.290 17895 4350 1 17 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.011 0.195 17895 4351 1 17 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.147 1.128 17895 4352 1 17 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.482 0.416 17895 4353 1 17 . 1 1 12 12 LYS H H 12 8.256 8.256 7.830 0.426 17895 4354 1 17 . 1 1 13 13 LYS N N 13 116.350 116.350 115.744 0.606 17895 4355 1 17 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.316 -0.020 17895 4356 1 17 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.639 0.292 17895 4357 1 17 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.846 -0.397 17895 4358 1 17 . 1 1 13 13 LYS H H 13 7.813 7.813 7.573 0.240 17895 4359 1 17 . 1 1 14 14 LYS N N 14 115.317 115.317 115.510 -0.193 17895 4360 1 17 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.993 -0.030 17895 4361 1 17 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.640 1.148 17895 4362 1 17 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.774 -0.726 17895 4363 1 17 . 1 1 14 14 LYS H H 14 8.068 8.068 7.538 0.530 17895 4364 1 17 . 1 1 15 15 ILE N N 15 118.373 118.373 119.774 -1.401 17895 4365 1 17 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.111 0.501 17895 4366 1 17 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.395 0.663 17895 4367 1 17 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.974 3.822 17895 4368 1 17 . 1 1 15 15 ILE H H 15 7.573 7.573 8.513 -0.940 17895 4369 1 17 . 1 1 16 16 SER N N 16 125.057 125.057 122.456 2.601 17895 4370 1 17 . 1 1 16 16 SER HA H 16 4.566 4.566 4.599 -0.033 17895 4371 1 17 . 1 1 16 16 SER CA C 16 57.781 57.781 58.381 -0.600 17895 4372 1 17 . 1 1 16 16 SER H H 16 9.457 9.457 9.774 -0.317 17895 4373 1 17 . 1 1 17 17 GLN N N 17 120.197 120.197 123.301 -3.104 17895 4374 1 17 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.008 -0.230 17895 4375 1 17 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.525 3.137 17895 4376 1 17 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.243 1.418 17895 4377 1 17 . 1 1 17 17 GLN H H 17 9.544 9.544 8.997 0.547 17895 4378 1 17 . 1 1 18 18 SER N N 18 112.998 112.998 114.816 -1.818 17895 4379 1 17 . 1 1 18 18 SER H H 18 8.985 8.985 8.519 0.466 17895 4380 1 17 . 1 1 19 19 GLU N N 19 124.112 124.112 121.656 2.456 17895 4381 1 17 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.065 0.041 17895 4382 1 17 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.179 0.334 17895 4383 1 17 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.242 1.196 17895 4384 1 17 . 1 1 19 19 GLU H H 19 8.349 8.349 8.063 0.286 17895 4385 1 17 . 1 1 20 20 LEU N N 20 119.955 119.955 117.402 2.553 17895 4386 1 17 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.072 0.054 17895 4387 1 17 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.234 1.158 17895 4388 1 17 . 1 1 20 20 LEU H H 20 8.321 8.321 7.462 0.859 17895 4389 1 17 . 1 1 21 21 ALA N N 21 119.830 119.830 122.663 -2.833 17895 4390 1 17 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.880 -0.171 17895 4391 1 17 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.031 1.241 17895 4392 1 17 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.009 -0.274 17895 4393 1 17 . 1 1 21 21 ALA H H 21 8.595 8.595 7.732 0.863 17895 4394 1 17 . 1 1 22 22 ALA N N 22 117.258 117.258 120.493 -3.235 17895 4395 1 17 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.031 0.232 17895 4396 1 17 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.745 0.764 17895 4397 1 17 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.444 0.086 17895 4398 1 17 . 1 1 22 22 ALA H H 22 7.818 7.818 7.705 0.113 17895 4399 1 17 . 1 1 23 23 LEU N N 23 118.586 118.586 117.842 0.744 17895 4400 1 17 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.901 0.059 17895 4401 1 17 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.831 1.169 17895 4402 1 17 . 1 1 23 23 LEU H H 23 7.537 7.537 7.159 0.378 17895 4403 1 17 . 1 1 24 24 LEU N N 24 114.488 114.488 114.928 -0.440 17895 4404 1 17 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.195 0.068 17895 4405 1 17 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.031 -0.337 17895 4406 1 17 . 1 1 24 24 LEU H H 24 7.448 7.448 7.830 -0.382 17895 4407 1 17 . 1 1 25 25 GLU N N 25 114.895 114.895 113.745 1.150 17895 4408 1 17 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.081 -0.116 17895 4409 1 17 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.198 0.850 17895 4410 1 17 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.232 0.661 17895 4411 1 17 . 1 1 25 25 GLU H H 25 8.028 8.028 7.847 0.181 17895 4412 1 17 . 1 1 26 26 VAL N N 26 109.697 109.697 111.820 -2.123 17895 4413 1 17 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.591 0.282 17895 4414 1 17 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.405 -0.224 17895 4415 1 17 . 1 1 26 26 VAL H H 26 7.990 7.990 7.625 0.365 17895 4416 1 17 . 1 1 27 27 SER N N 27 114.369 114.369 115.836 -1.467 17895 4417 1 17 . 1 1 27 27 SER HA H 27 4.643 4.643 4.476 0.167 17895 4418 1 17 . 1 1 27 27 SER CA C 27 57.345 57.345 58.222 -0.877 17895 4419 1 17 . 1 1 27 27 SER CB C 27 63.110 63.110 64.165 -1.055 17895 4420 1 17 . 1 1 27 27 SER H H 27 8.633 8.633 8.473 0.160 17895 4421 1 17 . 1 1 28 28 ARG N N 28 115.276 115.276 125.383 -10.107 17895 4422 1 17 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.939 -0.211 17895 4423 1 17 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.047 0.711 17895 4424 1 17 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.990 -0.040 17895 4425 1 17 . 1 1 28 28 ARG H H 28 8.236 8.236 8.990 -0.754 17895 4426 1 17 . 1 1 29 29 GLN N N 29 117.309 117.309 117.073 0.236 17895 4427 1 17 . 1 1 29 29 GLN HA H 29 4.153 4.153 3.984 0.169 17895 4428 1 17 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.371 0.642 17895 4429 1 17 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.832 0.636 17895 4430 1 17 . 1 1 29 29 GLN H H 29 8.835 8.835 8.927 -0.092 17895 4431 1 17 . 1 1 30 30 THR N N 30 119.984 119.984 112.846 7.138 17895 4432 1 17 . 1 1 30 30 THR HA H 30 4.418 4.418 4.070 0.348 17895 4433 1 17 . 1 1 30 30 THR CA C 30 68.600 68.600 65.281 3.319 17895 4434 1 17 . 1 1 30 30 THR CB C 30 67.556 67.556 68.635 -1.079 17895 4435 1 17 . 1 1 30 30 THR H H 30 8.136 8.136 7.842 0.294 17895 4436 1 17 . 1 1 31 31 ILE N N 31 118.828 118.828 122.559 -3.731 17895 4437 1 17 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.767 0.018 17895 4438 1 17 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.666 -1.736 17895 4439 1 17 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.981 -1.004 17895 4440 1 17 . 1 1 31 31 ILE H H 31 7.162 7.162 8.183 -1.021 17895 4441 1 17 . 1 1 32 32 ASN N N 32 118.028 118.028 118.178 -0.150 17895 4442 1 17 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.596 -0.266 17895 4443 1 17 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.760 2.435 17895 4444 1 17 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.462 2.683 17895 4445 1 17 . 1 1 32 32 ASN H H 32 8.668 8.668 9.081 -0.413 17895 4446 1 17 . 1 1 33 33 GLY N N 33 124.941 124.941 109.745 15.196 17895 4447 1 17 . 1 1 33 33 GLY H H 33 8.656 8.656 8.097 0.559 17895 4448 1 17 . 1 1 34 34 ILE N N 34 122.198 122.198 123.046 -0.848 17895 4449 1 17 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.602 0.682 17895 4450 1 17 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.081 0.459 17895 4451 1 17 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.983 1.203 17895 4452 1 17 . 1 1 34 34 ILE H H 34 8.205 8.205 8.192 0.013 17895 4453 1 17 . 1 1 35 35 GLU N N 35 120.651 120.651 117.978 2.673 17895 4454 1 17 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.158 0.055 17895 4455 1 17 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.681 1.911 17895 4456 1 17 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.022 0.730 17895 4457 1 17 . 1 1 35 35 GLU H H 35 8.592 8.592 7.704 0.888 17895 4458 1 17 . 1 1 36 36 LYS N N 36 115.995 115.995 119.131 -3.136 17895 4459 1 17 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.068 0.434 17895 4460 1 17 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.600 -2.316 17895 4461 1 17 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.624 -0.785 17895 4462 1 17 . 1 1 36 36 LYS H H 36 8.111 8.111 7.341 0.770 17895 4463 1 17 . 1 1 37 37 ASN N N 37 114.563 114.563 114.419 0.144 17895 4464 1 17 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.616 0.132 17895 4465 1 17 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.035 2.653 17895 4466 1 17 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.711 -0.907 17895 4467 1 17 . 1 1 37 37 ASN H H 37 8.223 8.223 8.363 -0.140 17895 4468 1 17 . 1 1 38 38 LYS N N 38 115.051 115.051 122.036 -6.985 17895 4469 1 17 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.248 0.173 17895 4470 1 17 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.270 2.726 17895 4471 1 17 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.350 -1.214 17895 4472 1 17 . 1 1 38 38 LYS H H 38 8.734 8.734 7.998 0.736 17895 4473 1 17 . 1 1 39 39 TYR N N 39 116.976 116.976 119.643 -2.667 17895 4474 1 17 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.247 0.362 17895 4475 1 17 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.831 -1.454 17895 4476 1 17 . 1 1 39 39 TYR H H 39 7.089 7.089 7.464 -0.375 17895 4477 1 17 . 1 1 40 40 ASN N N 40 123.607 123.607 122.593 1.014 17895 4478 1 17 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.397 0.979 17895 4479 1 17 . 1 1 40 40 ASN H H 40 8.862 8.862 8.300 0.562 17895 4480 1 17 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.426 -0.637 17895 4481 1 17 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.481 0.989 17895 4482 1 17 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.366 0.095 17895 4483 1 17 . 1 1 42 42 SER N N 42 125.650 125.650 115.510 10.140 17895 4484 1 17 . 1 1 42 42 SER HA H 42 4.556 4.556 4.368 0.188 17895 4485 1 17 . 1 1 42 42 SER CA C 42 58.198 58.198 58.897 -0.699 17895 4486 1 17 . 1 1 42 42 SER H H 42 8.056 8.056 8.276 -0.220 17895 4487 1 17 . 1 1 43 43 LEU N N 43 120.689 120.689 124.527 -3.838 17895 4488 1 17 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.019 -0.106 17895 4489 1 17 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.581 0.664 17895 4490 1 17 . 1 1 43 43 LEU H H 43 9.296 9.296 8.840 0.456 17895 4491 1 17 . 1 1 44 44 GLN N N 44 115.960 115.960 119.959 -3.999 17895 4492 1 17 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.149 -0.452 17895 4493 1 17 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.816 2.056 17895 4494 1 17 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.126 1.024 17895 4495 1 17 . 1 1 44 44 GLN H H 44 8.915 8.915 8.550 0.365 17895 4496 1 17 . 1 1 45 45 LEU N N 45 119.431 119.431 119.761 -0.330 17895 4497 1 17 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.110 -0.218 17895 4498 1 17 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.592 -2.068 17895 4499 1 17 . 1 1 45 45 LEU H H 45 8.093 8.093 7.932 0.161 17895 4500 1 17 . 1 1 46 46 ALA N N 46 120.497 120.497 122.652 -2.155 17895 4501 1 17 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.239 -0.205 17895 4502 1 17 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.528 0.973 17895 4503 1 17 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.434 2.219 17895 4504 1 17 . 1 1 46 46 ALA H H 46 8.512 8.512 8.744 -0.232 17895 4505 1 17 . 1 1 47 47 LEU N N 47 116.461 116.461 119.214 -2.753 17895 4506 1 17 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.930 0.284 17895 4507 1 17 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.239 0.162 17895 4508 1 17 . 1 1 47 47 LEU H H 47 8.675 8.675 8.992 -0.317 17895 4509 1 17 . 1 1 48 48 LYS N N 48 120.970 120.970 119.844 1.126 17895 4510 1 17 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.147 -0.567 17895 4511 1 17 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.017 0.710 17895 4512 1 17 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.390 0.778 17895 4513 1 17 . 1 1 48 48 LYS H H 48 8.053 8.053 8.259 -0.206 17895 4514 1 17 . 1 1 49 49 ILE N N 49 120.407 120.407 120.267 0.140 17895 4515 1 17 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.799 -0.201 17895 4516 1 17 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.892 3.210 17895 4517 1 17 . 1 1 49 49 ILE H H 49 8.783 8.783 8.353 0.430 17895 4518 1 17 . 1 1 50 50 ALA N N 50 120.445 120.445 122.758 -2.313 17895 4519 1 17 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.080 -0.010 17895 4520 1 17 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.137 1.263 17895 4521 1 17 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.424 0.481 17895 4522 1 17 . 1 1 50 50 ALA H H 50 8.182 8.182 8.672 -0.490 17895 4523 1 17 . 1 1 51 51 TYR N N 51 117.070 117.070 120.344 -3.274 17895 4524 1 17 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.088 0.265 17895 4525 1 17 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.327 0.026 17895 4526 1 17 . 1 1 51 51 TYR H H 51 8.170 8.170 9.044 -0.874 17895 4527 1 17 . 1 1 52 52 TYR N N 52 118.548 118.548 118.164 0.384 17895 4528 1 17 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.076 0.228 17895 4529 1 17 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.203 2.605 17895 4530 1 17 . 1 1 52 52 TYR H H 52 9.079 9.079 8.037 1.042 17895 4531 1 17 . 1 1 53 53 LEU N N 53 115.427 115.427 118.330 -2.903 17895 4532 1 17 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.000 0.536 17895 4533 1 17 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.469 -1.425 17895 4534 1 17 . 1 1 53 53 LEU H H 53 8.417 8.417 7.877 0.540 17895 4535 1 17 . 1 1 54 54 ASN N N 54 122.105 122.105 108.278 13.827 17895 4536 1 17 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.385 0.064 17895 4537 1 17 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.217 1.474 17895 4538 1 17 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.167 1.464 17895 4539 1 17 . 1 1 54 54 ASN H H 54 8.090 8.090 8.568 -0.478 17895 4540 1 17 . 1 1 55 55 THR N N 55 114.929 114.929 117.979 -3.050 17895 4541 1 17 . 1 1 55 55 THR HA H 55 4.933 4.933 4.774 0.159 17895 4542 1 17 . 1 1 55 55 THR CA C 55 60.962 60.962 60.098 0.864 17895 4543 1 17 . 1 1 55 55 THR CB C 55 75.743 75.743 69.575 6.168 17895 4544 1 17 . 1 1 55 55 THR H H 55 8.255 8.255 8.299 -0.044 17895 4545 1 17 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.532 0.064 17895 4546 1 17 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.140 1.464 17895 4547 1 17 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.601 0.318 17895 4548 1 17 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.152 -0.082 17895 4549 1 17 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.078 2.544 17895 4550 1 17 . 1 1 58 58 GLU N N 58 123.143 123.143 117.996 5.147 17895 4551 1 17 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.196 0.678 17895 4552 1 17 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.662 -0.163 17895 4553 1 17 . 1 1 58 58 GLU H H 58 9.365 9.365 8.670 0.695 17895 4554 1 17 . 1 1 59 59 ASP N N 59 117.681 117.681 118.566 -0.885 17895 4555 1 17 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.452 0.171 17895 4556 1 17 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.510 -0.048 17895 4557 1 17 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.778 0.113 17895 4558 1 17 . 1 1 59 59 ASP H H 59 8.014 8.014 7.626 0.388 17895 4559 1 17 . 1 1 60 60 ILE N N 60 119.519 119.519 114.350 5.169 17895 4560 1 17 . 1 1 60 60 ILE H H 60 8.209 8.209 7.376 0.833 17895 4561 1 17 . 1 1 61 61 PHE N N 61 115.960 115.960 119.737 -3.777 17895 4562 1 17 . 1 1 61 61 PHE H H 61 8.532 8.532 8.365 0.167 17895 4563 1 17 . 1 1 62 62 GLN N N 62 116.724 116.724 124.053 -7.329 17895 4564 1 17 . 1 1 62 62 GLN H H 62 8.752 8.752 8.876 -0.124 17895 4565 1 17 . 1 1 63 63 TRP N N 63 125.611 125.611 120.301 5.310 17895 4566 1 17 . 1 1 63 63 TRP H H 63 9.476 9.476 7.734 1.742 17895 4567 1 17 . 1 1 64 64 GLN N N 64 127.087 127.087 118.831 8.256 17895 4568 1 17 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.377 -0.198 17895 4569 1 17 . 1 1 64 64 GLN CA C 64 52.402 52.402 55.880 -3.478 17895 4570 1 17 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.092 3.481 17895 4571 1 17 . 1 1 64 64 GLN H H 64 7.989 7.989 8.550 -0.561 17895 4572 1 17 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.303 0.379 17895 4573 1 17 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.544 -2.030 17895 4574 1 18 . 1 1 2 2 ILE N N 2 123.202 123.202 120.015 3.187 17895 4575 1 18 . 1 1 2 2 ILE CB C 2 40.032 40.032 37.543 2.489 17895 4576 1 18 . 1 1 2 2 ILE H H 2 9.148 9.148 8.425 0.723 17895 4577 1 18 . 1 1 3 3 ILE N N 3 108.681 108.681 115.371 -6.690 17895 4578 1 18 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.616 0.814 17895 4579 1 18 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.665 -1.754 17895 4580 1 18 . 1 1 3 3 ILE CB C 3 39.555 39.555 35.956 3.599 17895 4581 1 18 . 1 1 3 3 ILE H H 3 9.416 9.416 7.961 1.455 17895 4582 1 18 . 1 1 4 4 ASN N N 4 123.966 123.966 115.271 8.695 17895 4583 1 18 . 1 1 4 4 ASN H H 4 9.081 9.081 8.846 0.235 17895 4584 1 18 . 1 1 5 5 ASN N N 5 120.745 120.745 114.548 6.197 17895 4585 1 18 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.446 0.983 17895 4586 1 18 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.992 -0.636 17895 4587 1 18 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.101 3.612 17895 4588 1 18 . 1 1 5 5 ASN H H 5 9.369 9.369 8.372 0.997 17895 4589 1 18 . 1 1 6 6 LEU N N 6 120.594 120.594 122.638 -2.044 17895 4590 1 18 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.801 -0.035 17895 4591 1 18 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.936 2.663 17895 4592 1 18 . 1 1 6 6 LEU H H 6 8.538 8.538 7.696 0.842 17895 4593 1 18 . 1 1 7 7 LYS N N 7 118.177 118.177 118.632 -0.455 17895 4594 1 18 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.021 -0.113 17895 4595 1 18 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.315 1.991 17895 4596 1 18 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.090 2.113 17895 4597 1 18 . 1 1 7 7 LYS H H 7 8.940 8.940 7.521 1.419 17895 4598 1 18 . 1 1 8 8 LEU N N 8 116.356 116.356 119.765 -3.409 17895 4599 1 18 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.078 0.094 17895 4600 1 18 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.753 1.537 17895 4601 1 18 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.815 2.113 17895 4602 1 18 . 1 1 8 8 LEU H H 8 7.687 7.687 7.432 0.255 17895 4603 1 18 . 1 1 9 9 ILE N N 9 119.134 119.134 118.688 0.446 17895 4604 1 18 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.522 0.291 17895 4605 1 18 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.754 -1.896 17895 4606 1 18 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.690 0.140 17895 4607 1 18 . 1 1 9 9 ILE H H 9 8.225 8.225 7.399 0.826 17895 4608 1 18 . 1 1 10 10 ARG N N 10 120.162 120.162 120.514 -0.352 17895 4609 1 18 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.957 -0.078 17895 4610 1 18 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.648 2.020 17895 4611 1 18 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.152 -0.753 17895 4612 1 18 . 1 1 10 10 ARG H H 10 9.259 9.259 8.774 0.485 17895 4613 1 18 . 1 1 11 11 GLU N N 11 115.878 115.878 117.916 -2.038 17895 4614 1 18 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.201 -0.029 17895 4615 1 18 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.489 1.797 17895 4616 1 18 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.879 0.935 17895 4617 1 18 . 1 1 11 11 GLU H H 11 8.703 8.703 8.923 -0.220 17895 4618 1 18 . 1 1 12 12 LYS N N 12 122.935 122.935 122.175 0.760 17895 4619 1 18 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.010 0.196 17895 4620 1 18 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.205 1.070 17895 4621 1 18 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.506 0.392 17895 4622 1 18 . 1 1 12 12 LYS H H 12 8.256 8.256 7.986 0.270 17895 4623 1 18 . 1 1 13 13 LYS N N 13 116.350 116.350 114.690 1.660 17895 4624 1 18 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.354 -0.058 17895 4625 1 18 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.637 0.294 17895 4626 1 18 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.553 -0.104 17895 4627 1 18 . 1 1 13 13 LYS H H 13 7.813 7.813 7.510 0.303 17895 4628 1 18 . 1 1 14 14 LYS N N 14 115.317 115.317 116.867 -1.550 17895 4629 1 18 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.983 -0.020 17895 4630 1 18 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.697 1.091 17895 4631 1 18 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.787 -0.739 17895 4632 1 18 . 1 1 14 14 LYS H H 14 8.068 8.068 7.731 0.337 17895 4633 1 18 . 1 1 15 15 ILE N N 15 118.373 118.373 121.465 -3.092 17895 4634 1 18 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.445 0.167 17895 4635 1 18 . 1 1 15 15 ILE CA C 15 60.058 60.058 57.973 2.085 17895 4636 1 18 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.313 3.483 17895 4637 1 18 . 1 1 15 15 ILE H H 15 7.573 7.573 8.620 -1.047 17895 4638 1 18 . 1 1 16 16 SER N N 16 125.057 125.057 124.297 0.760 17895 4639 1 18 . 1 1 16 16 SER HA H 16 4.566 4.566 4.616 -0.050 17895 4640 1 18 . 1 1 16 16 SER CA C 16 57.781 57.781 58.388 -0.607 17895 4641 1 18 . 1 1 16 16 SER H H 16 9.457 9.457 9.831 -0.374 17895 4642 1 18 . 1 1 17 17 GLN N N 17 120.197 120.197 124.706 -4.509 17895 4643 1 18 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.066 -0.288 17895 4644 1 18 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.681 2.981 17895 4645 1 18 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.165 1.496 17895 4646 1 18 . 1 1 17 17 GLN H H 17 9.544 9.544 9.013 0.531 17895 4647 1 18 . 1 1 18 18 SER N N 18 112.998 112.998 115.075 -2.077 17895 4648 1 18 . 1 1 18 18 SER H H 18 8.985 8.985 8.761 0.224 17895 4649 1 18 . 1 1 19 19 GLU N N 19 124.112 124.112 121.695 2.417 17895 4650 1 18 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.133 -0.027 17895 4651 1 18 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.784 0.729 17895 4652 1 18 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.000 1.439 17895 4653 1 18 . 1 1 19 19 GLU H H 19 8.349 8.349 8.358 -0.009 17895 4654 1 18 . 1 1 20 20 LEU N N 20 119.955 119.955 122.087 -2.132 17895 4655 1 18 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.958 0.168 17895 4656 1 18 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.971 0.421 17895 4657 1 18 . 1 1 20 20 LEU H H 20 8.321 8.321 8.323 -0.002 17895 4658 1 18 . 1 1 21 21 ALA N N 21 119.830 119.830 120.892 -1.062 17895 4659 1 18 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.862 -0.153 17895 4660 1 18 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.015 1.257 17895 4661 1 18 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.945 -0.210 17895 4662 1 18 . 1 1 21 21 ALA H H 21 8.595 8.595 8.719 -0.124 17895 4663 1 18 . 1 1 22 22 ALA N N 22 117.258 117.258 121.630 -4.372 17895 4664 1 18 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.025 0.238 17895 4665 1 18 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.675 0.834 17895 4666 1 18 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.219 0.311 17895 4667 1 18 . 1 1 22 22 ALA H H 22 7.818 7.818 7.702 0.116 17895 4668 1 18 . 1 1 23 23 LEU N N 23 118.586 118.586 117.989 0.597 17895 4669 1 18 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.605 0.355 17895 4670 1 18 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.910 1.090 17895 4671 1 18 . 1 1 23 23 LEU H H 23 7.537 7.537 7.603 -0.066 17895 4672 1 18 . 1 1 24 24 LEU N N 24 114.488 114.488 114.334 0.154 17895 4673 1 18 . 1 1 24 24 LEU HA H 24 4.263 4.263 3.978 0.285 17895 4674 1 18 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.026 -0.332 17895 4675 1 18 . 1 1 24 24 LEU H H 24 7.448 7.448 7.949 -0.500 17895 4676 1 18 . 1 1 25 25 GLU N N 25 114.895 114.895 113.735 1.160 17895 4677 1 18 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.990 -0.025 17895 4678 1 18 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.183 0.865 17895 4679 1 18 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.514 0.379 17895 4680 1 18 . 1 1 25 25 GLU H H 25 8.028 8.028 8.072 -0.044 17895 4681 1 18 . 1 1 26 26 VAL N N 26 109.697 109.697 111.185 -1.488 17895 4682 1 18 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.453 0.420 17895 4683 1 18 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.311 -0.130 17895 4684 1 18 . 1 1 26 26 VAL H H 26 7.990 7.990 7.694 0.296 17895 4685 1 18 . 1 1 27 27 SER N N 27 114.369 114.369 116.092 -1.723 17895 4686 1 18 . 1 1 27 27 SER HA H 27 4.643 4.643 4.531 0.112 17895 4687 1 18 . 1 1 27 27 SER CA C 27 57.345 57.345 58.998 -1.653 17895 4688 1 18 . 1 1 27 27 SER CB C 27 63.110 63.110 63.938 -0.828 17895 4689 1 18 . 1 1 27 27 SER H H 27 8.633 8.633 8.524 0.109 17895 4690 1 18 . 1 1 28 28 ARG N N 28 115.276 115.276 127.238 -11.962 17895 4691 1 18 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.909 -0.181 17895 4692 1 18 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.258 0.500 17895 4693 1 18 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.030 -0.080 17895 4694 1 18 . 1 1 28 28 ARG H H 28 8.236 8.236 8.999 -0.763 17895 4695 1 18 . 1 1 29 29 GLN N N 29 117.309 117.309 115.215 2.094 17895 4696 1 18 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.050 0.103 17895 4697 1 18 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.849 1.164 17895 4698 1 18 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.795 0.673 17895 4699 1 18 . 1 1 29 29 GLN H H 29 8.835 8.835 8.843 -0.008 17895 4700 1 18 . 1 1 30 30 THR N N 30 119.984 119.984 114.761 5.223 17895 4701 1 18 . 1 1 30 30 THR HA H 30 4.418 4.418 4.090 0.328 17895 4702 1 18 . 1 1 30 30 THR CA C 30 68.600 68.600 65.233 3.367 17895 4703 1 18 . 1 1 30 30 THR CB C 30 67.556 67.556 68.598 -1.042 17895 4704 1 18 . 1 1 30 30 THR H H 30 8.136 8.136 7.443 0.693 17895 4705 1 18 . 1 1 31 31 ILE N N 31 118.828 118.828 122.565 -3.737 17895 4706 1 18 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.734 0.051 17895 4707 1 18 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.417 -1.488 17895 4708 1 18 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.682 -0.705 17895 4709 1 18 . 1 1 31 31 ILE H H 31 7.162 7.162 7.736 -0.574 17895 4710 1 18 . 1 1 32 32 ASN N N 32 118.028 118.028 118.156 -0.128 17895 4711 1 18 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.623 -0.293 17895 4712 1 18 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.917 2.278 17895 4713 1 18 . 1 1 32 32 ASN CB C 32 40.145 40.145 38.095 2.050 17895 4714 1 18 . 1 1 32 32 ASN H H 32 8.668 8.668 8.767 -0.099 17895 4715 1 18 . 1 1 33 33 GLY N N 33 124.941 124.941 108.457 16.484 17895 4716 1 18 . 1 1 33 33 GLY H H 33 8.656 8.656 7.552 1.104 17895 4717 1 18 . 1 1 34 34 ILE N N 34 122.198 122.198 122.619 -0.421 17895 4718 1 18 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.819 0.465 17895 4719 1 18 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.387 1.153 17895 4720 1 18 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.027 1.159 17895 4721 1 18 . 1 1 34 34 ILE H H 34 8.205 8.205 7.901 0.304 17895 4722 1 18 . 1 1 35 35 GLU N N 35 120.651 120.651 117.813 2.838 17895 4723 1 18 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.222 -0.009 17895 4724 1 18 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.735 1.857 17895 4725 1 18 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.583 0.169 17895 4726 1 18 . 1 1 35 35 GLU H H 35 8.592 8.592 7.890 0.702 17895 4727 1 18 . 1 1 36 36 LYS N N 36 115.995 115.995 118.672 -2.677 17895 4728 1 18 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.015 0.487 17895 4729 1 18 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.999 -2.715 17895 4730 1 18 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.858 -0.019 17895 4731 1 18 . 1 1 36 36 LYS H H 36 8.111 8.111 7.826 0.285 17895 4732 1 18 . 1 1 37 37 ASN N N 37 114.563 114.563 109.845 4.718 17895 4733 1 18 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.628 0.120 17895 4734 1 18 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.569 2.119 17895 4735 1 18 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.739 -1.935 17895 4736 1 18 . 1 1 37 37 ASN H H 37 8.223 8.223 8.292 -0.069 17895 4737 1 18 . 1 1 38 38 LYS N N 38 115.051 115.051 122.535 -7.484 17895 4738 1 18 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.791 0.630 17895 4739 1 18 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.778 0.218 17895 4740 1 18 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.776 1.359 17895 4741 1 18 . 1 1 38 38 LYS H H 38 8.734 8.734 8.160 0.574 17895 4742 1 18 . 1 1 39 39 TYR N N 39 116.976 116.976 121.037 -4.061 17895 4743 1 18 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.265 0.344 17895 4744 1 18 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.708 -1.331 17895 4745 1 18 . 1 1 39 39 TYR H H 39 7.089 7.089 7.577 -0.488 17895 4746 1 18 . 1 1 40 40 ASN N N 40 123.607 123.607 118.578 5.029 17895 4747 1 18 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.493 0.883 17895 4748 1 18 . 1 1 40 40 ASN H H 40 8.862 8.862 8.408 0.454 17895 4749 1 18 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.418 -0.629 17895 4750 1 18 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.323 1.147 17895 4751 1 18 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.435 0.026 17895 4752 1 18 . 1 1 42 42 SER N N 42 125.650 125.650 114.546 11.104 17895 4753 1 18 . 1 1 42 42 SER HA H 42 4.556 4.556 4.166 0.390 17895 4754 1 18 . 1 1 42 42 SER CA C 42 58.198 58.198 57.855 0.344 17895 4755 1 18 . 1 1 42 42 SER H H 42 8.056 8.056 8.086 -0.030 17895 4756 1 18 . 1 1 43 43 LEU N N 43 120.689 120.689 124.547 -3.858 17895 4757 1 18 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.010 -0.097 17895 4758 1 18 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.386 0.858 17895 4759 1 18 . 1 1 43 43 LEU H H 43 9.296 9.296 8.743 0.553 17895 4760 1 18 . 1 1 44 44 GLN N N 44 115.960 115.960 119.224 -3.264 17895 4761 1 18 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.124 -0.427 17895 4762 1 18 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.249 1.623 17895 4763 1 18 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.325 0.825 17895 4764 1 18 . 1 1 44 44 GLN H H 44 8.915 8.915 8.604 0.311 17895 4765 1 18 . 1 1 45 45 LEU N N 45 119.431 119.431 120.223 -0.792 17895 4766 1 18 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.078 -0.186 17895 4767 1 18 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.839 -2.315 17895 4768 1 18 . 1 1 45 45 LEU H H 45 8.093 8.093 8.044 0.049 17895 4769 1 18 . 1 1 46 46 ALA N N 46 120.497 120.497 122.605 -2.108 17895 4770 1 18 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.007 0.027 17895 4771 1 18 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.428 1.073 17895 4772 1 18 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.192 2.461 17895 4773 1 18 . 1 1 46 46 ALA H H 46 8.512 8.512 8.756 -0.244 17895 4774 1 18 . 1 1 47 47 LEU N N 47 116.461 116.461 118.945 -2.484 17895 4775 1 18 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.897 0.317 17895 4776 1 18 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.199 0.202 17895 4777 1 18 . 1 1 47 47 LEU H H 47 8.675 8.675 8.895 -0.220 17895 4778 1 18 . 1 1 48 48 LYS N N 48 120.970 120.970 120.227 0.743 17895 4779 1 18 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.151 -0.571 17895 4780 1 18 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.097 0.630 17895 4781 1 18 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.486 0.682 17895 4782 1 18 . 1 1 48 48 LYS H H 48 8.053 8.053 8.437 -0.384 17895 4783 1 18 . 1 1 49 49 ILE N N 49 120.407 120.407 120.773 -0.366 17895 4784 1 18 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.782 -0.184 17895 4785 1 18 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.778 2.324 17895 4786 1 18 . 1 1 49 49 ILE H H 49 8.783 8.783 8.594 0.189 17895 4787 1 18 . 1 1 50 50 ALA N N 50 120.445 120.445 123.418 -2.973 17895 4788 1 18 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.066 0.004 17895 4789 1 18 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.398 1.002 17895 4790 1 18 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.147 0.758 17895 4791 1 18 . 1 1 50 50 ALA H H 50 8.182 8.182 8.767 -0.585 17895 4792 1 18 . 1 1 51 51 TYR N N 51 117.070 117.070 120.386 -3.316 17895 4793 1 18 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.041 0.312 17895 4794 1 18 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.934 0.419 17895 4795 1 18 . 1 1 51 51 TYR H H 51 8.170 8.170 8.459 -0.289 17895 4796 1 18 . 1 1 52 52 TYR N N 52 118.548 118.548 116.362 2.186 17895 4797 1 18 . 1 1 52 52 TYR HA H 52 4.304 4.304 3.997 0.307 17895 4798 1 18 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.509 2.299 17895 4799 1 18 . 1 1 52 52 TYR H H 52 9.079 9.079 8.422 0.657 17895 4800 1 18 . 1 1 53 53 LEU N N 53 115.427 115.427 117.625 -2.198 17895 4801 1 18 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.124 0.412 17895 4802 1 18 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.862 -0.818 17895 4803 1 18 . 1 1 53 53 LEU H H 53 8.417 8.417 8.646 -0.229 17895 4804 1 18 . 1 1 54 54 ASN N N 54 122.105 122.105 115.624 6.481 17895 4805 1 18 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.339 0.110 17895 4806 1 18 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.121 0.570 17895 4807 1 18 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.022 1.609 17895 4808 1 18 . 1 1 54 54 ASN H H 54 8.090 8.090 8.442 -0.352 17895 4809 1 18 . 1 1 55 55 THR N N 55 114.929 114.929 114.717 0.212 17895 4810 1 18 . 1 1 55 55 THR HA H 55 4.933 4.933 4.577 0.356 17895 4811 1 18 . 1 1 55 55 THR CA C 55 60.962 60.962 59.999 0.963 17895 4812 1 18 . 1 1 55 55 THR CB C 55 75.743 75.743 71.437 4.306 17895 4813 1 18 . 1 1 55 55 THR H H 55 8.255 8.255 8.218 0.037 17895 4814 1 18 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.473 0.123 17895 4815 1 18 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.549 1.055 17895 4816 1 18 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.347 0.572 17895 4817 1 18 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.160 -0.090 17895 4818 1 18 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.639 1.983 17895 4819 1 18 . 1 1 58 58 GLU N N 58 123.143 123.143 116.733 6.410 17895 4820 1 18 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.396 0.478 17895 4821 1 18 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.119 0.380 17895 4822 1 18 . 1 1 58 58 GLU H H 58 9.365 9.365 8.626 0.739 17895 4823 1 18 . 1 1 59 59 ASP N N 59 117.681 117.681 117.919 -0.238 17895 4824 1 18 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.526 0.097 17895 4825 1 18 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.512 -0.050 17895 4826 1 18 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.015 -0.124 17895 4827 1 18 . 1 1 59 59 ASP H H 59 8.014 8.014 7.525 0.489 17895 4828 1 18 . 1 1 60 60 ILE N N 60 119.519 119.519 112.731 6.788 17895 4829 1 18 . 1 1 60 60 ILE H H 60 8.209 8.209 7.436 0.773 17895 4830 1 18 . 1 1 61 61 PHE N N 61 115.960 115.960 118.154 -2.194 17895 4831 1 18 . 1 1 61 61 PHE H H 61 8.532 8.532 8.250 0.282 17895 4832 1 18 . 1 1 62 62 GLN N N 62 116.724 116.724 120.436 -3.712 17895 4833 1 18 . 1 1 62 62 GLN H H 62 8.752 8.752 8.516 0.236 17895 4834 1 18 . 1 1 63 63 TRP N N 63 125.611 125.611 123.133 2.478 17895 4835 1 18 . 1 1 63 63 TRP H H 63 9.476 9.476 9.070 0.406 17895 4836 1 18 . 1 1 64 64 GLN N N 64 127.087 127.087 113.800 13.287 17895 4837 1 18 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.213 -0.034 17895 4838 1 18 . 1 1 64 64 GLN CA C 64 52.402 52.402 57.080 -4.678 17895 4839 1 18 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.861 4.712 17895 4840 1 18 . 1 1 64 64 GLN H H 64 7.989 7.989 8.298 -0.309 17895 4841 1 18 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.486 0.196 17895 4842 1 18 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.075 -0.562 17895 4843 1 19 . 1 1 2 2 ILE N N 2 123.202 123.202 118.604 4.598 17895 4844 1 19 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.378 -0.346 17895 4845 1 19 . 1 1 2 2 ILE H H 2 9.148 9.148 8.699 0.449 17895 4846 1 19 . 1 1 3 3 ILE N N 3 108.681 108.681 115.294 -6.613 17895 4847 1 19 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.638 0.792 17895 4848 1 19 . 1 1 3 3 ILE CA C 3 60.911 60.911 63.728 -2.817 17895 4849 1 19 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.167 3.388 17895 4850 1 19 . 1 1 3 3 ILE H H 3 9.416 9.416 8.365 1.051 17895 4851 1 19 . 1 1 4 4 ASN N N 4 123.966 123.966 115.208 8.758 17895 4852 1 19 . 1 1 4 4 ASN H H 4 9.081 9.081 8.886 0.195 17895 4853 1 19 . 1 1 5 5 ASN N N 5 120.745 120.745 115.274 5.471 17895 4854 1 19 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.657 0.772 17895 4855 1 19 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.111 0.245 17895 4856 1 19 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.823 3.890 17895 4857 1 19 . 1 1 5 5 ASN H H 5 9.369 9.369 8.001 1.368 17895 4858 1 19 . 1 1 6 6 LEU N N 6 120.594 120.594 123.510 -2.916 17895 4859 1 19 . 1 1 6 6 LEU HA H 6 3.766 3.766 4.112 -0.346 17895 4860 1 19 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.309 3.290 17895 4861 1 19 . 1 1 6 6 LEU H H 6 8.538 8.538 7.783 0.755 17895 4862 1 19 . 1 1 7 7 LYS N N 7 118.177 118.177 118.151 0.026 17895 4863 1 19 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.032 -0.124 17895 4864 1 19 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.175 2.131 17895 4865 1 19 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.312 1.891 17895 4866 1 19 . 1 1 7 7 LYS H H 7 8.940 8.940 8.126 0.814 17895 4867 1 19 . 1 1 8 8 LEU N N 8 116.356 116.356 119.835 -3.479 17895 4868 1 19 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.002 0.170 17895 4869 1 19 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.953 0.337 17895 4870 1 19 . 1 1 8 8 LEU CB C 8 42.928 42.928 41.319 1.609 17895 4871 1 19 . 1 1 8 8 LEU H H 8 7.687 7.687 7.872 -0.185 17895 4872 1 19 . 1 1 9 9 ILE N N 9 119.134 119.134 117.158 1.976 17895 4873 1 19 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.601 0.212 17895 4874 1 19 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.251 -1.393 17895 4875 1 19 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.313 0.517 17895 4876 1 19 . 1 1 9 9 ILE H H 9 8.225 8.225 7.224 1.001 17895 4877 1 19 . 1 1 10 10 ARG N N 10 120.162 120.162 121.373 -1.211 17895 4878 1 19 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.894 -0.015 17895 4879 1 19 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.630 2.038 17895 4880 1 19 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.066 -0.667 17895 4881 1 19 . 1 1 10 10 ARG H H 10 9.259 9.259 7.855 1.404 17895 4882 1 19 . 1 1 11 11 GLU N N 11 115.878 115.878 118.928 -3.050 17895 4883 1 19 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.140 0.032 17895 4884 1 19 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.791 1.495 17895 4885 1 19 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.951 0.863 17895 4886 1 19 . 1 1 11 11 GLU H H 11 8.703 8.703 9.030 -0.327 17895 4887 1 19 . 1 1 12 12 LYS N N 12 122.935 122.935 122.558 0.377 17895 4888 1 19 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.083 0.123 17895 4889 1 19 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.840 1.435 17895 4890 1 19 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.691 0.207 17895 4891 1 19 . 1 1 12 12 LYS H H 12 8.256 8.256 7.990 0.266 17895 4892 1 19 . 1 1 13 13 LYS N N 13 116.350 116.350 116.122 0.228 17895 4893 1 19 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.459 -0.163 17895 4894 1 19 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.378 0.553 17895 4895 1 19 . 1 1 13 13 LYS CB C 13 32.449 32.449 31.849 0.600 17895 4896 1 19 . 1 1 13 13 LYS H H 13 7.813 7.813 7.802 0.011 17895 4897 1 19 . 1 1 14 14 LYS N N 14 115.317 115.317 114.627 0.690 17895 4898 1 19 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.944 0.019 17895 4899 1 19 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.867 0.921 17895 4900 1 19 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.487 -0.439 17895 4901 1 19 . 1 1 14 14 LYS H H 14 8.068 8.068 7.768 0.300 17895 4902 1 19 . 1 1 15 15 ILE N N 15 118.373 118.373 119.868 -1.495 17895 4903 1 19 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.230 0.382 17895 4904 1 19 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.623 1.435 17895 4905 1 19 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.667 4.129 17895 4906 1 19 . 1 1 15 15 ILE H H 15 7.573 7.573 8.543 -0.970 17895 4907 1 19 . 1 1 16 16 SER N N 16 125.057 125.057 121.752 3.305 17895 4908 1 19 . 1 1 16 16 SER HA H 16 4.566 4.566 4.507 0.059 17895 4909 1 19 . 1 1 16 16 SER CA C 16 57.781 57.781 58.188 -0.407 17895 4910 1 19 . 1 1 16 16 SER H H 16 9.457 9.457 8.599 0.858 17895 4911 1 19 . 1 1 17 17 GLN N N 17 120.197 120.197 125.113 -4.916 17895 4912 1 19 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.006 -0.228 17895 4913 1 19 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.727 2.935 17895 4914 1 19 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.254 1.407 17895 4915 1 19 . 1 1 17 17 GLN H H 17 9.544 9.544 9.079 0.465 17895 4916 1 19 . 1 1 18 18 SER N N 18 112.998 112.998 116.540 -3.542 17895 4917 1 19 . 1 1 18 18 SER H H 18 8.985 8.985 8.517 0.468 17895 4918 1 19 . 1 1 19 19 GLU N N 19 124.112 124.112 121.784 2.328 17895 4919 1 19 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.039 0.067 17895 4920 1 19 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.870 0.643 17895 4921 1 19 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.449 0.990 17895 4922 1 19 . 1 1 19 19 GLU H H 19 8.349 8.349 8.714 -0.365 17895 4923 1 19 . 1 1 20 20 LEU N N 20 119.955 119.955 122.243 -2.288 17895 4924 1 19 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.908 0.218 17895 4925 1 19 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.459 -0.067 17895 4926 1 19 . 1 1 20 20 LEU H H 20 8.321 8.321 8.305 0.016 17895 4927 1 19 . 1 1 21 21 ALA N N 21 119.830 119.830 120.687 -0.857 17895 4928 1 19 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.935 -0.226 17895 4929 1 19 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.066 1.206 17895 4930 1 19 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.067 -0.332 17895 4931 1 19 . 1 1 21 21 ALA H H 21 8.595 8.595 8.686 -0.091 17895 4932 1 19 . 1 1 22 22 ALA N N 22 117.258 117.258 121.414 -4.156 17895 4933 1 19 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.989 0.274 17895 4934 1 19 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.800 0.709 17895 4935 1 19 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.476 0.054 17895 4936 1 19 . 1 1 22 22 ALA H H 22 7.818 7.818 7.627 0.191 17895 4937 1 19 . 1 1 23 23 LEU N N 23 118.586 118.586 118.175 0.411 17895 4938 1 19 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.709 0.251 17895 4939 1 19 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.136 0.864 17895 4940 1 19 . 1 1 23 23 LEU H H 23 7.537 7.537 7.728 -0.191 17895 4941 1 19 . 1 1 24 24 LEU N N 24 114.488 114.488 114.348 0.140 17895 4942 1 19 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.318 -0.055 17895 4943 1 19 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.101 -0.407 17895 4944 1 19 . 1 1 24 24 LEU H H 24 7.448 7.448 7.800 -0.352 17895 4945 1 19 . 1 1 25 25 GLU N N 25 114.895 114.895 112.084 2.811 17895 4946 1 19 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.024 -0.059 17895 4947 1 19 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.180 0.868 17895 4948 1 19 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.984 -0.091 17895 4949 1 19 . 1 1 25 25 GLU H H 25 8.028 8.028 7.766 0.262 17895 4950 1 19 . 1 1 26 26 VAL N N 26 109.697 109.697 114.506 -4.809 17895 4951 1 19 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.477 0.396 17895 4952 1 19 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.389 -0.208 17895 4953 1 19 . 1 1 26 26 VAL H H 26 7.990 7.990 7.622 0.368 17895 4954 1 19 . 1 1 27 27 SER N N 27 114.369 114.369 116.054 -1.685 17895 4955 1 19 . 1 1 27 27 SER HA H 27 4.643 4.643 4.502 0.141 17895 4956 1 19 . 1 1 27 27 SER CA C 27 57.345 57.345 58.326 -0.981 17895 4957 1 19 . 1 1 27 27 SER CB C 27 63.110 63.110 64.516 -1.406 17895 4958 1 19 . 1 1 27 27 SER H H 27 8.633 8.633 8.513 0.120 17895 4959 1 19 . 1 1 28 28 ARG N N 28 115.276 115.276 126.286 -11.010 17895 4960 1 19 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.907 -0.179 17895 4961 1 19 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.364 0.394 17895 4962 1 19 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.103 -0.153 17895 4963 1 19 . 1 1 28 28 ARG H H 28 8.236 8.236 9.074 -0.838 17895 4964 1 19 . 1 1 29 29 GLN N N 29 117.309 117.309 116.827 0.482 17895 4965 1 19 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.134 0.019 17895 4966 1 19 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.036 0.977 17895 4967 1 19 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.220 1.248 17895 4968 1 19 . 1 1 29 29 GLN H H 29 8.835 8.835 8.830 0.005 17895 4969 1 19 . 1 1 30 30 THR N N 30 119.984 119.984 116.747 3.237 17895 4970 1 19 . 1 1 30 30 THR HA H 30 4.418 4.418 4.086 0.332 17895 4971 1 19 . 1 1 30 30 THR CA C 30 68.600 68.600 66.101 2.499 17895 4972 1 19 . 1 1 30 30 THR CB C 30 67.556 67.556 68.526 -0.970 17895 4973 1 19 . 1 1 30 30 THR H H 30 8.136 8.136 7.278 0.858 17895 4974 1 19 . 1 1 31 31 ILE N N 31 118.828 118.828 121.785 -2.957 17895 4975 1 19 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.775 0.010 17895 4976 1 19 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.822 -1.893 17895 4977 1 19 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.807 -0.830 17895 4978 1 19 . 1 1 31 31 ILE H H 31 7.162 7.162 8.017 -0.855 17895 4979 1 19 . 1 1 32 32 ASN N N 32 118.028 118.028 118.260 -0.232 17895 4980 1 19 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.582 -0.252 17895 4981 1 19 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.955 2.240 17895 4982 1 19 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.458 2.687 17895 4983 1 19 . 1 1 32 32 ASN H H 32 8.668 8.668 8.948 -0.280 17895 4984 1 19 . 1 1 33 33 GLY N N 33 124.941 124.941 109.352 15.589 17895 4985 1 19 . 1 1 33 33 GLY H H 33 8.656 8.656 7.855 0.801 17895 4986 1 19 . 1 1 34 34 ILE N N 34 122.198 122.198 123.165 -0.967 17895 4987 1 19 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.612 0.672 17895 4988 1 19 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.072 0.468 17895 4989 1 19 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.989 1.198 17895 4990 1 19 . 1 1 34 34 ILE H H 34 8.205 8.205 8.187 0.018 17895 4991 1 19 . 1 1 35 35 GLU N N 35 120.651 120.651 118.197 2.454 17895 4992 1 19 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.366 -0.153 17895 4993 1 19 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.178 2.414 17895 4994 1 19 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.401 0.352 17895 4995 1 19 . 1 1 35 35 GLU H H 35 8.592 8.592 7.919 0.673 17895 4996 1 19 . 1 1 36 36 LYS N N 36 115.995 115.995 119.213 -3.218 17895 4997 1 19 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.179 0.323 17895 4998 1 19 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.087 -0.803 17895 4999 1 19 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.309 -0.470 17895 5000 1 19 . 1 1 36 36 LYS H H 36 8.111 8.111 7.581 0.530 17895 5001 1 19 . 1 1 37 37 ASN N N 37 114.563 114.563 114.440 0.123 17895 5002 1 19 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.597 0.151 17895 5003 1 19 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.187 2.501 17895 5004 1 19 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.468 -0.664 17895 5005 1 19 . 1 1 37 37 ASN H H 37 8.223 8.223 8.530 -0.307 17895 5006 1 19 . 1 1 38 38 LYS N N 38 115.051 115.051 121.816 -6.765 17895 5007 1 19 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.263 0.158 17895 5008 1 19 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.381 2.615 17895 5009 1 19 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.362 -1.226 17895 5010 1 19 . 1 1 38 38 LYS H H 38 8.734 8.734 7.859 0.875 17895 5011 1 19 . 1 1 39 39 TYR N N 39 116.976 116.976 119.177 -2.201 17895 5012 1 19 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.372 0.237 17895 5013 1 19 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.181 -0.804 17895 5014 1 19 . 1 1 39 39 TYR H H 39 7.089 7.089 7.262 -0.173 17895 5015 1 19 . 1 1 40 40 ASN N N 40 123.607 123.607 120.587 3.020 17895 5016 1 19 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.029 0.347 17895 5017 1 19 . 1 1 40 40 ASN H H 40 8.862 8.862 8.386 0.476 17895 5018 1 19 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.519 -0.730 17895 5019 1 19 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.557 0.913 17895 5020 1 19 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.611 -0.150 17895 5021 1 19 . 1 1 42 42 SER N N 42 125.650 125.650 115.304 10.346 17895 5022 1 19 . 1 1 42 42 SER HA H 42 4.556 4.556 4.184 0.372 17895 5023 1 19 . 1 1 42 42 SER CA C 42 58.198 58.198 58.259 -0.061 17895 5024 1 19 . 1 1 42 42 SER H H 42 8.056 8.056 8.171 -0.115 17895 5025 1 19 . 1 1 43 43 LEU N N 43 120.689 120.689 124.430 -3.741 17895 5026 1 19 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.044 -0.131 17895 5027 1 19 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.513 0.732 17895 5028 1 19 . 1 1 43 43 LEU H H 43 9.296 9.296 8.741 0.555 17895 5029 1 19 . 1 1 44 44 GLN N N 44 115.960 115.960 119.117 -3.157 17895 5030 1 19 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.105 -0.408 17895 5031 1 19 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.202 1.670 17895 5032 1 19 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.319 0.831 17895 5033 1 19 . 1 1 44 44 GLN H H 44 8.915 8.915 8.601 0.314 17895 5034 1 19 . 1 1 45 45 LEU N N 45 119.431 119.431 120.239 -0.808 17895 5035 1 19 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.122 -0.230 17895 5036 1 19 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.846 -2.321 17895 5037 1 19 . 1 1 45 45 LEU H H 45 8.093 8.093 8.030 0.063 17895 5038 1 19 . 1 1 46 46 ALA N N 46 120.497 120.497 122.483 -1.986 17895 5039 1 19 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.203 -0.169 17895 5040 1 19 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.463 1.038 17895 5041 1 19 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.329 2.324 17895 5042 1 19 . 1 1 46 46 ALA H H 46 8.512 8.512 8.771 -0.259 17895 5043 1 19 . 1 1 47 47 LEU N N 47 116.461 116.461 118.882 -2.421 17895 5044 1 19 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.875 0.339 17895 5045 1 19 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.220 0.181 17895 5046 1 19 . 1 1 47 47 LEU H H 47 8.675 8.675 8.852 -0.177 17895 5047 1 19 . 1 1 48 48 LYS N N 48 120.970 120.970 120.161 0.809 17895 5048 1 19 . 1 1 48 48 LYS HA H 48 3.580 3.580 3.791 -0.211 17895 5049 1 19 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.849 0.878 17895 5050 1 19 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.320 0.848 17895 5051 1 19 . 1 1 48 48 LYS H H 48 8.053 8.053 8.153 -0.100 17895 5052 1 19 . 1 1 49 49 ILE N N 49 120.407 120.407 120.523 -0.116 17895 5053 1 19 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.776 -0.178 17895 5054 1 19 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.638 2.464 17895 5055 1 19 . 1 1 49 49 ILE H H 49 8.783 8.783 8.448 0.335 17895 5056 1 19 . 1 1 50 50 ALA N N 50 120.445 120.445 123.364 -2.919 17895 5057 1 19 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.041 0.029 17895 5058 1 19 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.266 1.134 17895 5059 1 19 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.147 0.758 17895 5060 1 19 . 1 1 50 50 ALA H H 50 8.182 8.182 8.561 -0.379 17895 5061 1 19 . 1 1 51 51 TYR N N 51 117.070 117.070 120.217 -3.147 17895 5062 1 19 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.012 0.341 17895 5063 1 19 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.230 0.123 17895 5064 1 19 . 1 1 51 51 TYR H H 51 8.170 8.170 8.596 -0.426 17895 5065 1 19 . 1 1 52 52 TYR N N 52 118.548 118.548 116.044 2.504 17895 5066 1 19 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.154 0.150 17895 5067 1 19 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.568 3.240 17895 5068 1 19 . 1 1 52 52 TYR H H 52 9.079 9.079 8.396 0.683 17895 5069 1 19 . 1 1 53 53 LEU N N 53 115.427 115.427 118.256 -2.829 17895 5070 1 19 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.131 0.405 17895 5071 1 19 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.151 -1.107 17895 5072 1 19 . 1 1 53 53 LEU H H 53 8.417 8.417 8.593 -0.176 17895 5073 1 19 . 1 1 54 54 ASN N N 54 122.105 122.105 115.475 6.630 17895 5074 1 19 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.360 0.089 17895 5075 1 19 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.811 0.880 17895 5076 1 19 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.970 1.661 17895 5077 1 19 . 1 1 54 54 ASN H H 54 8.090 8.090 8.195 -0.105 17895 5078 1 19 . 1 1 55 55 THR N N 55 114.929 114.929 113.047 1.882 17895 5079 1 19 . 1 1 55 55 THR HA H 55 4.933 4.933 4.767 0.166 17895 5080 1 19 . 1 1 55 55 THR CA C 55 60.962 60.962 59.849 1.113 17895 5081 1 19 . 1 1 55 55 THR CB C 55 75.743 75.743 71.453 4.290 17895 5082 1 19 . 1 1 55 55 THR H H 55 8.255 8.255 8.253 0.002 17895 5083 1 19 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.602 -0.006 17895 5084 1 19 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.543 1.061 17895 5085 1 19 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.566 0.353 17895 5086 1 19 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.077 -0.007 17895 5087 1 19 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.155 2.467 17895 5088 1 19 . 1 1 58 58 GLU N N 58 123.143 123.143 116.752 6.391 17895 5089 1 19 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.617 1.257 17895 5090 1 19 . 1 1 58 58 GLU CA C 58 59.499 59.499 58.418 1.081 17895 5091 1 19 . 1 1 58 58 GLU H H 58 9.365 9.365 8.551 0.814 17895 5092 1 19 . 1 1 59 59 ASP N N 59 117.681 117.681 117.373 0.308 17895 5093 1 19 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.342 0.281 17895 5094 1 19 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.356 0.106 17895 5095 1 19 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.991 -0.100 17895 5096 1 19 . 1 1 59 59 ASP H H 59 8.014 8.014 7.783 0.231 17895 5097 1 19 . 1 1 60 60 ILE N N 60 119.519 119.519 111.176 8.343 17895 5098 1 19 . 1 1 60 60 ILE H H 60 8.209 8.209 6.965 1.244 17895 5099 1 19 . 1 1 61 61 PHE N N 61 115.960 115.960 119.125 -3.165 17895 5100 1 19 . 1 1 61 61 PHE H H 61 8.532 8.532 8.383 0.149 17895 5101 1 19 . 1 1 62 62 GLN N N 62 116.724 116.724 121.751 -5.027 17895 5102 1 19 . 1 1 62 62 GLN H H 62 8.752 8.752 8.531 0.221 17895 5103 1 19 . 1 1 63 63 TRP N N 63 125.611 125.611 119.977 5.634 17895 5104 1 19 . 1 1 63 63 TRP H H 63 9.476 9.476 8.069 1.407 17895 5105 1 19 . 1 1 64 64 GLN N N 64 127.087 127.087 124.995 2.092 17895 5106 1 19 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.437 -0.258 17895 5107 1 19 . 1 1 64 64 GLN CA C 64 52.402 52.402 54.775 -2.373 17895 5108 1 19 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.695 2.878 17895 5109 1 19 . 1 1 64 64 GLN H H 64 7.989 7.989 8.164 -0.175 17895 5110 1 19 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.396 0.286 17895 5111 1 19 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.704 -1.190 17895 5112 1 20 . 1 1 2 2 ILE N N 2 123.202 123.202 122.431 0.771 17895 5113 1 20 . 1 1 2 2 ILE CB C 2 40.032 40.032 36.775 3.257 17895 5114 1 20 . 1 1 2 2 ILE H H 2 9.148 9.148 8.051 1.097 17895 5115 1 20 . 1 1 3 3 ILE N N 3 108.681 108.681 124.127 -15.446 17895 5116 1 20 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.909 0.521 17895 5117 1 20 . 1 1 3 3 ILE CA C 3 60.911 60.911 61.323 -0.412 17895 5118 1 20 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.137 1.418 17895 5119 1 20 . 1 1 3 3 ILE H H 3 9.416 9.416 8.502 0.914 17895 5120 1 20 . 1 1 4 4 ASN N N 4 123.966 123.966 111.981 11.985 17895 5121 1 20 . 1 1 4 4 ASN H H 4 9.081 9.081 8.470 0.611 17895 5122 1 20 . 1 1 5 5 ASN N N 5 120.745 120.745 117.799 2.946 17895 5123 1 20 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.696 0.733 17895 5124 1 20 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.675 -0.319 17895 5125 1 20 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.828 2.885 17895 5126 1 20 . 1 1 5 5 ASN H H 5 9.369 9.369 8.577 0.792 17895 5127 1 20 . 1 1 6 6 LEU N N 6 120.594 120.594 122.665 -2.071 17895 5128 1 20 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.750 0.016 17895 5129 1 20 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.233 2.366 17895 5130 1 20 . 1 1 6 6 LEU H H 6 8.538 8.538 7.760 0.778 17895 5131 1 20 . 1 1 7 7 LYS N N 7 118.177 118.177 118.266 -0.089 17895 5132 1 20 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.944 -0.036 17895 5133 1 20 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.240 2.066 17895 5134 1 20 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.084 2.119 17895 5135 1 20 . 1 1 7 7 LYS H H 7 8.940 8.940 7.908 1.032 17895 5136 1 20 . 1 1 8 8 LEU N N 8 116.356 116.356 119.763 -3.407 17895 5137 1 20 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.087 0.085 17895 5138 1 20 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.875 1.415 17895 5139 1 20 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.733 2.195 17895 5140 1 20 . 1 1 8 8 LEU H H 8 7.687 7.687 7.411 0.276 17895 5141 1 20 . 1 1 9 9 ILE N N 9 119.134 119.134 118.286 0.848 17895 5142 1 20 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.569 0.244 17895 5143 1 20 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.761 -1.903 17895 5144 1 20 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.421 0.409 17895 5145 1 20 . 1 1 9 9 ILE H H 9 8.225 8.225 7.399 0.826 17895 5146 1 20 . 1 1 10 10 ARG N N 10 120.162 120.162 121.261 -1.099 17895 5147 1 20 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.844 0.035 17895 5148 1 20 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.640 2.028 17895 5149 1 20 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.993 -0.594 17895 5150 1 20 . 1 1 10 10 ARG H H 10 9.259 9.259 8.578 0.681 17895 5151 1 20 . 1 1 11 11 GLU N N 11 115.878 115.878 118.207 -2.329 17895 5152 1 20 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.116 0.056 17895 5153 1 20 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.375 1.911 17895 5154 1 20 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.079 0.735 17895 5155 1 20 . 1 1 11 11 GLU H H 11 8.703 8.703 8.788 -0.085 17895 5156 1 20 . 1 1 12 12 LYS N N 12 122.935 122.935 121.124 1.811 17895 5157 1 20 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.003 0.203 17895 5158 1 20 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.132 1.143 17895 5159 1 20 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.582 0.316 17895 5160 1 20 . 1 1 12 12 LYS H H 12 8.256 8.256 7.990 0.266 17895 5161 1 20 . 1 1 13 13 LYS N N 13 116.350 116.350 116.025 0.325 17895 5162 1 20 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.258 0.038 17895 5163 1 20 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.040 -0.109 17895 5164 1 20 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.534 -0.085 17895 5165 1 20 . 1 1 13 13 LYS H H 13 7.813 7.813 7.750 0.063 17895 5166 1 20 . 1 1 14 14 LYS N N 14 115.317 115.317 114.333 0.984 17895 5167 1 20 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.040 -0.077 17895 5168 1 20 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.566 1.222 17895 5169 1 20 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.655 -0.607 17895 5170 1 20 . 1 1 14 14 LYS H H 14 8.068 8.068 7.337 0.731 17895 5171 1 20 . 1 1 15 15 ILE N N 15 118.373 118.373 119.778 -1.405 17895 5172 1 20 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.153 0.459 17895 5173 1 20 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.412 0.646 17895 5174 1 20 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.866 3.930 17895 5175 1 20 . 1 1 15 15 ILE H H 15 7.573 7.573 8.641 -1.068 17895 5176 1 20 . 1 1 16 16 SER N N 16 125.057 125.057 121.191 3.866 17895 5177 1 20 . 1 1 16 16 SER HA H 16 4.566 4.566 4.700 -0.134 17895 5178 1 20 . 1 1 16 16 SER CA C 16 57.781 57.781 57.793 -0.012 17895 5179 1 20 . 1 1 16 16 SER H H 16 9.457 9.457 9.740 -0.283 17895 5180 1 20 . 1 1 17 17 GLN N N 17 120.197 120.197 122.938 -2.741 17895 5181 1 20 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.029 -0.251 17895 5182 1 20 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.555 3.107 17895 5183 1 20 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.203 1.458 17895 5184 1 20 . 1 1 17 17 GLN H H 17 9.544 9.544 8.987 0.557 17895 5185 1 20 . 1 1 18 18 SER N N 18 112.998 112.998 114.133 -1.135 17895 5186 1 20 . 1 1 18 18 SER H H 18 8.985 8.985 8.634 0.351 17895 5187 1 20 . 1 1 19 19 GLU N N 19 124.112 124.112 121.877 2.235 17895 5188 1 20 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.033 0.073 17895 5189 1 20 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.037 0.476 17895 5190 1 20 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.186 1.253 17895 5191 1 20 . 1 1 19 19 GLU H H 19 8.349 8.349 7.741 0.608 17895 5192 1 20 . 1 1 20 20 LEU N N 20 119.955 119.955 117.835 2.120 17895 5193 1 20 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.970 0.156 17895 5194 1 20 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.477 0.915 17895 5195 1 20 . 1 1 20 20 LEU H H 20 8.321 8.321 7.569 0.752 17895 5196 1 20 . 1 1 21 21 ALA N N 21 119.830 119.830 122.639 -2.809 17895 5197 1 20 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.888 -0.179 17895 5198 1 20 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.241 1.031 17895 5199 1 20 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.855 -0.119 17895 5200 1 20 . 1 1 21 21 ALA H H 21 8.595 8.595 7.845 0.750 17895 5201 1 20 . 1 1 22 22 ALA N N 22 117.258 117.258 121.745 -4.487 17895 5202 1 20 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.038 0.225 17895 5203 1 20 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.663 0.846 17895 5204 1 20 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.471 0.059 17895 5205 1 20 . 1 1 22 22 ALA H H 22 7.818 7.818 7.663 0.155 17895 5206 1 20 . 1 1 23 23 LEU N N 23 118.586 118.586 118.426 0.160 17895 5207 1 20 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.903 0.057 17895 5208 1 20 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.093 0.907 17895 5209 1 20 . 1 1 23 23 LEU H H 23 7.537 7.537 7.900 -0.363 17895 5210 1 20 . 1 1 24 24 LEU N N 24 114.488 114.488 114.747 -0.259 17895 5211 1 20 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.202 0.061 17895 5212 1 20 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.061 -0.367 17895 5213 1 20 . 1 1 24 24 LEU H H 24 7.448 7.448 8.199 -0.751 17895 5214 1 20 . 1 1 25 25 GLU N N 25 114.895 114.895 114.097 0.798 17895 5215 1 20 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.131 -0.166 17895 5216 1 20 . 1 1 25 25 GLU CA C 25 58.048 58.048 56.954 1.094 17895 5217 1 20 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.819 0.074 17895 5218 1 20 . 1 1 25 25 GLU H H 25 8.028 8.028 7.831 0.197 17895 5219 1 20 . 1 1 26 26 VAL N N 26 109.697 109.697 112.726 -3.029 17895 5220 1 20 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.801 0.072 17895 5221 1 20 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.161 0.020 17895 5222 1 20 . 1 1 26 26 VAL H H 26 7.990 7.990 8.182 -0.192 17895 5223 1 20 . 1 1 27 27 SER N N 27 114.369 114.369 115.551 -1.182 17895 5224 1 20 . 1 1 27 27 SER HA H 27 4.643 4.643 4.510 0.133 17895 5225 1 20 . 1 1 27 27 SER CA C 27 57.345 57.345 57.440 -0.095 17895 5226 1 20 . 1 1 27 27 SER CB C 27 63.110 63.110 64.489 -1.379 17895 5227 1 20 . 1 1 27 27 SER H H 27 8.633 8.633 8.502 0.131 17895 5228 1 20 . 1 1 28 28 ARG N N 28 115.276 115.276 128.477 -13.201 17895 5229 1 20 . 1 1 28 28 ARG HA H 28 3.728 3.728 4.007 -0.279 17895 5230 1 20 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.796 0.962 17895 5231 1 20 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.287 -0.337 17895 5232 1 20 . 1 1 28 28 ARG H H 28 8.236 8.236 8.980 -0.744 17895 5233 1 20 . 1 1 29 29 GLN N N 29 117.309 117.309 117.039 0.270 17895 5234 1 20 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.039 0.114 17895 5235 1 20 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.958 1.055 17895 5236 1 20 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.704 0.764 17895 5237 1 20 . 1 1 29 29 GLN H H 29 8.835 8.835 8.270 0.565 17895 5238 1 20 . 1 1 30 30 THR N N 30 119.984 119.984 117.286 2.698 17895 5239 1 20 . 1 1 30 30 THR HA H 30 4.418 4.418 4.040 0.378 17895 5240 1 20 . 1 1 30 30 THR CA C 30 68.600 68.600 65.754 2.845 17895 5241 1 20 . 1 1 30 30 THR CB C 30 67.556 67.556 68.591 -1.035 17895 5242 1 20 . 1 1 30 30 THR H H 30 8.136 8.136 7.350 0.786 17895 5243 1 20 . 1 1 31 31 ILE N N 31 118.828 118.828 121.822 -2.994 17895 5244 1 20 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.740 0.045 17895 5245 1 20 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.382 -1.453 17895 5246 1 20 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.951 -0.974 17895 5247 1 20 . 1 1 31 31 ILE H H 31 7.162 7.162 7.647 -0.485 17895 5248 1 20 . 1 1 32 32 ASN N N 32 118.028 118.028 118.632 -0.604 17895 5249 1 20 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.855 -0.525 17895 5250 1 20 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.852 2.343 17895 5251 1 20 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.699 2.446 17895 5252 1 20 . 1 1 32 32 ASN H H 32 8.668 8.668 9.030 -0.362 17895 5253 1 20 . 1 1 33 33 GLY N N 33 124.941 124.941 109.577 15.364 17895 5254 1 20 . 1 1 33 33 GLY H H 33 8.656 8.656 8.644 0.012 17895 5255 1 20 . 1 1 34 34 ILE N N 34 122.198 122.198 121.992 0.206 17895 5256 1 20 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.586 0.698 17895 5257 1 20 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.755 0.785 17895 5258 1 20 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.788 1.398 17895 5259 1 20 . 1 1 34 34 ILE H H 34 8.205 8.205 7.576 0.629 17895 5260 1 20 . 1 1 35 35 GLU N N 35 120.651 120.651 116.832 3.819 17895 5261 1 20 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.220 -0.007 17895 5262 1 20 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.360 2.232 17895 5263 1 20 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.579 0.173 17895 5264 1 20 . 1 1 35 35 GLU H H 35 8.592 8.592 7.875 0.717 17895 5265 1 20 . 1 1 36 36 LYS N N 36 115.995 115.995 118.335 -2.340 17895 5266 1 20 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.092 0.410 17895 5267 1 20 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.906 -1.622 17895 5268 1 20 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.778 0.061 17895 5269 1 20 . 1 1 36 36 LYS H H 36 8.111 8.111 7.922 0.189 17895 5270 1 20 . 1 1 37 37 ASN N N 37 114.563 114.563 109.463 5.100 17895 5271 1 20 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.683 0.065 17895 5272 1 20 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.201 2.487 17895 5273 1 20 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.747 -1.943 17895 5274 1 20 . 1 1 37 37 ASN H H 37 8.223 8.223 8.350 -0.127 17895 5275 1 20 . 1 1 38 38 LYS N N 38 115.051 115.051 121.444 -6.393 17895 5276 1 20 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.311 0.110 17895 5277 1 20 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.830 1.166 17895 5278 1 20 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.174 0.962 17895 5279 1 20 . 1 1 38 38 LYS H H 38 8.734 8.734 8.103 0.631 17895 5280 1 20 . 1 1 39 39 TYR N N 39 116.976 116.976 118.054 -1.078 17895 5281 1 20 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.276 0.333 17895 5282 1 20 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.660 -1.283 17895 5283 1 20 . 1 1 39 39 TYR H H 39 7.089 7.089 8.457 -1.368 17895 5284 1 20 . 1 1 40 40 ASN N N 40 123.607 123.607 121.652 1.955 17895 5285 1 20 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.194 0.182 17895 5286 1 20 . 1 1 40 40 ASN H H 40 8.862 8.862 8.309 0.553 17895 5287 1 20 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.499 -0.710 17895 5288 1 20 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.573 0.897 17895 5289 1 20 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.563 -0.102 17895 5290 1 20 . 1 1 42 42 SER N N 42 125.650 125.650 114.582 11.068 17895 5291 1 20 . 1 1 42 42 SER HA H 42 4.556 4.556 4.240 0.316 17895 5292 1 20 . 1 1 42 42 SER CA C 42 58.198 58.198 58.561 -0.363 17895 5293 1 20 . 1 1 42 42 SER H H 42 8.056 8.056 8.189 -0.133 17895 5294 1 20 . 1 1 43 43 LEU N N 43 120.689 120.689 124.376 -3.687 17895 5295 1 20 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.902 0.011 17895 5296 1 20 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.559 0.686 17895 5297 1 20 . 1 1 43 43 LEU H H 43 9.296 9.296 8.742 0.554 17895 5298 1 20 . 1 1 44 44 GLN N N 44 115.960 115.960 119.913 -3.953 17895 5299 1 20 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.115 -0.418 17895 5300 1 20 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.811 2.061 17895 5301 1 20 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.550 0.600 17895 5302 1 20 . 1 1 44 44 GLN H H 44 8.915 8.915 8.451 0.464 17895 5303 1 20 . 1 1 45 45 LEU N N 45 119.431 119.431 120.361 -0.930 17895 5304 1 20 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.066 -0.174 17895 5305 1 20 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.750 -2.226 17895 5306 1 20 . 1 1 45 45 LEU H H 45 8.093 8.093 8.033 0.060 17895 5307 1 20 . 1 1 46 46 ALA N N 46 120.497 120.497 122.574 -2.077 17895 5308 1 20 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.047 -0.013 17895 5309 1 20 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.443 1.058 17895 5310 1 20 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.150 2.503 17895 5311 1 20 . 1 1 46 46 ALA H H 46 8.512 8.512 8.819 -0.307 17895 5312 1 20 . 1 1 47 47 LEU N N 47 116.461 116.461 119.059 -2.598 17895 5313 1 20 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.864 0.350 17895 5314 1 20 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.194 0.207 17895 5315 1 20 . 1 1 47 47 LEU H H 47 8.675 8.675 8.739 -0.064 17895 5316 1 20 . 1 1 48 48 LYS N N 48 120.970 120.970 120.259 0.711 17895 5317 1 20 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.092 -0.512 17895 5318 1 20 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.998 0.729 17895 5319 1 20 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.380 0.788 17895 5320 1 20 . 1 1 48 48 LYS H H 48 8.053 8.053 8.447 -0.394 17895 5321 1 20 . 1 1 49 49 ILE N N 49 120.407 120.407 120.494 -0.087 17895 5322 1 20 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.782 -0.184 17895 5323 1 20 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.186 2.917 17895 5324 1 20 . 1 1 49 49 ILE H H 49 8.783 8.783 8.602 0.181 17895 5325 1 20 . 1 1 50 50 ALA N N 50 120.445 120.445 123.014 -2.569 17895 5326 1 20 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.145 -0.075 17895 5327 1 20 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.009 1.391 17895 5328 1 20 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.507 0.398 17895 5329 1 20 . 1 1 50 50 ALA H H 50 8.182 8.182 8.886 -0.704 17895 5330 1 20 . 1 1 51 51 TYR N N 51 117.070 117.070 120.536 -3.466 17895 5331 1 20 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.091 0.262 17895 5332 1 20 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.026 0.327 17895 5333 1 20 . 1 1 51 51 TYR H H 51 8.170 8.170 8.762 -0.592 17895 5334 1 20 . 1 1 52 52 TYR N N 52 118.548 118.548 118.416 0.132 17895 5335 1 20 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.013 0.291 17895 5336 1 20 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.917 2.891 17895 5337 1 20 . 1 1 52 52 TYR H H 52 9.079 9.079 8.005 1.074 17895 5338 1 20 . 1 1 53 53 LEU N N 53 115.427 115.427 118.359 -2.932 17895 5339 1 20 . 1 1 53 53 LEU HA H 53 4.536 4.536 3.865 0.671 17895 5340 1 20 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.903 -0.859 17895 5341 1 20 . 1 1 53 53 LEU H H 53 8.417 8.417 8.559 -0.142 17895 5342 1 20 . 1 1 54 54 ASN N N 54 122.105 122.105 115.848 6.257 17895 5343 1 20 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.282 0.167 17895 5344 1 20 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.686 1.005 17895 5345 1 20 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.516 2.115 17895 5346 1 20 . 1 1 54 54 ASN H H 54 8.090 8.090 8.273 -0.183 17895 5347 1 20 . 1 1 55 55 THR N N 55 114.929 114.929 113.981 0.948 17895 5348 1 20 . 1 1 55 55 THR HA H 55 4.933 4.933 4.600 0.333 17895 5349 1 20 . 1 1 55 55 THR CA C 55 60.962 60.962 60.772 0.190 17895 5350 1 20 . 1 1 55 55 THR CB C 55 75.743 75.743 71.526 4.217 17895 5351 1 20 . 1 1 55 55 THR H H 55 8.255 8.255 7.659 0.596 17895 5352 1 20 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.529 0.067 17895 5353 1 20 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.781 0.823 17895 5354 1 20 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.259 0.660 17895 5355 1 20 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.059 0.011 17895 5356 1 20 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.379 2.244 17895 5357 1 20 . 1 1 58 58 GLU N N 58 123.143 123.143 117.777 5.366 17895 5358 1 20 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.086 0.788 17895 5359 1 20 . 1 1 58 58 GLU CA C 58 59.499 59.499 58.729 0.770 17895 5360 1 20 . 1 1 58 58 GLU H H 58 9.365 9.365 8.331 1.034 17895 5361 1 20 . 1 1 59 59 ASP N N 59 117.681 117.681 119.558 -1.877 17895 5362 1 20 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.216 0.407 17895 5363 1 20 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.088 0.374 17895 5364 1 20 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.889 0.002 17895 5365 1 20 . 1 1 59 59 ASP H H 59 8.014 8.014 7.204 0.810 17895 5366 1 20 . 1 1 60 60 ILE N N 60 119.519 119.519 118.000 1.519 17895 5367 1 20 . 1 1 60 60 ILE H H 60 8.209 8.209 7.445 0.764 17895 5368 1 20 . 1 1 61 61 PHE N N 61 115.960 115.960 117.236 -1.276 17895 5369 1 20 . 1 1 61 61 PHE H H 61 8.532 8.532 8.520 0.012 17895 5370 1 20 . 1 1 62 62 GLN N N 62 116.724 116.724 120.575 -3.851 17895 5371 1 20 . 1 1 62 62 GLN H H 62 8.752 8.752 8.441 0.311 17895 5372 1 20 . 1 1 63 63 TRP N N 63 125.611 125.611 122.239 3.372 17895 5373 1 20 . 1 1 63 63 TRP H H 63 9.476 9.476 8.768 0.708 17895 5374 1 20 . 1 1 64 64 GLN N N 64 127.087 127.087 117.901 9.186 17895 5375 1 20 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.971 -0.792 17895 5376 1 20 . 1 1 64 64 GLN CA C 64 52.402 52.402 54.233 -1.831 17895 5377 1 20 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.828 3.745 17895 5378 1 20 . 1 1 64 64 GLN H H 64 7.989 7.989 8.059 -0.070 17895 5379 1 20 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.385 0.297 17895 5380 1 20 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.790 -1.276 17895 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 60 4.921 0.409 4.945 17895 2 1 1 "Average Difference" HA 55 0.288 -0.087 0.277 17895 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17895 4 1 1 "Average Difference" CA 55 1.507 -0.722 1.334 17895 5 1 1 "Average Difference" CB 39 1.700 -1.020 1.378 17895 6 1 1 "Average Difference" HN 60 0.501 -0.176 0.474 17895 7 1 2 "Average Difference" N 60 4.774 0.118 4.813 17895 8 1 2 "Average Difference" HA 55 0.337 -0.100 0.325 17895 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17895 10 1 2 "Average Difference" CA 55 1.519 -0.649 1.386 17895 11 1 2 "Average Difference" CB 39 1.712 -0.921 1.462 17895 12 1 2 "Average Difference" HN 60 0.620 -0.226 0.582 17895 13 1 3 "Average Difference" N 60 4.974 0.106 5.015 17895 14 1 3 "Average Difference" HA 55 0.336 -0.107 0.322 17895 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17895 16 1 3 "Average Difference" CA 55 1.695 -0.580 1.607 17895 17 1 3 "Average Difference" CB 39 1.819 -0.988 1.548 17895 18 1 3 "Average Difference" HN 60 0.648 -0.284 0.587 17895 19 1 4 "Average Difference" N 60 4.918 0.242 4.954 17895 20 1 4 "Average Difference" HA 55 0.374 -0.087 0.368 17895 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17895 22 1 4 "Average Difference" CA 55 1.548 -0.738 1.373 17895 23 1 4 "Average Difference" CB 39 1.578 -0.718 1.423 17895 24 1 4 "Average Difference" HN 60 0.656 -0.206 0.629 17895 25 1 5 "Average Difference" N 60 4.745 -0.451 4.764 17895 26 1 5 "Average Difference" HA 55 0.314 -0.113 0.296 17895 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17895 28 1 5 "Average Difference" CA 55 1.607 -0.593 1.507 17895 29 1 5 "Average Difference" CB 39 1.761 -0.929 1.516 17895 30 1 5 "Average Difference" HN 60 0.639 -0.293 0.573 17895 31 1 6 "Average Difference" N 60 4.447 0.494 4.456 17895 32 1 6 "Average Difference" HA 55 0.327 -0.066 0.323 17895 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17895 34 1 6 "Average Difference" CA 55 1.457 -0.716 1.281 17895 35 1 6 "Average Difference" CB 39 1.579 -0.791 1.384 17895 36 1 6 "Average Difference" HN 60 0.647 -0.215 0.615 17895 37 1 7 "Average Difference" N 60 4.855 0.501 4.870 17895 38 1 7 "Average Difference" HA 55 0.304 -0.055 0.301 17895 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17895 40 1 7 "Average Difference" CA 55 1.583 -0.724 1.420 17895 41 1 7 "Average Difference" CB 39 1.591 -0.773 1.409 17895 42 1 7 "Average Difference" HN 60 0.561 -0.121 0.552 17895 43 1 8 "Average Difference" N 60 4.849 0.128 4.888 17895 44 1 8 "Average Difference" HA 55 0.327 -0.105 0.313 17895 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17895 46 1 8 "Average Difference" CA 55 1.548 -0.675 1.406 17895 47 1 8 "Average Difference" CB 39 1.868 -0.939 1.636 17895 48 1 8 "Average Difference" HN 60 0.570 -0.207 0.535 17895 49 1 9 "Average Difference" N 60 4.647 0.627 4.643 17895 50 1 9 "Average Difference" HA 55 0.326 -0.087 0.317 17895 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17895 52 1 9 "Average Difference" CA 55 1.472 -0.704 1.304 17895 53 1 9 "Average Difference" CB 39 1.564 -0.815 1.353 17895 54 1 9 "Average Difference" HN 60 0.615 -0.193 0.589 17895 55 1 10 "Average Difference" N 60 4.927 0.468 4.946 17895 56 1 10 "Average Difference" HA 55 0.337 -0.079 0.330 17895 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17895 58 1 10 "Average Difference" CA 55 1.492 -0.650 1.356 17895 59 1 10 "Average Difference" CB 39 1.515 -0.663 1.381 17895 60 1 10 "Average Difference" HN 60 0.604 -0.133 0.594 17895 61 1 11 "Average Difference" N 60 5.096 0.191 5.136 17895 62 1 11 "Average Difference" HA 55 0.317 -0.080 0.310 17895 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17895 64 1 11 "Average Difference" CA 55 1.527 -0.695 1.372 17895 65 1 11 "Average Difference" CB 39 1.873 -0.958 1.630 17895 66 1 11 "Average Difference" HN 60 0.626 -0.274 0.568 17895 67 1 12 "Average Difference" N 60 4.734 0.220 4.769 17895 68 1 12 "Average Difference" HA 55 0.327 -0.082 0.319 17895 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17895 70 1 12 "Average Difference" CA 55 1.590 -0.751 1.414 17895 71 1 12 "Average Difference" CB 39 1.870 -0.880 1.671 17895 72 1 12 "Average Difference" HN 60 0.532 -0.173 0.507 17895 73 1 13 "Average Difference" N 60 4.468 0.155 4.503 17895 74 1 13 "Average Difference" HA 55 0.321 -0.072 0.316 17895 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17895 76 1 13 "Average Difference" CA 55 1.538 -0.606 1.426 17895 77 1 13 "Average Difference" CB 39 1.827 -1.051 1.514 17895 78 1 13 "Average Difference" HN 60 0.628 -0.182 0.606 17895 79 1 14 "Average Difference" N 60 4.766 0.443 4.785 17895 80 1 14 "Average Difference" HA 55 0.290 -0.060 0.286 17895 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17895 82 1 14 "Average Difference" CA 55 1.538 -0.697 1.384 17895 83 1 14 "Average Difference" CB 39 1.506 -0.804 1.290 17895 84 1 14 "Average Difference" HN 60 0.571 -0.210 0.536 17895 85 1 15 "Average Difference" N 60 4.925 0.207 4.962 17895 86 1 15 "Average Difference" HA 55 0.342 -0.092 0.332 17895 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17895 88 1 15 "Average Difference" CA 55 1.544 -0.661 1.408 17895 89 1 15 "Average Difference" CB 39 1.713 -0.971 1.429 17895 90 1 15 "Average Difference" HN 60 0.615 -0.255 0.564 17895 91 1 16 "Average Difference" N 60 4.250 0.166 4.282 17895 92 1 16 "Average Difference" HA 55 0.304 -0.094 0.292 17895 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17895 94 1 16 "Average Difference" CA 55 1.763 -0.607 1.671 17895 95 1 16 "Average Difference" CB 39 1.774 -0.836 1.586 17895 96 1 16 "Average Difference" HN 60 0.545 -0.157 0.527 17895 97 1 17 "Average Difference" N 60 4.672 -0.110 4.710 17895 98 1 17 "Average Difference" HA 55 0.330 -0.096 0.319 17895 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17895 100 1 17 "Average Difference" CA 55 1.667 -0.596 1.571 17895 101 1 17 "Average Difference" CB 39 1.941 -0.981 1.696 17895 102 1 17 "Average Difference" HN 60 0.631 -0.248 0.585 17895 103 1 18 "Average Difference" N 60 4.803 -0.286 4.835 17895 104 1 18 "Average Difference" HA 55 0.321 -0.113 0.303 17895 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17895 106 1 18 "Average Difference" CA 55 1.614 -0.569 1.525 17895 107 1 18 "Average Difference" CB 39 1.799 -0.980 1.528 17895 108 1 18 "Average Difference" HN 60 0.536 -0.187 0.507 17895 109 1 19 "Average Difference" N 60 4.444 -0.055 4.481 17895 110 1 19 "Average Difference" HA 55 0.338 -0.098 0.326 17895 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17895 112 1 19 "Average Difference" CA 55 1.568 -0.681 1.426 17895 113 1 19 "Average Difference" CB 39 1.667 -0.807 1.477 17895 114 1 19 "Average Difference" HN 60 0.591 -0.230 0.549 17895 115 1 20 "Average Difference" N 60 4.815 0.010 4.855 17895 116 1 20 "Average Difference" HA 55 0.335 -0.087 0.326 17895 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17895 118 1 20 "Average Difference" CA 55 1.483 -0.718 1.310 17895 119 1 20 "Average Difference" CB 39 1.698 -0.870 1.477 17895 120 1 20 "Average Difference" HN 60 0.606 -0.230 0.566 17895 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 17895 _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 2 2 ILE N N 2 123.202 123.202 120.892 2.310 17895 2 1 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.804 1.228 17895 3 1 . 1 1 2 2 ILE H H 2 9.148 9.148 7.961 1.187 17895 4 1 . 1 1 3 3 ILE N N 3 108.681 108.681 124.228 -15.547 17895 5 1 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.981 0.449 17895 6 1 . 1 1 3 3 ILE CA C 3 60.911 60.911 60.985 -0.074 17895 7 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.729 2.826 17895 8 1 . 1 1 3 3 ILE H H 3 9.416 9.416 8.699 0.717 17895 9 1 . 1 1 4 4 ASN N N 4 123.966 123.966 119.887 4.079 17895 10 1 . 1 1 4 4 ASN H H 4 9.081 9.081 8.782 0.299 17895 11 1 . 1 1 5 5 ASN N N 5 120.745 120.745 117.610 3.135 17895 12 1 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.588 0.841 17895 13 1 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.733 -0.377 17895 14 1 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.476 3.237 17895 15 1 . 1 1 5 5 ASN H H 5 9.369 9.369 8.203 1.166 17895 16 1 . 1 1 6 6 LEU N N 6 120.594 120.594 122.597 -2.003 17895 17 1 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.861 -0.095 17895 18 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.089 2.510 17895 19 1 . 1 1 6 6 LEU H H 6 8.538 8.538 7.934 0.604 17895 20 1 . 1 1 7 7 LYS N N 7 118.177 118.177 118.381 -0.204 17895 21 1 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.996 -0.088 17895 22 1 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.177 2.129 17895 23 1 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.102 2.101 17895 24 1 . 1 1 7 7 LYS H H 7 8.940 8.940 8.030 0.910 17895 25 1 . 1 1 8 8 LEU N N 8 116.356 116.356 120.070 -3.714 17895 26 1 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.106 0.066 17895 27 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.115 1.175 17895 28 1 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.739 2.189 17895 29 1 . 1 1 8 8 LEU H H 8 7.687 7.687 7.590 0.097 17895 30 1 . 1 1 9 9 ILE N N 9 119.134 119.134 118.464 0.670 17895 31 1 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.589 0.224 17895 32 1 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.026 -1.167 17895 33 1 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.351 0.479 17895 34 1 . 1 1 9 9 ILE H H 9 8.225 8.225 7.450 0.775 17895 35 1 . 1 1 10 10 ARG N N 10 120.162 120.162 120.940 -0.778 17895 36 1 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.900 -0.021 17895 37 1 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.632 2.036 17895 38 1 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.179 -0.780 17895 39 1 . 1 1 10 10 ARG H H 10 9.259 9.259 8.663 0.596 17895 40 1 . 1 1 11 11 GLU N N 11 115.878 115.878 118.797 -2.919 17895 41 1 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.144 0.028 17895 42 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.851 1.435 17895 43 1 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.850 0.964 17895 44 1 . 1 1 11 11 GLU H H 11 8.703 8.703 8.898 -0.195 17895 45 1 . 1 1 12 12 LYS N N 12 122.935 122.935 121.687 1.248 17895 46 1 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.012 0.194 17895 47 1 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.144 1.131 17895 48 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.547 0.351 17895 49 1 . 1 1 12 12 LYS H H 12 8.256 8.256 8.079 0.177 17895 50 1 . 1 1 13 13 LYS N N 13 116.350 116.350 115.512 0.838 17895 51 1 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.343 -0.047 17895 52 1 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.792 0.139 17895 53 1 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.603 -0.154 17895 54 1 . 1 1 13 13 LYS H H 13 7.813 7.813 7.615 0.198 17895 55 1 . 1 1 14 14 LYS N N 14 115.317 115.317 115.669 -0.352 17895 56 1 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.987 -0.024 17895 57 1 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.661 1.127 17895 58 1 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.689 -0.641 17895 59 1 . 1 1 14 14 LYS H H 14 8.068 8.068 7.725 0.343 17895 60 1 . 1 1 15 15 ILE N N 15 118.373 118.373 120.436 -2.063 17895 61 1 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.198 0.414 17895 62 1 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.041 1.017 17895 63 1 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.176 3.620 17895 64 1 . 1 1 15 15 ILE H H 15 7.573 7.573 8.564 -0.991 17895 65 1 . 1 1 16 16 SER N N 16 125.057 125.057 122.957 2.100 17895 66 1 . 1 1 16 16 SER HA H 16 4.566 4.566 4.582 -0.016 17895 67 1 . 1 1 16 16 SER CA C 16 57.781 57.781 58.235 -0.454 17895 68 1 . 1 1 16 16 SER H H 16 9.457 9.457 9.277 0.180 17895 69 1 . 1 1 17 17 GLN N N 17 120.197 120.197 124.403 -4.206 17895 70 1 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.056 -0.278 17895 71 1 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.602 3.060 17895 72 1 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.263 1.398 17895 73 1 . 1 1 17 17 GLN H H 17 9.544 9.544 9.031 0.513 17895 74 1 . 1 1 18 18 SER N N 18 112.998 112.998 115.134 -2.136 17895 75 1 . 1 1 18 18 SER H H 18 8.985 8.985 8.572 0.413 17895 76 1 . 1 1 19 19 GLU N N 19 124.112 124.112 121.692 2.420 17895 77 1 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.084 0.022 17895 78 1 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.826 0.687 17895 79 1 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.114 1.325 17895 80 1 . 1 1 19 19 GLU H H 19 8.349 8.349 8.201 0.148 17895 81 1 . 1 1 20 20 LEU N N 20 119.955 119.955 120.888 -0.933 17895 82 1 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.956 0.170 17895 83 1 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.868 0.524 17895 84 1 . 1 1 20 20 LEU H H 20 8.321 8.321 7.929 0.392 17895 85 1 . 1 1 21 21 ALA N N 21 119.830 119.830 121.381 -1.551 17895 86 1 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.894 -0.185 17895 87 1 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.114 1.158 17895 88 1 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.976 -0.241 17895 89 1 . 1 1 21 21 ALA H H 21 8.595 8.595 8.507 0.088 17895 90 1 . 1 1 22 22 ALA N N 22 117.258 117.258 121.169 -3.911 17895 91 1 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.999 0.264 17895 92 1 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.707 0.802 17895 93 1 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.423 0.107 17895 94 1 . 1 1 22 22 ALA H H 22 7.818 7.818 7.622 0.197 17895 95 1 . 1 1 23 23 LEU N N 23 118.586 118.586 118.173 0.413 17895 96 1 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.736 0.224 17895 97 1 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.039 0.961 17895 98 1 . 1 1 23 23 LEU H H 23 7.537 7.537 7.659 -0.122 17895 99 1 . 1 1 24 24 LEU N N 24 114.488 114.488 114.602 -0.114 17895 100 1 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.141 0.122 17895 101 1 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.984 -0.290 17895 102 1 . 1 1 24 24 LEU H H 24 7.448 7.448 7.921 -0.473 17895 103 1 . 1 1 25 25 GLU N N 25 114.895 114.895 113.324 1.571 17895 104 1 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.018 -0.053 17895 105 1 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.187 0.861 17895 106 1 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.633 0.260 17895 107 1 . 1 1 25 25 GLU H H 25 8.028 8.028 7.909 0.119 17895 108 1 . 1 1 26 26 VAL N N 26 109.697 109.697 112.745 -3.048 17895 109 1 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.544 0.329 17895 110 1 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.384 -0.203 17895 111 1 . 1 1 26 26 VAL H H 26 7.990 7.990 7.750 0.240 17895 112 1 . 1 1 27 27 SER N N 27 114.369 114.369 116.213 -1.844 17895 113 1 . 1 1 27 27 SER HA H 27 4.643 4.643 4.515 0.128 17895 114 1 . 1 1 27 27 SER CA C 27 57.345 57.345 58.153 -0.809 17895 115 1 . 1 1 27 27 SER CB C 27 63.110 63.110 64.259 -1.149 17895 116 1 . 1 1 27 27 SER H H 27 8.633 8.633 8.449 0.184 17895 117 1 . 1 1 28 28 ARG N N 28 115.276 115.276 126.379 -11.103 17895 118 1 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.932 -0.204 17895 119 1 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.236 0.522 17895 120 1 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.038 -0.088 17895 121 1 . 1 1 28 28 ARG H H 28 8.236 8.236 8.993 -0.757 17895 122 1 . 1 1 29 29 GLN N N 29 117.309 117.309 116.568 0.741 17895 123 1 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.125 0.028 17895 124 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.994 1.019 17895 125 1 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.627 0.841 17895 126 1 . 1 1 29 29 GLN H H 29 8.835 8.835 8.797 0.038 17895 127 1 . 1 1 30 30 THR N N 30 119.984 119.984 115.425 4.559 17895 128 1 . 1 1 30 30 THR HA H 30 4.418 4.418 4.063 0.355 17895 129 1 . 1 1 30 30 THR CA C 30 68.600 68.600 65.655 2.945 17895 130 1 . 1 1 30 30 THR CB C 30 67.556 67.556 68.541 -0.985 17895 131 1 . 1 1 30 30 THR H H 30 8.136 8.136 7.540 0.596 17895 132 1 . 1 1 31 31 ILE N N 31 118.828 118.828 122.111 -3.283 17895 133 1 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.787 -0.002 17895 134 1 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.607 -1.678 17895 135 1 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.949 -0.972 17895 136 1 . 1 1 31 31 ILE H H 31 7.162 7.162 7.790 -0.628 17895 137 1 . 1 1 32 32 ASN N N 32 118.028 118.028 117.772 0.256 17895 138 1 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.702 -0.372 17895 139 1 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.436 2.759 17895 140 1 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.761 2.384 17895 141 1 . 1 1 32 32 ASN H H 32 8.668 8.668 8.851 -0.183 17895 142 1 . 1 1 33 33 GLY N N 33 124.941 124.941 109.196 15.745 17895 143 1 . 1 1 33 33 GLY H H 33 8.656 8.656 7.889 0.767 17895 144 1 . 1 1 34 34 ILE N N 34 122.198 122.198 122.863 -0.665 17895 145 1 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.703 0.581 17895 146 1 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.773 0.767 17895 147 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.972 1.214 17895 148 1 . 1 1 34 34 ILE H H 34 8.205 8.205 8.008 0.197 17895 149 1 . 1 1 35 35 GLU N N 35 120.651 120.651 118.043 2.608 17895 150 1 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.239 -0.026 17895 151 1 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.598 1.994 17895 152 1 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.245 0.507 17895 153 1 . 1 1 35 35 GLU H H 35 8.592 8.592 7.979 0.613 17895 154 1 . 1 1 36 36 LYS N N 36 115.995 115.995 118.912 -2.917 17895 155 1 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.097 0.405 17895 156 1 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.258 -1.974 17895 157 1 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.119 -0.280 17895 158 1 . 1 1 36 36 LYS H H 36 8.111 8.111 7.726 0.385 17895 159 1 . 1 1 37 37 ASN N N 37 114.563 114.563 111.708 2.855 17895 160 1 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.652 0.096 17895 161 1 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.256 2.432 17895 162 1 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.001 -1.197 17895 163 1 . 1 1 37 37 ASN H H 37 8.223 8.223 8.314 -0.091 17895 164 1 . 1 1 38 38 LYS N N 38 115.051 115.051 121.486 -6.435 17895 165 1 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.161 0.260 17895 166 1 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.491 1.505 17895 167 1 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.977 0.159 17895 168 1 . 1 1 38 38 LYS H H 38 8.734 8.734 8.003 0.731 17895 169 1 . 1 1 39 39 TYR N N 39 116.976 116.976 119.007 -2.031 17895 170 1 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.345 0.265 17895 171 1 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.353 -0.976 17895 172 1 . 1 1 39 39 TYR H H 39 7.089 7.089 7.786 -0.697 17895 173 1 . 1 1 40 40 ASN N N 40 123.607 123.607 121.111 2.496 17895 174 1 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.663 0.713 17895 175 1 . 1 1 40 40 ASN H H 40 8.862 8.862 8.379 0.483 17895 176 1 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.449 -0.660 17895 177 1 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.579 0.891 17895 178 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.289 0.172 17895 179 1 . 1 1 42 42 SER N N 42 125.650 125.650 115.451 10.199 17895 180 1 . 1 1 42 42 SER HA H 42 4.556 4.556 4.279 0.277 17895 181 1 . 1 1 42 42 SER CA C 42 58.198 58.198 58.288 -0.090 17895 182 1 . 1 1 42 42 SER H H 42 8.056 8.056 8.205 -0.149 17895 183 1 . 1 1 43 43 LEU N N 43 120.689 120.689 124.297 -3.608 17895 184 1 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.023 -0.110 17895 185 1 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.535 0.710 17895 186 1 . 1 1 43 43 LEU H H 43 9.296 9.296 8.738 0.558 17895 187 1 . 1 1 44 44 GLN N N 44 115.960 115.960 119.316 -3.356 17895 188 1 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.125 -0.428 17895 189 1 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.051 1.821 17895 190 1 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.313 0.837 17895 191 1 . 1 1 44 44 GLN H H 44 8.915 8.915 8.578 0.337 17895 192 1 . 1 1 45 45 LEU N N 45 119.431 119.431 120.419 -0.988 17895 193 1 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.105 -0.213 17895 194 1 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.765 -2.241 17895 195 1 . 1 1 45 45 LEU H H 45 8.093 8.093 7.974 0.119 17895 196 1 . 1 1 46 46 ALA N N 46 120.497 120.497 122.521 -2.024 17895 197 1 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.065 -0.031 17895 198 1 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.425 1.076 17895 199 1 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.255 2.398 17895 200 1 . 1 1 46 46 ALA H H 46 8.512 8.512 8.708 -0.197 17895 201 1 . 1 1 47 47 LEU N N 47 116.461 116.461 119.007 -2.546 17895 202 1 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.829 0.385 17895 203 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.185 0.216 17895 204 1 . 1 1 47 47 LEU H H 47 8.675 8.675 8.813 -0.138 17895 205 1 . 1 1 48 48 LYS N N 48 120.970 120.970 120.152 0.818 17895 206 1 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.141 -0.561 17895 207 1 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.079 0.649 17895 208 1 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.458 0.710 17895 209 1 . 1 1 48 48 LYS H H 48 8.053 8.053 8.359 -0.306 17895 210 1 . 1 1 49 49 ILE N N 49 120.407 120.407 120.533 -0.126 17895 211 1 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.790 -0.192 17895 212 1 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.457 2.645 17895 213 1 . 1 1 49 49 ILE H H 49 8.783 8.783 8.516 0.267 17895 214 1 . 1 1 50 50 ALA N N 50 120.445 120.445 123.339 -2.894 17895 215 1 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.110 -0.040 17895 216 1 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.187 1.213 17895 217 1 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.308 0.597 17895 218 1 . 1 1 50 50 ALA H H 50 8.182 8.182 8.713 -0.531 17895 219 1 . 1 1 51 51 TYR N N 51 117.070 117.070 119.752 -2.682 17895 220 1 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.076 0.277 17895 221 1 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.875 0.478 17895 222 1 . 1 1 51 51 TYR H H 51 8.170 8.170 8.619 -0.449 17895 223 1 . 1 1 52 52 TYR N N 52 118.548 118.548 116.925 1.623 17895 224 1 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.119 0.185 17895 225 1 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.171 2.637 17895 226 1 . 1 1 52 52 TYR H H 52 9.079 9.079 8.279 0.800 17895 227 1 . 1 1 53 53 LEU N N 53 115.427 115.427 117.602 -2.175 17895 228 1 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.094 0.442 17895 229 1 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.189 -1.145 17895 230 1 . 1 1 53 53 LEU H H 53 8.417 8.417 8.500 -0.082 17895 231 1 . 1 1 54 54 ASN N N 54 122.105 122.105 114.914 7.191 17895 232 1 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.399 0.050 17895 233 1 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.061 0.630 17895 234 1 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.949 1.682 17895 235 1 . 1 1 54 54 ASN H H 54 8.090 8.090 8.382 -0.292 17895 236 1 . 1 1 55 55 THR N N 55 114.929 114.929 115.054 -0.125 17895 237 1 . 1 1 55 55 THR HA H 55 4.933 4.933 4.712 0.221 17895 238 1 . 1 1 55 55 THR CA C 55 60.962 60.962 60.235 0.727 17895 239 1 . 1 1 55 55 THR CB C 55 75.743 75.743 71.268 4.475 17895 240 1 . 1 1 55 55 THR H H 55 8.255 8.255 7.997 0.258 17895 241 1 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.519 0.077 17895 242 1 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.569 1.035 17895 243 1 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.411 0.508 17895 244 1 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.096 -0.026 17895 245 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.299 2.323 17895 246 1 . 1 1 58 58 GLU N N 58 123.143 123.143 117.933 5.210 17895 247 1 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.071 0.803 17895 248 1 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.251 0.248 17895 249 1 . 1 1 58 58 GLU H H 58 9.365 9.365 8.620 0.745 17895 250 1 . 1 1 59 59 ASP N N 59 117.681 117.681 118.096 -0.415 17895 251 1 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.406 0.217 17895 252 1 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.571 -0.109 17895 253 1 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.830 0.060 17895 254 1 . 1 1 59 59 ASP H H 59 8.014 8.014 7.618 0.396 17895 255 1 . 1 1 60 60 ILE N N 60 119.519 119.519 114.298 5.221 17895 256 1 . 1 1 60 60 ILE H H 60 8.209 8.209 7.383 0.826 17895 257 1 . 1 1 61 61 PHE N N 61 115.960 115.960 117.457 -1.497 17895 258 1 . 1 1 61 61 PHE H H 61 8.532 8.532 8.288 0.244 17895 259 1 . 1 1 62 62 GLN N N 62 116.724 116.724 121.176 -4.452 17895 260 1 . 1 1 62 62 GLN H H 62 8.752 8.752 8.349 0.403 17895 261 1 . 1 1 63 63 TRP N N 63 125.611 125.611 123.303 2.308 17895 262 1 . 1 1 63 63 TRP H H 63 9.476 9.476 8.341 1.135 17895 263 1 . 1 1 64 64 GLN N N 64 127.087 127.087 119.808 7.279 17895 264 1 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.417 -0.238 17895 265 1 . 1 1 64 64 GLN CA C 64 52.402 52.402 54.899 -2.497 17895 266 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.922 3.651 17895 267 1 . 1 1 64 64 GLN H H 64 7.989 7.989 8.556 -0.567 17895 268 1 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.336 0.346 17895 269 1 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.758 -1.244 17895 stop_ save_