data_17952 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17952 _Entry.PDB_ID 2LJP 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 17952 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.652 0.539 17952 2 1 1 . 1 1 3 3 LYS CB C 3 32.966 32.966 32.688 0.278 17952 3 1 1 . 1 1 4 4 LEU N N 4 125.667 125.667 124.001 1.666 17952 4 1 1 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.220 0.167 17952 5 1 1 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.503 -0.836 17952 6 1 1 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.693 0.925 17952 7 1 1 . 1 1 4 4 LEU H H 4 8.498 8.498 8.509 -0.011 17952 8 1 1 . 1 1 5 5 ALA N N 5 126.419 126.419 121.419 5.000 17952 9 1 1 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.353 0.018 17952 10 1 1 . 1 1 5 5 ALA CB C 5 19.337 19.337 17.946 1.391 17952 11 1 1 . 1 1 5 5 ALA H H 5 8.435 8.435 7.896 0.539 17952 12 1 1 . 1 1 6 6 PHE N N 6 124.718 124.718 124.290 0.428 17952 13 1 1 . 1 1 6 6 PHE H H 6 8.714 8.714 8.056 0.658 17952 14 1 1 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.454 -0.218 17952 15 1 1 . 1 1 7 7 PRO CA C 7 63.736 63.736 63.761 -0.025 17952 16 1 1 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.474 0.928 17952 17 1 1 . 1 1 8 8 ARG N N 8 124.351 124.351 118.074 6.277 17952 18 1 1 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.283 -0.499 17952 19 1 1 . 1 1 8 8 ARG CA C 8 59.972 59.972 57.679 2.293 17952 20 1 1 . 1 1 8 8 ARG CB C 8 30.256 30.256 28.886 1.371 17952 21 1 1 . 1 1 8 8 ARG H H 8 8.650 8.650 8.798 -0.148 17952 22 1 1 . 1 1 9 9 GLU N N 9 117.015 117.015 119.714 -2.699 17952 23 1 1 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.229 0.012 17952 24 1 1 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.142 0.394 17952 25 1 1 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.089 -0.803 17952 26 1 1 . 1 1 9 9 GLU H H 9 9.522 9.522 7.770 1.752 17952 27 1 1 . 1 1 10 10 LEU N N 10 116.269 116.269 119.376 -3.107 17952 28 1 1 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.339 0.343 17952 29 1 1 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.104 -0.780 17952 30 1 1 . 1 1 10 10 LEU CB C 10 42.305 42.305 41.901 0.404 17952 31 1 1 . 1 1 10 10 LEU H H 10 7.285 7.285 7.501 -0.216 17952 32 1 1 . 1 1 11 11 ARG N N 11 116.982 116.982 120.106 -3.124 17952 33 1 1 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.480 0.565 17952 34 1 1 . 1 1 11 11 ARG CA C 11 55.671 55.671 54.051 1.620 17952 35 1 1 . 1 1 11 11 ARG CB C 11 32.827 32.827 32.272 0.555 17952 36 1 1 . 1 1 11 11 ARG H H 11 7.618 7.618 7.391 0.227 17952 37 1 1 . 1 1 12 12 LEU N N 12 119.127 119.127 124.556 -5.429 17952 38 1 1 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.252 0.077 17952 39 1 1 . 1 1 12 12 LEU CA C 12 54.115 54.115 55.257 -1.141 17952 40 1 1 . 1 1 12 12 LEU CB C 12 41.683 41.683 40.668 1.015 17952 41 1 1 . 1 1 12 12 LEU H H 12 7.289 7.289 8.413 -1.124 17952 42 1 1 . 1 1 13 13 LEU N N 13 123.181 123.181 123.687 -0.506 17952 43 1 1 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.790 -0.043 17952 44 1 1 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.250 1.940 17952 45 1 1 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.767 3.467 17952 46 1 1 . 1 1 13 13 LEU H H 13 8.816 8.816 8.040 0.775 17952 47 1 1 . 1 1 14 14 THR N N 14 111.810 111.810 111.518 0.292 17952 48 1 1 . 1 1 14 14 THR HA H 14 5.104 5.104 4.601 0.503 17952 49 1 1 . 1 1 14 14 THR H H 14 8.321 8.321 8.017 0.304 17952 50 1 1 . 1 1 16 16 SER HA H 16 4.282 4.282 4.570 -0.288 17952 51 1 1 . 1 1 16 16 SER CB C 16 62.228 62.228 62.918 -0.690 17952 52 1 1 . 1 1 17 17 GLN N N 17 122.336 122.336 127.021 -4.685 17952 53 1 1 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.167 -0.089 17952 54 1 1 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.823 -0.701 17952 55 1 1 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.301 0.802 17952 56 1 1 . 1 1 17 17 GLN H H 17 7.967 7.967 8.412 -0.445 17952 57 1 1 . 1 1 18 18 PHE N N 18 119.658 119.658 119.506 0.152 17952 58 1 1 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.383 0.257 17952 59 1 1 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.343 0.147 17952 60 1 1 . 1 1 18 18 PHE H H 18 7.733 7.733 8.615 -0.882 17952 61 1 1 . 1 1 19 19 THR N N 19 116.141 116.141 115.784 0.357 17952 62 1 1 . 1 1 19 19 THR HA H 19 3.911 3.911 4.023 -0.112 17952 63 1 1 . 1 1 19 19 THR CA C 19 67.058 67.058 66.667 0.391 17952 64 1 1 . 1 1 19 19 THR CB C 19 68.790 68.790 68.522 0.268 17952 65 1 1 . 1 1 19 19 THR H H 19 8.622 8.622 8.123 0.499 17952 66 1 1 . 1 1 20 20 PHE N N 20 119.904 119.904 123.094 -3.190 17952 67 1 1 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.167 -0.018 17952 68 1 1 . 1 1 20 20 PHE CB C 20 39.260 39.260 38.935 0.325 17952 69 1 1 . 1 1 20 20 PHE H H 20 7.728 7.728 8.525 -0.797 17952 70 1 1 . 1 1 21 21 VAL N N 21 117.896 117.896 118.808 -0.912 17952 71 1 1 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.582 -0.500 17952 72 1 1 . 1 1 21 21 VAL CA C 21 66.336 66.336 65.264 1.072 17952 73 1 1 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.415 0.174 17952 74 1 1 . 1 1 21 21 VAL H H 21 6.861 6.861 8.323 -1.462 17952 75 1 1 . 1 1 22 22 PHE N N 22 114.352 114.352 118.211 -3.859 17952 76 1 1 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.086 -0.075 17952 77 1 1 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.192 -0.607 17952 78 1 1 . 1 1 22 22 PHE H H 22 7.653 7.653 7.415 0.238 17952 79 1 1 . 1 1 23 23 GLN N N 23 116.245 116.245 117.462 -1.217 17952 80 1 1 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.044 -0.011 17952 81 1 1 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.602 0.813 17952 82 1 1 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.250 -0.300 17952 83 1 1 . 1 1 23 23 GLN H H 23 7.928 7.928 7.685 0.243 17952 84 1 1 . 1 1 24 24 GLN N N 24 114.087 114.087 118.026 -3.939 17952 85 1 1 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.707 -0.282 17952 86 1 1 . 1 1 24 24 GLN CA C 24 54.691 54.691 52.922 1.770 17952 87 1 1 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.381 -0.924 17952 88 1 1 . 1 1 24 24 GLN H H 24 6.731 6.731 7.513 -0.782 17952 89 1 1 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.927 0.101 17952 90 1 1 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.806 1.373 17952 91 1 1 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.100 -0.523 17952 92 1 1 . 1 1 26 26 GLN N N 26 120.107 120.107 123.623 -3.516 17952 93 1 1 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.380 0.899 17952 94 1 1 . 1 1 26 26 GLN CB C 26 30.556 30.556 28.235 2.321 17952 95 1 1 . 1 1 26 26 GLN H H 26 9.622 9.622 8.422 1.200 17952 96 1 1 . 1 1 27 27 ARG N N 27 125.712 125.712 127.334 -1.622 17952 97 1 1 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.236 0.984 17952 98 1 1 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.819 0.306 17952 99 1 1 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.174 4.467 17952 100 1 1 . 1 1 27 27 ARG H H 27 9.068 9.068 8.450 0.618 17952 101 1 1 . 1 1 28 28 ALA N N 28 123.402 123.402 130.901 -7.499 17952 102 1 1 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.635 -0.121 17952 103 1 1 . 1 1 28 28 ALA CB C 28 21.919 21.919 20.766 1.153 17952 104 1 1 . 1 1 28 28 ALA H H 28 8.102 8.102 8.413 -0.311 17952 105 1 1 . 1 1 29 29 GLY N N 29 109.532 109.532 109.170 0.362 17952 106 1 1 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.184 1.700 17952 107 1 1 . 1 1 29 29 GLY H H 29 8.572 8.572 7.813 0.759 17952 108 1 1 . 1 1 30 30 THR N N 30 113.168 113.168 116.626 -3.458 17952 109 1 1 . 1 1 30 30 THR HA H 30 4.953 4.953 4.559 0.394 17952 110 1 1 . 1 1 30 30 THR H H 30 9.199 9.199 8.265 0.934 17952 111 1 1 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.219 0.078 17952 112 1 1 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.210 0.301 17952 113 1 1 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.904 -0.921 17952 114 1 1 . 1 1 32 32 GLN N N 32 110.281 110.281 113.093 -2.812 17952 115 1 1 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.341 -0.146 17952 116 1 1 . 1 1 32 32 GLN CA C 32 58.478 58.478 55.662 2.816 17952 117 1 1 . 1 1 32 32 GLN CB C 32 28.996 28.996 28.945 0.051 17952 118 1 1 . 1 1 32 32 GLN H H 32 7.403 7.403 7.953 -0.550 17952 119 1 1 . 1 1 33 33 ILE N N 33 118.254 118.254 120.371 -2.117 17952 120 1 1 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.883 -0.643 17952 121 1 1 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.950 2.841 17952 122 1 1 . 1 1 33 33 ILE H H 33 7.353 7.353 8.033 -0.680 17952 123 1 1 . 1 1 34 34 THR N N 34 122.650 122.650 126.083 -3.433 17952 124 1 1 . 1 1 34 34 THR HA H 34 4.946 4.946 4.638 0.308 17952 125 1 1 . 1 1 34 34 THR CA C 34 61.792 61.792 61.999 -0.207 17952 126 1 1 . 1 1 34 34 THR CB C 34 71.752 71.752 68.886 2.866 17952 127 1 1 . 1 1 34 34 THR H H 34 8.787 8.787 8.798 -0.011 17952 128 1 1 . 1 1 35 35 ILE N N 35 123.778 123.778 129.665 -5.887 17952 129 1 1 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.314 0.847 17952 130 1 1 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.933 0.780 17952 131 1 1 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.740 2.303 17952 132 1 1 . 1 1 35 35 ILE H H 35 9.109 9.109 8.474 0.635 17952 133 1 1 . 1 1 36 36 LEU N N 36 132.558 132.558 128.435 4.123 17952 134 1 1 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.883 0.751 17952 135 1 1 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.621 -0.377 17952 136 1 1 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.746 1.752 17952 137 1 1 . 1 1 36 36 LEU H H 36 9.500 9.500 7.930 1.570 17952 138 1 1 . 1 1 37 37 GLY N N 37 106.940 106.940 107.876 -0.936 17952 139 1 1 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.804 0.454 17952 140 1 1 . 1 1 37 37 GLY H H 37 9.058 9.058 7.971 1.087 17952 141 1 1 . 1 1 38 38 ARG N N 38 121.378 121.378 126.843 -5.465 17952 142 1 1 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.694 -0.042 17952 143 1 1 . 1 1 38 38 ARG CA C 38 56.285 56.285 53.392 2.893 17952 144 1 1 . 1 1 38 38 ARG CB C 38 35.176 35.176 31.178 3.998 17952 145 1 1 . 1 1 38 38 ARG H H 38 8.384 8.384 7.937 0.447 17952 146 1 1 . 1 1 39 39 LEU N N 39 129.596 129.596 127.869 1.727 17952 147 1 1 . 1 1 39 39 LEU CB C 39 42.472 42.472 39.604 2.868 17952 148 1 1 . 1 1 39 39 LEU H H 39 9.030 9.030 8.555 0.475 17952 149 1 1 . 1 1 40 40 ASN N N 40 119.921 119.921 123.123 -3.202 17952 150 1 1 . 1 1 40 40 ASN CA C 40 51.546 51.546 53.195 -1.649 17952 151 1 1 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.012 0.076 17952 152 1 1 . 1 1 40 40 ASN H H 40 8.186 8.186 7.873 0.313 17952 153 1 1 . 1 1 41 41 SER N N 41 112.600 112.600 122.188 -9.588 17952 154 1 1 . 1 1 41 41 SER HA H 41 4.484 4.484 4.532 -0.048 17952 155 1 1 . 1 1 41 41 SER CB C 41 62.949 62.949 62.892 0.057 17952 156 1 1 . 1 1 41 41 SER H H 41 8.646 8.646 8.664 -0.018 17952 157 1 1 . 1 1 42 42 LEU N N 42 120.612 120.612 128.205 -7.593 17952 158 1 1 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.551 -0.217 17952 159 1 1 . 1 1 42 42 LEU CA C 42 54.828 54.828 54.615 0.213 17952 160 1 1 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.805 0.908 17952 161 1 1 . 1 1 42 42 LEU H H 42 8.538 8.538 8.206 0.332 17952 162 1 1 . 1 1 43 43 GLY N N 43 105.922 105.922 107.087 -1.165 17952 163 1 1 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.080 0.191 17952 164 1 1 . 1 1 43 43 GLY H H 43 8.317 8.317 7.796 0.521 17952 165 1 1 . 1 1 44 44 HIS N N 44 114.144 114.144 121.184 -7.040 17952 166 1 1 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.966 0.099 17952 167 1 1 . 1 1 44 44 HIS H H 44 7.145 7.145 8.220 -1.075 17952 168 1 1 . 1 1 45 45 PRO HA H 45 5.403 5.403 5.276 0.127 17952 169 1 1 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.269 0.292 17952 170 1 1 . 1 1 45 45 PRO CB C 45 33.097 33.097 32.550 0.548 17952 171 1 1 . 1 1 46 46 ARG N N 46 116.294 116.294 124.728 -8.434 17952 172 1 1 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.869 0.287 17952 173 1 1 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.437 1.717 17952 174 1 1 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.637 4.333 17952 175 1 1 . 1 1 46 46 ARG H H 46 8.919 8.919 8.250 0.669 17952 176 1 1 . 1 1 47 47 ILE N N 47 117.069 117.069 123.956 -6.887 17952 177 1 1 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.686 0.998 17952 178 1 1 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.567 -0.747 17952 179 1 1 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.328 2.384 17952 180 1 1 . 1 1 47 47 ILE H H 47 9.106 9.106 8.829 0.277 17952 181 1 1 . 1 1 48 48 GLY N N 48 116.903 116.903 118.610 -1.707 17952 182 1 1 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.043 0.486 17952 183 1 1 . 1 1 48 48 GLY H H 48 9.276 9.276 8.924 0.352 17952 184 1 1 . 1 1 49 49 LEU N N 49 123.729 123.729 126.235 -2.506 17952 185 1 1 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.824 0.617 17952 186 1 1 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.168 -0.806 17952 187 1 1 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.300 3.245 17952 188 1 1 . 1 1 49 49 LEU H H 49 8.957 8.957 7.648 1.309 17952 189 1 1 . 1 1 50 50 THR N N 50 120.870 120.870 125.161 -4.291 17952 190 1 1 . 1 1 50 50 THR HA H 50 4.616 4.616 4.707 -0.091 17952 191 1 1 . 1 1 50 50 THR H H 50 9.419 9.419 9.150 0.269 17952 192 1 1 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.378 -0.022 17952 193 1 1 . 1 1 51 51 VAL CA C 51 60.110 60.110 59.773 0.337 17952 194 1 1 . 1 1 51 51 VAL CB C 51 32.291 32.291 34.491 -2.200 17952 195 1 1 . 1 1 52 52 ALA N N 52 129.415 129.415 129.103 0.312 17952 196 1 1 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.096 -1.784 17952 197 1 1 . 1 1 52 52 ALA H H 52 9.046 9.046 8.711 0.335 17952 198 1 1 . 1 1 53 53 LYS N N 53 125.023 125.023 120.812 4.211 17952 199 1 1 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.079 0.010 17952 200 1 1 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.522 0.213 17952 201 1 1 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.666 -0.570 17952 202 1 1 . 1 1 53 53 LYS H H 53 8.811 8.811 8.824 -0.013 17952 203 1 1 . 1 1 54 54 LYS N N 54 114.126 114.126 113.829 0.297 17952 204 1 1 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.214 -0.173 17952 205 1 1 . 1 1 54 54 LYS CA C 54 57.953 57.953 58.120 -0.167 17952 206 1 1 . 1 1 54 54 LYS CB C 54 31.930 31.930 31.994 -0.064 17952 207 1 1 . 1 1 54 54 LYS H H 54 8.073 8.073 8.255 -0.182 17952 208 1 1 . 1 1 55 55 ASN N N 55 115.234 115.234 117.988 -2.754 17952 209 1 1 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.725 0.133 17952 210 1 1 . 1 1 55 55 ASN CA C 55 53.777 53.777 55.063 -1.286 17952 211 1 1 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.090 -0.561 17952 212 1 1 . 1 1 55 55 ASN H H 55 7.434 7.434 7.666 -0.232 17952 213 1 1 . 1 1 56 56 VAL N N 56 121.000 121.000 120.399 0.601 17952 214 1 1 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.295 -0.122 17952 215 1 1 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.619 0.142 17952 216 1 1 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.985 1.048 17952 217 1 1 . 1 1 56 56 VAL H H 56 7.764 7.764 7.916 -0.152 17952 218 1 1 . 1 1 57 57 ARG N N 57 125.781 125.781 126.621 -0.840 17952 219 1 1 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.433 -0.233 17952 220 1 1 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.538 2.108 17952 221 1 1 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.467 0.537 17952 222 1 1 . 1 1 57 57 ARG H H 57 8.441 8.441 8.547 -0.106 17952 223 1 1 . 1 1 58 58 ARG N N 58 118.159 118.159 119.876 -1.717 17952 224 1 1 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.347 0.247 17952 225 1 1 . 1 1 58 58 ARG H H 58 8.250 8.250 8.029 0.221 17952 226 1 1 . 1 1 60 60 HIS N N 60 116.957 116.957 115.593 1.364 17952 227 1 1 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.365 0.070 17952 228 1 1 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.266 1.339 17952 229 1 1 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.701 0.246 17952 230 1 1 . 1 1 60 60 HIS H H 60 7.600 7.600 8.358 -0.758 17952 231 1 1 . 1 1 61 61 GLU N N 61 119.542 119.542 118.698 0.844 17952 232 1 1 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.226 0.203 17952 233 1 1 . 1 1 61 61 GLU CA C 61 57.628 57.628 57.683 -0.055 17952 234 1 1 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.549 1.256 17952 235 1 1 . 1 1 61 61 GLU H H 61 6.702 6.702 7.824 -1.122 17952 236 1 1 . 1 1 62 62 ARG N N 62 120.227 120.227 120.863 -0.636 17952 237 1 1 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.011 -0.278 17952 238 1 1 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.903 1.628 17952 239 1 1 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.159 -0.547 17952 240 1 1 . 1 1 62 62 ARG H H 62 7.951 7.951 7.806 0.144 17952 241 1 1 . 1 1 63 63 ASN N N 63 116.757 116.757 117.379 -0.622 17952 242 1 1 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.518 -0.084 17952 243 1 1 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.855 0.353 17952 244 1 1 . 1 1 63 63 ASN CB C 63 37.825 37.825 37.872 -0.047 17952 245 1 1 . 1 1 63 63 ASN H H 63 8.365 8.365 7.907 0.458 17952 246 1 1 . 1 1 64 64 ARG N N 64 123.093 123.093 121.469 1.624 17952 247 1 1 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.129 -0.073 17952 248 1 1 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.081 1.058 17952 249 1 1 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.857 0.976 17952 250 1 1 . 1 1 64 64 ARG H H 64 7.770 7.770 7.517 0.253 17952 251 1 1 . 1 1 65 65 ILE N N 65 117.911 117.911 119.721 -1.810 17952 252 1 1 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.775 -0.250 17952 253 1 1 . 1 1 65 65 ILE CA C 65 64.715 64.715 64.093 0.622 17952 254 1 1 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.962 0.683 17952 255 1 1 . 1 1 65 65 ILE H H 65 8.121 8.121 8.293 -0.172 17952 256 1 1 . 1 1 66 66 LYS N N 66 122.635 122.635 119.988 2.647 17952 257 1 1 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.170 -0.399 17952 258 1 1 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.194 1.741 17952 259 1 1 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.225 0.199 17952 260 1 1 . 1 1 66 66 LYS H H 66 8.337 8.337 7.789 0.548 17952 261 1 1 . 1 1 67 67 ARG N N 67 119.137 119.137 120.844 -1.707 17952 262 1 1 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.027 -0.019 17952 263 1 1 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.513 0.476 17952 264 1 1 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.211 -0.176 17952 265 1 1 . 1 1 67 67 ARG H H 67 8.257 8.257 8.092 0.165 17952 266 1 1 . 1 1 68 68 LEU N N 68 119.084 119.084 119.433 -0.349 17952 267 1 1 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.094 0.014 17952 268 1 1 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.426 -0.404 17952 269 1 1 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.170 0.432 17952 270 1 1 . 1 1 68 68 LEU H H 68 8.427 8.427 8.459 -0.032 17952 271 1 1 . 1 1 69 69 THR N N 69 118.019 118.019 112.541 5.478 17952 272 1 1 . 1 1 69 69 THR CA C 69 67.701 67.701 66.274 1.427 17952 273 1 1 . 1 1 69 69 THR H H 69 8.433 8.433 8.232 0.201 17952 274 1 1 . 1 1 70 70 ARG N N 70 122.713 122.713 121.883 0.830 17952 275 1 1 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.271 2.139 17952 276 1 1 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.331 -0.281 17952 277 1 1 . 1 1 70 70 ARG H H 70 8.346 8.346 7.794 0.552 17952 278 1 1 . 1 1 71 71 GLU N N 71 118.890 118.890 117.684 1.206 17952 279 1 1 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.147 0.119 17952 280 1 1 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.013 0.468 17952 281 1 1 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.408 -0.092 17952 282 1 1 . 1 1 71 71 GLU H H 71 8.334 8.334 8.458 -0.124 17952 283 1 1 . 1 1 72 72 SER N N 72 114.922 114.922 115.364 -0.442 17952 284 1 1 . 1 1 72 72 SER HA H 72 4.243 4.243 4.218 0.025 17952 285 1 1 . 1 1 72 72 SER CA C 72 61.292 61.292 61.873 -0.582 17952 286 1 1 . 1 1 72 72 SER CB C 72 63.065 63.065 63.363 -0.298 17952 287 1 1 . 1 1 72 72 SER H H 72 8.205 8.205 7.466 0.739 17952 288 1 1 . 1 1 73 73 PHE N N 73 122.665 122.665 120.052 2.613 17952 289 1 1 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.275 -1.166 17952 290 1 1 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.788 0.748 17952 291 1 1 . 1 1 73 73 PHE H H 73 7.788 7.788 8.290 -0.502 17952 292 1 1 . 1 1 74 74 ARG N N 74 119.417 119.417 117.985 1.432 17952 293 1 1 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.269 -0.372 17952 294 1 1 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.880 1.321 17952 295 1 1 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.032 -0.051 17952 296 1 1 . 1 1 74 74 ARG H H 74 8.580 8.580 7.656 0.924 17952 297 1 1 . 1 1 75 75 LEU N N 75 117.144 117.144 118.545 -1.401 17952 298 1 1 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.421 -0.325 17952 299 1 1 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.215 2.002 17952 300 1 1 . 1 1 75 75 LEU CB C 75 42.788 42.788 43.236 -0.449 17952 301 1 1 . 1 1 75 75 LEU H H 75 7.903 7.903 7.458 0.445 17952 302 1 1 . 1 1 76 76 ARG N N 76 113.888 113.888 119.123 -5.235 17952 303 1 1 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.533 -0.110 17952 304 1 1 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.069 0.418 17952 305 1 1 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.072 2.795 17952 306 1 1 . 1 1 76 76 ARG H H 76 6.736 6.736 7.849 -1.113 17952 307 1 1 . 1 1 77 77 GLN N N 77 120.009 120.009 117.998 2.011 17952 308 1 1 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.570 2.686 17952 309 1 1 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.103 0.485 17952 310 1 1 . 1 1 77 77 GLN H H 77 7.273 7.273 7.509 -0.236 17952 311 1 1 . 1 1 78 78 HIS N N 78 114.954 114.954 114.927 0.027 17952 312 1 1 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.434 0.011 17952 313 1 1 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.709 0.091 17952 314 1 1 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.946 -0.544 17952 315 1 1 . 1 1 78 78 HIS H H 78 8.389 8.389 8.133 0.256 17952 316 1 1 . 1 1 79 79 GLU N N 79 118.231 118.231 117.200 1.031 17952 317 1 1 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.373 0.034 17952 318 1 1 . 1 1 79 79 GLU CA C 79 55.392 55.392 57.174 -1.782 17952 319 1 1 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.489 0.807 17952 320 1 1 . 1 1 79 79 GLU H H 79 7.717 7.717 7.890 -0.173 17952 321 1 1 . 1 1 80 80 LEU N N 80 119.751 119.751 118.467 1.284 17952 322 1 1 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.517 0.037 17952 323 1 1 . 1 1 80 80 LEU H H 80 6.859 6.859 7.417 -0.558 17952 324 1 1 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.651 -0.080 17952 325 1 1 . 1 1 81 81 PRO CA C 81 61.725 61.725 61.514 0.211 17952 326 1 1 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.614 -0.282 17952 327 1 1 . 1 1 82 82 ALA N N 82 122.525 122.525 123.968 -1.443 17952 328 1 1 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.514 -0.756 17952 329 1 1 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.674 -1.766 17952 330 1 1 . 1 1 82 82 ALA H H 82 8.425 8.425 8.580 -0.155 17952 331 1 1 . 1 1 83 83 MET N N 83 122.963 122.963 118.926 4.037 17952 332 1 1 . 1 1 83 83 MET HA H 83 4.387 4.387 5.220 -0.833 17952 333 1 1 . 1 1 83 83 MET CA C 83 54.002 54.002 54.079 -0.077 17952 334 1 1 . 1 1 83 83 MET CB C 83 35.655 35.655 37.516 -1.861 17952 335 1 1 . 1 1 83 83 MET H H 83 7.851 7.851 7.951 -0.100 17952 336 1 1 . 1 1 84 84 ASP N N 84 121.733 121.733 120.289 1.444 17952 337 1 1 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.809 -0.057 17952 338 1 1 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.757 -0.119 17952 339 1 1 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.350 -0.360 17952 340 1 1 . 1 1 84 84 ASP H H 84 8.393 8.393 8.455 -0.062 17952 341 1 1 . 1 1 85 85 PHE N N 85 121.368 121.368 124.844 -3.476 17952 342 1 1 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.854 1.102 17952 343 1 1 . 1 1 85 85 PHE CB C 85 42.080 42.080 40.327 1.753 17952 344 1 1 . 1 1 85 85 PHE H H 85 8.849 8.849 8.400 0.449 17952 345 1 1 . 1 1 86 86 VAL N N 86 120.431 120.431 125.688 -5.257 17952 346 1 1 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.199 0.417 17952 347 1 1 . 1 1 86 86 VAL CA C 86 60.874 60.874 62.379 -1.505 17952 348 1 1 . 1 1 86 86 VAL CB C 86 34.882 34.882 32.025 2.857 17952 349 1 1 . 1 1 86 86 VAL H H 86 9.407 9.407 8.697 0.710 17952 350 1 1 . 1 1 87 87 VAL N N 87 127.860 127.860 129.408 -1.548 17952 351 1 1 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.325 0.292 17952 352 1 1 . 1 1 87 87 VAL CA C 87 61.420 61.420 62.253 -0.833 17952 353 1 1 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.030 -0.908 17952 354 1 1 . 1 1 87 87 VAL H H 87 8.843 8.843 8.113 0.730 17952 355 1 1 . 1 1 88 88 VAL N N 88 128.150 128.150 127.887 0.263 17952 356 1 1 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.889 -0.234 17952 357 1 1 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.025 1.240 17952 358 1 1 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.365 1.074 17952 359 1 1 . 1 1 88 88 VAL H H 88 9.538 9.538 9.075 0.463 17952 360 1 1 . 1 1 89 89 ALA N N 89 128.337 128.337 132.804 -4.467 17952 361 1 1 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.326 0.278 17952 362 1 1 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.205 1.666 17952 363 1 1 . 1 1 89 89 ALA H H 89 8.170 8.170 8.322 -0.151 17952 364 1 1 . 1 1 90 90 LYS N N 90 123.110 123.110 124.425 -1.315 17952 365 1 1 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.399 0.078 17952 366 1 1 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.993 0.117 17952 367 1 1 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.492 -0.037 17952 368 1 1 . 1 1 90 90 LYS H H 90 8.231 8.231 7.892 0.339 17952 369 1 1 . 1 1 91 91 LYS N N 91 119.291 119.291 121.151 -1.860 17952 370 1 1 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.319 -0.271 17952 371 1 1 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.117 2.054 17952 372 1 1 . 1 1 91 91 LYS CB C 91 32.219 32.219 30.777 1.442 17952 373 1 1 . 1 1 91 91 LYS H H 91 8.162 8.162 8.663 -0.501 17952 374 1 1 . 1 1 92 92 GLY N N 92 112.991 112.991 113.324 -0.333 17952 375 1 1 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.428 -0.292 17952 376 1 1 . 1 1 92 92 GLY H H 92 8.783 8.783 8.248 0.535 17952 377 1 1 . 1 1 93 93 VAL N N 93 122.937 122.937 123.195 -0.258 17952 378 1 1 . 1 1 93 93 VAL HA H 93 3.730 3.730 4.264 -0.534 17952 379 1 1 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.387 0.524 17952 380 1 1 . 1 1 93 93 VAL CB C 93 29.998 29.998 32.121 -2.123 17952 381 1 1 . 1 1 93 93 VAL H H 93 8.363 8.363 7.446 0.917 17952 382 1 1 . 1 1 94 94 ALA N N 94 119.882 119.882 118.625 1.257 17952 383 1 1 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.299 -0.203 17952 384 1 1 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.392 0.277 17952 385 1 1 . 1 1 94 94 ALA H H 94 7.960 7.960 8.214 -0.254 17952 386 1 1 . 1 1 95 95 ASP N N 95 114.705 114.705 118.771 -4.066 17952 387 1 1 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.662 -0.170 17952 388 1 1 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.305 0.556 17952 389 1 1 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.589 -0.706 17952 390 1 1 . 1 1 95 95 ASP H H 95 7.360 7.360 7.755 -0.395 17952 391 1 1 . 1 1 96 96 LEU N N 96 120.424 120.424 120.515 -0.091 17952 392 1 1 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.416 0.042 17952 393 1 1 . 1 1 96 96 LEU CA C 96 54.357 54.357 54.458 -0.101 17952 394 1 1 . 1 1 96 96 LEU CB C 96 42.433 42.433 42.707 -0.274 17952 395 1 1 . 1 1 96 96 LEU H H 96 7.389 7.389 7.441 -0.052 17952 396 1 1 . 1 1 97 97 ASP N N 97 123.018 123.018 120.032 2.986 17952 397 1 1 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.658 -0.128 17952 398 1 1 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.116 -0.281 17952 399 1 1 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.281 -2.779 17952 400 1 1 . 1 1 97 97 ASP H H 97 8.473 8.473 8.194 0.279 17952 401 1 1 . 1 1 98 98 ASN N N 98 117.692 117.692 120.868 -3.176 17952 402 1 1 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.424 -0.288 17952 403 1 1 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.772 1.093 17952 404 1 1 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.617 -1.677 17952 405 1 1 . 1 1 98 98 ASN H H 98 8.651 8.651 8.766 -0.115 17952 406 1 1 . 1 1 99 99 ARG N N 99 120.819 120.819 119.765 1.054 17952 407 1 1 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.060 -0.007 17952 408 1 1 . 1 1 99 99 ARG CA C 99 59.498 59.498 59.465 0.034 17952 409 1 1 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.363 -1.046 17952 410 1 1 . 1 1 99 99 ARG H H 99 8.191 8.191 9.049 -0.858 17952 411 1 1 . 1 1 100 100 ALA N N 100 122.928 122.928 121.561 1.367 17952 412 1 1 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.162 -0.011 17952 413 1 1 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.422 0.627 17952 414 1 1 . 1 1 100 100 ALA CB C 100 18.997 18.997 17.970 1.027 17952 415 1 1 . 1 1 100 100 ALA H H 100 8.524 8.524 7.904 0.620 17952 416 1 1 . 1 1 101 101 LEU N N 101 120.795 120.795 118.166 2.629 17952 417 1 1 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.911 0.187 17952 418 1 1 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.707 0.528 17952 419 1 1 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.647 -0.138 17952 420 1 1 . 1 1 101 101 LEU H H 101 8.961 8.961 8.116 0.845 17952 421 1 1 . 1 1 102 102 SER N N 102 115.314 115.314 113.180 2.134 17952 422 1 1 . 1 1 102 102 SER HA H 102 4.123 4.123 4.212 -0.089 17952 423 1 1 . 1 1 102 102 SER CB C 102 62.761 62.761 62.574 0.187 17952 424 1 1 . 1 1 102 102 SER H H 102 8.459 8.459 7.772 0.687 17952 425 1 1 . 1 1 103 103 GLU N N 103 122.468 122.468 120.679 1.789 17952 426 1 1 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.164 -0.034 17952 427 1 1 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.640 0.828 17952 428 1 1 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.360 0.168 17952 429 1 1 . 1 1 103 103 GLU H H 103 8.492 8.492 7.706 0.786 17952 430 1 1 . 1 1 104 104 ALA N N 104 123.159 123.159 120.487 2.672 17952 431 1 1 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.423 -0.333 17952 432 1 1 . 1 1 104 104 ALA CA C 104 55.242 55.242 53.732 1.510 17952 433 1 1 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.928 -1.101 17952 434 1 1 . 1 1 104 104 ALA H H 104 8.074 8.074 7.854 0.220 17952 435 1 1 . 1 1 105 105 LEU N N 105 116.602 116.602 121.167 -4.565 17952 436 1 1 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.048 -0.496 17952 437 1 1 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.952 0.452 17952 438 1 1 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.978 -0.359 17952 439 1 1 . 1 1 105 105 LEU H H 105 8.318 8.318 7.263 1.055 17952 440 1 1 . 1 1 106 106 GLU N N 106 117.564 117.564 118.100 -0.536 17952 441 1 1 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.238 -0.006 17952 442 1 1 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.512 0.904 17952 443 1 1 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.762 0.163 17952 444 1 1 . 1 1 106 106 GLU H H 106 8.009 8.009 8.124 -0.115 17952 445 1 1 . 1 1 107 107 LYS N N 107 117.286 117.286 119.791 -2.505 17952 446 1 1 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.170 -0.196 17952 447 1 1 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.648 1.259 17952 448 1 1 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.903 0.478 17952 449 1 1 . 1 1 107 107 LYS H H 107 7.787 7.787 7.959 -0.172 17952 450 1 1 . 1 1 108 108 LEU N N 108 120.504 120.504 117.112 3.392 17952 451 1 1 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.294 -0.315 17952 452 1 1 . 1 1 108 108 LEU CA C 108 57.817 57.817 58.031 -0.214 17952 453 1 1 . 1 1 108 108 LEU CB C 108 42.300 42.300 40.995 1.305 17952 454 1 1 . 1 1 108 108 LEU H H 108 7.875 7.875 7.793 0.082 17952 455 1 1 . 1 1 109 109 TRP N N 109 120.547 120.547 122.720 -2.173 17952 456 1 1 . 1 1 109 109 TRP CA C 109 59.887 59.887 62.427 -2.540 17952 457 1 1 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.352 1.411 17952 458 1 1 . 1 1 109 109 TRP H H 109 9.048 9.048 8.572 0.476 17952 459 1 1 . 1 1 110 110 ARG N N 110 117.678 117.678 119.149 -1.471 17952 460 1 1 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.341 0.733 17952 461 1 1 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.383 0.860 17952 462 1 1 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.956 -0.315 17952 463 1 1 . 1 1 110 110 ARG H H 110 8.425 8.425 8.133 0.292 17952 464 1 1 . 1 1 111 111 ARG N N 111 121.156 121.156 119.059 2.097 17952 465 1 1 . 1 1 111 111 ARG HA H 111 4.175 4.175 3.967 0.208 17952 466 1 1 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.808 0.260 17952 467 1 1 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.722 -0.652 17952 468 1 1 . 1 1 111 111 ARG H H 111 8.100 8.100 7.913 0.187 17952 469 1 1 . 1 1 112 112 HIS N N 112 118.118 118.118 117.574 0.544 17952 470 1 1 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.403 -0.100 17952 471 1 1 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.111 2.424 17952 472 1 1 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.360 1.557 17952 473 1 1 . 1 1 112 112 HIS H H 112 8.250 8.250 8.106 0.144 17952 474 1 1 . 1 1 113 113 CYS N N 113 117.579 117.579 119.632 -2.053 17952 475 1 1 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.994 0.270 17952 476 1 1 . 1 1 113 113 CYS CA C 113 64.136 64.136 63.042 1.094 17952 477 1 1 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.327 -0.542 17952 478 1 1 . 1 1 113 113 CYS H H 113 8.181 8.181 8.474 -0.293 17952 479 1 1 . 1 1 114 114 ARG N N 114 120.172 120.172 119.798 0.374 17952 480 1 1 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.006 0.141 17952 481 1 1 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.688 0.362 17952 482 1 1 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.684 0.134 17952 483 1 1 . 1 1 114 114 ARG H H 114 7.870 7.870 7.944 -0.074 17952 484 1 1 . 1 1 115 115 LEU N N 115 120.720 120.720 118.552 2.168 17952 485 1 1 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.155 -0.038 17952 486 1 1 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.438 0.924 17952 487 1 1 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.813 0.089 17952 488 1 1 . 1 1 115 115 LEU H H 115 8.690 8.690 7.232 1.458 17952 489 1 1 . 1 1 116 116 ALA N N 116 119.118 119.118 119.350 -0.232 17952 490 1 1 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.209 0.158 17952 491 1 1 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.956 0.132 17952 492 1 1 . 1 1 116 116 ALA H H 116 7.751 7.751 7.869 -0.118 17952 493 1 1 . 1 1 117 117 ARG N N 117 117.010 117.010 117.808 -0.798 17952 494 1 1 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.332 0.056 17952 495 1 1 . 1 1 117 117 ARG CA C 117 57.046 57.046 56.544 0.502 17952 496 1 1 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.325 0.533 17952 497 1 1 . 1 1 117 117 ARG H H 117 7.602 7.602 7.789 -0.187 17952 498 1 1 . 1 1 118 118 GLY N N 118 108.836 108.836 108.181 0.655 17952 499 1 1 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.263 0.303 17952 500 1 1 . 1 1 118 118 GLY H H 118 8.087 8.087 7.510 0.577 17952 501 1 2 . 1 1 3 3 LYS CA C 3 56.191 56.191 56.437 -0.245 17952 502 1 2 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.032 -0.066 17952 503 1 2 . 1 1 4 4 LEU N N 4 125.667 125.667 121.253 4.414 17952 504 1 2 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.180 0.207 17952 505 1 2 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.276 -0.609 17952 506 1 2 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.908 0.710 17952 507 1 2 . 1 1 4 4 LEU H H 4 8.498 8.498 7.876 0.622 17952 508 1 2 . 1 1 5 5 ALA N N 5 126.419 126.419 120.277 6.142 17952 509 1 2 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.149 0.222 17952 510 1 2 . 1 1 5 5 ALA CB C 5 19.337 19.337 20.171 -0.834 17952 511 1 2 . 1 1 5 5 ALA H H 5 8.435 8.435 7.144 1.291 17952 512 1 2 . 1 1 6 6 PHE N N 6 124.718 124.718 119.301 5.417 17952 513 1 2 . 1 1 6 6 PHE H H 6 8.714 8.714 7.846 0.868 17952 514 1 2 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.159 0.077 17952 515 1 2 . 1 1 7 7 PRO CA C 7 63.736 63.736 66.052 -2.316 17952 516 1 2 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.801 0.601 17952 517 1 2 . 1 1 8 8 ARG N N 8 124.351 124.351 116.553 7.798 17952 518 1 2 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.236 -0.452 17952 519 1 2 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.607 1.365 17952 520 1 2 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.369 0.887 17952 521 1 2 . 1 1 8 8 ARG H H 8 8.650 8.650 8.641 0.009 17952 522 1 2 . 1 1 9 9 GLU N N 9 117.015 117.015 119.454 -2.439 17952 523 1 2 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.284 -0.043 17952 524 1 2 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.581 -0.045 17952 525 1 2 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.543 -1.257 17952 526 1 2 . 1 1 9 9 GLU H H 9 9.522 9.522 7.931 1.591 17952 527 1 2 . 1 1 10 10 LEU N N 10 116.269 116.269 120.518 -4.249 17952 528 1 2 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.141 0.541 17952 529 1 2 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.949 -2.625 17952 530 1 2 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.385 -0.080 17952 531 1 2 . 1 1 10 10 LEU H H 10 7.285 7.285 8.119 -0.834 17952 532 1 2 . 1 1 11 11 ARG N N 11 116.982 116.982 117.441 -0.459 17952 533 1 2 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.401 0.644 17952 534 1 2 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.926 -0.255 17952 535 1 2 . 1 1 11 11 ARG CB C 11 32.827 32.827 30.640 2.187 17952 536 1 2 . 1 1 11 11 ARG H H 11 7.618 7.618 7.559 0.059 17952 537 1 2 . 1 1 12 12 LEU N N 12 119.127 119.127 120.237 -1.110 17952 538 1 2 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.264 0.065 17952 539 1 2 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.759 -0.644 17952 540 1 2 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.885 -1.202 17952 541 1 2 . 1 1 12 12 LEU H H 12 7.289 7.289 7.328 -0.039 17952 542 1 2 . 1 1 13 13 LEU N N 13 123.181 123.181 118.587 4.594 17952 543 1 2 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.608 0.139 17952 544 1 2 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.075 1.115 17952 545 1 2 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.285 3.949 17952 546 1 2 . 1 1 13 13 LEU H H 13 8.816 8.816 8.030 0.786 17952 547 1 2 . 1 1 14 14 THR N N 14 111.810 111.810 108.849 2.961 17952 548 1 2 . 1 1 14 14 THR HA H 14 5.104 5.104 4.185 0.919 17952 549 1 2 . 1 1 14 14 THR H H 14 8.321 8.321 8.392 -0.071 17952 550 1 2 . 1 1 16 16 SER HA H 16 4.282 4.282 4.743 -0.461 17952 551 1 2 . 1 1 16 16 SER CB C 16 62.228 62.228 65.372 -3.144 17952 552 1 2 . 1 1 17 17 GLN N N 17 122.336 122.336 126.055 -3.719 17952 553 1 2 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.066 0.012 17952 554 1 2 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.957 -0.835 17952 555 1 2 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.461 0.642 17952 556 1 2 . 1 1 17 17 GLN H H 17 7.967 7.967 8.979 -1.012 17952 557 1 2 . 1 1 18 18 PHE N N 18 119.658 119.658 115.776 3.882 17952 558 1 2 . 1 1 18 18 PHE CA C 18 61.640 61.640 60.579 1.061 17952 559 1 2 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.666 -0.176 17952 560 1 2 . 1 1 18 18 PHE H H 18 7.733 7.733 7.705 0.028 17952 561 1 2 . 1 1 19 19 THR N N 19 116.141 116.141 114.944 1.197 17952 562 1 2 . 1 1 19 19 THR HA H 19 3.911 3.911 4.307 -0.396 17952 563 1 2 . 1 1 19 19 THR CA C 19 67.058 67.058 65.199 1.859 17952 564 1 2 . 1 1 19 19 THR CB C 19 68.790 68.790 69.280 -0.490 17952 565 1 2 . 1 1 19 19 THR H H 19 8.622 8.622 7.685 0.937 17952 566 1 2 . 1 1 20 20 PHE N N 20 119.904 119.904 123.934 -4.030 17952 567 1 2 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.366 -0.217 17952 568 1 2 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.223 0.037 17952 569 1 2 . 1 1 20 20 PHE H H 20 7.728 7.728 8.184 -0.456 17952 570 1 2 . 1 1 21 21 VAL N N 21 117.896 117.896 117.921 -0.025 17952 571 1 2 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.704 -0.622 17952 572 1 2 . 1 1 21 21 VAL CA C 21 66.336 66.336 63.805 2.531 17952 573 1 2 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.799 -0.210 17952 574 1 2 . 1 1 21 21 VAL H H 21 6.861 6.861 8.119 -1.258 17952 575 1 2 . 1 1 22 22 PHE N N 22 114.352 114.352 117.946 -3.594 17952 576 1 2 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.358 -0.347 17952 577 1 2 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.785 -1.200 17952 578 1 2 . 1 1 22 22 PHE H H 22 7.653 7.653 7.410 0.243 17952 579 1 2 . 1 1 23 23 GLN N N 23 116.245 116.245 117.983 -1.738 17952 580 1 2 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.956 0.077 17952 581 1 2 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.884 0.531 17952 582 1 2 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.032 -0.082 17952 583 1 2 . 1 1 23 23 GLN H H 23 7.928 7.928 7.484 0.444 17952 584 1 2 . 1 1 24 24 GLN N N 24 114.087 114.087 116.803 -2.716 17952 585 1 2 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.732 -0.307 17952 586 1 2 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.157 1.534 17952 587 1 2 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.579 -1.122 17952 588 1 2 . 1 1 24 24 GLN H H 24 6.731 6.731 8.199 -1.468 17952 589 1 2 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.663 0.365 17952 590 1 2 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.192 0.987 17952 591 1 2 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.163 -0.586 17952 592 1 2 . 1 1 26 26 GLN N N 26 120.107 120.107 121.179 -1.072 17952 593 1 2 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.432 0.847 17952 594 1 2 . 1 1 26 26 GLN CB C 26 30.556 30.556 28.262 2.294 17952 595 1 2 . 1 1 26 26 GLN H H 26 9.622 9.622 8.547 1.075 17952 596 1 2 . 1 1 27 27 ARG N N 27 125.712 125.712 127.833 -2.121 17952 597 1 2 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.226 0.995 17952 598 1 2 . 1 1 27 27 ARG CA C 27 56.125 56.125 56.333 -0.208 17952 599 1 2 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.084 4.557 17952 600 1 2 . 1 1 27 27 ARG H H 27 9.068 9.068 8.674 0.394 17952 601 1 2 . 1 1 28 28 ALA N N 28 123.402 123.402 129.263 -5.861 17952 602 1 2 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.819 -0.305 17952 603 1 2 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.874 0.045 17952 604 1 2 . 1 1 28 28 ALA H H 28 8.102 8.102 8.860 -0.758 17952 605 1 2 . 1 1 29 29 GLY N N 29 109.532 109.532 109.595 -0.063 17952 606 1 2 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.936 1.948 17952 607 1 2 . 1 1 29 29 GLY H H 29 8.572 8.572 8.567 0.005 17952 608 1 2 . 1 1 30 30 THR N N 30 113.168 113.168 112.370 0.798 17952 609 1 2 . 1 1 30 30 THR HA H 30 4.953 4.953 5.013 -0.060 17952 610 1 2 . 1 1 30 30 THR H H 30 9.199 9.199 8.340 0.859 17952 611 1 2 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.538 -0.241 17952 612 1 2 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.420 1.091 17952 613 1 2 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.898 -0.915 17952 614 1 2 . 1 1 32 32 GLN N N 32 110.281 110.281 117.069 -6.788 17952 615 1 2 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.395 -0.200 17952 616 1 2 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.407 2.071 17952 617 1 2 . 1 1 32 32 GLN CB C 32 28.996 28.996 30.240 -1.244 17952 618 1 2 . 1 1 32 32 GLN H H 32 7.403 7.403 7.519 -0.116 17952 619 1 2 . 1 1 33 33 ILE N N 33 118.254 118.254 119.495 -1.241 17952 620 1 2 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.569 0.672 17952 621 1 2 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.284 3.507 17952 622 1 2 . 1 1 33 33 ILE H H 33 7.353 7.353 7.834 -0.481 17952 623 1 2 . 1 1 34 34 THR N N 34 122.650 122.650 126.631 -3.981 17952 624 1 2 . 1 1 34 34 THR HA H 34 4.946 4.946 5.021 -0.075 17952 625 1 2 . 1 1 34 34 THR CA C 34 61.792 61.792 62.088 -0.296 17952 626 1 2 . 1 1 34 34 THR CB C 34 71.752 71.752 69.404 2.348 17952 627 1 2 . 1 1 34 34 THR H H 34 8.787 8.787 8.803 -0.016 17952 628 1 2 . 1 1 35 35 ILE N N 35 123.778 123.778 128.944 -5.166 17952 629 1 2 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.530 0.631 17952 630 1 2 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.952 0.761 17952 631 1 2 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.249 1.794 17952 632 1 2 . 1 1 35 35 ILE H H 35 9.109 9.109 9.303 -0.194 17952 633 1 2 . 1 1 36 36 LEU N N 36 132.558 132.558 129.405 3.153 17952 634 1 2 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.043 0.591 17952 635 1 2 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.674 -0.430 17952 636 1 2 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.581 1.917 17952 637 1 2 . 1 1 36 36 LEU H H 36 9.500 9.500 9.099 0.401 17952 638 1 2 . 1 1 37 37 GLY N N 37 106.940 106.940 110.428 -3.488 17952 639 1 2 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.213 1.045 17952 640 1 2 . 1 1 37 37 GLY H H 37 9.058 9.058 8.477 0.581 17952 641 1 2 . 1 1 38 38 ARG N N 38 121.378 121.378 123.345 -1.967 17952 642 1 2 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.670 -0.018 17952 643 1 2 . 1 1 38 38 ARG CA C 38 56.285 56.285 54.516 1.769 17952 644 1 2 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.363 1.813 17952 645 1 2 . 1 1 38 38 ARG H H 38 8.384 8.384 8.389 -0.005 17952 646 1 2 . 1 1 39 39 LEU N N 39 129.596 129.596 124.476 5.120 17952 647 1 2 . 1 1 39 39 LEU CB C 39 42.472 42.472 42.613 -0.141 17952 648 1 2 . 1 1 39 39 LEU H H 39 9.030 9.030 8.249 0.781 17952 649 1 2 . 1 1 40 40 ASN N N 40 119.921 119.921 124.218 -4.297 17952 650 1 2 . 1 1 40 40 ASN CA C 40 51.546 51.546 51.574 -0.028 17952 651 1 2 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.907 0.181 17952 652 1 2 . 1 1 40 40 ASN H H 40 8.186 8.186 8.374 -0.188 17952 653 1 2 . 1 1 41 41 SER N N 41 112.600 112.600 118.574 -5.974 17952 654 1 2 . 1 1 41 41 SER HA H 41 4.484 4.484 4.420 0.064 17952 655 1 2 . 1 1 41 41 SER CB C 41 62.949 62.949 61.742 1.207 17952 656 1 2 . 1 1 41 41 SER H H 41 8.646 8.646 8.692 -0.046 17952 657 1 2 . 1 1 42 42 LEU N N 42 120.612 120.612 119.481 1.131 17952 658 1 2 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.414 -0.080 17952 659 1 2 . 1 1 42 42 LEU CA C 42 54.828 54.828 54.509 0.319 17952 660 1 2 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.655 1.058 17952 661 1 2 . 1 1 42 42 LEU H H 42 8.538 8.538 7.517 1.021 17952 662 1 2 . 1 1 43 43 GLY N N 43 105.922 105.922 109.265 -3.343 17952 663 1 2 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.956 -0.685 17952 664 1 2 . 1 1 43 43 GLY H H 43 8.317 8.317 7.604 0.713 17952 665 1 2 . 1 1 44 44 HIS N N 44 114.144 114.144 120.599 -6.455 17952 666 1 2 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.776 0.289 17952 667 1 2 . 1 1 44 44 HIS H H 44 7.145 7.145 8.176 -1.031 17952 668 1 2 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.492 0.911 17952 669 1 2 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.367 0.194 17952 670 1 2 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.583 1.514 17952 671 1 2 . 1 1 46 46 ARG N N 46 116.294 116.294 121.659 -5.365 17952 672 1 2 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.728 0.428 17952 673 1 2 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.018 2.136 17952 674 1 2 . 1 1 46 46 ARG CB C 46 37.970 37.970 34.290 3.680 17952 675 1 2 . 1 1 46 46 ARG H H 46 8.919 8.919 7.798 1.121 17952 676 1 2 . 1 1 47 47 ILE N N 47 117.069 117.069 120.492 -3.423 17952 677 1 2 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.740 0.944 17952 678 1 2 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.440 -0.620 17952 679 1 2 . 1 1 47 47 ILE CB C 47 41.712 41.712 41.162 0.550 17952 680 1 2 . 1 1 47 47 ILE H H 47 9.106 9.106 8.554 0.552 17952 681 1 2 . 1 1 48 48 GLY N N 48 116.903 116.903 117.756 -0.853 17952 682 1 2 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.381 0.148 17952 683 1 2 . 1 1 48 48 GLY H H 48 9.276 9.276 9.128 0.148 17952 684 1 2 . 1 1 49 49 LEU N N 49 123.729 123.729 127.238 -3.509 17952 685 1 2 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.605 0.836 17952 686 1 2 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.897 -0.535 17952 687 1 2 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.096 3.450 17952 688 1 2 . 1 1 49 49 LEU H H 49 8.957 8.957 8.393 0.564 17952 689 1 2 . 1 1 50 50 THR N N 50 120.870 120.870 125.161 -4.291 17952 690 1 2 . 1 1 50 50 THR HA H 50 4.616 4.616 4.627 -0.011 17952 691 1 2 . 1 1 50 50 THR H H 50 9.419 9.419 9.214 0.205 17952 692 1 2 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.630 -0.274 17952 693 1 2 . 1 1 51 51 VAL CA C 51 60.110 60.110 58.806 1.304 17952 694 1 2 . 1 1 51 51 VAL CB C 51 32.291 32.291 34.068 -1.777 17952 695 1 2 . 1 1 52 52 ALA N N 52 129.415 129.415 127.368 2.047 17952 696 1 2 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.112 -1.800 17952 697 1 2 . 1 1 52 52 ALA H H 52 9.046 9.046 8.179 0.867 17952 698 1 2 . 1 1 53 53 LYS N N 53 125.023 125.023 121.144 3.879 17952 699 1 2 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.287 -0.198 17952 700 1 2 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.991 0.744 17952 701 1 2 . 1 1 53 53 LYS CB C 53 32.096 32.096 31.636 0.460 17952 702 1 2 . 1 1 53 53 LYS H H 53 8.811 8.811 8.736 0.075 17952 703 1 2 . 1 1 54 54 LYS N N 54 114.126 114.126 116.149 -2.023 17952 704 1 2 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.368 -0.327 17952 705 1 2 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.207 0.746 17952 706 1 2 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.713 -0.783 17952 707 1 2 . 1 1 54 54 LYS H H 54 8.073 8.073 7.890 0.183 17952 708 1 2 . 1 1 55 55 ASN N N 55 115.234 115.234 116.552 -1.318 17952 709 1 2 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.790 0.068 17952 710 1 2 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.233 -0.456 17952 711 1 2 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.981 -1.452 17952 712 1 2 . 1 1 55 55 ASN H H 55 7.434 7.434 7.855 -0.421 17952 713 1 2 . 1 1 56 56 VAL N N 56 121.000 121.000 120.662 0.338 17952 714 1 2 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.605 -0.432 17952 715 1 2 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.465 0.297 17952 716 1 2 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.628 0.405 17952 717 1 2 . 1 1 56 56 VAL H H 56 7.764 7.764 8.143 -0.379 17952 718 1 2 . 1 1 57 57 ARG N N 57 125.781 125.781 126.991 -1.210 17952 719 1 2 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.694 -0.494 17952 720 1 2 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.453 2.193 17952 721 1 2 . 1 1 57 57 ARG CB C 57 31.004 31.004 31.696 -0.692 17952 722 1 2 . 1 1 57 57 ARG H H 57 8.441 8.441 9.541 -1.100 17952 723 1 2 . 1 1 58 58 ARG N N 58 118.159 118.159 121.552 -3.393 17952 724 1 2 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.507 0.087 17952 725 1 2 . 1 1 58 58 ARG H H 58 8.250 8.250 8.910 -0.660 17952 726 1 2 . 1 1 60 60 HIS N N 60 116.957 116.957 117.155 -0.198 17952 727 1 2 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.285 0.150 17952 728 1 2 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.425 0.180 17952 729 1 2 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.880 0.067 17952 730 1 2 . 1 1 60 60 HIS H H 60 7.600 7.600 8.745 -1.145 17952 731 1 2 . 1 1 61 61 GLU N N 61 119.542 119.542 119.649 -0.107 17952 732 1 2 . 1 1 61 61 GLU HA H 61 4.429 4.429 3.957 0.472 17952 733 1 2 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.355 -1.728 17952 734 1 2 . 1 1 61 61 GLU CB C 61 29.805 29.805 29.598 0.207 17952 735 1 2 . 1 1 61 61 GLU H H 61 6.702 6.702 7.706 -1.004 17952 736 1 2 . 1 1 62 62 ARG N N 62 120.227 120.227 118.846 1.381 17952 737 1 2 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.127 -0.394 17952 738 1 2 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.618 2.913 17952 739 1 2 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.735 -0.123 17952 740 1 2 . 1 1 62 62 ARG H H 62 7.951 7.951 8.260 -0.309 17952 741 1 2 . 1 1 63 63 ASN N N 63 116.757 116.757 120.016 -3.259 17952 742 1 2 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.568 -0.134 17952 743 1 2 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.510 -0.302 17952 744 1 2 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.562 -0.737 17952 745 1 2 . 1 1 63 63 ASN H H 63 8.365 8.365 8.278 0.087 17952 746 1 2 . 1 1 64 64 ARG N N 64 123.093 123.093 121.328 1.765 17952 747 1 2 . 1 1 64 64 ARG HA H 64 4.056 4.056 3.885 0.171 17952 748 1 2 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.450 0.688 17952 749 1 2 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.925 0.907 17952 750 1 2 . 1 1 64 64 ARG H H 64 7.770 7.770 7.936 -0.166 17952 751 1 2 . 1 1 65 65 ILE N N 65 117.911 117.911 117.885 0.026 17952 752 1 2 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.824 -0.299 17952 753 1 2 . 1 1 65 65 ILE CA C 65 64.715 64.715 62.734 1.981 17952 754 1 2 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.836 0.809 17952 755 1 2 . 1 1 65 65 ILE H H 65 8.121 8.121 8.323 -0.202 17952 756 1 2 . 1 1 66 66 LYS N N 66 122.635 122.635 121.696 0.939 17952 757 1 2 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.155 -0.384 17952 758 1 2 . 1 1 66 66 LYS CA C 66 60.935 60.935 60.296 0.639 17952 759 1 2 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.299 0.125 17952 760 1 2 . 1 1 66 66 LYS H H 66 8.337 8.337 7.408 0.929 17952 761 1 2 . 1 1 67 67 ARG N N 67 119.137 119.137 119.102 0.035 17952 762 1 2 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.090 -0.082 17952 763 1 2 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.047 0.942 17952 764 1 2 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.024 0.011 17952 765 1 2 . 1 1 67 67 ARG H H 67 8.257 8.257 7.786 0.471 17952 766 1 2 . 1 1 68 68 LEU N N 68 119.084 119.084 120.090 -1.006 17952 767 1 2 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.212 -0.104 17952 768 1 2 . 1 1 68 68 LEU CA C 68 58.022 58.022 57.732 0.290 17952 769 1 2 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.480 0.122 17952 770 1 2 . 1 1 68 68 LEU H H 68 8.427 8.427 7.737 0.690 17952 771 1 2 . 1 1 69 69 THR N N 69 118.019 118.019 112.523 5.496 17952 772 1 2 . 1 1 69 69 THR CA C 69 67.701 67.701 65.445 2.256 17952 773 1 2 . 1 1 69 69 THR H H 69 8.433 8.433 7.890 0.543 17952 774 1 2 . 1 1 70 70 ARG N N 70 122.713 122.713 121.165 1.548 17952 775 1 2 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.219 2.191 17952 776 1 2 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.363 -0.312 17952 777 1 2 . 1 1 70 70 ARG H H 70 8.346 8.346 8.482 -0.136 17952 778 1 2 . 1 1 71 71 GLU N N 71 118.890 118.890 117.964 0.926 17952 779 1 2 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.140 0.126 17952 780 1 2 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.077 0.404 17952 781 1 2 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.699 -0.383 17952 782 1 2 . 1 1 71 71 GLU H H 71 8.334 8.334 7.741 0.593 17952 783 1 2 . 1 1 72 72 SER N N 72 114.922 114.922 114.631 0.291 17952 784 1 2 . 1 1 72 72 SER HA H 72 4.243 4.243 4.320 -0.077 17952 785 1 2 . 1 1 72 72 SER CA C 72 61.292 61.292 60.885 0.407 17952 786 1 2 . 1 1 72 72 SER CB C 72 63.065 63.065 62.875 0.190 17952 787 1 2 . 1 1 72 72 SER H H 72 8.205 8.205 7.463 0.742 17952 788 1 2 . 1 1 73 73 PHE N N 73 122.665 122.665 117.573 5.092 17952 789 1 2 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.568 -1.459 17952 790 1 2 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.390 1.145 17952 791 1 2 . 1 1 73 73 PHE H H 73 7.788 7.788 7.680 0.108 17952 792 1 2 . 1 1 74 74 ARG N N 74 119.417 119.417 120.605 -1.188 17952 793 1 2 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.569 -0.672 17952 794 1 2 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.062 2.139 17952 795 1 2 . 1 1 74 74 ARG CB C 74 29.981 29.981 31.939 -1.958 17952 796 1 2 . 1 1 74 74 ARG H H 74 8.580 8.580 7.596 0.984 17952 797 1 2 . 1 1 75 75 LEU N N 75 117.144 117.144 120.480 -3.336 17952 798 1 2 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.215 -0.119 17952 799 1 2 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.216 1.001 17952 800 1 2 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.708 0.080 17952 801 1 2 . 1 1 75 75 LEU H H 75 7.903 7.903 8.419 -0.516 17952 802 1 2 . 1 1 76 76 ARG N N 76 113.888 113.888 117.675 -3.787 17952 803 1 2 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.362 0.061 17952 804 1 2 . 1 1 76 76 ARG CA C 76 54.487 54.487 53.963 0.524 17952 805 1 2 . 1 1 76 76 ARG CB C 76 31.867 31.867 28.231 3.636 17952 806 1 2 . 1 1 76 76 ARG H H 76 6.736 6.736 7.455 -0.719 17952 807 1 2 . 1 1 77 77 GLN N N 77 120.009 120.009 119.324 0.685 17952 808 1 2 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.758 1.498 17952 809 1 2 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.269 0.319 17952 810 1 2 . 1 1 77 77 GLN H H 77 7.273 7.273 7.746 -0.473 17952 811 1 2 . 1 1 78 78 HIS N N 78 114.954 114.954 117.444 -2.490 17952 812 1 2 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.635 -0.190 17952 813 1 2 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.275 0.525 17952 814 1 2 . 1 1 78 78 HIS CB C 78 29.402 29.402 28.881 0.521 17952 815 1 2 . 1 1 78 78 HIS H H 78 8.389 8.389 8.517 -0.128 17952 816 1 2 . 1 1 79 79 GLU N N 79 118.231 118.231 118.772 -0.541 17952 817 1 2 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.562 -0.155 17952 818 1 2 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.595 -0.203 17952 819 1 2 . 1 1 79 79 GLU CB C 79 31.296 31.296 31.367 -0.071 17952 820 1 2 . 1 1 79 79 GLU H H 79 7.717 7.717 7.814 -0.097 17952 821 1 2 . 1 1 80 80 LEU N N 80 119.751 119.751 116.248 3.503 17952 822 1 2 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.820 -0.266 17952 823 1 2 . 1 1 80 80 LEU H H 80 6.859 6.859 7.397 -0.538 17952 824 1 2 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.646 -0.075 17952 825 1 2 . 1 1 81 81 PRO CA C 81 61.725 61.725 61.903 -0.178 17952 826 1 2 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.679 -0.347 17952 827 1 2 . 1 1 82 82 ALA N N 82 122.525 122.525 124.227 -1.702 17952 828 1 2 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.551 -0.793 17952 829 1 2 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.846 -1.938 17952 830 1 2 . 1 1 82 82 ALA H H 82 8.425 8.425 8.499 -0.074 17952 831 1 2 . 1 1 83 83 MET N N 83 122.963 122.963 118.274 4.689 17952 832 1 2 . 1 1 83 83 MET HA H 83 4.387 4.387 4.640 -0.253 17952 833 1 2 . 1 1 83 83 MET CA C 83 54.002 54.002 54.363 -0.361 17952 834 1 2 . 1 1 83 83 MET CB C 83 35.655 35.655 35.993 -0.338 17952 835 1 2 . 1 1 83 83 MET H H 83 7.851 7.851 7.345 0.506 17952 836 1 2 . 1 1 84 84 ASP N N 84 121.733 121.733 121.181 0.552 17952 837 1 2 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.651 0.101 17952 838 1 2 . 1 1 84 84 ASP CA C 84 53.638 53.638 55.625 -1.987 17952 839 1 2 . 1 1 84 84 ASP CB C 84 41.990 41.990 40.846 1.145 17952 840 1 2 . 1 1 84 84 ASP H H 84 8.393 8.393 8.354 0.039 17952 841 1 2 . 1 1 85 85 PHE N N 85 121.368 121.368 124.846 -3.478 17952 842 1 2 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.453 1.503 17952 843 1 2 . 1 1 85 85 PHE CB C 85 42.080 42.080 38.565 3.515 17952 844 1 2 . 1 1 85 85 PHE H H 85 8.849 8.849 8.916 -0.067 17952 845 1 2 . 1 1 86 86 VAL N N 86 120.431 120.431 125.222 -4.791 17952 846 1 2 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.497 0.119 17952 847 1 2 . 1 1 86 86 VAL CA C 86 60.874 60.874 61.204 -0.330 17952 848 1 2 . 1 1 86 86 VAL CB C 86 34.882 34.882 32.715 2.167 17952 849 1 2 . 1 1 86 86 VAL H H 86 9.407 9.407 8.182 1.225 17952 850 1 2 . 1 1 87 87 VAL N N 87 127.860 127.860 130.043 -2.183 17952 851 1 2 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.527 0.090 17952 852 1 2 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.394 0.026 17952 853 1 2 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.009 -0.887 17952 854 1 2 . 1 1 87 87 VAL H H 87 8.843 8.843 8.675 0.168 17952 855 1 2 . 1 1 88 88 VAL N N 88 128.150 128.150 129.268 -1.118 17952 856 1 2 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.268 0.387 17952 857 1 2 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.680 -0.415 17952 858 1 2 . 1 1 88 88 VAL CB C 88 33.439 33.439 31.624 1.815 17952 859 1 2 . 1 1 88 88 VAL H H 88 9.538 9.538 9.269 0.269 17952 860 1 2 . 1 1 89 89 ALA N N 89 128.337 128.337 132.336 -3.999 17952 861 1 2 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.660 -0.056 17952 862 1 2 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.760 1.111 17952 863 1 2 . 1 1 89 89 ALA H H 89 8.170 8.170 8.656 -0.486 17952 864 1 2 . 1 1 90 90 LYS N N 90 123.110 123.110 125.023 -1.913 17952 865 1 2 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.452 0.025 17952 866 1 2 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.475 0.635 17952 867 1 2 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.895 -0.440 17952 868 1 2 . 1 1 90 90 LYS H H 90 8.231 8.231 8.430 -0.199 17952 869 1 2 . 1 1 91 91 LYS N N 91 119.291 119.291 119.980 -0.689 17952 870 1 2 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.070 -0.022 17952 871 1 2 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.814 1.357 17952 872 1 2 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.542 0.677 17952 873 1 2 . 1 1 91 91 LYS H H 91 8.162 8.162 8.549 -0.387 17952 874 1 2 . 1 1 92 92 GLY N N 92 112.991 112.991 112.474 0.517 17952 875 1 2 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.345 -0.209 17952 876 1 2 . 1 1 92 92 GLY H H 92 8.783 8.783 8.323 0.460 17952 877 1 2 . 1 1 93 93 VAL N N 93 122.937 122.937 119.895 3.042 17952 878 1 2 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.755 -0.025 17952 879 1 2 . 1 1 93 93 VAL CA C 93 64.911 64.911 66.087 -1.176 17952 880 1 2 . 1 1 93 93 VAL CB C 93 29.998 29.998 30.826 -0.828 17952 881 1 2 . 1 1 93 93 VAL H H 93 8.363 8.363 7.514 0.849 17952 882 1 2 . 1 1 94 94 ALA N N 94 119.882 119.882 117.766 2.116 17952 883 1 2 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.145 -0.049 17952 884 1 2 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.937 -0.268 17952 885 1 2 . 1 1 94 94 ALA H H 94 7.960 7.960 8.160 -0.200 17952 886 1 2 . 1 1 95 95 ASP N N 95 114.705 114.705 119.374 -4.669 17952 887 1 2 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.629 -0.137 17952 888 1 2 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.299 0.562 17952 889 1 2 . 1 1 95 95 ASP CB C 95 40.883 40.883 42.122 -1.239 17952 890 1 2 . 1 1 95 95 ASP H H 95 7.360 7.360 7.704 -0.344 17952 891 1 2 . 1 1 96 96 LEU N N 96 120.424 120.424 121.557 -1.133 17952 892 1 2 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.130 0.328 17952 893 1 2 . 1 1 96 96 LEU CA C 96 54.357 54.357 55.559 -1.202 17952 894 1 2 . 1 1 96 96 LEU CB C 96 42.433 42.433 42.166 0.267 17952 895 1 2 . 1 1 96 96 LEU H H 96 7.389 7.389 7.742 -0.353 17952 896 1 2 . 1 1 97 97 ASP N N 97 123.018 123.018 123.305 -0.287 17952 897 1 2 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.515 0.015 17952 898 1 2 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.176 -1.341 17952 899 1 2 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.059 -2.557 17952 900 1 2 . 1 1 97 97 ASP H H 97 8.473 8.473 8.306 0.167 17952 901 1 2 . 1 1 98 98 ASN N N 98 117.692 117.692 119.664 -1.972 17952 902 1 2 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.399 -0.263 17952 903 1 2 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.108 0.757 17952 904 1 2 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.645 -1.705 17952 905 1 2 . 1 1 98 98 ASN H H 98 8.651 8.651 8.681 -0.030 17952 906 1 2 . 1 1 99 99 ARG N N 99 120.819 120.819 117.984 2.835 17952 907 1 2 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.094 -0.041 17952 908 1 2 . 1 1 99 99 ARG CA C 99 59.498 59.498 59.107 0.391 17952 909 1 2 . 1 1 99 99 ARG CB C 99 29.317 29.317 29.862 -0.545 17952 910 1 2 . 1 1 99 99 ARG H H 99 8.191 8.191 8.589 -0.398 17952 911 1 2 . 1 1 100 100 ALA N N 100 122.928 122.928 123.615 -0.687 17952 912 1 2 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.149 0.002 17952 913 1 2 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.234 0.815 17952 914 1 2 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.381 0.616 17952 915 1 2 . 1 1 100 100 ALA H H 100 8.524 8.524 7.848 0.676 17952 916 1 2 . 1 1 101 101 LEU N N 101 120.795 120.795 115.828 4.967 17952 917 1 2 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.248 -0.150 17952 918 1 2 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.823 0.412 17952 919 1 2 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.381 0.128 17952 920 1 2 . 1 1 101 101 LEU H H 101 8.961 8.961 8.092 0.869 17952 921 1 2 . 1 1 102 102 SER N N 102 115.314 115.314 115.981 -0.667 17952 922 1 2 . 1 1 102 102 SER HA H 102 4.123 4.123 4.060 0.063 17952 923 1 2 . 1 1 102 102 SER CB C 102 62.761 62.761 62.754 0.007 17952 924 1 2 . 1 1 102 102 SER H H 102 8.459 8.459 7.609 0.850 17952 925 1 2 . 1 1 103 103 GLU N N 103 122.468 122.468 118.371 4.097 17952 926 1 2 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.193 -0.063 17952 927 1 2 . 1 1 103 103 GLU CA C 103 59.468 59.468 56.552 2.916 17952 928 1 2 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.155 0.373 17952 929 1 2 . 1 1 103 103 GLU H H 103 8.492 8.492 7.758 0.734 17952 930 1 2 . 1 1 104 104 ALA N N 104 123.159 123.159 120.069 3.090 17952 931 1 2 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.390 -0.300 17952 932 1 2 . 1 1 104 104 ALA CA C 104 55.242 55.242 53.481 1.761 17952 933 1 2 . 1 1 104 104 ALA CB C 104 17.827 17.827 20.536 -2.709 17952 934 1 2 . 1 1 104 104 ALA H H 104 8.074 8.074 7.321 0.753 17952 935 1 2 . 1 1 105 105 LEU N N 105 116.602 116.602 121.025 -4.423 17952 936 1 2 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.726 -0.174 17952 937 1 2 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.063 0.341 17952 938 1 2 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.472 0.146 17952 939 1 2 . 1 1 105 105 LEU H H 105 8.318 8.318 8.365 -0.047 17952 940 1 2 . 1 1 106 106 GLU N N 106 117.564 117.564 116.116 1.448 17952 941 1 2 . 1 1 106 106 GLU HA H 106 4.232 4.232 3.735 0.497 17952 942 1 2 . 1 1 106 106 GLU CA C 106 60.416 60.416 58.630 1.786 17952 943 1 2 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.767 0.158 17952 944 1 2 . 1 1 106 106 GLU H H 106 8.009 8.009 7.821 0.188 17952 945 1 2 . 1 1 107 107 LYS N N 107 117.286 117.286 119.014 -1.728 17952 946 1 2 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.194 -0.220 17952 947 1 2 . 1 1 107 107 LYS CA C 107 59.907 59.907 57.633 2.273 17952 948 1 2 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.595 0.786 17952 949 1 2 . 1 1 107 107 LYS H H 107 7.787 7.787 7.701 0.086 17952 950 1 2 . 1 1 108 108 LEU N N 108 120.504 120.504 120.367 0.137 17952 951 1 2 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.201 -0.222 17952 952 1 2 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.680 0.137 17952 953 1 2 . 1 1 108 108 LEU CB C 108 42.300 42.300 40.724 1.576 17952 954 1 2 . 1 1 108 108 LEU H H 108 7.875 7.875 7.419 0.456 17952 955 1 2 . 1 1 109 109 TRP N N 109 120.547 120.547 118.464 2.083 17952 956 1 2 . 1 1 109 109 TRP CA C 109 59.887 59.887 59.240 0.647 17952 957 1 2 . 1 1 109 109 TRP CB C 109 30.763 30.763 27.922 2.841 17952 958 1 2 . 1 1 109 109 TRP H H 109 9.048 9.048 7.465 1.583 17952 959 1 2 . 1 1 110 110 ARG N N 110 117.678 117.678 118.473 -0.795 17952 960 1 2 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.983 0.091 17952 961 1 2 . 1 1 110 110 ARG CA C 110 60.243 60.243 60.243 0.000 17952 962 1 2 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.002 -0.360 17952 963 1 2 . 1 1 110 110 ARG H H 110 8.425 8.425 7.648 0.777 17952 964 1 2 . 1 1 111 111 ARG N N 111 121.156 121.156 119.148 2.008 17952 965 1 2 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.177 -0.002 17952 966 1 2 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.319 0.749 17952 967 1 2 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.822 -0.752 17952 968 1 2 . 1 1 111 111 ARG H H 111 8.100 8.100 7.857 0.243 17952 969 1 2 . 1 1 112 112 HIS N N 112 118.118 118.118 119.957 -1.839 17952 970 1 2 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.342 -0.039 17952 971 1 2 . 1 1 112 112 HIS CA C 112 61.535 61.535 60.321 1.214 17952 972 1 2 . 1 1 112 112 HIS CB C 112 31.917 31.917 29.926 1.991 17952 973 1 2 . 1 1 112 112 HIS H H 112 8.250 8.250 8.590 -0.340 17952 974 1 2 . 1 1 113 113 CYS N N 113 117.579 117.579 115.660 1.919 17952 975 1 2 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.331 -0.067 17952 976 1 2 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.547 2.589 17952 977 1 2 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.405 -0.620 17952 978 1 2 . 1 1 113 113 CYS H H 113 8.181 8.181 8.495 -0.314 17952 979 1 2 . 1 1 114 114 ARG N N 114 120.172 120.172 119.770 0.402 17952 980 1 2 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.331 -0.184 17952 981 1 2 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.299 0.751 17952 982 1 2 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.851 -0.033 17952 983 1 2 . 1 1 114 114 ARG H H 114 7.870 7.870 7.307 0.563 17952 984 1 2 . 1 1 115 115 LEU N N 115 120.720 120.720 120.376 0.344 17952 985 1 2 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.147 -0.030 17952 986 1 2 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.799 -0.437 17952 987 1 2 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.855 0.047 17952 988 1 2 . 1 1 115 115 LEU H H 115 8.690 8.690 8.476 0.214 17952 989 1 2 . 1 1 116 116 ALA N N 116 119.118 119.118 118.722 0.396 17952 990 1 2 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.254 0.113 17952 991 1 2 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.963 0.125 17952 992 1 2 . 1 1 116 116 ALA H H 116 7.751 7.751 7.387 0.364 17952 993 1 2 . 1 1 117 117 ARG N N 117 117.010 117.010 117.909 -0.899 17952 994 1 2 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.477 -0.089 17952 995 1 2 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.490 1.556 17952 996 1 2 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.596 0.262 17952 997 1 2 . 1 1 117 117 ARG H H 117 7.602 7.602 7.457 0.145 17952 998 1 2 . 1 1 118 118 GLY N N 118 108.836 108.836 108.216 0.620 17952 999 1 2 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.423 1.143 17952 1000 1 2 . 1 1 118 118 GLY H H 118 8.087 8.087 7.448 0.639 17952 1001 1 3 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.074 1.117 17952 1002 1 3 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.036 -1.070 17952 1003 1 3 . 1 1 4 4 LEU N N 4 125.667 125.667 120.210 5.457 17952 1004 1 3 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.091 0.296 17952 1005 1 3 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.633 -0.966 17952 1006 1 3 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.640 0.978 17952 1007 1 3 . 1 1 4 4 LEU H H 4 8.498 8.498 8.151 0.347 17952 1008 1 3 . 1 1 5 5 ALA N N 5 126.419 126.419 118.333 8.086 17952 1009 1 3 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.485 -0.114 17952 1010 1 3 . 1 1 5 5 ALA CB C 5 19.337 19.337 20.965 -1.628 17952 1011 1 3 . 1 1 5 5 ALA H H 5 8.435 8.435 7.037 1.398 17952 1012 1 3 . 1 1 6 6 PHE N N 6 124.718 124.718 119.160 5.558 17952 1013 1 3 . 1 1 6 6 PHE H H 6 8.714 8.714 8.300 0.414 17952 1014 1 3 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.742 -0.506 17952 1015 1 3 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.495 1.241 17952 1016 1 3 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.798 -0.396 17952 1017 1 3 . 1 1 8 8 ARG N N 8 124.351 124.351 121.799 2.552 17952 1018 1 3 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.242 -0.458 17952 1019 1 3 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.219 1.753 17952 1020 1 3 . 1 1 8 8 ARG CB C 8 30.256 30.256 30.257 -0.001 17952 1021 1 3 . 1 1 8 8 ARG H H 8 8.650 8.650 8.707 -0.057 17952 1022 1 3 . 1 1 9 9 GLU N N 9 117.015 117.015 120.949 -3.934 17952 1023 1 3 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.268 -0.027 17952 1024 1 3 . 1 1 9 9 GLU CA C 9 58.536 58.536 56.290 2.246 17952 1025 1 3 . 1 1 9 9 GLU CB C 9 28.286 28.286 28.645 -0.359 17952 1026 1 3 . 1 1 9 9 GLU H H 9 9.522 9.522 8.403 1.119 17952 1027 1 3 . 1 1 10 10 LEU N N 10 116.269 116.269 122.480 -6.211 17952 1028 1 3 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.388 0.294 17952 1029 1 3 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.210 -1.886 17952 1030 1 3 . 1 1 10 10 LEU CB C 10 42.305 42.305 44.256 -1.951 17952 1031 1 3 . 1 1 10 10 LEU H H 10 7.285 7.285 8.238 -0.953 17952 1032 1 3 . 1 1 11 11 ARG N N 11 116.982 116.982 119.133 -2.151 17952 1033 1 3 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.490 0.555 17952 1034 1 3 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.118 0.553 17952 1035 1 3 . 1 1 11 11 ARG CB C 11 32.827 32.827 32.480 0.346 17952 1036 1 3 . 1 1 11 11 ARG H H 11 7.618 7.618 7.690 -0.072 17952 1037 1 3 . 1 1 12 12 LEU N N 12 119.127 119.127 124.788 -5.661 17952 1038 1 3 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.403 -0.074 17952 1039 1 3 . 1 1 12 12 LEU CA C 12 54.115 54.115 55.002 -0.887 17952 1040 1 3 . 1 1 12 12 LEU CB C 12 41.683 41.683 41.867 -0.184 17952 1041 1 3 . 1 1 12 12 LEU H H 12 7.289 7.289 8.573 -1.284 17952 1042 1 3 . 1 1 13 13 LEU N N 13 123.181 123.181 128.122 -4.941 17952 1043 1 3 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.574 0.173 17952 1044 1 3 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.767 1.423 17952 1045 1 3 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.221 5.013 17952 1046 1 3 . 1 1 13 13 LEU H H 13 8.816 8.816 8.560 0.256 17952 1047 1 3 . 1 1 14 14 THR N N 14 111.810 111.810 119.894 -8.084 17952 1048 1 3 . 1 1 14 14 THR HA H 14 5.104 5.104 4.739 0.365 17952 1049 1 3 . 1 1 14 14 THR H H 14 8.321 8.321 8.083 0.238 17952 1050 1 3 . 1 1 16 16 SER HA H 16 4.282 4.282 4.544 -0.262 17952 1051 1 3 . 1 1 16 16 SER CB C 16 62.228 62.228 62.663 -0.435 17952 1052 1 3 . 1 1 17 17 GLN N N 17 122.336 122.336 126.338 -4.002 17952 1053 1 3 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.090 -0.012 17952 1054 1 3 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.978 -0.856 17952 1055 1 3 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.886 0.217 17952 1056 1 3 . 1 1 17 17 GLN H H 17 7.967 7.967 8.423 -0.456 17952 1057 1 3 . 1 1 18 18 PHE N N 18 119.658 119.658 118.765 0.893 17952 1058 1 3 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.208 0.432 17952 1059 1 3 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.766 -0.275 17952 1060 1 3 . 1 1 18 18 PHE H H 18 7.733 7.733 8.609 -0.876 17952 1061 1 3 . 1 1 19 19 THR N N 19 116.141 116.141 114.878 1.263 17952 1062 1 3 . 1 1 19 19 THR HA H 19 3.911 3.911 3.989 -0.078 17952 1063 1 3 . 1 1 19 19 THR CA C 19 67.058 67.058 65.343 1.715 17952 1064 1 3 . 1 1 19 19 THR CB C 19 68.790 68.790 68.859 -0.069 17952 1065 1 3 . 1 1 19 19 THR H H 19 8.622 8.622 7.774 0.848 17952 1066 1 3 . 1 1 20 20 PHE N N 20 119.904 119.904 121.539 -1.635 17952 1067 1 3 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.461 -0.312 17952 1068 1 3 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.929 -0.669 17952 1069 1 3 . 1 1 20 20 PHE H H 20 7.728 7.728 7.432 0.296 17952 1070 1 3 . 1 1 21 21 VAL N N 21 117.896 117.896 118.508 -0.612 17952 1071 1 3 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.676 -0.594 17952 1072 1 3 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.319 2.017 17952 1073 1 3 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.951 -0.362 17952 1074 1 3 . 1 1 21 21 VAL H H 21 6.861 6.861 8.621 -1.760 17952 1075 1 3 . 1 1 22 22 PHE N N 22 114.352 114.352 116.863 -2.511 17952 1076 1 3 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.123 -0.112 17952 1077 1 3 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.170 -0.585 17952 1078 1 3 . 1 1 22 22 PHE H H 22 7.653 7.653 7.471 0.182 17952 1079 1 3 . 1 1 23 23 GLN N N 23 116.245 116.245 117.591 -1.346 17952 1080 1 3 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.025 0.008 17952 1081 1 3 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.111 1.304 17952 1082 1 3 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.216 -0.266 17952 1083 1 3 . 1 1 23 23 GLN H H 23 7.928 7.928 7.417 0.511 17952 1084 1 3 . 1 1 24 24 GLN N N 24 114.087 114.087 117.482 -3.395 17952 1085 1 3 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.782 -0.357 17952 1086 1 3 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.148 1.543 17952 1087 1 3 . 1 1 24 24 GLN CB C 24 29.457 29.457 31.263 -1.806 17952 1088 1 3 . 1 1 24 24 GLN H H 24 6.731 6.731 7.420 -0.689 17952 1089 1 3 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.750 0.278 17952 1090 1 3 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.736 1.443 17952 1091 1 3 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.587 -1.010 17952 1092 1 3 . 1 1 26 26 GLN N N 26 120.107 120.107 120.872 -0.765 17952 1093 1 3 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.210 1.069 17952 1094 1 3 . 1 1 26 26 GLN CB C 26 30.556 30.556 27.927 2.630 17952 1095 1 3 . 1 1 26 26 GLN H H 26 9.622 9.622 8.475 1.147 17952 1096 1 3 . 1 1 27 27 ARG N N 27 125.712 125.712 127.516 -1.804 17952 1097 1 3 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.437 0.783 17952 1098 1 3 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.983 0.142 17952 1099 1 3 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.881 4.760 17952 1100 1 3 . 1 1 27 27 ARG H H 27 9.068 9.068 8.597 0.471 17952 1101 1 3 . 1 1 28 28 ALA N N 28 123.402 123.402 128.312 -4.910 17952 1102 1 3 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.873 -0.359 17952 1103 1 3 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.109 -0.190 17952 1104 1 3 . 1 1 28 28 ALA H H 28 8.102 8.102 8.975 -0.873 17952 1105 1 3 . 1 1 29 29 GLY N N 29 109.532 109.532 106.236 3.296 17952 1106 1 3 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.764 2.120 17952 1107 1 3 . 1 1 29 29 GLY H H 29 8.572 8.572 8.427 0.145 17952 1108 1 3 . 1 1 30 30 THR N N 30 113.168 113.168 111.859 1.309 17952 1109 1 3 . 1 1 30 30 THR HA H 30 4.953 4.953 4.953 -0.000 17952 1110 1 3 . 1 1 30 30 THR H H 30 9.199 9.199 8.576 0.623 17952 1111 1 3 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.452 -0.155 17952 1112 1 3 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.929 0.582 17952 1113 1 3 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.066 -1.083 17952 1114 1 3 . 1 1 32 32 GLN N N 32 110.281 110.281 114.961 -4.680 17952 1115 1 3 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.305 -0.110 17952 1116 1 3 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.255 1.223 17952 1117 1 3 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.431 -0.435 17952 1118 1 3 . 1 1 32 32 GLN H H 32 7.403 7.403 8.282 -0.879 17952 1119 1 3 . 1 1 33 33 ILE N N 33 118.254 118.254 118.007 0.247 17952 1120 1 3 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.254 -0.014 17952 1121 1 3 . 1 1 33 33 ILE CB C 33 42.791 42.791 40.979 1.812 17952 1122 1 3 . 1 1 33 33 ILE H H 33 7.353 7.353 7.449 -0.096 17952 1123 1 3 . 1 1 34 34 THR N N 34 122.650 122.650 125.948 -3.298 17952 1124 1 3 . 1 1 34 34 THR HA H 34 4.946 4.946 4.892 0.054 17952 1125 1 3 . 1 1 34 34 THR CA C 34 61.792 61.792 62.027 -0.235 17952 1126 1 3 . 1 1 34 34 THR CB C 34 71.752 71.752 70.057 1.695 17952 1127 1 3 . 1 1 34 34 THR H H 34 8.787 8.787 9.012 -0.225 17952 1128 1 3 . 1 1 35 35 ILE N N 35 123.778 123.778 127.428 -3.650 17952 1129 1 3 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.476 0.685 17952 1130 1 3 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.424 1.289 17952 1131 1 3 . 1 1 35 35 ILE CB C 35 40.043 40.043 39.703 0.340 17952 1132 1 3 . 1 1 35 35 ILE H H 35 9.109 9.109 9.052 0.057 17952 1133 1 3 . 1 1 36 36 LEU N N 36 132.558 132.558 129.643 2.915 17952 1134 1 3 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.712 0.922 17952 1135 1 3 . 1 1 36 36 LEU CA C 36 53.244 53.244 54.101 -0.857 17952 1136 1 3 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.130 2.368 17952 1137 1 3 . 1 1 36 36 LEU H H 36 9.500 9.500 9.263 0.237 17952 1138 1 3 . 1 1 37 37 GLY N N 37 106.940 106.940 111.442 -4.502 17952 1139 1 3 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.225 1.033 17952 1140 1 3 . 1 1 37 37 GLY H H 37 9.058 9.058 8.578 0.480 17952 1141 1 3 . 1 1 38 38 ARG N N 38 121.378 121.378 122.175 -0.797 17952 1142 1 3 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.831 -0.179 17952 1143 1 3 . 1 1 38 38 ARG CA C 38 56.285 56.285 54.545 1.740 17952 1144 1 3 . 1 1 38 38 ARG CB C 38 35.176 35.176 35.572 -0.396 17952 1145 1 3 . 1 1 38 38 ARG H H 38 8.384 8.384 8.524 -0.140 17952 1146 1 3 . 1 1 39 39 LEU N N 39 129.596 129.596 118.896 10.700 17952 1147 1 3 . 1 1 39 39 LEU CB C 39 42.472 42.472 44.261 -1.790 17952 1148 1 3 . 1 1 39 39 LEU H H 39 9.030 9.030 8.484 0.546 17952 1149 1 3 . 1 1 40 40 ASN N N 40 119.921 119.921 120.229 -0.308 17952 1150 1 3 . 1 1 40 40 ASN CA C 40 51.546 51.546 53.011 -1.465 17952 1151 1 3 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.407 -0.319 17952 1152 1 3 . 1 1 40 40 ASN H H 40 8.186 8.186 8.354 -0.168 17952 1153 1 3 . 1 1 41 41 SER N N 41 112.600 112.600 120.874 -8.274 17952 1154 1 3 . 1 1 41 41 SER HA H 41 4.484 4.484 4.478 0.006 17952 1155 1 3 . 1 1 41 41 SER CB C 41 62.949 62.949 61.975 0.974 17952 1156 1 3 . 1 1 41 41 SER H H 41 8.646 8.646 8.701 -0.055 17952 1157 1 3 . 1 1 42 42 LEU N N 42 120.612 120.612 128.633 -8.021 17952 1158 1 3 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.546 -0.212 17952 1159 1 3 . 1 1 42 42 LEU CA C 42 54.828 54.828 53.731 1.097 17952 1160 1 3 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.972 0.741 17952 1161 1 3 . 1 1 42 42 LEU H H 42 8.538 8.538 7.977 0.561 17952 1162 1 3 . 1 1 43 43 GLY N N 43 105.922 105.922 109.017 -3.095 17952 1163 1 3 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.449 -0.178 17952 1164 1 3 . 1 1 43 43 GLY H H 43 8.317 8.317 8.574 -0.257 17952 1165 1 3 . 1 1 44 44 HIS N N 44 114.144 114.144 122.711 -8.567 17952 1166 1 3 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.927 0.138 17952 1167 1 3 . 1 1 44 44 HIS H H 44 7.145 7.145 8.183 -1.038 17952 1168 1 3 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.527 0.876 17952 1169 1 3 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.270 0.291 17952 1170 1 3 . 1 1 45 45 PRO CB C 45 33.097 33.097 33.094 0.003 17952 1171 1 3 . 1 1 46 46 ARG N N 46 116.294 116.294 117.929 -1.635 17952 1172 1 3 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.654 0.502 17952 1173 1 3 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.866 1.288 17952 1174 1 3 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.154 4.816 17952 1175 1 3 . 1 1 46 46 ARG H H 46 8.919 8.919 8.349 0.570 17952 1176 1 3 . 1 1 47 47 ILE N N 47 117.069 117.069 121.254 -4.185 17952 1177 1 3 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.283 1.401 17952 1178 1 3 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.790 -0.970 17952 1179 1 3 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.815 1.897 17952 1180 1 3 . 1 1 47 47 ILE H H 47 9.106 9.106 8.376 0.730 17952 1181 1 3 . 1 1 48 48 GLY N N 48 116.903 116.903 117.157 -0.254 17952 1182 1 3 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.518 0.011 17952 1183 1 3 . 1 1 48 48 GLY H H 48 9.276 9.276 8.830 0.446 17952 1184 1 3 . 1 1 49 49 LEU N N 49 123.729 123.729 127.602 -3.873 17952 1185 1 3 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.955 0.486 17952 1186 1 3 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.677 -0.315 17952 1187 1 3 . 1 1 49 49 LEU CB C 49 45.545 45.545 44.006 1.539 17952 1188 1 3 . 1 1 49 49 LEU H H 49 8.957 8.957 8.476 0.481 17952 1189 1 3 . 1 1 50 50 THR N N 50 120.870 120.870 124.334 -3.464 17952 1190 1 3 . 1 1 50 50 THR HA H 50 4.616 4.616 4.511 0.105 17952 1191 1 3 . 1 1 50 50 THR H H 50 9.419 9.419 9.281 0.138 17952 1192 1 3 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.187 0.169 17952 1193 1 3 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.559 -0.449 17952 1194 1 3 . 1 1 51 51 VAL CB C 51 32.291 32.291 31.586 0.705 17952 1195 1 3 . 1 1 52 52 ALA N N 52 129.415 129.415 130.743 -1.328 17952 1196 1 3 . 1 1 52 52 ALA CB C 52 19.312 19.312 19.713 -0.401 17952 1197 1 3 . 1 1 52 52 ALA H H 52 9.046 9.046 8.593 0.453 17952 1198 1 3 . 1 1 53 53 LYS N N 53 125.023 125.023 124.348 0.675 17952 1199 1 3 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.448 -0.359 17952 1200 1 3 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.534 1.201 17952 1201 1 3 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.286 -0.190 17952 1202 1 3 . 1 1 53 53 LYS H H 53 8.811 8.811 8.805 0.006 17952 1203 1 3 . 1 1 54 54 LYS N N 54 114.126 114.126 115.028 -0.902 17952 1204 1 3 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.315 -0.274 17952 1205 1 3 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.807 0.146 17952 1206 1 3 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.428 -0.498 17952 1207 1 3 . 1 1 54 54 LYS H H 54 8.073 8.073 7.910 0.163 17952 1208 1 3 . 1 1 55 55 ASN N N 55 115.234 115.234 117.068 -1.834 17952 1209 1 3 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.803 0.055 17952 1210 1 3 . 1 1 55 55 ASN CA C 55 53.777 53.777 53.801 -0.024 17952 1211 1 3 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.509 -0.980 17952 1212 1 3 . 1 1 55 55 ASN H H 55 7.434 7.434 7.872 -0.438 17952 1213 1 3 . 1 1 56 56 VAL N N 56 121.000 121.000 122.975 -1.975 17952 1214 1 3 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.321 -0.148 17952 1215 1 3 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.665 0.096 17952 1216 1 3 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.656 1.377 17952 1217 1 3 . 1 1 56 56 VAL H H 56 7.764 7.764 8.443 -0.679 17952 1218 1 3 . 1 1 57 57 ARG N N 57 125.781 125.781 124.800 0.981 17952 1219 1 3 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.456 -0.256 17952 1220 1 3 . 1 1 57 57 ARG CA C 57 58.646 58.646 55.917 2.729 17952 1221 1 3 . 1 1 57 57 ARG CB C 57 31.004 31.004 29.904 1.100 17952 1222 1 3 . 1 1 57 57 ARG H H 57 8.441 8.441 8.543 -0.102 17952 1223 1 3 . 1 1 58 58 ARG N N 58 118.159 118.159 119.639 -1.480 17952 1224 1 3 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.773 -0.179 17952 1225 1 3 . 1 1 58 58 ARG H H 58 8.250 8.250 7.511 0.739 17952 1226 1 3 . 1 1 60 60 HIS N N 60 116.957 116.957 116.276 0.681 17952 1227 1 3 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.639 -0.204 17952 1228 1 3 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.583 1.022 17952 1229 1 3 . 1 1 60 60 HIS CB C 60 29.947 29.947 30.145 -0.198 17952 1230 1 3 . 1 1 60 60 HIS H H 60 7.600 7.600 8.622 -1.022 17952 1231 1 3 . 1 1 61 61 GLU N N 61 119.542 119.542 121.346 -1.804 17952 1232 1 3 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.240 0.189 17952 1233 1 3 . 1 1 61 61 GLU CA C 61 57.628 57.628 58.883 -1.255 17952 1234 1 3 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.688 1.117 17952 1235 1 3 . 1 1 61 61 GLU H H 61 6.702 6.702 8.912 -2.210 17952 1236 1 3 . 1 1 62 62 ARG N N 62 120.227 120.227 118.995 1.232 17952 1237 1 3 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.136 -0.403 17952 1238 1 3 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.850 2.681 17952 1239 1 3 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.688 -0.076 17952 1240 1 3 . 1 1 62 62 ARG H H 62 7.951 7.951 8.429 -0.478 17952 1241 1 3 . 1 1 63 63 ASN N N 63 116.757 116.757 117.971 -1.214 17952 1242 1 3 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.540 -0.106 17952 1243 1 3 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.734 0.474 17952 1244 1 3 . 1 1 63 63 ASN CB C 63 37.825 37.825 37.786 0.039 17952 1245 1 3 . 1 1 63 63 ASN H H 63 8.365 8.365 7.723 0.642 17952 1246 1 3 . 1 1 64 64 ARG N N 64 123.093 123.093 120.956 2.137 17952 1247 1 3 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.102 -0.046 17952 1248 1 3 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.843 1.295 17952 1249 1 3 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.651 1.181 17952 1250 1 3 . 1 1 64 64 ARG H H 64 7.770 7.770 7.676 0.094 17952 1251 1 3 . 1 1 65 65 ILE N N 65 117.911 117.911 119.538 -1.627 17952 1252 1 3 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.827 -0.302 17952 1253 1 3 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.725 0.990 17952 1254 1 3 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.643 1.002 17952 1255 1 3 . 1 1 65 65 ILE H H 65 8.121 8.121 7.802 0.319 17952 1256 1 3 . 1 1 66 66 LYS N N 66 122.635 122.635 121.093 1.542 17952 1257 1 3 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.041 -0.270 17952 1258 1 3 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.654 1.281 17952 1259 1 3 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.436 -0.012 17952 1260 1 3 . 1 1 66 66 LYS H H 66 8.337 8.337 7.757 0.580 17952 1261 1 3 . 1 1 67 67 ARG N N 67 119.137 119.137 119.607 -0.470 17952 1262 1 3 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.167 -0.159 17952 1263 1 3 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.022 0.967 17952 1264 1 3 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.440 -0.405 17952 1265 1 3 . 1 1 67 67 ARG H H 67 8.257 8.257 8.349 -0.092 17952 1266 1 3 . 1 1 68 68 LEU N N 68 119.084 119.084 121.347 -2.263 17952 1267 1 3 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.121 -0.013 17952 1268 1 3 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.432 -0.410 17952 1269 1 3 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.378 0.224 17952 1270 1 3 . 1 1 68 68 LEU H H 68 8.427 8.427 8.618 -0.191 17952 1271 1 3 . 1 1 69 69 THR N N 69 118.019 118.019 111.995 6.024 17952 1272 1 3 . 1 1 69 69 THR CA C 69 67.701 67.701 65.634 2.067 17952 1273 1 3 . 1 1 69 69 THR H H 69 8.433 8.433 7.926 0.507 17952 1274 1 3 . 1 1 70 70 ARG N N 70 122.713 122.713 121.144 1.569 17952 1275 1 3 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.504 1.907 17952 1276 1 3 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.095 -0.045 17952 1277 1 3 . 1 1 70 70 ARG H H 70 8.346 8.346 7.648 0.698 17952 1278 1 3 . 1 1 71 71 GLU N N 71 118.890 118.890 120.111 -1.221 17952 1279 1 3 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.085 0.181 17952 1280 1 3 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.580 -0.099 17952 1281 1 3 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.822 -0.506 17952 1282 1 3 . 1 1 71 71 GLU H H 71 8.334 8.334 8.409 -0.075 17952 1283 1 3 . 1 1 72 72 SER N N 72 114.922 114.922 115.731 -0.809 17952 1284 1 3 . 1 1 72 72 SER HA H 72 4.243 4.243 4.096 0.147 17952 1285 1 3 . 1 1 72 72 SER CA C 72 61.292 61.292 61.599 -0.307 17952 1286 1 3 . 1 1 72 72 SER CB C 72 63.065 63.065 63.032 0.032 17952 1287 1 3 . 1 1 72 72 SER H H 72 8.205 8.205 8.178 0.027 17952 1288 1 3 . 1 1 73 73 PHE N N 73 122.665 122.665 123.723 -1.058 17952 1289 1 3 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.047 -0.938 17952 1290 1 3 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.196 0.339 17952 1291 1 3 . 1 1 73 73 PHE H H 73 7.788 7.788 8.282 -0.494 17952 1292 1 3 . 1 1 74 74 ARG N N 74 119.417 119.417 118.038 1.379 17952 1293 1 3 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.176 -0.279 17952 1294 1 3 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.466 1.735 17952 1295 1 3 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.461 -0.480 17952 1296 1 3 . 1 1 74 74 ARG H H 74 8.580 8.580 7.512 1.068 17952 1297 1 3 . 1 1 75 75 LEU N N 75 117.144 117.144 121.603 -4.459 17952 1298 1 3 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.003 0.093 17952 1299 1 3 . 1 1 75 75 LEU CA C 75 57.217 57.217 57.001 0.216 17952 1300 1 3 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.184 0.604 17952 1301 1 3 . 1 1 75 75 LEU H H 75 7.903 7.903 7.857 0.046 17952 1302 1 3 . 1 1 76 76 ARG N N 76 113.888 113.888 114.188 -0.300 17952 1303 1 3 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.154 0.269 17952 1304 1 3 . 1 1 76 76 ARG CA C 76 54.487 54.487 52.871 1.616 17952 1305 1 3 . 1 1 76 76 ARG CB C 76 31.867 31.867 27.736 4.131 17952 1306 1 3 . 1 1 76 76 ARG H H 76 6.736 6.736 7.234 -0.498 17952 1307 1 3 . 1 1 77 77 GLN N N 77 120.009 120.009 118.454 1.555 17952 1308 1 3 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.025 3.231 17952 1309 1 3 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.904 0.684 17952 1310 1 3 . 1 1 77 77 GLN H H 77 7.273 7.273 6.992 0.281 17952 1311 1 3 . 1 1 78 78 HIS N N 78 114.954 114.954 115.316 -0.362 17952 1312 1 3 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.523 -0.078 17952 1313 1 3 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.769 0.031 17952 1314 1 3 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.195 -0.793 17952 1315 1 3 . 1 1 78 78 HIS H H 78 8.389 8.389 7.895 0.494 17952 1316 1 3 . 1 1 79 79 GLU N N 79 118.231 118.231 119.107 -0.876 17952 1317 1 3 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.601 -0.194 17952 1318 1 3 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.199 -0.807 17952 1319 1 3 . 1 1 79 79 GLU CB C 79 31.296 31.296 31.733 -0.438 17952 1320 1 3 . 1 1 79 79 GLU H H 79 7.717 7.717 7.667 0.050 17952 1321 1 3 . 1 1 80 80 LEU N N 80 119.751 119.751 122.829 -3.078 17952 1322 1 3 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.970 -0.416 17952 1323 1 3 . 1 1 80 80 LEU H H 80 6.859 6.859 7.827 -0.968 17952 1324 1 3 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.457 0.114 17952 1325 1 3 . 1 1 81 81 PRO CA C 81 61.725 61.725 63.086 -1.361 17952 1326 1 3 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.247 0.085 17952 1327 1 3 . 1 1 82 82 ALA N N 82 122.525 122.525 127.928 -5.403 17952 1328 1 3 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.342 -0.584 17952 1329 1 3 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.930 -2.022 17952 1330 1 3 . 1 1 82 82 ALA H H 82 8.425 8.425 8.418 0.007 17952 1331 1 3 . 1 1 83 83 MET N N 83 122.963 122.963 118.019 4.944 17952 1332 1 3 . 1 1 83 83 MET HA H 83 4.387 4.387 4.785 -0.398 17952 1333 1 3 . 1 1 83 83 MET CA C 83 54.002 54.002 54.284 -0.282 17952 1334 1 3 . 1 1 83 83 MET CB C 83 35.655 35.655 35.781 -0.126 17952 1335 1 3 . 1 1 83 83 MET H H 83 7.851 7.851 7.886 -0.035 17952 1336 1 3 . 1 1 84 84 ASP N N 84 121.733 121.733 120.325 1.408 17952 1337 1 3 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.889 -0.137 17952 1338 1 3 . 1 1 84 84 ASP CA C 84 53.638 53.638 54.072 -0.434 17952 1339 1 3 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.376 -0.386 17952 1340 1 3 . 1 1 84 84 ASP H H 84 8.393 8.393 8.230 0.163 17952 1341 1 3 . 1 1 85 85 PHE N N 85 121.368 121.368 120.374 0.994 17952 1342 1 3 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.803 1.153 17952 1343 1 3 . 1 1 85 85 PHE CB C 85 42.080 42.080 43.463 -1.383 17952 1344 1 3 . 1 1 85 85 PHE H H 85 8.849 8.849 7.732 1.117 17952 1345 1 3 . 1 1 86 86 VAL N N 86 120.431 120.431 123.039 -2.608 17952 1346 1 3 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.492 0.124 17952 1347 1 3 . 1 1 86 86 VAL CA C 86 60.874 60.874 61.822 -0.947 17952 1348 1 3 . 1 1 86 86 VAL CB C 86 34.882 34.882 31.829 3.053 17952 1349 1 3 . 1 1 86 86 VAL H H 86 9.407 9.407 8.953 0.454 17952 1350 1 3 . 1 1 87 87 VAL N N 87 127.860 127.860 128.763 -0.903 17952 1351 1 3 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.625 -0.008 17952 1352 1 3 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.730 -0.310 17952 1353 1 3 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.180 -1.058 17952 1354 1 3 . 1 1 87 87 VAL H H 87 8.843 8.843 9.045 -0.202 17952 1355 1 3 . 1 1 88 88 VAL N N 88 128.150 128.150 127.153 0.997 17952 1356 1 3 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.749 -0.094 17952 1357 1 3 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.183 1.082 17952 1358 1 3 . 1 1 88 88 VAL CB C 88 33.439 33.439 34.748 -1.309 17952 1359 1 3 . 1 1 88 88 VAL H H 88 9.538 9.538 9.283 0.255 17952 1360 1 3 . 1 1 89 89 ALA N N 89 128.337 128.337 130.731 -2.394 17952 1361 1 3 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.545 0.059 17952 1362 1 3 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.910 0.961 17952 1363 1 3 . 1 1 89 89 ALA H H 89 8.170 8.170 8.791 -0.621 17952 1364 1 3 . 1 1 90 90 LYS N N 90 123.110 123.110 124.956 -1.846 17952 1365 1 3 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.540 -0.063 17952 1366 1 3 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.169 0.941 17952 1367 1 3 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.178 -0.723 17952 1368 1 3 . 1 1 90 90 LYS H H 90 8.231 8.231 8.005 0.226 17952 1369 1 3 . 1 1 91 91 LYS N N 91 119.291 119.291 120.597 -1.306 17952 1370 1 3 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.351 -0.303 17952 1371 1 3 . 1 1 91 91 LYS CA C 91 59.171 59.171 56.751 2.420 17952 1372 1 3 . 1 1 91 91 LYS CB C 91 32.219 32.219 29.965 2.254 17952 1373 1 3 . 1 1 91 91 LYS H H 91 8.162 8.162 8.749 -0.587 17952 1374 1 3 . 1 1 92 92 GLY N N 92 112.991 112.991 108.550 4.441 17952 1375 1 3 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.911 -0.775 17952 1376 1 3 . 1 1 92 92 GLY H H 92 8.783 8.783 8.305 0.478 17952 1377 1 3 . 1 1 93 93 VAL N N 93 122.937 122.937 118.890 4.047 17952 1378 1 3 . 1 1 93 93 VAL HA H 93 3.730 3.730 4.301 -0.571 17952 1379 1 3 . 1 1 93 93 VAL CA C 93 64.911 64.911 61.254 3.657 17952 1380 1 3 . 1 1 93 93 VAL CB C 93 29.998 29.998 32.789 -2.791 17952 1381 1 3 . 1 1 93 93 VAL H H 93 8.363 8.363 7.402 0.961 17952 1382 1 3 . 1 1 94 94 ALA N N 94 119.882 119.882 121.200 -1.318 17952 1383 1 3 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.228 -0.132 17952 1384 1 3 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.013 -0.344 17952 1385 1 3 . 1 1 94 94 ALA H H 94 7.960 7.960 7.937 0.023 17952 1386 1 3 . 1 1 95 95 ASP N N 95 114.705 114.705 119.268 -4.563 17952 1387 1 3 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.763 -0.271 17952 1388 1 3 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.536 1.325 17952 1389 1 3 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.406 -0.523 17952 1390 1 3 . 1 1 95 95 ASP H H 95 7.360 7.360 8.016 -0.656 17952 1391 1 3 . 1 1 96 96 LEU N N 96 120.424 120.424 120.938 -0.514 17952 1392 1 3 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.793 -0.335 17952 1393 1 3 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.766 0.591 17952 1394 1 3 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.877 -1.444 17952 1395 1 3 . 1 1 96 96 LEU H H 96 7.389 7.389 8.140 -0.751 17952 1396 1 3 . 1 1 97 97 ASP N N 97 123.018 123.018 120.183 2.835 17952 1397 1 3 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.702 -0.172 17952 1398 1 3 . 1 1 97 97 ASP CA C 97 52.835 52.835 52.632 0.203 17952 1399 1 3 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.757 -2.255 17952 1400 1 3 . 1 1 97 97 ASP H H 97 8.473 8.473 8.313 0.160 17952 1401 1 3 . 1 1 98 98 ASN N N 98 117.692 117.692 119.586 -1.894 17952 1402 1 3 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.440 -0.304 17952 1403 1 3 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.814 1.051 17952 1404 1 3 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.514 -1.573 17952 1405 1 3 . 1 1 98 98 ASN H H 98 8.651 8.651 8.695 -0.044 17952 1406 1 3 . 1 1 99 99 ARG N N 99 120.819 120.819 119.183 1.636 17952 1407 1 3 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.391 -0.338 17952 1408 1 3 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.145 1.353 17952 1409 1 3 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.992 -1.675 17952 1410 1 3 . 1 1 99 99 ARG H H 99 8.191 8.191 9.058 -0.867 17952 1411 1 3 . 1 1 100 100 ALA N N 100 122.928 122.928 122.888 0.040 17952 1412 1 3 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.087 0.064 17952 1413 1 3 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.998 0.051 17952 1414 1 3 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.120 0.877 17952 1415 1 3 . 1 1 100 100 ALA H H 100 8.524 8.524 7.785 0.739 17952 1416 1 3 . 1 1 101 101 LEU N N 101 120.795 120.795 114.961 5.834 17952 1417 1 3 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.228 -0.130 17952 1418 1 3 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.885 0.351 17952 1419 1 3 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.151 0.358 17952 1420 1 3 . 1 1 101 101 LEU H H 101 8.961 8.961 7.804 1.157 17952 1421 1 3 . 1 1 102 102 SER N N 102 115.314 115.314 116.259 -0.945 17952 1422 1 3 . 1 1 102 102 SER HA H 102 4.123 4.123 4.267 -0.144 17952 1423 1 3 . 1 1 102 102 SER CB C 102 62.761 62.761 63.119 -0.358 17952 1424 1 3 . 1 1 102 102 SER H H 102 8.459 8.459 7.846 0.613 17952 1425 1 3 . 1 1 103 103 GLU N N 103 122.468 122.468 121.609 0.859 17952 1426 1 3 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.127 0.003 17952 1427 1 3 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.943 0.525 17952 1428 1 3 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.406 0.122 17952 1429 1 3 . 1 1 103 103 GLU H H 103 8.492 8.492 8.286 0.206 17952 1430 1 3 . 1 1 104 104 ALA N N 104 123.159 123.159 121.163 1.996 17952 1431 1 3 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.251 -0.161 17952 1432 1 3 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.281 0.961 17952 1433 1 3 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.387 -0.560 17952 1434 1 3 . 1 1 104 104 ALA H H 104 8.074 8.074 8.098 -0.024 17952 1435 1 3 . 1 1 105 105 LEU N N 105 116.602 116.602 120.097 -3.495 17952 1436 1 3 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.009 -0.457 17952 1437 1 3 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.892 0.512 17952 1438 1 3 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.143 -0.524 17952 1439 1 3 . 1 1 105 105 LEU H H 105 8.318 8.318 7.649 0.669 17952 1440 1 3 . 1 1 106 106 GLU N N 106 117.564 117.564 117.274 0.290 17952 1441 1 3 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.210 0.022 17952 1442 1 3 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.335 1.081 17952 1443 1 3 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.885 0.040 17952 1444 1 3 . 1 1 106 106 GLU H H 106 8.009 8.009 7.949 0.060 17952 1445 1 3 . 1 1 107 107 LYS N N 107 117.286 117.286 119.694 -2.408 17952 1446 1 3 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.196 -0.222 17952 1447 1 3 . 1 1 107 107 LYS CA C 107 59.907 59.907 57.913 1.994 17952 1448 1 3 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.646 0.735 17952 1449 1 3 . 1 1 107 107 LYS H H 107 7.787 7.787 7.323 0.464 17952 1450 1 3 . 1 1 108 108 LEU N N 108 120.504 120.504 118.607 1.897 17952 1451 1 3 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.341 -0.362 17952 1452 1 3 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.496 0.321 17952 1453 1 3 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.715 0.585 17952 1454 1 3 . 1 1 108 108 LEU H H 108 7.875 7.875 7.949 -0.074 17952 1455 1 3 . 1 1 109 109 TRP N N 109 120.547 120.547 120.363 0.184 17952 1456 1 3 . 1 1 109 109 TRP CA C 109 59.887 59.887 58.391 1.496 17952 1457 1 3 . 1 1 109 109 TRP CB C 109 30.763 30.763 31.505 -0.741 17952 1458 1 3 . 1 1 109 109 TRP H H 109 9.048 9.048 7.341 1.707 17952 1459 1 3 . 1 1 110 110 ARG N N 110 117.678 117.678 120.829 -3.151 17952 1460 1 3 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.570 0.504 17952 1461 1 3 . 1 1 110 110 ARG CA C 110 60.243 60.243 60.642 -0.399 17952 1462 1 3 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.303 -0.662 17952 1463 1 3 . 1 1 110 110 ARG H H 110 8.425 8.425 8.739 -0.314 17952 1464 1 3 . 1 1 111 111 ARG N N 111 121.156 121.156 117.301 3.855 17952 1465 1 3 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.119 0.056 17952 1466 1 3 . 1 1 111 111 ARG CA C 111 59.068 59.068 57.848 1.220 17952 1467 1 3 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.797 -0.728 17952 1468 1 3 . 1 1 111 111 ARG H H 111 8.100 8.100 7.571 0.529 17952 1469 1 3 . 1 1 112 112 HIS N N 112 118.118 118.118 117.601 0.517 17952 1470 1 3 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.370 -0.067 17952 1471 1 3 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.537 2.998 17952 1472 1 3 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.552 1.365 17952 1473 1 3 . 1 1 112 112 HIS H H 112 8.250 8.250 7.706 0.544 17952 1474 1 3 . 1 1 113 113 CYS N N 113 117.579 117.579 118.686 -1.107 17952 1475 1 3 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.789 0.475 17952 1476 1 3 . 1 1 113 113 CYS CA C 113 64.136 64.136 62.859 1.277 17952 1477 1 3 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.311 -0.526 17952 1478 1 3 . 1 1 113 113 CYS H H 113 8.181 8.181 8.424 -0.243 17952 1479 1 3 . 1 1 114 114 ARG N N 114 120.172 120.172 119.087 1.085 17952 1480 1 3 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.025 0.122 17952 1481 1 3 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.356 0.694 17952 1482 1 3 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.759 0.059 17952 1483 1 3 . 1 1 114 114 ARG H H 114 7.870 7.870 7.502 0.368 17952 1484 1 3 . 1 1 115 115 LEU N N 115 120.720 120.720 118.223 2.497 17952 1485 1 3 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.464 -0.347 17952 1486 1 3 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.746 0.616 17952 1487 1 3 . 1 1 115 115 LEU CB C 115 41.902 41.902 42.468 -0.566 17952 1488 1 3 . 1 1 115 115 LEU H H 115 8.690 8.690 7.301 1.389 17952 1489 1 3 . 1 1 116 116 ALA N N 116 119.118 119.118 122.723 -3.605 17952 1490 1 3 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.316 0.051 17952 1491 1 3 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.783 0.305 17952 1492 1 3 . 1 1 116 116 ALA H H 116 7.751 7.751 8.670 -0.919 17952 1493 1 3 . 1 1 117 117 ARG N N 117 117.010 117.010 116.254 0.756 17952 1494 1 3 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.299 0.089 17952 1495 1 3 . 1 1 117 117 ARG CA C 117 57.046 57.046 56.825 0.221 17952 1496 1 3 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.778 0.080 17952 1497 1 3 . 1 1 117 117 ARG H H 117 7.602 7.602 7.760 -0.158 17952 1498 1 3 . 1 1 118 118 GLY N N 118 108.836 108.836 107.666 1.170 17952 1499 1 3 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.443 1.123 17952 1500 1 3 . 1 1 118 118 GLY H H 118 8.087 8.087 7.804 0.283 17952 1501 1 4 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.884 0.307 17952 1502 1 4 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.298 -1.332 17952 1503 1 4 . 1 1 4 4 LEU N N 4 125.667 125.667 123.909 1.758 17952 1504 1 4 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.336 0.051 17952 1505 1 4 . 1 1 4 4 LEU CA C 4 54.667 54.667 56.120 -1.453 17952 1506 1 4 . 1 1 4 4 LEU CB C 4 42.618 42.618 42.111 0.507 17952 1507 1 4 . 1 1 4 4 LEU H H 4 8.498 8.498 8.340 0.158 17952 1508 1 4 . 1 1 5 5 ALA N N 5 126.419 126.419 121.798 4.621 17952 1509 1 4 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.158 0.213 17952 1510 1 4 . 1 1 5 5 ALA CB C 5 19.337 19.337 18.137 1.200 17952 1511 1 4 . 1 1 5 5 ALA H H 5 8.435 8.435 7.819 0.616 17952 1512 1 4 . 1 1 6 6 PHE N N 6 124.718 124.718 124.752 -0.034 17952 1513 1 4 . 1 1 6 6 PHE H H 6 8.714 8.714 8.102 0.612 17952 1514 1 4 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.479 -0.243 17952 1515 1 4 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.861 0.875 17952 1516 1 4 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.530 -0.128 17952 1517 1 4 . 1 1 8 8 ARG N N 8 124.351 124.351 122.514 1.837 17952 1518 1 4 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.057 -0.273 17952 1519 1 4 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.185 1.787 17952 1520 1 4 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.163 1.093 17952 1521 1 4 . 1 1 8 8 ARG H H 8 8.650 8.650 8.813 -0.163 17952 1522 1 4 . 1 1 9 9 GLU N N 9 117.015 117.015 120.397 -3.382 17952 1523 1 4 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.152 0.089 17952 1524 1 4 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.836 -0.300 17952 1525 1 4 . 1 1 9 9 GLU CB C 9 28.286 28.286 28.920 -0.634 17952 1526 1 4 . 1 1 9 9 GLU H H 9 9.522 9.522 8.563 0.959 17952 1527 1 4 . 1 1 10 10 LEU N N 10 116.269 116.269 117.319 -1.050 17952 1528 1 4 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.305 0.377 17952 1529 1 4 . 1 1 10 10 LEU CA C 10 54.324 54.324 54.714 -0.390 17952 1530 1 4 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.225 0.080 17952 1531 1 4 . 1 1 10 10 LEU H H 10 7.285 7.285 7.570 -0.285 17952 1532 1 4 . 1 1 11 11 ARG N N 11 116.982 116.982 120.092 -3.110 17952 1533 1 4 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.057 0.988 17952 1534 1 4 . 1 1 11 11 ARG CA C 11 55.671 55.671 56.340 -0.669 17952 1535 1 4 . 1 1 11 11 ARG CB C 11 32.827 32.827 28.735 4.092 17952 1536 1 4 . 1 1 11 11 ARG H H 11 7.618 7.618 7.625 -0.007 17952 1537 1 4 . 1 1 12 12 LEU N N 12 119.127 119.127 124.524 -5.397 17952 1538 1 4 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.677 -0.348 17952 1539 1 4 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.637 0.478 17952 1540 1 4 . 1 1 12 12 LEU CB C 12 41.683 41.683 40.572 1.111 17952 1541 1 4 . 1 1 12 12 LEU H H 12 7.289 7.289 8.538 -1.249 17952 1542 1 4 . 1 1 13 13 LEU N N 13 123.181 123.181 126.226 -3.045 17952 1543 1 4 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.548 0.199 17952 1544 1 4 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.862 1.328 17952 1545 1 4 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.292 3.942 17952 1546 1 4 . 1 1 13 13 LEU H H 13 8.816 8.816 8.412 0.404 17952 1547 1 4 . 1 1 14 14 THR N N 14 111.810 111.810 117.094 -5.284 17952 1548 1 4 . 1 1 14 14 THR HA H 14 5.104 5.104 4.329 0.775 17952 1549 1 4 . 1 1 14 14 THR H H 14 8.321 8.321 8.591 -0.270 17952 1550 1 4 . 1 1 16 16 SER HA H 16 4.282 4.282 4.681 -0.399 17952 1551 1 4 . 1 1 16 16 SER CB C 16 62.228 62.228 64.665 -2.437 17952 1552 1 4 . 1 1 17 17 GLN N N 17 122.336 122.336 126.400 -4.064 17952 1553 1 4 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.064 0.014 17952 1554 1 4 . 1 1 17 17 GLN CA C 17 58.122 58.122 59.242 -1.120 17952 1555 1 4 . 1 1 17 17 GLN CB C 17 29.103 29.103 27.962 1.141 17952 1556 1 4 . 1 1 17 17 GLN H H 17 7.967 7.967 9.182 -1.216 17952 1557 1 4 . 1 1 18 18 PHE N N 18 119.658 119.658 117.370 2.288 17952 1558 1 4 . 1 1 18 18 PHE CA C 18 61.640 61.640 60.666 0.974 17952 1559 1 4 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.248 0.242 17952 1560 1 4 . 1 1 18 18 PHE H H 18 7.733 7.733 8.324 -0.591 17952 1561 1 4 . 1 1 19 19 THR N N 19 116.141 116.141 114.406 1.735 17952 1562 1 4 . 1 1 19 19 THR HA H 19 3.911 3.911 4.264 -0.353 17952 1563 1 4 . 1 1 19 19 THR CA C 19 67.058 67.058 65.099 1.959 17952 1564 1 4 . 1 1 19 19 THR CB C 19 68.790 68.790 69.186 -0.396 17952 1565 1 4 . 1 1 19 19 THR H H 19 8.622 8.622 8.002 0.620 17952 1566 1 4 . 1 1 20 20 PHE N N 20 119.904 119.904 119.830 0.074 17952 1567 1 4 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.515 -0.366 17952 1568 1 4 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.179 0.081 17952 1569 1 4 . 1 1 20 20 PHE H H 20 7.728 7.728 7.480 0.248 17952 1570 1 4 . 1 1 21 21 VAL N N 21 117.896 117.896 116.656 1.240 17952 1571 1 4 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.957 -0.875 17952 1572 1 4 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.267 2.068 17952 1573 1 4 . 1 1 21 21 VAL CB C 21 31.589 31.589 30.590 0.999 17952 1574 1 4 . 1 1 21 21 VAL H H 21 6.861 6.861 8.646 -1.785 17952 1575 1 4 . 1 1 22 22 PHE N N 22 114.352 114.352 119.874 -5.522 17952 1576 1 4 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.506 -0.495 17952 1577 1 4 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.596 -1.010 17952 1578 1 4 . 1 1 22 22 PHE H H 22 7.653 7.653 8.155 -0.502 17952 1579 1 4 . 1 1 23 23 GLN N N 23 116.245 116.245 118.950 -2.705 17952 1580 1 4 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.126 -0.093 17952 1581 1 4 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.581 0.834 17952 1582 1 4 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.135 -0.185 17952 1583 1 4 . 1 1 23 23 GLN H H 23 7.928 7.928 7.650 0.278 17952 1584 1 4 . 1 1 24 24 GLN N N 24 114.087 114.087 117.936 -3.849 17952 1585 1 4 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.768 -0.343 17952 1586 1 4 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.430 1.261 17952 1587 1 4 . 1 1 24 24 GLN CB C 24 29.457 29.457 29.175 0.282 17952 1588 1 4 . 1 1 24 24 GLN H H 24 6.731 6.731 7.790 -1.059 17952 1589 1 4 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.705 0.323 17952 1590 1 4 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.918 1.261 17952 1591 1 4 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.088 -0.511 17952 1592 1 4 . 1 1 26 26 GLN N N 26 120.107 120.107 122.172 -2.065 17952 1593 1 4 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.609 0.669 17952 1594 1 4 . 1 1 26 26 GLN CB C 26 30.556 30.556 31.205 -0.649 17952 1595 1 4 . 1 1 26 26 GLN H H 26 9.622 9.622 8.191 1.431 17952 1596 1 4 . 1 1 27 27 ARG N N 27 125.712 125.712 126.169 -0.457 17952 1597 1 4 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.462 0.758 17952 1598 1 4 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.458 0.667 17952 1599 1 4 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.517 5.124 17952 1600 1 4 . 1 1 27 27 ARG H H 27 9.068 9.068 8.784 0.284 17952 1601 1 4 . 1 1 28 28 ALA N N 28 123.402 123.402 128.857 -5.455 17952 1602 1 4 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.733 -0.219 17952 1603 1 4 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.468 0.451 17952 1604 1 4 . 1 1 28 28 ALA H H 28 8.102 8.102 8.792 -0.690 17952 1605 1 4 . 1 1 29 29 GLY N N 29 109.532 109.532 109.933 -0.401 17952 1606 1 4 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.722 1.162 17952 1607 1 4 . 1 1 29 29 GLY H H 29 8.572 8.572 8.737 -0.165 17952 1608 1 4 . 1 1 30 30 THR N N 30 113.168 113.168 113.443 -0.275 17952 1609 1 4 . 1 1 30 30 THR HA H 30 4.953 4.953 4.906 0.047 17952 1610 1 4 . 1 1 30 30 THR H H 30 9.199 9.199 7.702 1.497 17952 1611 1 4 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.632 -0.335 17952 1612 1 4 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.113 1.398 17952 1613 1 4 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.357 -1.374 17952 1614 1 4 . 1 1 32 32 GLN N N 32 110.281 110.281 115.295 -5.014 17952 1615 1 4 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.278 -0.083 17952 1616 1 4 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.888 1.590 17952 1617 1 4 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.372 -0.376 17952 1618 1 4 . 1 1 32 32 GLN H H 32 7.403 7.403 8.090 -0.687 17952 1619 1 4 . 1 1 33 33 ILE N N 33 118.254 118.254 120.590 -2.336 17952 1620 1 4 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.881 0.359 17952 1621 1 4 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.873 2.918 17952 1622 1 4 . 1 1 33 33 ILE H H 33 7.353 7.353 7.330 0.023 17952 1623 1 4 . 1 1 34 34 THR N N 34 122.650 122.650 126.400 -3.750 17952 1624 1 4 . 1 1 34 34 THR HA H 34 4.946 4.946 5.023 -0.077 17952 1625 1 4 . 1 1 34 34 THR CA C 34 61.792 61.792 62.190 -0.398 17952 1626 1 4 . 1 1 34 34 THR CB C 34 71.752 71.752 69.805 1.947 17952 1627 1 4 . 1 1 34 34 THR H H 34 8.787 8.787 8.957 -0.170 17952 1628 1 4 . 1 1 35 35 ILE N N 35 123.778 123.778 128.636 -4.858 17952 1629 1 4 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.626 0.535 17952 1630 1 4 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.804 0.909 17952 1631 1 4 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.648 1.395 17952 1632 1 4 . 1 1 35 35 ILE H H 35 9.109 9.109 8.458 0.651 17952 1633 1 4 . 1 1 36 36 LEU N N 36 132.558 132.558 128.482 4.076 17952 1634 1 4 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.809 -0.175 17952 1635 1 4 . 1 1 36 36 LEU CA C 36 53.244 53.244 52.660 0.584 17952 1636 1 4 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.957 1.541 17952 1637 1 4 . 1 1 36 36 LEU H H 36 9.500 9.500 9.087 0.413 17952 1638 1 4 . 1 1 37 37 GLY N N 37 106.940 106.940 109.647 -2.707 17952 1639 1 4 . 1 1 37 37 GLY CA C 37 45.258 45.258 46.179 -0.921 17952 1640 1 4 . 1 1 37 37 GLY H H 37 9.058 9.058 7.939 1.119 17952 1641 1 4 . 1 1 38 38 ARG N N 38 121.378 121.378 119.534 1.844 17952 1642 1 4 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.671 -0.019 17952 1643 1 4 . 1 1 38 38 ARG CA C 38 56.285 56.285 57.063 -0.778 17952 1644 1 4 . 1 1 38 38 ARG CB C 38 35.176 35.176 32.017 3.159 17952 1645 1 4 . 1 1 38 38 ARG H H 38 8.384 8.384 8.771 -0.387 17952 1646 1 4 . 1 1 39 39 LEU N N 39 129.596 129.596 120.471 9.125 17952 1647 1 4 . 1 1 39 39 LEU CB C 39 42.472 42.472 43.624 -1.153 17952 1648 1 4 . 1 1 39 39 LEU H H 39 9.030 9.030 8.244 0.786 17952 1649 1 4 . 1 1 40 40 ASN N N 40 119.921 119.921 122.749 -2.828 17952 1650 1 4 . 1 1 40 40 ASN CA C 40 51.546 51.546 53.060 -1.514 17952 1651 1 4 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.776 0.312 17952 1652 1 4 . 1 1 40 40 ASN H H 40 8.186 8.186 8.103 0.083 17952 1653 1 4 . 1 1 41 41 SER N N 41 112.600 112.600 121.357 -8.757 17952 1654 1 4 . 1 1 41 41 SER HA H 41 4.484 4.484 4.408 0.076 17952 1655 1 4 . 1 1 41 41 SER CB C 41 62.949 62.949 61.757 1.192 17952 1656 1 4 . 1 1 41 41 SER H H 41 8.646 8.646 8.657 -0.011 17952 1657 1 4 . 1 1 42 42 LEU N N 42 120.612 120.612 125.350 -4.738 17952 1658 1 4 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.232 0.102 17952 1659 1 4 . 1 1 42 42 LEU CA C 42 54.828 54.828 54.943 -0.115 17952 1660 1 4 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.667 1.046 17952 1661 1 4 . 1 1 42 42 LEU H H 42 8.538 8.538 7.985 0.553 17952 1662 1 4 . 1 1 43 43 GLY N N 43 105.922 105.922 105.984 -0.062 17952 1663 1 4 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.163 0.107 17952 1664 1 4 . 1 1 43 43 GLY H H 43 8.317 8.317 7.808 0.509 17952 1665 1 4 . 1 1 44 44 HIS N N 44 114.144 114.144 119.609 -5.465 17952 1666 1 4 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.808 0.257 17952 1667 1 4 . 1 1 44 44 HIS H H 44 7.145 7.145 7.824 -0.679 17952 1668 1 4 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.662 0.741 17952 1669 1 4 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.047 -0.486 17952 1670 1 4 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.931 1.165 17952 1671 1 4 . 1 1 46 46 ARG N N 46 116.294 116.294 123.090 -6.796 17952 1672 1 4 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.692 0.464 17952 1673 1 4 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.343 1.811 17952 1674 1 4 . 1 1 46 46 ARG CB C 46 37.970 37.970 34.514 3.456 17952 1675 1 4 . 1 1 46 46 ARG H H 46 8.919 8.919 8.168 0.751 17952 1676 1 4 . 1 1 47 47 ILE N N 47 117.069 117.069 124.840 -7.771 17952 1677 1 4 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.561 1.123 17952 1678 1 4 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.827 -1.007 17952 1679 1 4 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.284 2.428 17952 1680 1 4 . 1 1 47 47 ILE H H 47 9.106 9.106 8.850 0.256 17952 1681 1 4 . 1 1 48 48 GLY N N 48 116.903 116.903 118.685 -1.782 17952 1682 1 4 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.231 0.298 17952 1683 1 4 . 1 1 48 48 GLY H H 48 9.276 9.276 9.249 0.027 17952 1684 1 4 . 1 1 49 49 LEU N N 49 123.729 123.729 125.543 -1.814 17952 1685 1 4 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.430 1.011 17952 1686 1 4 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.354 -0.992 17952 1687 1 4 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.051 3.494 17952 1688 1 4 . 1 1 49 49 LEU H H 49 8.957 8.957 7.567 1.390 17952 1689 1 4 . 1 1 50 50 THR N N 50 120.870 120.870 125.611 -4.741 17952 1690 1 4 . 1 1 50 50 THR HA H 50 4.616 4.616 4.539 0.077 17952 1691 1 4 . 1 1 50 50 THR H H 50 9.419 9.419 9.129 0.290 17952 1692 1 4 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.239 0.117 17952 1693 1 4 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.392 -0.282 17952 1694 1 4 . 1 1 51 51 VAL CB C 51 32.291 32.291 34.490 -2.199 17952 1695 1 4 . 1 1 52 52 ALA N N 52 129.415 129.415 130.040 -0.625 17952 1696 1 4 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.054 -1.742 17952 1697 1 4 . 1 1 52 52 ALA H H 52 9.046 9.046 9.167 -0.121 17952 1698 1 4 . 1 1 53 53 LYS N N 53 125.023 125.023 117.805 7.218 17952 1699 1 4 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.256 -0.167 17952 1700 1 4 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.628 1.107 17952 1701 1 4 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.449 -0.353 17952 1702 1 4 . 1 1 53 53 LYS H H 53 8.811 8.811 8.579 0.232 17952 1703 1 4 . 1 1 54 54 LYS N N 54 114.126 114.126 118.271 -4.145 17952 1704 1 4 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.272 -0.231 17952 1705 1 4 . 1 1 54 54 LYS CA C 54 57.953 57.953 58.532 -0.579 17952 1706 1 4 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.411 -0.481 17952 1707 1 4 . 1 1 54 54 LYS H H 54 8.073 8.073 8.196 -0.123 17952 1708 1 4 . 1 1 55 55 ASN N N 55 115.234 115.234 117.291 -2.057 17952 1709 1 4 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.675 0.183 17952 1710 1 4 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.801 -1.024 17952 1711 1 4 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.498 0.031 17952 1712 1 4 . 1 1 55 55 ASN H H 55 7.434 7.434 8.253 -0.819 17952 1713 1 4 . 1 1 56 56 VAL N N 56 121.000 121.000 121.747 -0.747 17952 1714 1 4 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.312 -0.139 17952 1715 1 4 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.340 0.421 17952 1716 1 4 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.974 0.059 17952 1717 1 4 . 1 1 56 56 VAL H H 56 7.764 7.764 7.347 0.417 17952 1718 1 4 . 1 1 57 57 ARG N N 57 125.781 125.781 124.596 1.185 17952 1719 1 4 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.396 -0.196 17952 1720 1 4 . 1 1 57 57 ARG CA C 57 58.646 58.646 55.948 2.698 17952 1721 1 4 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.797 0.207 17952 1722 1 4 . 1 1 57 57 ARG H H 57 8.441 8.441 8.486 -0.045 17952 1723 1 4 . 1 1 58 58 ARG N N 58 118.159 118.159 119.560 -1.401 17952 1724 1 4 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.467 0.127 17952 1725 1 4 . 1 1 58 58 ARG H H 58 8.250 8.250 7.776 0.474 17952 1726 1 4 . 1 1 60 60 HIS N N 60 116.957 116.957 115.944 1.013 17952 1727 1 4 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.822 -0.387 17952 1728 1 4 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.017 1.588 17952 1729 1 4 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.338 0.609 17952 1730 1 4 . 1 1 60 60 HIS H H 60 7.600 7.600 8.356 -0.756 17952 1731 1 4 . 1 1 61 61 GLU N N 61 119.542 119.542 118.862 0.680 17952 1732 1 4 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.127 0.302 17952 1733 1 4 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.145 -1.517 17952 1734 1 4 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.576 1.229 17952 1735 1 4 . 1 1 61 61 GLU H H 61 6.702 6.702 8.085 -1.383 17952 1736 1 4 . 1 1 62 62 ARG N N 62 120.227 120.227 120.301 -0.074 17952 1737 1 4 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.066 -0.333 17952 1738 1 4 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.167 2.364 17952 1739 1 4 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.993 -0.381 17952 1740 1 4 . 1 1 62 62 ARG H H 62 7.951 7.951 7.645 0.306 17952 1741 1 4 . 1 1 63 63 ASN N N 63 116.757 116.757 118.394 -1.637 17952 1742 1 4 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.385 0.049 17952 1743 1 4 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.479 -0.271 17952 1744 1 4 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.322 -0.497 17952 1745 1 4 . 1 1 63 63 ASN H H 63 8.365 8.365 7.761 0.604 17952 1746 1 4 . 1 1 64 64 ARG N N 64 123.093 123.093 120.784 2.309 17952 1747 1 4 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.083 -0.027 17952 1748 1 4 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.348 0.790 17952 1749 1 4 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.128 0.704 17952 1750 1 4 . 1 1 64 64 ARG H H 64 7.770 7.770 7.601 0.169 17952 1751 1 4 . 1 1 65 65 ILE N N 65 117.911 117.911 119.130 -1.219 17952 1752 1 4 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.836 -0.311 17952 1753 1 4 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.718 0.997 17952 1754 1 4 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.976 0.669 17952 1755 1 4 . 1 1 65 65 ILE H H 65 8.121 8.121 8.472 -0.351 17952 1756 1 4 . 1 1 66 66 LYS N N 66 122.635 122.635 119.395 3.240 17952 1757 1 4 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.278 -0.507 17952 1758 1 4 . 1 1 66 66 LYS CA C 66 60.935 60.935 58.966 1.969 17952 1759 1 4 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.255 0.169 17952 1760 1 4 . 1 1 66 66 LYS H H 66 8.337 8.337 7.850 0.487 17952 1761 1 4 . 1 1 67 67 ARG N N 67 119.137 119.137 119.604 -0.467 17952 1762 1 4 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.171 -0.163 17952 1763 1 4 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.718 1.271 17952 1764 1 4 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.320 -0.284 17952 1765 1 4 . 1 1 67 67 ARG H H 67 8.257 8.257 7.564 0.693 17952 1766 1 4 . 1 1 68 68 LEU N N 68 119.084 119.084 119.234 -0.150 17952 1767 1 4 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.418 -0.310 17952 1768 1 4 . 1 1 68 68 LEU CA C 68 58.022 58.022 57.189 0.833 17952 1769 1 4 . 1 1 68 68 LEU CB C 68 41.602 41.602 42.763 -1.161 17952 1770 1 4 . 1 1 68 68 LEU H H 68 8.427 8.427 8.213 0.214 17952 1771 1 4 . 1 1 69 69 THR N N 69 118.019 118.019 113.105 4.914 17952 1772 1 4 . 1 1 69 69 THR CA C 69 67.701 67.701 65.869 1.832 17952 1773 1 4 . 1 1 69 69 THR H H 69 8.433 8.433 8.229 0.204 17952 1774 1 4 . 1 1 70 70 ARG N N 70 122.713 122.713 120.432 2.281 17952 1775 1 4 . 1 1 70 70 ARG CA C 70 61.410 61.410 57.244 4.166 17952 1776 1 4 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.194 -0.144 17952 1777 1 4 . 1 1 70 70 ARG H H 70 8.346 8.346 7.690 0.656 17952 1778 1 4 . 1 1 71 71 GLU N N 71 118.890 118.890 119.389 -0.499 17952 1779 1 4 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.300 -0.034 17952 1780 1 4 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.932 0.549 17952 1781 1 4 . 1 1 71 71 GLU CB C 71 29.316 29.316 30.785 -1.470 17952 1782 1 4 . 1 1 71 71 GLU H H 71 8.334 8.334 7.548 0.786 17952 1783 1 4 . 1 1 72 72 SER N N 72 114.922 114.922 117.082 -2.160 17952 1784 1 4 . 1 1 72 72 SER HA H 72 4.243 4.243 4.158 0.085 17952 1785 1 4 . 1 1 72 72 SER CA C 72 61.292 61.292 61.998 -0.706 17952 1786 1 4 . 1 1 72 72 SER CB C 72 63.065 63.065 63.278 -0.213 17952 1787 1 4 . 1 1 72 72 SER H H 72 8.205 8.205 8.091 0.114 17952 1788 1 4 . 1 1 73 73 PHE N N 73 122.665 122.665 119.202 3.463 17952 1789 1 4 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.530 -1.421 17952 1790 1 4 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.360 1.175 17952 1791 1 4 . 1 1 73 73 PHE H H 73 7.788 7.788 8.268 -0.480 17952 1792 1 4 . 1 1 74 74 ARG N N 74 119.417 119.417 120.348 -0.931 17952 1793 1 4 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.399 -0.502 17952 1794 1 4 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.062 1.139 17952 1795 1 4 . 1 1 74 74 ARG CB C 74 29.981 29.981 31.713 -1.732 17952 1796 1 4 . 1 1 74 74 ARG H H 74 8.580 8.580 7.429 1.151 17952 1797 1 4 . 1 1 75 75 LEU N N 75 117.144 117.144 119.814 -2.670 17952 1798 1 4 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.132 -0.036 17952 1799 1 4 . 1 1 75 75 LEU CA C 75 57.217 57.217 57.199 0.018 17952 1800 1 4 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.244 0.544 17952 1801 1 4 . 1 1 75 75 LEU H H 75 7.903 7.903 8.358 -0.455 17952 1802 1 4 . 1 1 76 76 ARG N N 76 113.888 113.888 116.536 -2.648 17952 1803 1 4 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.600 -0.177 17952 1804 1 4 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.584 -0.097 17952 1805 1 4 . 1 1 76 76 ARG CB C 76 31.867 31.867 28.784 3.083 17952 1806 1 4 . 1 1 76 76 ARG H H 76 6.736 6.736 7.537 -0.801 17952 1807 1 4 . 1 1 77 77 GLN N N 77 120.009 120.009 119.251 0.758 17952 1808 1 4 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.692 2.564 17952 1809 1 4 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.348 0.240 17952 1810 1 4 . 1 1 77 77 GLN H H 77 7.273 7.273 7.937 -0.664 17952 1811 1 4 . 1 1 78 78 HIS N N 78 114.954 114.954 115.428 -0.474 17952 1812 1 4 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.743 -0.298 17952 1813 1 4 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.150 1.650 17952 1814 1 4 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.446 -0.044 17952 1815 1 4 . 1 1 78 78 HIS H H 78 8.389 8.389 8.285 0.104 17952 1816 1 4 . 1 1 79 79 GLU N N 79 118.231 118.231 118.752 -0.521 17952 1817 1 4 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.493 -0.086 17952 1818 1 4 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.493 -0.101 17952 1819 1 4 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.649 1.647 17952 1820 1 4 . 1 1 79 79 GLU H H 79 7.717 7.717 7.820 -0.103 17952 1821 1 4 . 1 1 80 80 LEU N N 80 119.751 119.751 113.272 6.479 17952 1822 1 4 . 1 1 80 80 LEU HA H 80 4.554 4.554 5.054 -0.500 17952 1823 1 4 . 1 1 80 80 LEU H H 80 6.859 6.859 7.277 -0.418 17952 1824 1 4 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.535 0.036 17952 1825 1 4 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.287 -0.562 17952 1826 1 4 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.257 0.075 17952 1827 1 4 . 1 1 82 82 ALA N N 82 122.525 122.525 121.331 1.194 17952 1828 1 4 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.268 -0.510 17952 1829 1 4 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.119 -1.212 17952 1830 1 4 . 1 1 82 82 ALA H H 82 8.425 8.425 8.378 0.047 17952 1831 1 4 . 1 1 83 83 MET N N 83 122.963 122.963 117.891 5.072 17952 1832 1 4 . 1 1 83 83 MET HA H 83 4.387 4.387 5.287 -0.900 17952 1833 1 4 . 1 1 83 83 MET CA C 83 54.002 54.002 51.902 2.100 17952 1834 1 4 . 1 1 83 83 MET CB C 83 35.655 35.655 35.523 0.133 17952 1835 1 4 . 1 1 83 83 MET H H 83 7.851 7.851 7.774 0.077 17952 1836 1 4 . 1 1 84 84 ASP N N 84 121.733 121.733 120.185 1.548 17952 1837 1 4 . 1 1 84 84 ASP HA H 84 4.752 4.752 5.023 -0.271 17952 1838 1 4 . 1 1 84 84 ASP CA C 84 53.638 53.638 52.382 1.256 17952 1839 1 4 . 1 1 84 84 ASP CB C 84 41.990 41.990 43.405 -1.415 17952 1840 1 4 . 1 1 84 84 ASP H H 84 8.393 8.393 8.105 0.288 17952 1841 1 4 . 1 1 85 85 PHE N N 85 121.368 121.368 117.796 3.572 17952 1842 1 4 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.738 1.218 17952 1843 1 4 . 1 1 85 85 PHE CB C 85 42.080 42.080 43.134 -1.054 17952 1844 1 4 . 1 1 85 85 PHE H H 85 8.849 8.849 8.536 0.313 17952 1845 1 4 . 1 1 86 86 VAL N N 86 120.431 120.431 122.345 -1.914 17952 1846 1 4 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.440 0.176 17952 1847 1 4 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.996 -0.122 17952 1848 1 4 . 1 1 86 86 VAL CB C 86 34.882 34.882 33.436 1.446 17952 1849 1 4 . 1 1 86 86 VAL H H 86 9.407 9.407 8.603 0.804 17952 1850 1 4 . 1 1 87 87 VAL N N 87 127.860 127.860 129.405 -1.545 17952 1851 1 4 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.846 -0.230 17952 1852 1 4 . 1 1 87 87 VAL CA C 87 61.420 61.420 60.736 0.684 17952 1853 1 4 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.330 -0.208 17952 1854 1 4 . 1 1 87 87 VAL H H 87 8.843 8.843 8.754 0.089 17952 1855 1 4 . 1 1 88 88 VAL N N 88 128.150 128.150 128.709 -0.559 17952 1856 1 4 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.918 -0.263 17952 1857 1 4 . 1 1 88 88 VAL CA C 88 61.265 61.265 59.990 1.275 17952 1858 1 4 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.907 0.532 17952 1859 1 4 . 1 1 88 88 VAL H H 88 9.538 9.538 9.258 0.280 17952 1860 1 4 . 1 1 89 89 ALA N N 89 128.337 128.337 131.724 -3.387 17952 1861 1 4 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.549 0.055 17952 1862 1 4 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.535 0.336 17952 1863 1 4 . 1 1 89 89 ALA H H 89 8.170 8.170 8.194 -0.024 17952 1864 1 4 . 1 1 90 90 LYS N N 90 123.110 123.110 120.687 2.423 17952 1865 1 4 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.503 -0.026 17952 1866 1 4 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.018 1.092 17952 1867 1 4 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.782 -0.327 17952 1868 1 4 . 1 1 90 90 LYS H H 90 8.231 8.231 8.476 -0.245 17952 1869 1 4 . 1 1 91 91 LYS N N 91 119.291 119.291 120.252 -0.961 17952 1870 1 4 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.299 -0.251 17952 1871 1 4 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.326 1.845 17952 1872 1 4 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.254 -0.035 17952 1873 1 4 . 1 1 91 91 LYS H H 91 8.162 8.162 8.443 -0.281 17952 1874 1 4 . 1 1 92 92 GLY N N 92 112.991 112.991 115.043 -2.052 17952 1875 1 4 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.189 -0.053 17952 1876 1 4 . 1 1 92 92 GLY H H 92 8.783 8.783 8.338 0.445 17952 1877 1 4 . 1 1 93 93 VAL N N 93 122.937 122.937 123.537 -0.600 17952 1878 1 4 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.844 -0.114 17952 1879 1 4 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.131 -0.220 17952 1880 1 4 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.798 -1.800 17952 1881 1 4 . 1 1 93 93 VAL H H 93 8.363 8.363 7.434 0.929 17952 1882 1 4 . 1 1 94 94 ALA N N 94 119.882 119.882 118.038 1.844 17952 1883 1 4 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.213 -0.117 17952 1884 1 4 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.729 -0.059 17952 1885 1 4 . 1 1 94 94 ALA H H 94 7.960 7.960 8.344 -0.384 17952 1886 1 4 . 1 1 95 95 ASP N N 95 114.705 114.705 117.524 -2.819 17952 1887 1 4 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.859 -0.367 17952 1888 1 4 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.516 1.345 17952 1889 1 4 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.580 -0.697 17952 1890 1 4 . 1 1 95 95 ASP H H 95 7.360 7.360 7.848 -0.488 17952 1891 1 4 . 1 1 96 96 LEU N N 96 120.424 120.424 120.768 -0.344 17952 1892 1 4 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.619 -0.161 17952 1893 1 4 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.950 0.407 17952 1894 1 4 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.931 -1.498 17952 1895 1 4 . 1 1 96 96 LEU H H 96 7.389 7.389 7.318 0.071 17952 1896 1 4 . 1 1 97 97 ASP N N 97 123.018 123.018 122.238 0.780 17952 1897 1 4 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.536 -0.006 17952 1898 1 4 . 1 1 97 97 ASP CA C 97 52.835 52.835 55.376 -2.541 17952 1899 1 4 . 1 1 97 97 ASP CB C 97 40.502 40.502 41.578 -1.076 17952 1900 1 4 . 1 1 97 97 ASP H H 97 8.473 8.473 8.679 -0.206 17952 1901 1 4 . 1 1 98 98 ASN N N 98 117.692 117.692 121.679 -3.987 17952 1902 1 4 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.364 -0.228 17952 1903 1 4 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.315 0.550 17952 1904 1 4 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.645 -1.705 17952 1905 1 4 . 1 1 98 98 ASN H H 98 8.651 8.651 8.912 -0.261 17952 1906 1 4 . 1 1 99 99 ARG N N 99 120.819 120.819 120.949 -0.130 17952 1907 1 4 . 1 1 99 99 ARG HA H 99 4.053 4.053 3.961 0.092 17952 1908 1 4 . 1 1 99 99 ARG CA C 99 59.498 59.498 59.619 -0.121 17952 1909 1 4 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.100 -0.783 17952 1910 1 4 . 1 1 99 99 ARG H H 99 8.191 8.191 8.543 -0.352 17952 1911 1 4 . 1 1 100 100 ALA N N 100 122.928 122.928 120.646 2.282 17952 1912 1 4 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.151 0.000 17952 1913 1 4 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.701 0.348 17952 1914 1 4 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.000 0.997 17952 1915 1 4 . 1 1 100 100 ALA H H 100 8.524 8.524 8.186 0.338 17952 1916 1 4 . 1 1 101 101 LEU N N 101 120.795 120.795 118.821 1.974 17952 1917 1 4 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.969 0.129 17952 1918 1 4 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.404 0.831 17952 1919 1 4 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.611 -0.102 17952 1920 1 4 . 1 1 101 101 LEU H H 101 8.961 8.961 7.871 1.090 17952 1921 1 4 . 1 1 102 102 SER N N 102 115.314 115.314 114.343 0.971 17952 1922 1 4 . 1 1 102 102 SER HA H 102 4.123 4.123 4.030 0.093 17952 1923 1 4 . 1 1 102 102 SER CB C 102 62.761 62.761 63.051 -0.290 17952 1924 1 4 . 1 1 102 102 SER H H 102 8.459 8.459 8.235 0.224 17952 1925 1 4 . 1 1 103 103 GLU N N 103 122.468 122.468 119.943 2.525 17952 1926 1 4 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.056 0.074 17952 1927 1 4 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.818 0.650 17952 1928 1 4 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.473 0.055 17952 1929 1 4 . 1 1 103 103 GLU H H 103 8.492 8.492 8.025 0.467 17952 1930 1 4 . 1 1 104 104 ALA N N 104 123.159 123.159 121.755 1.404 17952 1931 1 4 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.146 -0.056 17952 1932 1 4 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.541 0.701 17952 1933 1 4 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.400 -0.573 17952 1934 1 4 . 1 1 104 104 ALA H H 104 8.074 8.074 7.931 0.143 17952 1935 1 4 . 1 1 105 105 LEU N N 105 116.602 116.602 120.077 -3.475 17952 1936 1 4 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.889 -0.337 17952 1937 1 4 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.333 0.071 17952 1938 1 4 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.013 -0.394 17952 1939 1 4 . 1 1 105 105 LEU H H 105 8.318 8.318 7.821 0.497 17952 1940 1 4 . 1 1 106 106 GLU N N 106 117.564 117.564 117.318 0.246 17952 1941 1 4 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.160 0.072 17952 1942 1 4 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.411 1.005 17952 1943 1 4 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.738 0.187 17952 1944 1 4 . 1 1 106 106 GLU H H 106 8.009 8.009 8.320 -0.311 17952 1945 1 4 . 1 1 107 107 LYS N N 107 117.286 117.286 119.633 -2.347 17952 1946 1 4 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.183 -0.209 17952 1947 1 4 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.133 1.774 17952 1948 1 4 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.617 0.764 17952 1949 1 4 . 1 1 107 107 LYS H H 107 7.787 7.787 7.289 0.498 17952 1950 1 4 . 1 1 108 108 LEU N N 108 120.504 120.504 121.223 -0.719 17952 1951 1 4 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.069 -0.090 17952 1952 1 4 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.868 -0.051 17952 1953 1 4 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.512 0.788 17952 1954 1 4 . 1 1 108 108 LEU H H 108 7.875 7.875 8.041 -0.166 17952 1955 1 4 . 1 1 109 109 TRP N N 109 120.547 120.547 120.358 0.189 17952 1956 1 4 . 1 1 109 109 TRP CA C 109 59.887 59.887 62.227 -2.340 17952 1957 1 4 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.061 1.702 17952 1958 1 4 . 1 1 109 109 TRP H H 109 9.048 9.048 8.399 0.649 17952 1959 1 4 . 1 1 110 110 ARG N N 110 117.678 117.678 117.464 0.214 17952 1960 1 4 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.489 0.585 17952 1961 1 4 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.559 0.684 17952 1962 1 4 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.947 -0.306 17952 1963 1 4 . 1 1 110 110 ARG H H 110 8.425 8.425 7.854 0.571 17952 1964 1 4 . 1 1 111 111 ARG N N 111 121.156 121.156 119.282 1.874 17952 1965 1 4 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.092 0.083 17952 1966 1 4 . 1 1 111 111 ARG CA C 111 59.068 59.068 57.946 1.122 17952 1967 1 4 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.366 -0.296 17952 1968 1 4 . 1 1 111 111 ARG H H 111 8.100 8.100 7.695 0.405 17952 1969 1 4 . 1 1 112 112 HIS N N 112 118.118 118.118 119.634 -1.516 17952 1970 1 4 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.148 0.155 17952 1971 1 4 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.980 1.555 17952 1972 1 4 . 1 1 112 112 HIS CB C 112 31.917 31.917 29.955 1.962 17952 1973 1 4 . 1 1 112 112 HIS H H 112 8.250 8.250 8.484 -0.234 17952 1974 1 4 . 1 1 113 113 CYS N N 113 117.579 117.579 118.587 -1.008 17952 1975 1 4 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.070 0.194 17952 1976 1 4 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.746 2.390 17952 1977 1 4 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.713 -0.928 17952 1978 1 4 . 1 1 113 113 CYS H H 113 8.181 8.181 7.919 0.262 17952 1979 1 4 . 1 1 114 114 ARG N N 114 120.172 120.172 118.780 1.392 17952 1980 1 4 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.010 0.137 17952 1981 1 4 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.402 0.648 17952 1982 1 4 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.709 0.109 17952 1983 1 4 . 1 1 114 114 ARG H H 114 7.870 7.870 7.696 0.174 17952 1984 1 4 . 1 1 115 115 LEU N N 115 120.720 120.720 119.534 1.186 17952 1985 1 4 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.226 -0.109 17952 1986 1 4 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.023 0.339 17952 1987 1 4 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.700 0.202 17952 1988 1 4 . 1 1 115 115 LEU H H 115 8.690 8.690 7.897 0.793 17952 1989 1 4 . 1 1 116 116 ALA N N 116 119.118 119.118 122.002 -2.884 17952 1990 1 4 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.211 0.156 17952 1991 1 4 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.799 0.289 17952 1992 1 4 . 1 1 116 116 ALA H H 116 7.751 7.751 7.643 0.108 17952 1993 1 4 . 1 1 117 117 ARG N N 117 117.010 117.010 117.149 -0.139 17952 1994 1 4 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.383 0.005 17952 1995 1 4 . 1 1 117 117 ARG CA C 117 57.046 57.046 56.132 0.914 17952 1996 1 4 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.681 0.177 17952 1997 1 4 . 1 1 117 117 ARG H H 117 7.602 7.602 7.920 -0.318 17952 1998 1 4 . 1 1 118 118 GLY N N 118 108.836 108.836 107.343 1.493 17952 1999 1 4 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.698 0.868 17952 2000 1 4 . 1 1 118 118 GLY H H 118 8.087 8.087 7.366 0.721 17952 2001 1 5 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.192 0.999 17952 2002 1 5 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.290 -0.324 17952 2003 1 5 . 1 1 4 4 LEU N N 4 125.667 125.667 127.599 -1.932 17952 2004 1 5 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.472 -0.085 17952 2005 1 5 . 1 1 4 4 LEU CA C 4 54.667 54.667 54.430 0.237 17952 2006 1 5 . 1 1 4 4 LEU CB C 4 42.618 42.618 42.803 -0.185 17952 2007 1 5 . 1 1 4 4 LEU H H 4 8.498 8.498 8.796 -0.298 17952 2008 1 5 . 1 1 5 5 ALA N N 5 126.419 126.419 130.196 -3.777 17952 2009 1 5 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.444 -0.073 17952 2010 1 5 . 1 1 5 5 ALA CB C 5 19.337 19.337 18.839 0.498 17952 2011 1 5 . 1 1 5 5 ALA H H 5 8.435 8.435 8.447 -0.012 17952 2012 1 5 . 1 1 6 6 PHE N N 6 124.718 124.718 123.554 1.164 17952 2013 1 5 . 1 1 6 6 PHE H H 6 8.714 8.714 7.779 0.935 17952 2014 1 5 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.451 -0.215 17952 2015 1 5 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.295 1.441 17952 2016 1 5 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.609 -0.207 17952 2017 1 5 . 1 1 8 8 ARG N N 8 124.351 124.351 120.124 4.227 17952 2018 1 5 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.106 -0.322 17952 2019 1 5 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.202 1.770 17952 2020 1 5 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.559 0.697 17952 2021 1 5 . 1 1 8 8 ARG H H 8 8.650 8.650 8.741 -0.091 17952 2022 1 5 . 1 1 9 9 GLU N N 9 117.015 117.015 118.294 -1.279 17952 2023 1 5 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.340 -0.099 17952 2024 1 5 . 1 1 9 9 GLU CA C 9 58.536 58.536 56.435 2.101 17952 2025 1 5 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.500 -1.214 17952 2026 1 5 . 1 1 9 9 GLU H H 9 9.522 9.522 8.420 1.102 17952 2027 1 5 . 1 1 10 10 LEU N N 10 116.269 116.269 122.416 -6.147 17952 2028 1 5 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.437 0.245 17952 2029 1 5 . 1 1 10 10 LEU CA C 10 54.324 54.324 54.817 -0.493 17952 2030 1 5 . 1 1 10 10 LEU CB C 10 42.305 42.305 40.800 1.505 17952 2031 1 5 . 1 1 10 10 LEU H H 10 7.285 7.285 7.636 -0.351 17952 2032 1 5 . 1 1 11 11 ARG N N 11 116.982 116.982 123.858 -6.876 17952 2033 1 5 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.545 0.500 17952 2034 1 5 . 1 1 11 11 ARG CA C 11 55.671 55.671 54.383 1.288 17952 2035 1 5 . 1 1 11 11 ARG CB C 11 32.827 32.827 31.520 1.307 17952 2036 1 5 . 1 1 11 11 ARG H H 11 7.618 7.618 7.872 -0.254 17952 2037 1 5 . 1 1 12 12 LEU N N 12 119.127 119.127 121.778 -2.651 17952 2038 1 5 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.402 -0.073 17952 2039 1 5 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.866 -0.751 17952 2040 1 5 . 1 1 12 12 LEU CB C 12 41.683 41.683 39.832 1.851 17952 2041 1 5 . 1 1 12 12 LEU H H 12 7.289 7.289 8.536 -1.247 17952 2042 1 5 . 1 1 13 13 LEU N N 13 123.181 123.181 127.296 -4.115 17952 2043 1 5 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.492 0.255 17952 2044 1 5 . 1 1 13 13 LEU CA C 13 56.190 56.190 56.098 0.092 17952 2045 1 5 . 1 1 13 13 LEU CB C 13 46.234 46.234 43.012 3.222 17952 2046 1 5 . 1 1 13 13 LEU H H 13 8.816 8.816 8.547 0.269 17952 2047 1 5 . 1 1 14 14 THR N N 14 111.810 111.810 111.032 0.778 17952 2048 1 5 . 1 1 14 14 THR HA H 14 5.104 5.104 4.574 0.530 17952 2049 1 5 . 1 1 14 14 THR H H 14 8.321 8.321 7.822 0.499 17952 2050 1 5 . 1 1 16 16 SER HA H 16 4.282 4.282 4.416 -0.134 17952 2051 1 5 . 1 1 16 16 SER CB C 16 62.228 62.228 63.542 -1.314 17952 2052 1 5 . 1 1 17 17 GLN N N 17 122.336 122.336 128.448 -6.112 17952 2053 1 5 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.250 -0.172 17952 2054 1 5 . 1 1 17 17 GLN CA C 17 58.122 58.122 57.767 0.355 17952 2055 1 5 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.224 0.879 17952 2056 1 5 . 1 1 17 17 GLN H H 17 7.967 7.967 8.940 -0.973 17952 2057 1 5 . 1 1 18 18 PHE N N 18 119.658 119.658 118.629 1.029 17952 2058 1 5 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.236 0.404 17952 2059 1 5 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.573 -0.083 17952 2060 1 5 . 1 1 18 18 PHE H H 18 7.733 7.733 7.970 -0.237 17952 2061 1 5 . 1 1 19 19 THR N N 19 116.141 116.141 114.052 2.089 17952 2062 1 5 . 1 1 19 19 THR HA H 19 3.911 3.911 4.439 -0.528 17952 2063 1 5 . 1 1 19 19 THR CA C 19 67.058 67.058 64.257 2.801 17952 2064 1 5 . 1 1 19 19 THR CB C 19 68.790 68.790 70.081 -1.291 17952 2065 1 5 . 1 1 19 19 THR H H 19 8.622 8.622 7.740 0.882 17952 2066 1 5 . 1 1 20 20 PHE N N 20 119.904 119.904 122.328 -2.424 17952 2067 1 5 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.282 -0.133 17952 2068 1 5 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.596 -0.337 17952 2069 1 5 . 1 1 20 20 PHE H H 20 7.728 7.728 7.773 -0.045 17952 2070 1 5 . 1 1 21 21 VAL N N 21 117.896 117.896 114.219 3.677 17952 2071 1 5 . 1 1 21 21 VAL HA H 21 3.082 3.082 4.000 -0.918 17952 2072 1 5 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.185 2.151 17952 2073 1 5 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.890 -0.301 17952 2074 1 5 . 1 1 21 21 VAL H H 21 6.861 6.861 8.323 -1.462 17952 2075 1 5 . 1 1 22 22 PHE N N 22 114.352 114.352 120.922 -6.570 17952 2076 1 5 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.353 -0.342 17952 2077 1 5 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.940 -0.355 17952 2078 1 5 . 1 1 22 22 PHE H H 22 7.653 7.653 8.051 -0.398 17952 2079 1 5 . 1 1 23 23 GLN N N 23 116.245 116.245 117.752 -1.507 17952 2080 1 5 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.975 0.058 17952 2081 1 5 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.776 0.639 17952 2082 1 5 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.793 0.157 17952 2083 1 5 . 1 1 23 23 GLN H H 23 7.928 7.928 8.186 -0.258 17952 2084 1 5 . 1 1 24 24 GLN N N 24 114.087 114.087 117.489 -3.402 17952 2085 1 5 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.629 -0.204 17952 2086 1 5 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.129 1.562 17952 2087 1 5 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.316 -0.859 17952 2088 1 5 . 1 1 24 24 GLN H H 24 6.731 6.731 7.475 -0.744 17952 2089 1 5 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.565 0.463 17952 2090 1 5 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.731 0.448 17952 2091 1 5 . 1 1 25 25 PRO CB C 25 32.577 32.577 31.411 1.166 17952 2092 1 5 . 1 1 26 26 GLN N N 26 120.107 120.107 125.710 -5.603 17952 2093 1 5 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.546 -0.267 17952 2094 1 5 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.404 1.152 17952 2095 1 5 . 1 1 26 26 GLN H H 26 9.622 9.622 8.853 0.769 17952 2096 1 5 . 1 1 27 27 ARG N N 27 125.712 125.712 127.000 -1.288 17952 2097 1 5 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.323 0.897 17952 2098 1 5 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.867 0.258 17952 2099 1 5 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.094 4.547 17952 2100 1 5 . 1 1 27 27 ARG H H 27 9.068 9.068 8.749 0.319 17952 2101 1 5 . 1 1 28 28 ALA N N 28 123.402 123.402 128.169 -4.767 17952 2102 1 5 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.921 -0.407 17952 2103 1 5 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.344 -0.425 17952 2104 1 5 . 1 1 28 28 ALA H H 28 8.102 8.102 8.758 -0.656 17952 2105 1 5 . 1 1 29 29 GLY N N 29 109.532 109.532 107.827 1.705 17952 2106 1 5 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.925 1.959 17952 2107 1 5 . 1 1 29 29 GLY H H 29 8.572 8.572 8.566 0.006 17952 2108 1 5 . 1 1 30 30 THR N N 30 113.168 113.168 117.513 -4.345 17952 2109 1 5 . 1 1 30 30 THR HA H 30 4.953 4.953 4.852 0.101 17952 2110 1 5 . 1 1 30 30 THR H H 30 9.199 9.199 8.241 0.958 17952 2111 1 5 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.215 0.082 17952 2112 1 5 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.687 -0.176 17952 2113 1 5 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.029 -1.046 17952 2114 1 5 . 1 1 32 32 GLN N N 32 110.281 110.281 116.779 -6.498 17952 2115 1 5 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.206 -0.011 17952 2116 1 5 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.684 0.794 17952 2117 1 5 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.070 -0.074 17952 2118 1 5 . 1 1 32 32 GLN H H 32 7.403 7.403 8.398 -0.995 17952 2119 1 5 . 1 1 33 33 ILE N N 33 118.254 118.254 116.938 1.316 17952 2120 1 5 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.537 0.703 17952 2121 1 5 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.944 2.846 17952 2122 1 5 . 1 1 33 33 ILE H H 33 7.353 7.353 7.694 -0.341 17952 2123 1 5 . 1 1 34 34 THR N N 34 122.650 122.650 126.352 -3.702 17952 2124 1 5 . 1 1 34 34 THR HA H 34 4.946 4.946 4.805 0.141 17952 2125 1 5 . 1 1 34 34 THR CA C 34 61.792 61.792 62.327 -0.535 17952 2126 1 5 . 1 1 34 34 THR CB C 34 71.752 71.752 69.898 1.854 17952 2127 1 5 . 1 1 34 34 THR H H 34 8.787 8.787 9.008 -0.222 17952 2128 1 5 . 1 1 35 35 ILE N N 35 123.778 123.778 128.064 -4.286 17952 2129 1 5 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.545 0.616 17952 2130 1 5 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.660 1.053 17952 2131 1 5 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.911 1.132 17952 2132 1 5 . 1 1 35 35 ILE H H 35 9.109 9.109 9.050 0.059 17952 2133 1 5 . 1 1 36 36 LEU N N 36 132.558 132.558 127.456 5.102 17952 2134 1 5 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.555 0.079 17952 2135 1 5 . 1 1 36 36 LEU CA C 36 53.244 53.244 52.917 0.327 17952 2136 1 5 . 1 1 36 36 LEU CB C 36 44.498 44.498 44.941 -0.442 17952 2137 1 5 . 1 1 36 36 LEU H H 36 9.500 9.500 8.640 0.860 17952 2138 1 5 . 1 1 37 37 GLY N N 37 106.940 106.940 107.476 -0.536 17952 2139 1 5 . 1 1 37 37 GLY CA C 37 45.258 45.258 45.472 -0.214 17952 2140 1 5 . 1 1 37 37 GLY H H 37 9.058 9.058 7.840 1.218 17952 2141 1 5 . 1 1 38 38 ARG N N 38 121.378 121.378 120.186 1.192 17952 2142 1 5 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.809 -0.157 17952 2143 1 5 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.684 0.601 17952 2144 1 5 . 1 1 38 38 ARG CB C 38 35.176 35.176 32.578 2.598 17952 2145 1 5 . 1 1 38 38 ARG H H 38 8.384 8.384 8.368 0.016 17952 2146 1 5 . 1 1 39 39 LEU N N 39 129.596 129.596 118.983 10.613 17952 2147 1 5 . 1 1 39 39 LEU CB C 39 42.472 42.472 42.868 -0.396 17952 2148 1 5 . 1 1 39 39 LEU H H 39 9.030 9.030 7.993 1.037 17952 2149 1 5 . 1 1 40 40 ASN N N 40 119.921 119.921 122.269 -2.348 17952 2150 1 5 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.391 -0.845 17952 2151 1 5 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.156 -0.068 17952 2152 1 5 . 1 1 40 40 ASN H H 40 8.186 8.186 8.161 0.025 17952 2153 1 5 . 1 1 41 41 SER N N 41 112.600 112.600 117.670 -5.070 17952 2154 1 5 . 1 1 41 41 SER HA H 41 4.484 4.484 4.626 -0.142 17952 2155 1 5 . 1 1 41 41 SER CB C 41 62.949 62.949 62.292 0.657 17952 2156 1 5 . 1 1 41 41 SER H H 41 8.646 8.646 8.667 -0.021 17952 2157 1 5 . 1 1 42 42 LEU N N 42 120.612 120.612 124.869 -4.257 17952 2158 1 5 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.561 -0.227 17952 2159 1 5 . 1 1 42 42 LEU CA C 42 54.828 54.828 54.579 0.249 17952 2160 1 5 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.299 1.414 17952 2161 1 5 . 1 1 42 42 LEU H H 42 8.538 8.538 8.399 0.139 17952 2162 1 5 . 1 1 43 43 GLY N N 43 105.922 105.922 108.020 -2.098 17952 2163 1 5 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.777 -0.506 17952 2164 1 5 . 1 1 43 43 GLY H H 43 8.317 8.317 8.078 0.239 17952 2165 1 5 . 1 1 44 44 HIS N N 44 114.144 114.144 121.022 -6.878 17952 2166 1 5 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.953 0.112 17952 2167 1 5 . 1 1 44 44 HIS H H 44 7.145 7.145 7.746 -0.601 17952 2168 1 5 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.550 0.853 17952 2169 1 5 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.555 -0.994 17952 2170 1 5 . 1 1 45 45 PRO CB C 45 33.097 33.097 32.661 0.436 17952 2171 1 5 . 1 1 46 46 ARG N N 46 116.294 116.294 124.168 -7.874 17952 2172 1 5 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.785 0.371 17952 2173 1 5 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.938 1.216 17952 2174 1 5 . 1 1 46 46 ARG CB C 46 37.970 37.970 34.432 3.538 17952 2175 1 5 . 1 1 46 46 ARG H H 46 8.919 8.919 8.714 0.205 17952 2176 1 5 . 1 1 47 47 ILE N N 47 117.069 117.069 123.054 -5.985 17952 2177 1 5 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.470 1.214 17952 2178 1 5 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.357 -0.537 17952 2179 1 5 . 1 1 47 47 ILE CB C 47 41.712 41.712 41.339 0.373 17952 2180 1 5 . 1 1 47 47 ILE H H 47 9.106 9.106 8.470 0.636 17952 2181 1 5 . 1 1 48 48 GLY N N 48 116.903 116.903 116.663 0.240 17952 2182 1 5 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.127 0.402 17952 2183 1 5 . 1 1 48 48 GLY H H 48 9.276 9.276 8.666 0.610 17952 2184 1 5 . 1 1 49 49 LEU N N 49 123.729 123.729 128.310 -4.581 17952 2185 1 5 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.856 0.585 17952 2186 1 5 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.443 -0.081 17952 2187 1 5 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.972 2.573 17952 2188 1 5 . 1 1 49 49 LEU H H 49 8.957 8.957 8.659 0.298 17952 2189 1 5 . 1 1 50 50 THR N N 50 120.870 120.870 124.727 -3.857 17952 2190 1 5 . 1 1 50 50 THR HA H 50 4.616 4.616 4.619 -0.003 17952 2191 1 5 . 1 1 50 50 THR H H 50 9.419 9.419 9.092 0.327 17952 2192 1 5 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.237 0.119 17952 2193 1 5 . 1 1 51 51 VAL CA C 51 60.110 60.110 59.856 0.254 17952 2194 1 5 . 1 1 51 51 VAL CB C 51 32.291 32.291 35.100 -2.809 17952 2195 1 5 . 1 1 52 52 ALA N N 52 129.415 129.415 130.137 -0.722 17952 2196 1 5 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.771 -2.459 17952 2197 1 5 . 1 1 52 52 ALA H H 52 9.046 9.046 9.378 -0.332 17952 2198 1 5 . 1 1 53 53 LYS N N 53 125.023 125.023 118.608 6.415 17952 2199 1 5 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.248 -0.159 17952 2200 1 5 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.502 1.233 17952 2201 1 5 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.312 -0.216 17952 2202 1 5 . 1 1 53 53 LYS H H 53 8.811 8.811 8.547 0.264 17952 2203 1 5 . 1 1 54 54 LYS N N 54 114.126 114.126 113.846 0.280 17952 2204 1 5 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.419 -0.378 17952 2205 1 5 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.940 1.013 17952 2206 1 5 . 1 1 54 54 LYS CB C 54 31.930 31.930 33.017 -1.087 17952 2207 1 5 . 1 1 54 54 LYS H H 54 8.073 8.073 7.772 0.301 17952 2208 1 5 . 1 1 55 55 ASN N N 55 115.234 115.234 118.302 -3.068 17952 2209 1 5 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.707 0.151 17952 2210 1 5 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.322 -0.544 17952 2211 1 5 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.231 -0.702 17952 2212 1 5 . 1 1 55 55 ASN H H 55 7.434 7.434 7.696 -0.262 17952 2213 1 5 . 1 1 56 56 VAL N N 56 121.000 121.000 121.422 -0.422 17952 2214 1 5 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.310 -0.137 17952 2215 1 5 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.666 0.095 17952 2216 1 5 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.441 0.592 17952 2217 1 5 . 1 1 56 56 VAL H H 56 7.764 7.764 7.322 0.442 17952 2218 1 5 . 1 1 57 57 ARG N N 57 125.781 125.781 124.605 1.176 17952 2219 1 5 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.428 -0.228 17952 2220 1 5 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.036 2.610 17952 2221 1 5 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.742 0.262 17952 2222 1 5 . 1 1 57 57 ARG H H 57 8.441 8.441 8.540 -0.099 17952 2223 1 5 . 1 1 58 58 ARG N N 58 118.159 118.159 118.981 -0.822 17952 2224 1 5 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.524 0.070 17952 2225 1 5 . 1 1 58 58 ARG H H 58 8.250 8.250 7.753 0.497 17952 2226 1 5 . 1 1 60 60 HIS N N 60 116.957 116.957 117.208 -0.251 17952 2227 1 5 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.298 0.137 17952 2228 1 5 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.660 -0.055 17952 2229 1 5 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.619 0.328 17952 2230 1 5 . 1 1 60 60 HIS H H 60 7.600 7.600 8.181 -0.581 17952 2231 1 5 . 1 1 61 61 GLU N N 61 119.542 119.542 119.354 0.188 17952 2232 1 5 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.077 0.352 17952 2233 1 5 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.054 -1.426 17952 2234 1 5 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.508 1.297 17952 2235 1 5 . 1 1 61 61 GLU H H 61 6.702 6.702 8.457 -1.755 17952 2236 1 5 . 1 1 62 62 ARG N N 62 120.227 120.227 119.485 0.742 17952 2237 1 5 . 1 1 62 62 ARG HA H 62 3.733 3.733 3.979 -0.246 17952 2238 1 5 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.447 2.084 17952 2239 1 5 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.193 -0.581 17952 2240 1 5 . 1 1 62 62 ARG H H 62 7.951 7.951 7.826 0.125 17952 2241 1 5 . 1 1 63 63 ASN N N 63 116.757 116.757 115.294 1.463 17952 2242 1 5 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.781 -0.347 17952 2243 1 5 . 1 1 63 63 ASN CA C 63 56.208 56.208 54.030 2.178 17952 2244 1 5 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.475 -0.650 17952 2245 1 5 . 1 1 63 63 ASN H H 63 8.365 8.365 7.924 0.441 17952 2246 1 5 . 1 1 64 64 ARG N N 64 123.093 123.093 120.391 2.702 17952 2247 1 5 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.403 -0.347 17952 2248 1 5 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.497 1.641 17952 2249 1 5 . 1 1 64 64 ARG CB C 64 30.832 30.832 31.071 -0.239 17952 2250 1 5 . 1 1 64 64 ARG H H 64 7.770 7.770 7.887 -0.117 17952 2251 1 5 . 1 1 65 65 ILE N N 65 117.911 117.911 119.797 -1.886 17952 2252 1 5 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.860 -0.335 17952 2253 1 5 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.380 1.335 17952 2254 1 5 . 1 1 65 65 ILE CB C 65 37.645 37.645 37.345 0.300 17952 2255 1 5 . 1 1 65 65 ILE H H 65 8.121 8.121 8.667 -0.546 17952 2256 1 5 . 1 1 66 66 LYS N N 66 122.635 122.635 116.348 6.287 17952 2257 1 5 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.342 -0.571 17952 2258 1 5 . 1 1 66 66 LYS CA C 66 60.935 60.935 57.635 3.300 17952 2259 1 5 . 1 1 66 66 LYS CB C 66 32.424 32.424 31.742 0.681 17952 2260 1 5 . 1 1 66 66 LYS H H 66 8.337 8.337 7.594 0.743 17952 2261 1 5 . 1 1 67 67 ARG N N 67 119.137 119.137 120.642 -1.505 17952 2262 1 5 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.146 -0.138 17952 2263 1 5 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.118 0.871 17952 2264 1 5 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.106 -0.071 17952 2265 1 5 . 1 1 67 67 ARG H H 67 8.257 8.257 7.503 0.754 17952 2266 1 5 . 1 1 68 68 LEU N N 68 119.084 119.084 120.390 -1.306 17952 2267 1 5 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.242 -0.134 17952 2268 1 5 . 1 1 68 68 LEU CA C 68 58.022 58.022 57.902 0.120 17952 2269 1 5 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.266 0.336 17952 2270 1 5 . 1 1 68 68 LEU H H 68 8.427 8.427 7.942 0.485 17952 2271 1 5 . 1 1 69 69 THR N N 69 118.019 118.019 112.670 5.349 17952 2272 1 5 . 1 1 69 69 THR CA C 69 67.701 67.701 65.966 1.736 17952 2273 1 5 . 1 1 69 69 THR H H 69 8.433 8.433 7.806 0.627 17952 2274 1 5 . 1 1 70 70 ARG N N 70 122.713 122.713 121.254 1.459 17952 2275 1 5 . 1 1 70 70 ARG CA C 70 61.410 61.410 58.971 2.439 17952 2276 1 5 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.376 -0.326 17952 2277 1 5 . 1 1 70 70 ARG H H 70 8.346 8.346 7.565 0.781 17952 2278 1 5 . 1 1 71 71 GLU N N 71 118.890 118.890 120.230 -1.340 17952 2279 1 5 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.144 0.122 17952 2280 1 5 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.500 -0.019 17952 2281 1 5 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.279 0.037 17952 2282 1 5 . 1 1 71 71 GLU H H 71 8.334 8.334 8.212 0.122 17952 2283 1 5 . 1 1 72 72 SER N N 72 114.922 114.922 115.733 -0.811 17952 2284 1 5 . 1 1 72 72 SER HA H 72 4.243 4.243 4.495 -0.252 17952 2285 1 5 . 1 1 72 72 SER CA C 72 61.292 61.292 61.688 -0.396 17952 2286 1 5 . 1 1 72 72 SER CB C 72 63.065 63.065 63.080 -0.015 17952 2287 1 5 . 1 1 72 72 SER H H 72 8.205 8.205 8.491 -0.286 17952 2288 1 5 . 1 1 73 73 PHE N N 73 122.665 122.665 124.228 -1.563 17952 2289 1 5 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.213 -1.104 17952 2290 1 5 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.120 0.415 17952 2291 1 5 . 1 1 73 73 PHE H H 73 7.788 7.788 7.946 -0.158 17952 2292 1 5 . 1 1 74 74 ARG N N 74 119.417 119.417 119.857 -0.440 17952 2293 1 5 . 1 1 74 74 ARG HA H 74 3.897 3.897 3.813 0.084 17952 2294 1 5 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.851 0.350 17952 2295 1 5 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.397 -0.416 17952 2296 1 5 . 1 1 74 74 ARG H H 74 8.580 8.580 7.959 0.621 17952 2297 1 5 . 1 1 75 75 LEU N N 75 117.144 117.144 117.117 0.027 17952 2298 1 5 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.117 -0.021 17952 2299 1 5 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.602 0.615 17952 2300 1 5 . 1 1 75 75 LEU CB C 75 42.788 42.788 41.426 1.362 17952 2301 1 5 . 1 1 75 75 LEU H H 75 7.903 7.903 7.917 -0.014 17952 2302 1 5 . 1 1 76 76 ARG N N 76 113.888 113.888 117.354 -3.466 17952 2303 1 5 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.214 0.209 17952 2304 1 5 . 1 1 76 76 ARG CA C 76 54.487 54.487 53.766 0.722 17952 2305 1 5 . 1 1 76 76 ARG CB C 76 31.867 31.867 28.957 2.910 17952 2306 1 5 . 1 1 76 76 ARG H H 76 6.736 6.736 7.187 -0.451 17952 2307 1 5 . 1 1 77 77 GLN N N 77 120.009 120.009 119.967 0.042 17952 2308 1 5 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.814 1.442 17952 2309 1 5 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.367 1.221 17952 2310 1 5 . 1 1 77 77 GLN H H 77 7.273 7.273 7.411 -0.138 17952 2311 1 5 . 1 1 78 78 HIS N N 78 114.954 114.954 117.058 -2.104 17952 2312 1 5 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.407 0.038 17952 2313 1 5 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.535 0.265 17952 2314 1 5 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.942 -0.540 17952 2315 1 5 . 1 1 78 78 HIS H H 78 8.389 8.389 8.088 0.301 17952 2316 1 5 . 1 1 79 79 GLU N N 79 118.231 118.231 117.787 0.444 17952 2317 1 5 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.586 -0.179 17952 2318 1 5 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.152 0.240 17952 2319 1 5 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.361 1.935 17952 2320 1 5 . 1 1 79 79 GLU H H 79 7.717 7.717 7.732 -0.015 17952 2321 1 5 . 1 1 80 80 LEU N N 80 119.751 119.751 116.772 2.979 17952 2322 1 5 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.946 -0.392 17952 2323 1 5 . 1 1 80 80 LEU H H 80 6.859 6.859 7.193 -0.334 17952 2324 1 5 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.703 -0.132 17952 2325 1 5 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.136 -0.411 17952 2326 1 5 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.798 -0.466 17952 2327 1 5 . 1 1 82 82 ALA N N 82 122.525 122.525 123.913 -1.388 17952 2328 1 5 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.743 -0.985 17952 2329 1 5 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.755 -2.847 17952 2330 1 5 . 1 1 82 82 ALA H H 82 8.425 8.425 8.594 -0.169 17952 2331 1 5 . 1 1 83 83 MET N N 83 122.963 122.963 121.964 0.999 17952 2332 1 5 . 1 1 83 83 MET HA H 83 4.387 4.387 4.720 -0.333 17952 2333 1 5 . 1 1 83 83 MET CA C 83 54.002 54.002 54.191 -0.189 17952 2334 1 5 . 1 1 83 83 MET CB C 83 35.655 35.655 37.403 -1.748 17952 2335 1 5 . 1 1 83 83 MET H H 83 7.851 7.851 8.063 -0.212 17952 2336 1 5 . 1 1 84 84 ASP N N 84 121.733 121.733 121.394 0.339 17952 2337 1 5 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.946 -0.194 17952 2338 1 5 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.316 0.322 17952 2339 1 5 . 1 1 84 84 ASP CB C 84 41.990 41.990 40.673 1.317 17952 2340 1 5 . 1 1 84 84 ASP H H 84 8.393 8.393 8.459 -0.066 17952 2341 1 5 . 1 1 85 85 PHE N N 85 121.368 121.368 127.285 -5.917 17952 2342 1 5 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.515 1.441 17952 2343 1 5 . 1 1 85 85 PHE CB C 85 42.080 42.080 39.253 2.827 17952 2344 1 5 . 1 1 85 85 PHE H H 85 8.849 8.849 9.070 -0.221 17952 2345 1 5 . 1 1 86 86 VAL N N 86 120.431 120.431 126.863 -6.432 17952 2346 1 5 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.458 0.158 17952 2347 1 5 . 1 1 86 86 VAL CA C 86 60.874 60.874 61.837 -0.963 17952 2348 1 5 . 1 1 86 86 VAL CB C 86 34.882 34.882 32.525 2.357 17952 2349 1 5 . 1 1 86 86 VAL H H 86 9.407 9.407 8.274 1.133 17952 2350 1 5 . 1 1 87 87 VAL N N 87 127.860 127.860 130.982 -3.122 17952 2351 1 5 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.866 -0.249 17952 2352 1 5 . 1 1 87 87 VAL CA C 87 61.420 61.420 60.359 1.061 17952 2353 1 5 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.300 -0.178 17952 2354 1 5 . 1 1 87 87 VAL H H 87 8.843 8.843 9.108 -0.265 17952 2355 1 5 . 1 1 88 88 VAL N N 88 128.150 128.150 128.907 -0.757 17952 2356 1 5 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.240 0.415 17952 2357 1 5 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.376 -0.111 17952 2358 1 5 . 1 1 88 88 VAL CB C 88 33.439 33.439 31.890 1.550 17952 2359 1 5 . 1 1 88 88 VAL H H 88 9.538 9.538 9.102 0.436 17952 2360 1 5 . 1 1 89 89 ALA N N 89 128.337 128.337 132.099 -3.762 17952 2361 1 5 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.451 0.153 17952 2362 1 5 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.759 1.112 17952 2363 1 5 . 1 1 89 89 ALA H H 89 8.170 8.170 8.001 0.169 17952 2364 1 5 . 1 1 90 90 LYS N N 90 123.110 123.110 124.746 -1.636 17952 2365 1 5 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.453 0.024 17952 2366 1 5 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.567 0.543 17952 2367 1 5 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.919 -0.463 17952 2368 1 5 . 1 1 90 90 LYS H H 90 8.231 8.231 8.386 -0.155 17952 2369 1 5 . 1 1 91 91 LYS N N 91 119.291 119.291 121.125 -1.834 17952 2370 1 5 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.065 -0.017 17952 2371 1 5 . 1 1 91 91 LYS CA C 91 59.171 59.171 58.197 0.974 17952 2372 1 5 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.382 -0.163 17952 2373 1 5 . 1 1 91 91 LYS H H 91 8.162 8.162 8.685 -0.523 17952 2374 1 5 . 1 1 92 92 GLY N N 92 112.991 112.991 114.139 -1.148 17952 2375 1 5 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.154 -0.018 17952 2376 1 5 . 1 1 92 92 GLY H H 92 8.783 8.783 8.463 0.320 17952 2377 1 5 . 1 1 93 93 VAL N N 93 122.937 122.937 122.558 0.379 17952 2378 1 5 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.805 -0.075 17952 2379 1 5 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.364 -0.453 17952 2380 1 5 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.653 -1.655 17952 2381 1 5 . 1 1 93 93 VAL H H 93 8.363 8.363 7.550 0.813 17952 2382 1 5 . 1 1 94 94 ALA N N 94 119.882 119.882 117.857 2.025 17952 2383 1 5 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.242 -0.146 17952 2384 1 5 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.589 0.080 17952 2385 1 5 . 1 1 94 94 ALA H H 94 7.960 7.960 8.300 -0.340 17952 2386 1 5 . 1 1 95 95 ASP N N 95 114.705 114.705 117.365 -2.660 17952 2387 1 5 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.784 -0.292 17952 2388 1 5 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.267 0.594 17952 2389 1 5 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.319 -0.437 17952 2390 1 5 . 1 1 95 95 ASP H H 95 7.360 7.360 7.843 -0.483 17952 2391 1 5 . 1 1 96 96 LEU N N 96 120.424 120.424 120.445 -0.021 17952 2392 1 5 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.645 -0.187 17952 2393 1 5 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.781 0.576 17952 2394 1 5 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.289 -0.857 17952 2395 1 5 . 1 1 96 96 LEU H H 96 7.389 7.389 7.707 -0.318 17952 2396 1 5 . 1 1 97 97 ASP N N 97 123.018 123.018 120.953 2.065 17952 2397 1 5 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.622 -0.092 17952 2398 1 5 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.963 -1.128 17952 2399 1 5 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.577 -2.075 17952 2400 1 5 . 1 1 97 97 ASP H H 97 8.473 8.473 8.248 0.225 17952 2401 1 5 . 1 1 98 98 ASN N N 98 117.692 117.692 121.216 -3.524 17952 2402 1 5 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.451 -0.315 17952 2403 1 5 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.380 1.485 17952 2404 1 5 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.590 -1.650 17952 2405 1 5 . 1 1 98 98 ASN H H 98 8.651 8.651 8.721 -0.070 17952 2406 1 5 . 1 1 99 99 ARG N N 99 120.819 120.819 120.459 0.360 17952 2407 1 5 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.021 0.032 17952 2408 1 5 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.286 1.212 17952 2409 1 5 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.123 -0.807 17952 2410 1 5 . 1 1 99 99 ARG H H 99 8.191 8.191 9.053 -0.862 17952 2411 1 5 . 1 1 100 100 ALA N N 100 122.928 122.928 121.681 1.247 17952 2412 1 5 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.054 0.097 17952 2413 1 5 . 1 1 100 100 ALA CA C 100 55.049 55.049 55.110 -0.061 17952 2414 1 5 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.213 0.784 17952 2415 1 5 . 1 1 100 100 ALA H H 100 8.524 8.524 7.994 0.530 17952 2416 1 5 . 1 1 101 101 LEU N N 101 120.795 120.795 114.932 5.863 17952 2417 1 5 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.218 -0.120 17952 2418 1 5 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.646 0.589 17952 2419 1 5 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.260 0.249 17952 2420 1 5 . 1 1 101 101 LEU H H 101 8.961 8.961 7.607 1.354 17952 2421 1 5 . 1 1 102 102 SER N N 102 115.314 115.314 115.423 -0.109 17952 2422 1 5 . 1 1 102 102 SER HA H 102 4.123 4.123 4.124 -0.001 17952 2423 1 5 . 1 1 102 102 SER CB C 102 62.761 62.761 62.881 -0.120 17952 2424 1 5 . 1 1 102 102 SER H H 102 8.459 8.459 7.622 0.837 17952 2425 1 5 . 1 1 103 103 GLU N N 103 122.468 122.468 120.908 1.560 17952 2426 1 5 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.072 0.058 17952 2427 1 5 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.785 0.683 17952 2428 1 5 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.540 -0.012 17952 2429 1 5 . 1 1 103 103 GLU H H 103 8.492 8.492 8.138 0.354 17952 2430 1 5 . 1 1 104 104 ALA N N 104 123.159 123.159 121.402 1.757 17952 2431 1 5 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.121 -0.031 17952 2432 1 5 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.325 0.917 17952 2433 1 5 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.461 -0.634 17952 2434 1 5 . 1 1 104 104 ALA H H 104 8.074 8.074 8.227 -0.153 17952 2435 1 5 . 1 1 105 105 LEU N N 105 116.602 116.602 119.687 -3.085 17952 2436 1 5 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.778 -0.226 17952 2437 1 5 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.106 0.298 17952 2438 1 5 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.585 0.034 17952 2439 1 5 . 1 1 105 105 LEU H H 105 8.318 8.318 7.540 0.778 17952 2440 1 5 . 1 1 106 106 GLU N N 106 117.564 117.564 118.205 -0.641 17952 2441 1 5 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.035 0.197 17952 2442 1 5 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.042 1.374 17952 2443 1 5 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.874 0.051 17952 2444 1 5 . 1 1 106 106 GLU H H 106 8.009 8.009 7.834 0.175 17952 2445 1 5 . 1 1 107 107 LYS N N 107 117.286 117.286 119.070 -1.784 17952 2446 1 5 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.169 -0.195 17952 2447 1 5 . 1 1 107 107 LYS CA C 107 59.907 59.907 57.895 2.012 17952 2448 1 5 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.611 0.770 17952 2449 1 5 . 1 1 107 107 LYS H H 107 7.787 7.787 7.363 0.424 17952 2450 1 5 . 1 1 108 108 LEU N N 108 120.504 120.504 118.245 2.259 17952 2451 1 5 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.404 -0.425 17952 2452 1 5 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.462 0.356 17952 2453 1 5 . 1 1 108 108 LEU CB C 108 42.300 42.300 42.011 0.289 17952 2454 1 5 . 1 1 108 108 LEU H H 108 7.875 7.875 7.753 0.122 17952 2455 1 5 . 1 1 109 109 TRP N N 109 120.547 120.547 118.842 1.705 17952 2456 1 5 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.948 -1.061 17952 2457 1 5 . 1 1 109 109 TRP CB C 109 30.763 30.763 28.300 2.462 17952 2458 1 5 . 1 1 109 109 TRP H H 109 9.048 9.048 8.439 0.609 17952 2459 1 5 . 1 1 110 110 ARG N N 110 117.678 117.678 119.227 -1.549 17952 2460 1 5 . 1 1 110 110 ARG HA H 110 4.074 4.074 4.035 0.039 17952 2461 1 5 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.494 0.749 17952 2462 1 5 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.174 -0.533 17952 2463 1 5 . 1 1 110 110 ARG H H 110 8.425 8.425 8.269 0.156 17952 2464 1 5 . 1 1 111 111 ARG N N 111 121.156 121.156 117.909 3.247 17952 2465 1 5 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.267 -0.092 17952 2466 1 5 . 1 1 111 111 ARG CA C 111 59.068 59.068 57.925 1.143 17952 2467 1 5 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.912 -0.842 17952 2468 1 5 . 1 1 111 111 ARG H H 111 8.100 8.100 7.966 0.134 17952 2469 1 5 . 1 1 112 112 HIS N N 112 118.118 118.118 120.002 -1.884 17952 2470 1 5 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.374 -0.071 17952 2471 1 5 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.699 1.836 17952 2472 1 5 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.344 1.573 17952 2473 1 5 . 1 1 112 112 HIS H H 112 8.250 8.250 8.538 -0.288 17952 2474 1 5 . 1 1 113 113 CYS N N 113 117.579 117.579 117.490 0.089 17952 2475 1 5 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.264 0.000 17952 2476 1 5 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.676 2.460 17952 2477 1 5 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.237 -0.452 17952 2478 1 5 . 1 1 113 113 CYS H H 113 8.181 8.181 8.153 0.028 17952 2479 1 5 . 1 1 114 114 ARG N N 114 120.172 120.172 117.859 2.313 17952 2480 1 5 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.201 -0.054 17952 2481 1 5 . 1 1 114 114 ARG CA C 114 59.050 59.050 57.849 1.201 17952 2482 1 5 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.525 0.293 17952 2483 1 5 . 1 1 114 114 ARG H H 114 7.870 7.870 7.656 0.214 17952 2484 1 5 . 1 1 115 115 LEU N N 115 120.720 120.720 119.844 0.876 17952 2485 1 5 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.268 -0.151 17952 2486 1 5 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.729 0.633 17952 2487 1 5 . 1 1 115 115 LEU CB C 115 41.902 41.902 42.188 -0.286 17952 2488 1 5 . 1 1 115 115 LEU H H 115 8.690 8.690 7.543 1.147 17952 2489 1 5 . 1 1 116 116 ALA N N 116 119.118 119.118 119.899 -0.781 17952 2490 1 5 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.174 0.193 17952 2491 1 5 . 1 1 116 116 ALA CB C 116 19.088 19.088 19.244 -0.156 17952 2492 1 5 . 1 1 116 116 ALA H H 116 7.751 7.751 8.139 -0.388 17952 2493 1 5 . 1 1 117 117 ARG N N 117 117.010 117.010 120.076 -3.066 17952 2494 1 5 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.301 0.087 17952 2495 1 5 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.935 1.111 17952 2496 1 5 . 1 1 117 117 ARG CB C 117 30.858 30.858 29.532 1.326 17952 2497 1 5 . 1 1 117 117 ARG H H 117 7.602 7.602 7.644 -0.042 17952 2498 1 5 . 1 1 118 118 GLY N N 118 108.836 108.836 112.686 -3.850 17952 2499 1 5 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.666 0.900 17952 2500 1 5 . 1 1 118 118 GLY H H 118 8.087 8.087 8.186 -0.099 17952 2501 1 6 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.690 0.501 17952 2502 1 6 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.292 -1.326 17952 2503 1 6 . 1 1 4 4 LEU N N 4 125.667 125.667 122.370 3.297 17952 2504 1 6 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.271 0.116 17952 2505 1 6 . 1 1 4 4 LEU CA C 4 54.667 54.667 54.533 0.134 17952 2506 1 6 . 1 1 4 4 LEU CB C 4 42.618 42.618 39.156 3.462 17952 2507 1 6 . 1 1 4 4 LEU H H 4 8.498 8.498 8.328 0.170 17952 2508 1 6 . 1 1 5 5 ALA N N 5 126.419 126.419 125.489 0.930 17952 2509 1 6 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.633 -0.262 17952 2510 1 6 . 1 1 5 5 ALA CB C 5 19.337 19.337 20.531 -1.194 17952 2511 1 6 . 1 1 5 5 ALA H H 5 8.435 8.435 7.193 1.242 17952 2512 1 6 . 1 1 6 6 PHE N N 6 124.718 124.718 122.267 2.451 17952 2513 1 6 . 1 1 6 6 PHE H H 6 8.714 8.714 8.329 0.385 17952 2514 1 6 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.268 -0.032 17952 2515 1 6 . 1 1 7 7 PRO CA C 7 63.736 63.736 64.839 -1.103 17952 2516 1 6 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.664 0.738 17952 2517 1 6 . 1 1 8 8 ARG N N 8 124.351 124.351 117.374 6.977 17952 2518 1 6 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.198 -0.414 17952 2519 1 6 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.281 1.691 17952 2520 1 6 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.760 0.496 17952 2521 1 6 . 1 1 8 8 ARG H H 8 8.650 8.650 8.077 0.573 17952 2522 1 6 . 1 1 9 9 GLU N N 9 117.015 117.015 117.743 -0.728 17952 2523 1 6 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.568 -0.327 17952 2524 1 6 . 1 1 9 9 GLU CA C 9 58.536 58.536 55.931 2.605 17952 2525 1 6 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.987 -1.701 17952 2526 1 6 . 1 1 9 9 GLU H H 9 9.522 9.522 7.882 1.640 17952 2527 1 6 . 1 1 10 10 LEU N N 10 116.269 116.269 120.650 -4.381 17952 2528 1 6 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.214 0.468 17952 2529 1 6 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.295 -1.971 17952 2530 1 6 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.014 0.291 17952 2531 1 6 . 1 1 10 10 LEU H H 10 7.285 7.285 7.502 -0.217 17952 2532 1 6 . 1 1 11 11 ARG N N 11 116.982 116.982 118.236 -1.254 17952 2533 1 6 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.171 0.874 17952 2534 1 6 . 1 1 11 11 ARG CA C 11 55.671 55.671 57.505 -1.834 17952 2535 1 6 . 1 1 11 11 ARG CB C 11 32.827 32.827 30.384 2.443 17952 2536 1 6 . 1 1 11 11 ARG H H 11 7.618 7.618 8.097 -0.479 17952 2537 1 6 . 1 1 12 12 LEU N N 12 119.127 119.127 122.951 -3.824 17952 2538 1 6 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.381 -0.052 17952 2539 1 6 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.872 0.243 17952 2540 1 6 . 1 1 12 12 LEU CB C 12 41.683 41.683 40.737 0.946 17952 2541 1 6 . 1 1 12 12 LEU H H 12 7.289 7.289 7.598 -0.309 17952 2542 1 6 . 1 1 13 13 LEU N N 13 123.181 123.181 123.542 -0.361 17952 2543 1 6 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.611 0.136 17952 2544 1 6 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.158 1.032 17952 2545 1 6 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.552 4.682 17952 2546 1 6 . 1 1 13 13 LEU H H 13 8.816 8.816 8.023 0.793 17952 2547 1 6 . 1 1 14 14 THR N N 14 111.810 111.810 119.103 -7.293 17952 2548 1 6 . 1 1 14 14 THR HA H 14 5.104 5.104 4.609 0.495 17952 2549 1 6 . 1 1 14 14 THR H H 14 8.321 8.321 8.304 0.017 17952 2550 1 6 . 1 1 16 16 SER HA H 16 4.282 4.282 4.610 -0.328 17952 2551 1 6 . 1 1 16 16 SER CB C 16 62.228 62.228 63.830 -1.602 17952 2552 1 6 . 1 1 17 17 GLN N N 17 122.336 122.336 127.964 -5.628 17952 2553 1 6 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.179 -0.101 17952 2554 1 6 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.049 0.073 17952 2555 1 6 . 1 1 17 17 GLN CB C 17 29.103 29.103 27.682 1.421 17952 2556 1 6 . 1 1 17 17 GLN H H 17 7.967 7.967 8.785 -0.818 17952 2557 1 6 . 1 1 18 18 PHE N N 18 119.658 119.658 119.609 0.049 17952 2558 1 6 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.224 0.416 17952 2559 1 6 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.229 0.261 17952 2560 1 6 . 1 1 18 18 PHE H H 18 7.733 7.733 7.654 0.078 17952 2561 1 6 . 1 1 19 19 THR N N 19 116.141 116.141 115.463 0.678 17952 2562 1 6 . 1 1 19 19 THR HA H 19 3.911 3.911 4.216 -0.305 17952 2563 1 6 . 1 1 19 19 THR CA C 19 67.058 67.058 65.903 1.155 17952 2564 1 6 . 1 1 19 19 THR CB C 19 68.790 68.790 68.657 0.133 17952 2565 1 6 . 1 1 19 19 THR H H 19 8.622 8.622 7.676 0.946 17952 2566 1 6 . 1 1 20 20 PHE N N 20 119.904 119.904 121.719 -1.815 17952 2567 1 6 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.498 -0.349 17952 2568 1 6 . 1 1 20 20 PHE CB C 20 39.260 39.260 40.313 -1.053 17952 2569 1 6 . 1 1 20 20 PHE H H 20 7.728 7.728 7.575 0.153 17952 2570 1 6 . 1 1 21 21 VAL N N 21 117.896 117.896 116.828 1.068 17952 2571 1 6 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.942 -0.860 17952 2572 1 6 . 1 1 21 21 VAL CA C 21 66.336 66.336 65.501 0.835 17952 2573 1 6 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.627 -0.038 17952 2574 1 6 . 1 1 21 21 VAL H H 21 6.861 6.861 8.757 -1.896 17952 2575 1 6 . 1 1 22 22 PHE N N 22 114.352 114.352 119.854 -5.502 17952 2576 1 6 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.312 -0.301 17952 2577 1 6 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.137 -0.552 17952 2578 1 6 . 1 1 22 22 PHE H H 22 7.653 7.653 7.754 -0.101 17952 2579 1 6 . 1 1 23 23 GLN N N 23 116.245 116.245 116.327 -0.082 17952 2580 1 6 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.961 0.072 17952 2581 1 6 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.448 0.967 17952 2582 1 6 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.085 -0.135 17952 2583 1 6 . 1 1 23 23 GLN H H 23 7.928 7.928 7.453 0.475 17952 2584 1 6 . 1 1 24 24 GLN N N 24 114.087 114.087 116.657 -2.570 17952 2585 1 6 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.445 -0.020 17952 2586 1 6 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.825 0.866 17952 2587 1 6 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.340 -0.883 17952 2588 1 6 . 1 1 24 24 GLN H H 24 6.731 6.731 7.242 -0.511 17952 2589 1 6 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.736 0.292 17952 2590 1 6 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.138 1.041 17952 2591 1 6 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.499 0.078 17952 2592 1 6 . 1 1 26 26 GLN N N 26 120.107 120.107 123.961 -3.854 17952 2593 1 6 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.149 0.130 17952 2594 1 6 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.848 0.708 17952 2595 1 6 . 1 1 26 26 GLN H H 26 9.622 9.622 8.248 1.374 17952 2596 1 6 . 1 1 27 27 ARG N N 27 125.712 125.712 125.492 0.220 17952 2597 1 6 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.602 0.618 17952 2598 1 6 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.574 0.551 17952 2599 1 6 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.021 4.620 17952 2600 1 6 . 1 1 27 27 ARG H H 27 9.068 9.068 8.605 0.463 17952 2601 1 6 . 1 1 28 28 ALA N N 28 123.402 123.402 129.291 -5.889 17952 2602 1 6 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.820 -0.306 17952 2603 1 6 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.344 -0.425 17952 2604 1 6 . 1 1 28 28 ALA H H 28 8.102 8.102 8.463 -0.361 17952 2605 1 6 . 1 1 29 29 GLY N N 29 109.532 109.532 109.224 0.308 17952 2606 1 6 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.879 2.005 17952 2607 1 6 . 1 1 29 29 GLY H H 29 8.572 8.572 8.304 0.268 17952 2608 1 6 . 1 1 30 30 THR N N 30 113.168 113.168 112.247 0.921 17952 2609 1 6 . 1 1 30 30 THR HA H 30 4.953 4.953 5.003 -0.050 17952 2610 1 6 . 1 1 30 30 THR H H 30 9.199 9.199 8.395 0.804 17952 2611 1 6 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.536 -0.239 17952 2612 1 6 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.770 0.741 17952 2613 1 6 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.163 -1.180 17952 2614 1 6 . 1 1 32 32 GLN N N 32 110.281 110.281 115.986 -5.705 17952 2615 1 6 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.381 -0.186 17952 2616 1 6 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.038 2.440 17952 2617 1 6 . 1 1 32 32 GLN CB C 32 28.996 28.996 30.017 -1.021 17952 2618 1 6 . 1 1 32 32 GLN H H 32 7.403 7.403 8.095 -0.692 17952 2619 1 6 . 1 1 33 33 ILE N N 33 118.254 118.254 118.426 -0.172 17952 2620 1 6 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.149 0.091 17952 2621 1 6 . 1 1 33 33 ILE CB C 33 42.791 42.791 40.190 2.601 17952 2622 1 6 . 1 1 33 33 ILE H H 33 7.353 7.353 7.437 -0.084 17952 2623 1 6 . 1 1 34 34 THR N N 34 122.650 122.650 125.777 -3.127 17952 2624 1 6 . 1 1 34 34 THR HA H 34 4.946 4.946 4.964 -0.018 17952 2625 1 6 . 1 1 34 34 THR CA C 34 61.792 61.792 61.914 -0.123 17952 2626 1 6 . 1 1 34 34 THR CB C 34 71.752 71.752 70.617 1.135 17952 2627 1 6 . 1 1 34 34 THR H H 34 8.787 8.787 8.850 -0.063 17952 2628 1 6 . 1 1 35 35 ILE N N 35 123.778 123.778 127.870 -4.092 17952 2629 1 6 . 1 1 35 35 ILE HA H 35 5.161 5.161 5.058 0.103 17952 2630 1 6 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.641 1.072 17952 2631 1 6 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.367 1.676 17952 2632 1 6 . 1 1 35 35 ILE H H 35 9.109 9.109 9.323 -0.214 17952 2633 1 6 . 1 1 36 36 LEU N N 36 132.558 132.558 127.000 5.558 17952 2634 1 6 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.795 -0.161 17952 2635 1 6 . 1 1 36 36 LEU CA C 36 53.244 53.244 52.449 0.795 17952 2636 1 6 . 1 1 36 36 LEU CB C 36 44.498 44.498 46.218 -1.720 17952 2637 1 6 . 1 1 36 36 LEU H H 36 9.500 9.500 9.174 0.326 17952 2638 1 6 . 1 1 37 37 GLY N N 37 106.940 106.940 106.544 0.396 17952 2639 1 6 . 1 1 37 37 GLY CA C 37 45.258 45.258 45.418 -0.160 17952 2640 1 6 . 1 1 37 37 GLY H H 37 9.058 9.058 8.020 1.038 17952 2641 1 6 . 1 1 38 38 ARG N N 38 121.378 121.378 118.332 3.046 17952 2642 1 6 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.711 -0.059 17952 2643 1 6 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.955 0.330 17952 2644 1 6 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.095 2.081 17952 2645 1 6 . 1 1 38 38 ARG H H 38 8.384 8.384 8.466 -0.082 17952 2646 1 6 . 1 1 39 39 LEU N N 39 129.596 129.596 123.547 6.049 17952 2647 1 6 . 1 1 39 39 LEU CB C 39 42.472 42.472 43.901 -1.429 17952 2648 1 6 . 1 1 39 39 LEU H H 39 9.030 9.030 8.587 0.443 17952 2649 1 6 . 1 1 40 40 ASN N N 40 119.921 119.921 115.761 4.160 17952 2650 1 6 . 1 1 40 40 ASN CA C 40 51.546 51.546 53.074 -1.528 17952 2651 1 6 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.058 1.030 17952 2652 1 6 . 1 1 40 40 ASN H H 40 8.186 8.186 8.100 0.086 17952 2653 1 6 . 1 1 41 41 SER N N 41 112.600 112.600 118.055 -5.455 17952 2654 1 6 . 1 1 41 41 SER HA H 41 4.484 4.484 4.579 -0.095 17952 2655 1 6 . 1 1 41 41 SER CB C 41 62.949 62.949 62.559 0.390 17952 2656 1 6 . 1 1 41 41 SER H H 41 8.646 8.646 8.753 -0.107 17952 2657 1 6 . 1 1 42 42 LEU N N 42 120.612 120.612 124.483 -3.871 17952 2658 1 6 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.526 -0.192 17952 2659 1 6 . 1 1 42 42 LEU CA C 42 54.828 54.828 54.702 0.126 17952 2660 1 6 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.123 1.590 17952 2661 1 6 . 1 1 42 42 LEU H H 42 8.538 8.538 8.228 0.310 17952 2662 1 6 . 1 1 43 43 GLY N N 43 105.922 105.922 107.980 -2.058 17952 2663 1 6 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.300 -0.029 17952 2664 1 6 . 1 1 43 43 GLY H H 43 8.317 8.317 7.953 0.364 17952 2665 1 6 . 1 1 44 44 HIS N N 44 114.144 114.144 119.708 -5.564 17952 2666 1 6 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.952 0.113 17952 2667 1 6 . 1 1 44 44 HIS H H 44 7.145 7.145 7.773 -0.628 17952 2668 1 6 . 1 1 45 45 PRO HA H 45 5.403 5.403 5.150 0.253 17952 2669 1 6 . 1 1 45 45 PRO CA C 45 62.561 62.561 61.955 0.606 17952 2670 1 6 . 1 1 45 45 PRO CB C 45 33.097 33.097 33.282 -0.185 17952 2671 1 6 . 1 1 46 46 ARG N N 46 116.294 116.294 122.445 -6.151 17952 2672 1 6 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.501 0.655 17952 2673 1 6 . 1 1 46 46 ARG CA C 46 56.154 56.154 55.352 0.802 17952 2674 1 6 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.539 4.431 17952 2675 1 6 . 1 1 46 46 ARG H H 46 8.919 8.919 8.315 0.604 17952 2676 1 6 . 1 1 47 47 ILE N N 47 117.069 117.069 125.328 -8.259 17952 2677 1 6 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.230 1.454 17952 2678 1 6 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.525 -1.705 17952 2679 1 6 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.036 2.676 17952 2680 1 6 . 1 1 47 47 ILE H H 47 9.106 9.106 8.589 0.517 17952 2681 1 6 . 1 1 48 48 GLY N N 48 116.903 116.903 118.781 -1.878 17952 2682 1 6 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.154 0.375 17952 2683 1 6 . 1 1 48 48 GLY H H 48 9.276 9.276 9.189 0.087 17952 2684 1 6 . 1 1 49 49 LEU N N 49 123.729 123.729 126.307 -2.578 17952 2685 1 6 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.452 0.989 17952 2686 1 6 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.010 -0.648 17952 2687 1 6 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.013 3.532 17952 2688 1 6 . 1 1 49 49 LEU H H 49 8.957 8.957 7.591 1.366 17952 2689 1 6 . 1 1 50 50 THR N N 50 120.870 120.870 125.739 -4.869 17952 2690 1 6 . 1 1 50 50 THR HA H 50 4.616 4.616 4.459 0.157 17952 2691 1 6 . 1 1 50 50 THR H H 50 9.419 9.419 8.972 0.447 17952 2692 1 6 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.376 -0.020 17952 2693 1 6 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.028 0.082 17952 2694 1 6 . 1 1 51 51 VAL CB C 51 32.291 32.291 33.748 -1.457 17952 2695 1 6 . 1 1 52 52 ALA N N 52 129.415 129.415 130.143 -0.728 17952 2696 1 6 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.948 -1.636 17952 2697 1 6 . 1 1 52 52 ALA H H 52 9.046 9.046 8.339 0.707 17952 2698 1 6 . 1 1 53 53 LYS N N 53 125.023 125.023 120.656 4.367 17952 2699 1 6 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.280 -0.191 17952 2700 1 6 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.069 0.666 17952 2701 1 6 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.305 -0.209 17952 2702 1 6 . 1 1 53 53 LYS H H 53 8.811 8.811 8.776 0.035 17952 2703 1 6 . 1 1 54 54 LYS N N 54 114.126 114.126 114.544 -0.418 17952 2704 1 6 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.294 -0.253 17952 2705 1 6 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.749 0.204 17952 2706 1 6 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.084 -0.154 17952 2707 1 6 . 1 1 54 54 LYS H H 54 8.073 8.073 8.145 -0.072 17952 2708 1 6 . 1 1 55 55 ASN N N 55 115.234 115.234 118.159 -2.925 17952 2709 1 6 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.933 -0.075 17952 2710 1 6 . 1 1 55 55 ASN CA C 55 53.777 53.777 55.003 -1.226 17952 2711 1 6 . 1 1 55 55 ASN CB C 55 39.529 39.529 41.287 -1.758 17952 2712 1 6 . 1 1 55 55 ASN H H 55 7.434 7.434 7.822 -0.388 17952 2713 1 6 . 1 1 56 56 VAL N N 56 121.000 121.000 118.975 2.025 17952 2714 1 6 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.341 -0.168 17952 2715 1 6 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.885 -0.124 17952 2716 1 6 . 1 1 56 56 VAL CB C 56 33.033 33.033 33.169 -0.136 17952 2717 1 6 . 1 1 56 56 VAL H H 56 7.764 7.764 8.208 -0.444 17952 2718 1 6 . 1 1 57 57 ARG N N 57 125.781 125.781 125.351 0.430 17952 2719 1 6 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.636 -0.436 17952 2720 1 6 . 1 1 57 57 ARG CA C 57 58.646 58.646 57.214 1.432 17952 2721 1 6 . 1 1 57 57 ARG CB C 57 31.004 31.004 31.566 -0.562 17952 2722 1 6 . 1 1 57 57 ARG H H 57 8.441 8.441 8.649 -0.208 17952 2723 1 6 . 1 1 58 58 ARG N N 58 118.159 118.159 121.001 -2.842 17952 2724 1 6 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.288 0.306 17952 2725 1 6 . 1 1 58 58 ARG H H 58 8.250 8.250 8.505 -0.255 17952 2726 1 6 . 1 1 60 60 HIS N N 60 116.957 116.957 117.756 -0.799 17952 2727 1 6 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.334 0.101 17952 2728 1 6 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.909 -0.304 17952 2729 1 6 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.495 0.452 17952 2730 1 6 . 1 1 60 60 HIS H H 60 7.600 7.600 8.774 -1.174 17952 2731 1 6 . 1 1 61 61 GLU N N 61 119.542 119.542 119.278 0.264 17952 2732 1 6 . 1 1 61 61 GLU HA H 61 4.429 4.429 3.987 0.442 17952 2733 1 6 . 1 1 61 61 GLU CA C 61 57.628 57.628 60.078 -2.450 17952 2734 1 6 . 1 1 61 61 GLU CB C 61 29.805 29.805 29.402 0.403 17952 2735 1 6 . 1 1 61 61 GLU H H 61 6.702 6.702 8.652 -1.950 17952 2736 1 6 . 1 1 62 62 ARG N N 62 120.227 120.227 118.285 1.942 17952 2737 1 6 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.027 -0.294 17952 2738 1 6 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.316 2.215 17952 2739 1 6 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.984 -0.372 17952 2740 1 6 . 1 1 62 62 ARG H H 62 7.951 7.951 8.253 -0.302 17952 2741 1 6 . 1 1 63 63 ASN N N 63 116.757 116.757 119.033 -2.276 17952 2742 1 6 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.470 -0.036 17952 2743 1 6 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.131 0.077 17952 2744 1 6 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.511 -0.686 17952 2745 1 6 . 1 1 63 63 ASN H H 63 8.365 8.365 8.372 -0.007 17952 2746 1 6 . 1 1 64 64 ARG N N 64 123.093 123.093 119.304 3.789 17952 2747 1 6 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.044 0.012 17952 2748 1 6 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.048 2.090 17952 2749 1 6 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.918 0.914 17952 2750 1 6 . 1 1 64 64 ARG H H 64 7.770 7.770 7.583 0.187 17952 2751 1 6 . 1 1 65 65 ILE N N 65 117.911 117.911 119.759 -1.848 17952 2752 1 6 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.802 -0.277 17952 2753 1 6 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.903 0.812 17952 2754 1 6 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.719 0.926 17952 2755 1 6 . 1 1 65 65 ILE H H 65 8.121 8.121 8.736 -0.615 17952 2756 1 6 . 1 1 66 66 LYS N N 66 122.635 122.635 117.282 5.353 17952 2757 1 6 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.243 -0.472 17952 2758 1 6 . 1 1 66 66 LYS CA C 66 60.935 60.935 57.986 2.950 17952 2759 1 6 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.007 0.417 17952 2760 1 6 . 1 1 66 66 LYS H H 66 8.337 8.337 7.480 0.857 17952 2761 1 6 . 1 1 67 67 ARG N N 67 119.137 119.137 119.082 0.055 17952 2762 1 6 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.252 -0.244 17952 2763 1 6 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.151 1.838 17952 2764 1 6 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.749 -0.714 17952 2765 1 6 . 1 1 67 67 ARG H H 67 8.257 8.257 7.680 0.577 17952 2766 1 6 . 1 1 68 68 LEU N N 68 119.084 119.084 122.092 -3.008 17952 2767 1 6 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.221 -0.113 17952 2768 1 6 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.022 0.000 17952 2769 1 6 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.709 -0.107 17952 2770 1 6 . 1 1 68 68 LEU H H 68 8.427 8.427 8.081 0.346 17952 2771 1 6 . 1 1 69 69 THR N N 69 118.019 118.019 111.449 6.570 17952 2772 1 6 . 1 1 69 69 THR CA C 69 67.701 67.701 65.866 1.835 17952 2773 1 6 . 1 1 69 69 THR H H 69 8.433 8.433 7.957 0.476 17952 2774 1 6 . 1 1 70 70 ARG N N 70 122.713 122.713 120.395 2.318 17952 2775 1 6 . 1 1 70 70 ARG CA C 70 61.410 61.410 58.374 3.036 17952 2776 1 6 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.259 -0.209 17952 2777 1 6 . 1 1 70 70 ARG H H 70 8.346 8.346 8.315 0.031 17952 2778 1 6 . 1 1 71 71 GLU N N 71 118.890 118.890 118.135 0.755 17952 2779 1 6 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.244 0.022 17952 2780 1 6 . 1 1 71 71 GLU CA C 71 59.481 59.481 57.862 1.619 17952 2781 1 6 . 1 1 71 71 GLU CB C 71 29.316 29.316 30.375 -1.059 17952 2782 1 6 . 1 1 71 71 GLU H H 71 8.334 8.334 7.622 0.712 17952 2783 1 6 . 1 1 72 72 SER N N 72 114.922 114.922 115.961 -1.039 17952 2784 1 6 . 1 1 72 72 SER HA H 72 4.243 4.243 3.887 0.356 17952 2785 1 6 . 1 1 72 72 SER CA C 72 61.292 61.292 61.307 -0.015 17952 2786 1 6 . 1 1 72 72 SER CB C 72 63.065 63.065 62.963 0.102 17952 2787 1 6 . 1 1 72 72 SER H H 72 8.205 8.205 7.874 0.331 17952 2788 1 6 . 1 1 73 73 PHE N N 73 122.665 122.665 118.992 3.673 17952 2789 1 6 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.259 -1.150 17952 2790 1 6 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.101 0.434 17952 2791 1 6 . 1 1 73 73 PHE H H 73 7.788 7.788 7.605 0.183 17952 2792 1 6 . 1 1 74 74 ARG N N 74 119.417 119.417 117.065 2.352 17952 2793 1 6 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.321 -0.424 17952 2794 1 6 . 1 1 74 74 ARG CA C 74 59.201 59.201 56.449 2.752 17952 2795 1 6 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.375 -0.393 17952 2796 1 6 . 1 1 74 74 ARG H H 74 8.580 8.580 7.898 0.682 17952 2797 1 6 . 1 1 75 75 LEU N N 75 117.144 117.144 120.499 -3.355 17952 2798 1 6 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.195 -0.099 17952 2799 1 6 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.782 0.435 17952 2800 1 6 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.911 -0.123 17952 2801 1 6 . 1 1 75 75 LEU H H 75 7.903 7.903 7.235 0.668 17952 2802 1 6 . 1 1 76 76 ARG N N 76 113.888 113.888 118.642 -4.754 17952 2803 1 6 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.686 -0.263 17952 2804 1 6 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.461 -0.974 17952 2805 1 6 . 1 1 76 76 ARG CB C 76 31.867 31.867 30.225 1.642 17952 2806 1 6 . 1 1 76 76 ARG H H 76 6.736 6.736 7.515 -0.779 17952 2807 1 6 . 1 1 77 77 GLN N N 77 120.009 120.009 122.588 -2.579 17952 2808 1 6 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.946 2.310 17952 2809 1 6 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.553 0.035 17952 2810 1 6 . 1 1 77 77 GLN H H 77 7.273 7.273 9.033 -1.760 17952 2811 1 6 . 1 1 78 78 HIS N N 78 114.954 114.954 119.000 -4.046 17952 2812 1 6 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.579 -0.134 17952 2813 1 6 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.155 0.645 17952 2814 1 6 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.263 -0.861 17952 2815 1 6 . 1 1 78 78 HIS H H 78 8.389 8.389 8.215 0.174 17952 2816 1 6 . 1 1 79 79 GLU N N 79 118.231 118.231 116.725 1.506 17952 2817 1 6 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.305 0.102 17952 2818 1 6 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.467 -0.075 17952 2819 1 6 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.570 1.726 17952 2820 1 6 . 1 1 79 79 GLU H H 79 7.717 7.717 7.903 -0.186 17952 2821 1 6 . 1 1 80 80 LEU N N 80 119.751 119.751 120.684 -0.933 17952 2822 1 6 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.685 -0.131 17952 2823 1 6 . 1 1 80 80 LEU H H 80 6.859 6.859 7.097 -0.238 17952 2824 1 6 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.562 0.009 17952 2825 1 6 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.646 -0.921 17952 2826 1 6 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.970 -0.638 17952 2827 1 6 . 1 1 82 82 ALA N N 82 122.525 122.525 127.677 -5.152 17952 2828 1 6 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.609 -0.851 17952 2829 1 6 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.889 -1.981 17952 2830 1 6 . 1 1 82 82 ALA H H 82 8.425 8.425 8.468 -0.043 17952 2831 1 6 . 1 1 83 83 MET N N 83 122.963 122.963 117.729 5.234 17952 2832 1 6 . 1 1 83 83 MET HA H 83 4.387 4.387 5.035 -0.648 17952 2833 1 6 . 1 1 83 83 MET CA C 83 54.002 54.002 54.731 -0.729 17952 2834 1 6 . 1 1 83 83 MET CB C 83 35.655 35.655 35.346 0.309 17952 2835 1 6 . 1 1 83 83 MET H H 83 7.851 7.851 8.102 -0.251 17952 2836 1 6 . 1 1 84 84 ASP N N 84 121.733 121.733 121.666 0.067 17952 2837 1 6 . 1 1 84 84 ASP HA H 84 4.752 4.752 5.117 -0.365 17952 2838 1 6 . 1 1 84 84 ASP CA C 84 53.638 53.638 55.080 -1.442 17952 2839 1 6 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.136 0.855 17952 2840 1 6 . 1 1 84 84 ASP H H 84 8.393 8.393 8.392 0.001 17952 2841 1 6 . 1 1 85 85 PHE N N 85 121.368 121.368 123.630 -2.262 17952 2842 1 6 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.726 1.230 17952 2843 1 6 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.097 -0.017 17952 2844 1 6 . 1 1 85 85 PHE H H 85 8.849 8.849 8.504 0.345 17952 2845 1 6 . 1 1 86 86 VAL N N 86 120.431 120.431 123.743 -3.312 17952 2846 1 6 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.654 -0.038 17952 2847 1 6 . 1 1 86 86 VAL CA C 86 60.874 60.874 61.475 -0.601 17952 2848 1 6 . 1 1 86 86 VAL CB C 86 34.882 34.882 31.999 2.883 17952 2849 1 6 . 1 1 86 86 VAL H H 86 9.407 9.407 9.396 0.011 17952 2850 1 6 . 1 1 87 87 VAL N N 87 127.860 127.860 129.406 -1.546 17952 2851 1 6 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.436 0.181 17952 2852 1 6 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.756 -0.336 17952 2853 1 6 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.305 -0.183 17952 2854 1 6 . 1 1 87 87 VAL H H 87 8.843 8.843 8.775 0.068 17952 2855 1 6 . 1 1 88 88 VAL N N 88 128.150 128.150 129.611 -1.461 17952 2856 1 6 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.437 0.218 17952 2857 1 6 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.616 -0.351 17952 2858 1 6 . 1 1 88 88 VAL CB C 88 33.439 33.439 31.587 1.852 17952 2859 1 6 . 1 1 88 88 VAL H H 88 9.538 9.538 9.242 0.296 17952 2860 1 6 . 1 1 89 89 ALA N N 89 128.337 128.337 132.223 -3.886 17952 2861 1 6 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.622 -0.018 17952 2862 1 6 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.003 0.868 17952 2863 1 6 . 1 1 89 89 ALA H H 89 8.170 8.170 8.119 0.051 17952 2864 1 6 . 1 1 90 90 LYS N N 90 123.110 123.110 125.365 -2.255 17952 2865 1 6 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.393 0.084 17952 2866 1 6 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.956 0.154 17952 2867 1 6 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.715 -0.260 17952 2868 1 6 . 1 1 90 90 LYS H H 90 8.231 8.231 8.133 0.098 17952 2869 1 6 . 1 1 91 91 LYS N N 91 119.291 119.291 118.934 0.357 17952 2870 1 6 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.281 -0.233 17952 2871 1 6 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.377 1.794 17952 2872 1 6 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.129 0.090 17952 2873 1 6 . 1 1 91 91 LYS H H 91 8.162 8.162 8.576 -0.414 17952 2874 1 6 . 1 1 92 92 GLY N N 92 112.991 112.991 114.067 -1.076 17952 2875 1 6 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.927 -0.791 17952 2876 1 6 . 1 1 92 92 GLY H H 92 8.783 8.783 9.239 -0.456 17952 2877 1 6 . 1 1 93 93 VAL N N 93 122.937 122.937 119.607 3.330 17952 2878 1 6 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.875 -0.145 17952 2879 1 6 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.242 0.669 17952 2880 1 6 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.308 -1.310 17952 2881 1 6 . 1 1 93 93 VAL H H 93 8.363 8.363 7.540 0.823 17952 2882 1 6 . 1 1 94 94 ALA N N 94 119.882 119.882 118.994 0.888 17952 2883 1 6 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.286 -0.190 17952 2884 1 6 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.841 -0.172 17952 2885 1 6 . 1 1 94 94 ALA H H 94 7.960 7.960 8.056 -0.096 17952 2886 1 6 . 1 1 95 95 ASP N N 95 114.705 114.705 120.449 -5.744 17952 2887 1 6 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.688 -0.196 17952 2888 1 6 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.905 0.956 17952 2889 1 6 . 1 1 95 95 ASP CB C 95 40.883 40.883 40.247 0.636 17952 2890 1 6 . 1 1 95 95 ASP H H 95 7.360 7.360 7.696 -0.336 17952 2891 1 6 . 1 1 96 96 LEU N N 96 120.424 120.424 119.134 1.290 17952 2892 1 6 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.553 -0.095 17952 2893 1 6 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.411 0.946 17952 2894 1 6 . 1 1 96 96 LEU CB C 96 42.433 42.433 44.707 -2.274 17952 2895 1 6 . 1 1 96 96 LEU H H 96 7.389 7.389 7.472 -0.083 17952 2896 1 6 . 1 1 97 97 ASP N N 97 123.018 123.018 121.613 1.405 17952 2897 1 6 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.579 -0.049 17952 2898 1 6 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.225 -1.390 17952 2899 1 6 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.730 -2.228 17952 2900 1 6 . 1 1 97 97 ASP H H 97 8.473 8.473 8.528 -0.055 17952 2901 1 6 . 1 1 98 98 ASN N N 98 117.692 117.692 122.125 -4.433 17952 2902 1 6 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.401 -0.265 17952 2903 1 6 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.844 1.021 17952 2904 1 6 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.627 -1.688 17952 2905 1 6 . 1 1 98 98 ASN H H 98 8.651 8.651 8.719 -0.068 17952 2906 1 6 . 1 1 99 99 ARG N N 99 120.819 120.819 120.958 -0.139 17952 2907 1 6 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.092 -0.039 17952 2908 1 6 . 1 1 99 99 ARG CA C 99 59.498 59.498 59.789 -0.291 17952 2909 1 6 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.331 -1.014 17952 2910 1 6 . 1 1 99 99 ARG H H 99 8.191 8.191 9.150 -0.959 17952 2911 1 6 . 1 1 100 100 ALA N N 100 122.928 122.928 121.881 1.047 17952 2912 1 6 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.086 0.065 17952 2913 1 6 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.666 0.383 17952 2914 1 6 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.300 0.697 17952 2915 1 6 . 1 1 100 100 ALA H H 100 8.524 8.524 7.924 0.600 17952 2916 1 6 . 1 1 101 101 LEU N N 101 120.795 120.795 117.261 3.534 17952 2917 1 6 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.870 0.228 17952 2918 1 6 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.738 0.497 17952 2919 1 6 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.713 -0.204 17952 2920 1 6 . 1 1 101 101 LEU H H 101 8.961 8.961 8.517 0.444 17952 2921 1 6 . 1 1 102 102 SER N N 102 115.314 115.314 114.512 0.802 17952 2922 1 6 . 1 1 102 102 SER HA H 102 4.123 4.123 4.132 -0.009 17952 2923 1 6 . 1 1 102 102 SER CB C 102 62.761 62.761 63.144 -0.383 17952 2924 1 6 . 1 1 102 102 SER H H 102 8.459 8.459 7.793 0.666 17952 2925 1 6 . 1 1 103 103 GLU N N 103 122.468 122.468 118.383 4.085 17952 2926 1 6 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.188 -0.057 17952 2927 1 6 . 1 1 103 103 GLU CA C 103 59.468 59.468 57.115 2.353 17952 2928 1 6 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.560 -0.032 17952 2929 1 6 . 1 1 103 103 GLU H H 103 8.492 8.492 8.322 0.170 17952 2930 1 6 . 1 1 104 104 ALA N N 104 123.159 123.159 120.073 3.086 17952 2931 1 6 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.424 -0.334 17952 2932 1 6 . 1 1 104 104 ALA CA C 104 55.242 55.242 53.856 1.386 17952 2933 1 6 . 1 1 104 104 ALA CB C 104 17.827 17.827 20.518 -2.691 17952 2934 1 6 . 1 1 104 104 ALA H H 104 8.074 8.074 7.350 0.724 17952 2935 1 6 . 1 1 105 105 LEU N N 105 116.602 116.602 121.579 -4.977 17952 2936 1 6 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.043 -0.491 17952 2937 1 6 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.643 0.761 17952 2938 1 6 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.553 0.066 17952 2939 1 6 . 1 1 105 105 LEU H H 105 8.318 8.318 8.247 0.071 17952 2940 1 6 . 1 1 106 106 GLU N N 106 117.564 117.564 118.413 -0.849 17952 2941 1 6 . 1 1 106 106 GLU HA H 106 4.232 4.232 3.996 0.236 17952 2942 1 6 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.493 0.923 17952 2943 1 6 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.958 -0.033 17952 2944 1 6 . 1 1 106 106 GLU H H 106 8.009 8.009 8.233 -0.224 17952 2945 1 6 . 1 1 107 107 LYS N N 107 117.286 117.286 119.695 -2.409 17952 2946 1 6 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.113 -0.139 17952 2947 1 6 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.792 1.115 17952 2948 1 6 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.722 0.659 17952 2949 1 6 . 1 1 107 107 LYS H H 107 7.787 7.787 8.150 -0.363 17952 2950 1 6 . 1 1 108 108 LEU N N 108 120.504 120.504 116.462 4.042 17952 2951 1 6 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.282 -0.303 17952 2952 1 6 . 1 1 108 108 LEU CA C 108 57.817 57.817 58.109 -0.292 17952 2953 1 6 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.204 1.096 17952 2954 1 6 . 1 1 108 108 LEU H H 108 7.875 7.875 7.566 0.309 17952 2955 1 6 . 1 1 109 109 TRP N N 109 120.547 120.547 121.827 -1.280 17952 2956 1 6 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.855 -0.968 17952 2957 1 6 . 1 1 109 109 TRP CB C 109 30.763 30.763 30.369 0.394 17952 2958 1 6 . 1 1 109 109 TRP H H 109 9.048 9.048 8.066 0.982 17952 2959 1 6 . 1 1 110 110 ARG N N 110 117.678 117.678 120.190 -2.512 17952 2960 1 6 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.935 0.139 17952 2961 1 6 . 1 1 110 110 ARG CA C 110 60.243 60.243 60.017 0.226 17952 2962 1 6 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.188 -0.547 17952 2963 1 6 . 1 1 110 110 ARG H H 110 8.425 8.425 8.536 -0.111 17952 2964 1 6 . 1 1 111 111 ARG N N 111 121.156 121.156 118.828 2.328 17952 2965 1 6 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.062 0.113 17952 2966 1 6 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.506 0.562 17952 2967 1 6 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.669 -0.599 17952 2968 1 6 . 1 1 111 111 ARG H H 111 8.100 8.100 8.053 0.047 17952 2969 1 6 . 1 1 112 112 HIS N N 112 118.118 118.118 117.284 0.834 17952 2970 1 6 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.270 0.033 17952 2971 1 6 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.830 2.705 17952 2972 1 6 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.645 1.272 17952 2973 1 6 . 1 1 112 112 HIS H H 112 8.250 8.250 7.560 0.690 17952 2974 1 6 . 1 1 113 113 CYS N N 113 117.579 117.579 118.721 -1.142 17952 2975 1 6 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.942 0.322 17952 2976 1 6 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.980 2.156 17952 2977 1 6 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.518 -0.733 17952 2978 1 6 . 1 1 113 113 CYS H H 113 8.181 8.181 8.529 -0.348 17952 2979 1 6 . 1 1 114 114 ARG N N 114 120.172 120.172 117.761 2.411 17952 2980 1 6 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.261 -0.114 17952 2981 1 6 . 1 1 114 114 ARG CA C 114 59.050 59.050 56.417 2.633 17952 2982 1 6 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.151 0.667 17952 2983 1 6 . 1 1 114 114 ARG H H 114 7.870 7.870 7.730 0.140 17952 2984 1 6 . 1 1 115 115 LEU N N 115 120.720 120.720 119.211 1.509 17952 2985 1 6 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.440 -0.323 17952 2986 1 6 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.480 0.882 17952 2987 1 6 . 1 1 115 115 LEU CB C 115 41.902 41.902 43.485 -1.583 17952 2988 1 6 . 1 1 115 115 LEU H H 115 8.690 8.690 7.350 1.340 17952 2989 1 6 . 1 1 116 116 ALA N N 116 119.118 119.118 122.870 -3.752 17952 2990 1 6 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.017 0.350 17952 2991 1 6 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.527 0.560 17952 2992 1 6 . 1 1 116 116 ALA H H 116 7.751 7.751 8.068 -0.317 17952 2993 1 6 . 1 1 117 117 ARG N N 117 117.010 117.010 118.133 -1.123 17952 2994 1 6 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.213 0.175 17952 2995 1 6 . 1 1 117 117 ARG CA C 117 57.046 57.046 56.177 0.869 17952 2996 1 6 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.158 0.700 17952 2997 1 6 . 1 1 117 117 ARG H H 117 7.602 7.602 7.474 0.128 17952 2998 1 6 . 1 1 118 118 GLY N N 118 108.836 108.836 108.295 0.541 17952 2999 1 6 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.136 0.430 17952 3000 1 6 . 1 1 118 118 GLY H H 118 8.087 8.087 7.598 0.489 17952 3001 1 7 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.475 0.716 17952 3002 1 7 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.479 -1.513 17952 3003 1 7 . 1 1 4 4 LEU N N 4 125.667 125.667 120.579 5.088 17952 3004 1 7 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.044 0.343 17952 3005 1 7 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.583 -0.916 17952 3006 1 7 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.522 1.096 17952 3007 1 7 . 1 1 4 4 LEU H H 4 8.498 8.498 8.234 0.264 17952 3008 1 7 . 1 1 5 5 ALA N N 5 126.419 126.419 121.089 5.330 17952 3009 1 7 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.262 0.109 17952 3010 1 7 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.575 -0.238 17952 3011 1 7 . 1 1 5 5 ALA H H 5 8.435 8.435 7.429 1.006 17952 3012 1 7 . 1 1 6 6 PHE N N 6 124.718 124.718 122.651 2.067 17952 3013 1 7 . 1 1 6 6 PHE H H 6 8.714 8.714 8.467 0.247 17952 3014 1 7 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.373 -0.137 17952 3015 1 7 . 1 1 7 7 PRO CA C 7 63.736 63.736 64.341 -0.605 17952 3016 1 7 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.735 0.667 17952 3017 1 7 . 1 1 8 8 ARG N N 8 124.351 124.351 116.097 8.254 17952 3018 1 7 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.246 -0.462 17952 3019 1 7 . 1 1 8 8 ARG CA C 8 59.972 59.972 56.508 3.464 17952 3020 1 7 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.302 0.955 17952 3021 1 7 . 1 1 8 8 ARG H H 8 8.650 8.650 8.317 0.333 17952 3022 1 7 . 1 1 9 9 GLU N N 9 117.015 117.015 117.265 -0.250 17952 3023 1 7 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.089 0.152 17952 3024 1 7 . 1 1 9 9 GLU CA C 9 58.536 58.536 57.507 1.029 17952 3025 1 7 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.635 -1.349 17952 3026 1 7 . 1 1 9 9 GLU H H 9 9.522 9.522 7.853 1.669 17952 3027 1 7 . 1 1 10 10 LEU N N 10 116.269 116.269 121.997 -5.728 17952 3028 1 7 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.460 0.222 17952 3029 1 7 . 1 1 10 10 LEU CA C 10 54.324 54.324 54.567 -0.243 17952 3030 1 7 . 1 1 10 10 LEU CB C 10 42.305 42.305 39.371 2.934 17952 3031 1 7 . 1 1 10 10 LEU H H 10 7.285 7.285 7.478 -0.193 17952 3032 1 7 . 1 1 11 11 ARG N N 11 116.982 116.982 122.220 -5.238 17952 3033 1 7 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.460 0.585 17952 3034 1 7 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.364 0.307 17952 3035 1 7 . 1 1 11 11 ARG CB C 11 32.827 32.827 33.897 -1.070 17952 3036 1 7 . 1 1 11 11 ARG H H 11 7.618 7.618 7.718 -0.100 17952 3037 1 7 . 1 1 12 12 LEU N N 12 119.127 119.127 124.549 -5.422 17952 3038 1 7 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.315 0.014 17952 3039 1 7 . 1 1 12 12 LEU CA C 12 54.115 54.115 55.711 -1.596 17952 3040 1 7 . 1 1 12 12 LEU CB C 12 41.683 41.683 41.053 0.630 17952 3041 1 7 . 1 1 12 12 LEU H H 12 7.289 7.289 8.479 -1.190 17952 3042 1 7 . 1 1 13 13 LEU N N 13 123.181 123.181 127.144 -3.963 17952 3043 1 7 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.665 0.082 17952 3044 1 7 . 1 1 13 13 LEU CA C 13 56.190 56.190 53.873 2.317 17952 3045 1 7 . 1 1 13 13 LEU CB C 13 46.234 46.234 44.075 2.159 17952 3046 1 7 . 1 1 13 13 LEU H H 13 8.816 8.816 8.031 0.785 17952 3047 1 7 . 1 1 14 14 THR N N 14 111.810 111.810 118.776 -6.966 17952 3048 1 7 . 1 1 14 14 THR HA H 14 5.104 5.104 4.517 0.587 17952 3049 1 7 . 1 1 14 14 THR H H 14 8.321 8.321 8.302 0.019 17952 3050 1 7 . 1 1 16 16 SER HA H 16 4.282 4.282 4.623 -0.341 17952 3051 1 7 . 1 1 16 16 SER CB C 16 62.228 62.228 64.624 -2.396 17952 3052 1 7 . 1 1 17 17 GLN N N 17 122.336 122.336 124.213 -1.877 17952 3053 1 7 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.148 -0.070 17952 3054 1 7 . 1 1 17 17 GLN CA C 17 58.122 58.122 57.415 0.707 17952 3055 1 7 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.494 0.609 17952 3056 1 7 . 1 1 17 17 GLN H H 17 7.967 7.967 8.780 -0.813 17952 3057 1 7 . 1 1 18 18 PHE N N 18 119.658 119.658 118.503 1.155 17952 3058 1 7 . 1 1 18 18 PHE CA C 18 61.640 61.640 60.159 1.481 17952 3059 1 7 . 1 1 18 18 PHE CB C 18 38.490 38.490 39.419 -0.929 17952 3060 1 7 . 1 1 18 18 PHE H H 18 7.733 7.733 7.520 0.213 17952 3061 1 7 . 1 1 19 19 THR N N 19 116.141 116.141 117.246 -1.105 17952 3062 1 7 . 1 1 19 19 THR HA H 19 3.911 3.911 4.538 -0.627 17952 3063 1 7 . 1 1 19 19 THR CA C 19 67.058 67.058 65.924 1.134 17952 3064 1 7 . 1 1 19 19 THR CB C 19 68.790 68.790 68.293 0.497 17952 3065 1 7 . 1 1 19 19 THR H H 19 8.622 8.622 8.194 0.428 17952 3066 1 7 . 1 1 20 20 PHE N N 20 119.904 119.904 123.680 -3.776 17952 3067 1 7 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.293 -0.144 17952 3068 1 7 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.195 0.065 17952 3069 1 7 . 1 1 20 20 PHE H H 20 7.728 7.728 7.789 -0.061 17952 3070 1 7 . 1 1 21 21 VAL N N 21 117.896 117.896 113.170 4.726 17952 3071 1 7 . 1 1 21 21 VAL HA H 21 3.082 3.082 4.027 -0.945 17952 3072 1 7 . 1 1 21 21 VAL CA C 21 66.336 66.336 63.979 2.357 17952 3073 1 7 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.524 0.065 17952 3074 1 7 . 1 1 21 21 VAL H H 21 6.861 6.861 7.955 -1.094 17952 3075 1 7 . 1 1 22 22 PHE N N 22 114.352 114.352 120.735 -6.383 17952 3076 1 7 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.493 -0.482 17952 3077 1 7 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.889 -0.305 17952 3078 1 7 . 1 1 22 22 PHE H H 22 7.653 7.653 7.923 -0.270 17952 3079 1 7 . 1 1 23 23 GLN N N 23 116.245 116.245 118.606 -2.361 17952 3080 1 7 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.275 -0.242 17952 3081 1 7 . 1 1 23 23 GLN CA C 23 58.415 58.415 56.877 1.538 17952 3082 1 7 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.345 -0.395 17952 3083 1 7 . 1 1 23 23 GLN H H 23 7.928 7.928 7.595 0.334 17952 3084 1 7 . 1 1 24 24 GLN N N 24 114.087 114.087 117.641 -3.554 17952 3085 1 7 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.639 -0.214 17952 3086 1 7 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.463 1.228 17952 3087 1 7 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.004 -0.547 17952 3088 1 7 . 1 1 24 24 GLN H H 24 6.731 6.731 8.225 -1.494 17952 3089 1 7 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.634 0.394 17952 3090 1 7 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.752 1.427 17952 3091 1 7 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.384 -0.807 17952 3092 1 7 . 1 1 26 26 GLN N N 26 120.107 120.107 119.689 0.418 17952 3093 1 7 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.056 1.223 17952 3094 1 7 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.830 0.726 17952 3095 1 7 . 1 1 26 26 GLN H H 26 9.622 9.622 8.634 0.988 17952 3096 1 7 . 1 1 27 27 ARG N N 27 125.712 125.712 127.780 -2.068 17952 3097 1 7 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.526 0.694 17952 3098 1 7 . 1 1 27 27 ARG CA C 27 56.125 56.125 56.404 -0.279 17952 3099 1 7 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.818 3.823 17952 3100 1 7 . 1 1 27 27 ARG H H 27 9.068 9.068 8.966 0.102 17952 3101 1 7 . 1 1 28 28 ALA N N 28 123.402 123.402 129.822 -6.420 17952 3102 1 7 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.668 -0.154 17952 3103 1 7 . 1 1 28 28 ALA CB C 28 21.919 21.919 19.269 2.650 17952 3104 1 7 . 1 1 28 28 ALA H H 28 8.102 8.102 8.593 -0.491 17952 3105 1 7 . 1 1 29 29 GLY N N 29 109.532 109.532 110.943 -1.411 17952 3106 1 7 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.773 1.111 17952 3107 1 7 . 1 1 29 29 GLY H H 29 8.572 8.572 7.828 0.744 17952 3108 1 7 . 1 1 30 30 THR N N 30 113.168 113.168 111.059 2.109 17952 3109 1 7 . 1 1 30 30 THR HA H 30 4.953 4.953 5.093 -0.140 17952 3110 1 7 . 1 1 30 30 THR H H 30 9.199 9.199 8.451 0.748 17952 3111 1 7 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.301 -0.004 17952 3112 1 7 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.091 0.420 17952 3113 1 7 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.999 -1.016 17952 3114 1 7 . 1 1 32 32 GLN N N 32 110.281 110.281 113.053 -2.772 17952 3115 1 7 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.266 -0.071 17952 3116 1 7 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.451 2.027 17952 3117 1 7 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.741 -0.745 17952 3118 1 7 . 1 1 32 32 GLN H H 32 7.403 7.403 7.771 -0.368 17952 3119 1 7 . 1 1 33 33 ILE N N 33 118.254 118.254 120.788 -2.534 17952 3120 1 7 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.134 0.106 17952 3121 1 7 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.614 3.177 17952 3122 1 7 . 1 1 33 33 ILE H H 33 7.353 7.353 7.534 -0.181 17952 3123 1 7 . 1 1 34 34 THR N N 34 122.650 122.650 126.854 -4.204 17952 3124 1 7 . 1 1 34 34 THR HA H 34 4.946 4.946 4.692 0.254 17952 3125 1 7 . 1 1 34 34 THR CA C 34 61.792 61.792 61.762 0.030 17952 3126 1 7 . 1 1 34 34 THR CB C 34 71.752 71.752 69.511 2.241 17952 3127 1 7 . 1 1 34 34 THR H H 34 8.787 8.787 8.580 0.207 17952 3128 1 7 . 1 1 35 35 ILE N N 35 123.778 123.778 129.233 -5.455 17952 3129 1 7 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.381 0.780 17952 3130 1 7 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.851 0.862 17952 3131 1 7 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.492 1.551 17952 3132 1 7 . 1 1 35 35 ILE H H 35 9.109 9.109 8.891 0.218 17952 3133 1 7 . 1 1 36 36 LEU N N 36 132.558 132.558 129.503 3.055 17952 3134 1 7 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.591 1.043 17952 3135 1 7 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.534 -0.290 17952 3136 1 7 . 1 1 36 36 LEU CB C 36 44.498 44.498 39.731 4.766 17952 3137 1 7 . 1 1 36 36 LEU H H 36 9.500 9.500 8.783 0.717 17952 3138 1 7 . 1 1 37 37 GLY N N 37 106.940 106.940 111.709 -4.769 17952 3139 1 7 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.141 1.117 17952 3140 1 7 . 1 1 37 37 GLY H H 37 9.058 9.058 8.975 0.083 17952 3141 1 7 . 1 1 38 38 ARG N N 38 121.378 121.378 120.178 1.200 17952 3142 1 7 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.639 0.013 17952 3143 1 7 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.289 0.996 17952 3144 1 7 . 1 1 38 38 ARG CB C 38 35.176 35.176 32.546 2.630 17952 3145 1 7 . 1 1 38 38 ARG H H 38 8.384 8.384 8.537 -0.153 17952 3146 1 7 . 1 1 39 39 LEU N N 39 129.596 129.596 120.764 8.832 17952 3147 1 7 . 1 1 39 39 LEU CB C 39 42.472 42.472 42.105 0.367 17952 3148 1 7 . 1 1 39 39 LEU H H 39 9.030 9.030 8.780 0.250 17952 3149 1 7 . 1 1 40 40 ASN N N 40 119.921 119.921 119.024 0.897 17952 3150 1 7 . 1 1 40 40 ASN CA C 40 51.546 51.546 53.571 -2.025 17952 3151 1 7 . 1 1 40 40 ASN CB C 40 41.088 41.088 38.567 2.521 17952 3152 1 7 . 1 1 40 40 ASN H H 40 8.186 8.186 7.961 0.225 17952 3153 1 7 . 1 1 41 41 SER N N 41 112.600 112.600 120.390 -7.790 17952 3154 1 7 . 1 1 41 41 SER HA H 41 4.484 4.484 4.501 -0.017 17952 3155 1 7 . 1 1 41 41 SER CB C 41 62.949 62.949 63.342 -0.393 17952 3156 1 7 . 1 1 41 41 SER H H 41 8.646 8.646 8.422 0.224 17952 3157 1 7 . 1 1 42 42 LEU N N 42 120.612 120.612 127.388 -6.776 17952 3158 1 7 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.555 -0.221 17952 3159 1 7 . 1 1 42 42 LEU CA C 42 54.828 54.828 53.977 0.851 17952 3160 1 7 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.184 1.529 17952 3161 1 7 . 1 1 42 42 LEU H H 42 8.538 8.538 8.346 0.192 17952 3162 1 7 . 1 1 43 43 GLY N N 43 105.922 105.922 107.318 -1.396 17952 3163 1 7 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.714 -0.443 17952 3164 1 7 . 1 1 43 43 GLY H H 43 8.317 8.317 8.142 0.175 17952 3165 1 7 . 1 1 44 44 HIS N N 44 114.144 114.144 118.737 -4.593 17952 3166 1 7 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.805 0.260 17952 3167 1 7 . 1 1 44 44 HIS H H 44 7.145 7.145 8.110 -0.965 17952 3168 1 7 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.894 0.509 17952 3169 1 7 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.764 -0.203 17952 3170 1 7 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.721 1.376 17952 3171 1 7 . 1 1 46 46 ARG N N 46 116.294 116.294 125.264 -8.970 17952 3172 1 7 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.718 0.438 17952 3173 1 7 . 1 1 46 46 ARG CA C 46 56.154 56.154 55.336 0.818 17952 3174 1 7 . 1 1 46 46 ARG CB C 46 37.970 37.970 34.872 3.098 17952 3175 1 7 . 1 1 46 46 ARG H H 46 8.919 8.919 8.369 0.550 17952 3176 1 7 . 1 1 47 47 ILE N N 47 117.069 117.069 123.504 -6.435 17952 3177 1 7 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.676 1.008 17952 3178 1 7 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.090 -0.270 17952 3179 1 7 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.760 1.952 17952 3180 1 7 . 1 1 47 47 ILE H H 47 9.106 9.106 8.362 0.744 17952 3181 1 7 . 1 1 48 48 GLY N N 48 116.903 116.903 118.324 -1.421 17952 3182 1 7 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.129 0.400 17952 3183 1 7 . 1 1 48 48 GLY H H 48 9.276 9.276 9.348 -0.072 17952 3184 1 7 . 1 1 49 49 LEU N N 49 123.729 123.729 128.518 -4.789 17952 3185 1 7 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.649 0.792 17952 3186 1 7 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.747 -0.385 17952 3187 1 7 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.163 3.382 17952 3188 1 7 . 1 1 49 49 LEU H H 49 8.957 8.957 7.975 0.982 17952 3189 1 7 . 1 1 50 50 THR N N 50 120.870 120.870 125.147 -4.277 17952 3190 1 7 . 1 1 50 50 THR HA H 50 4.616 4.616 4.481 0.135 17952 3191 1 7 . 1 1 50 50 THR H H 50 9.419 9.419 9.058 0.361 17952 3192 1 7 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.353 0.003 17952 3193 1 7 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.403 -0.293 17952 3194 1 7 . 1 1 51 51 VAL CB C 51 32.291 32.291 33.337 -1.046 17952 3195 1 7 . 1 1 52 52 ALA N N 52 129.415 129.415 130.076 -0.661 17952 3196 1 7 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.910 -1.598 17952 3197 1 7 . 1 1 52 52 ALA H H 52 9.046 9.046 8.553 0.493 17952 3198 1 7 . 1 1 53 53 LYS N N 53 125.023 125.023 123.126 1.897 17952 3199 1 7 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.393 -0.304 17952 3200 1 7 . 1 1 53 53 LYS CA C 53 58.735 58.735 56.607 2.128 17952 3201 1 7 . 1 1 53 53 LYS CB C 53 32.096 32.096 29.883 2.213 17952 3202 1 7 . 1 1 53 53 LYS H H 53 8.811 8.811 8.793 0.018 17952 3203 1 7 . 1 1 54 54 LYS N N 54 114.126 114.126 118.525 -4.399 17952 3204 1 7 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.394 -0.353 17952 3205 1 7 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.113 0.840 17952 3206 1 7 . 1 1 54 54 LYS CB C 54 31.930 31.930 33.752 -1.822 17952 3207 1 7 . 1 1 54 54 LYS H H 54 8.073 8.073 8.358 -0.285 17952 3208 1 7 . 1 1 55 55 ASN N N 55 115.234 115.234 118.793 -3.559 17952 3209 1 7 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.685 0.173 17952 3210 1 7 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.675 -0.898 17952 3211 1 7 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.416 0.113 17952 3212 1 7 . 1 1 55 55 ASN H H 55 7.434 7.434 7.858 -0.424 17952 3213 1 7 . 1 1 56 56 VAL N N 56 121.000 121.000 122.608 -1.608 17952 3214 1 7 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.207 -0.034 17952 3215 1 7 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.941 -0.180 17952 3216 1 7 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.289 1.744 17952 3217 1 7 . 1 1 56 56 VAL H H 56 7.764 7.764 7.526 0.238 17952 3218 1 7 . 1 1 57 57 ARG N N 57 125.781 125.781 127.817 -2.036 17952 3219 1 7 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.579 -0.379 17952 3220 1 7 . 1 1 57 57 ARG CA C 57 58.646 58.646 55.678 2.968 17952 3221 1 7 . 1 1 57 57 ARG CB C 57 31.004 31.004 29.763 1.241 17952 3222 1 7 . 1 1 57 57 ARG H H 57 8.441 8.441 8.714 -0.273 17952 3223 1 7 . 1 1 58 58 ARG N N 58 118.159 118.159 121.730 -3.571 17952 3224 1 7 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.683 -0.089 17952 3225 1 7 . 1 1 58 58 ARG H H 58 8.250 8.250 7.824 0.426 17952 3226 1 7 . 1 1 60 60 HIS N N 60 116.957 116.957 118.437 -1.480 17952 3227 1 7 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.405 0.030 17952 3228 1 7 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.864 0.742 17952 3229 1 7 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.652 0.295 17952 3230 1 7 . 1 1 60 60 HIS H H 60 7.600 7.600 8.350 -0.750 17952 3231 1 7 . 1 1 61 61 GLU N N 61 119.542 119.542 118.887 0.655 17952 3232 1 7 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.156 0.273 17952 3233 1 7 . 1 1 61 61 GLU CA C 61 57.628 57.628 58.322 -0.694 17952 3234 1 7 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.199 1.606 17952 3235 1 7 . 1 1 61 61 GLU H H 61 6.702 6.702 9.017 -2.315 17952 3236 1 7 . 1 1 62 62 ARG N N 62 120.227 120.227 119.977 0.250 17952 3237 1 7 . 1 1 62 62 ARG HA H 62 3.733 3.733 3.983 -0.250 17952 3238 1 7 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.470 2.061 17952 3239 1 7 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.267 -0.655 17952 3240 1 7 . 1 1 62 62 ARG H H 62 7.951 7.951 7.666 0.285 17952 3241 1 7 . 1 1 63 63 ASN N N 63 116.757 116.757 116.755 0.002 17952 3242 1 7 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.599 -0.165 17952 3243 1 7 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.334 0.874 17952 3244 1 7 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.355 -0.530 17952 3245 1 7 . 1 1 63 63 ASN H H 63 8.365 8.365 7.785 0.580 17952 3246 1 7 . 1 1 64 64 ARG N N 64 123.093 123.093 120.666 2.427 17952 3247 1 7 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.023 0.033 17952 3248 1 7 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.630 0.507 17952 3249 1 7 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.206 0.626 17952 3250 1 7 . 1 1 64 64 ARG H H 64 7.770 7.770 7.414 0.356 17952 3251 1 7 . 1 1 65 65 ILE N N 65 117.911 117.911 118.456 -0.545 17952 3252 1 7 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.876 -0.351 17952 3253 1 7 . 1 1 65 65 ILE CA C 65 64.715 64.715 62.946 1.769 17952 3254 1 7 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.776 0.869 17952 3255 1 7 . 1 1 65 65 ILE H H 65 8.121 8.121 8.172 -0.051 17952 3256 1 7 . 1 1 66 66 LYS N N 66 122.635 122.635 120.838 1.797 17952 3257 1 7 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.160 -0.389 17952 3258 1 7 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.588 1.347 17952 3259 1 7 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.304 0.120 17952 3260 1 7 . 1 1 66 66 LYS H H 66 8.337 8.337 7.501 0.836 17952 3261 1 7 . 1 1 67 67 ARG N N 67 119.137 119.137 119.635 -0.498 17952 3262 1 7 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.028 -0.020 17952 3263 1 7 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.862 0.127 17952 3264 1 7 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.238 -0.204 17952 3265 1 7 . 1 1 67 67 ARG H H 67 8.257 8.257 8.140 0.117 17952 3266 1 7 . 1 1 68 68 LEU N N 68 119.084 119.084 120.240 -1.156 17952 3267 1 7 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.167 -0.059 17952 3268 1 7 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.184 -0.162 17952 3269 1 7 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.515 0.087 17952 3270 1 7 . 1 1 68 68 LEU H H 68 8.427 8.427 7.785 0.642 17952 3271 1 7 . 1 1 69 69 THR N N 69 118.019 118.019 112.071 5.948 17952 3272 1 7 . 1 1 69 69 THR CA C 69 67.701 67.701 66.107 1.594 17952 3273 1 7 . 1 1 69 69 THR H H 69 8.433 8.433 7.936 0.497 17952 3274 1 7 . 1 1 70 70 ARG N N 70 122.713 122.713 121.226 1.487 17952 3275 1 7 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.642 1.768 17952 3276 1 7 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.012 0.038 17952 3277 1 7 . 1 1 70 70 ARG H H 70 8.346 8.346 7.828 0.518 17952 3278 1 7 . 1 1 71 71 GLU N N 71 118.890 118.890 119.133 -0.243 17952 3279 1 7 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.132 0.134 17952 3280 1 7 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.499 -0.018 17952 3281 1 7 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.606 -0.290 17952 3282 1 7 . 1 1 71 71 GLU H H 71 8.334 8.334 7.927 0.407 17952 3283 1 7 . 1 1 72 72 SER N N 72 114.922 114.922 115.428 -0.506 17952 3284 1 7 . 1 1 72 72 SER HA H 72 4.243 4.243 4.461 -0.218 17952 3285 1 7 . 1 1 72 72 SER CA C 72 61.292 61.292 61.063 0.229 17952 3286 1 7 . 1 1 72 72 SER CB C 72 63.065 63.065 63.207 -0.142 17952 3287 1 7 . 1 1 72 72 SER H H 72 8.205 8.205 7.739 0.466 17952 3288 1 7 . 1 1 73 73 PHE N N 73 122.665 122.665 123.318 -0.653 17952 3289 1 7 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.249 -1.140 17952 3290 1 7 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.386 0.149 17952 3291 1 7 . 1 1 73 73 PHE H H 73 7.788 7.788 8.172 -0.384 17952 3292 1 7 . 1 1 74 74 ARG N N 74 119.417 119.417 119.447 -0.030 17952 3293 1 7 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.112 -0.215 17952 3294 1 7 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.968 0.233 17952 3295 1 7 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.557 -0.576 17952 3296 1 7 . 1 1 74 74 ARG H H 74 8.580 8.580 8.084 0.496 17952 3297 1 7 . 1 1 75 75 LEU N N 75 117.144 117.144 119.327 -2.183 17952 3298 1 7 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.198 -0.102 17952 3299 1 7 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.805 0.412 17952 3300 1 7 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.224 0.564 17952 3301 1 7 . 1 1 75 75 LEU H H 75 7.903 7.903 7.731 0.172 17952 3302 1 7 . 1 1 76 76 ARG N N 76 113.888 113.888 116.619 -2.731 17952 3303 1 7 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.077 0.346 17952 3304 1 7 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.390 0.097 17952 3305 1 7 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.767 2.099 17952 3306 1 7 . 1 1 76 76 ARG H H 76 6.736 6.736 7.599 -0.863 17952 3307 1 7 . 1 1 77 77 GLN N N 77 120.009 120.009 119.956 0.053 17952 3308 1 7 . 1 1 77 77 GLN CA C 77 60.256 60.256 56.217 4.039 17952 3309 1 7 . 1 1 77 77 GLN CB C 77 28.588 28.588 26.888 1.700 17952 3310 1 7 . 1 1 77 77 GLN H H 77 7.273 7.273 7.310 -0.037 17952 3311 1 7 . 1 1 78 78 HIS N N 78 114.954 114.954 122.855 -7.901 17952 3312 1 7 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.489 -0.044 17952 3313 1 7 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.791 1.009 17952 3314 1 7 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.347 -0.945 17952 3315 1 7 . 1 1 78 78 HIS H H 78 8.389 8.389 8.406 -0.017 17952 3316 1 7 . 1 1 79 79 GLU N N 79 118.231 118.231 119.027 -0.796 17952 3317 1 7 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.196 0.211 17952 3318 1 7 . 1 1 79 79 GLU CA C 79 55.392 55.392 57.812 -2.420 17952 3319 1 7 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.572 0.724 17952 3320 1 7 . 1 1 79 79 GLU H H 79 7.717 7.717 8.015 -0.298 17952 3321 1 7 . 1 1 80 80 LEU N N 80 119.751 119.751 116.488 3.263 17952 3322 1 7 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.804 -0.250 17952 3323 1 7 . 1 1 80 80 LEU H H 80 6.859 6.859 7.136 -0.277 17952 3324 1 7 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.369 0.202 17952 3325 1 7 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.873 -1.148 17952 3326 1 7 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.483 -0.151 17952 3327 1 7 . 1 1 82 82 ALA N N 82 122.525 122.525 129.445 -6.920 17952 3328 1 7 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.466 -0.708 17952 3329 1 7 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.418 -2.510 17952 3330 1 7 . 1 1 82 82 ALA H H 82 8.425 8.425 8.352 0.073 17952 3331 1 7 . 1 1 83 83 MET N N 83 122.963 122.963 120.346 2.617 17952 3332 1 7 . 1 1 83 83 MET HA H 83 4.387 4.387 4.590 -0.203 17952 3333 1 7 . 1 1 83 83 MET CA C 83 54.002 54.002 52.968 1.034 17952 3334 1 7 . 1 1 83 83 MET CB C 83 35.655 35.655 35.707 -0.052 17952 3335 1 7 . 1 1 83 83 MET H H 83 7.851 7.851 7.837 0.014 17952 3336 1 7 . 1 1 84 84 ASP N N 84 121.733 121.733 121.966 -0.233 17952 3337 1 7 . 1 1 84 84 ASP HA H 84 4.752 4.752 5.032 -0.280 17952 3338 1 7 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.211 0.428 17952 3339 1 7 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.398 0.592 17952 3340 1 7 . 1 1 84 84 ASP H H 84 8.393 8.393 8.486 -0.093 17952 3341 1 7 . 1 1 85 85 PHE N N 85 121.368 121.368 125.063 -3.695 17952 3342 1 7 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.904 1.052 17952 3343 1 7 . 1 1 85 85 PHE CB C 85 42.080 42.080 41.745 0.335 17952 3344 1 7 . 1 1 85 85 PHE H H 85 8.849 8.849 9.050 -0.201 17952 3345 1 7 . 1 1 86 86 VAL N N 86 120.431 120.431 123.715 -3.284 17952 3346 1 7 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.814 -0.198 17952 3347 1 7 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.807 0.067 17952 3348 1 7 . 1 1 86 86 VAL CB C 86 34.882 34.882 33.585 1.297 17952 3349 1 7 . 1 1 86 86 VAL H H 86 9.407 9.407 8.398 1.009 17952 3350 1 7 . 1 1 87 87 VAL N N 87 127.860 127.860 130.148 -2.288 17952 3351 1 7 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.529 0.088 17952 3352 1 7 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.267 0.153 17952 3353 1 7 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.183 -1.061 17952 3354 1 7 . 1 1 87 87 VAL H H 87 8.843 8.843 9.147 -0.304 17952 3355 1 7 . 1 1 88 88 VAL N N 88 128.150 128.150 129.131 -0.981 17952 3356 1 7 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.909 -0.254 17952 3357 1 7 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.484 0.780 17952 3358 1 7 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.899 0.540 17952 3359 1 7 . 1 1 88 88 VAL H H 88 9.538 9.538 8.996 0.542 17952 3360 1 7 . 1 1 89 89 ALA N N 89 128.337 128.337 131.896 -3.559 17952 3361 1 7 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.707 -0.103 17952 3362 1 7 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.089 0.782 17952 3363 1 7 . 1 1 89 89 ALA H H 89 8.170 8.170 8.016 0.154 17952 3364 1 7 . 1 1 90 90 LYS N N 90 123.110 123.110 124.280 -1.170 17952 3365 1 7 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.683 -0.206 17952 3366 1 7 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.770 1.340 17952 3367 1 7 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.496 -1.041 17952 3368 1 7 . 1 1 90 90 LYS H H 90 8.231 8.231 8.826 -0.595 17952 3369 1 7 . 1 1 91 91 LYS N N 91 119.291 119.291 118.485 0.806 17952 3370 1 7 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.281 -0.233 17952 3371 1 7 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.443 1.728 17952 3372 1 7 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.343 -0.124 17952 3373 1 7 . 1 1 91 91 LYS H H 91 8.162 8.162 8.610 -0.448 17952 3374 1 7 . 1 1 92 92 GLY N N 92 112.991 112.991 111.753 1.238 17952 3375 1 7 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.772 -0.636 17952 3376 1 7 . 1 1 92 92 GLY H H 92 8.783 8.783 8.740 0.043 17952 3377 1 7 . 1 1 93 93 VAL N N 93 122.937 122.937 118.740 4.197 17952 3378 1 7 . 1 1 93 93 VAL HA H 93 3.730 3.730 4.005 -0.275 17952 3379 1 7 . 1 1 93 93 VAL CA C 93 64.911 64.911 63.546 1.365 17952 3380 1 7 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.715 -1.717 17952 3381 1 7 . 1 1 93 93 VAL H H 93 8.363 8.363 7.548 0.815 17952 3382 1 7 . 1 1 94 94 ALA N N 94 119.882 119.882 120.326 -0.444 17952 3383 1 7 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.254 -0.158 17952 3384 1 7 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.001 -0.332 17952 3385 1 7 . 1 1 94 94 ALA H H 94 7.960 7.960 7.955 0.005 17952 3386 1 7 . 1 1 95 95 ASP N N 95 114.705 114.705 119.336 -4.631 17952 3387 1 7 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.791 -0.299 17952 3388 1 7 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.607 1.254 17952 3389 1 7 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.365 -0.482 17952 3390 1 7 . 1 1 95 95 ASP H H 95 7.360 7.360 7.978 -0.618 17952 3391 1 7 . 1 1 96 96 LEU N N 96 120.424 120.424 122.243 -1.819 17952 3392 1 7 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.728 -0.270 17952 3393 1 7 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.223 1.134 17952 3394 1 7 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.853 -1.420 17952 3395 1 7 . 1 1 96 96 LEU H H 96 7.389 7.389 7.962 -0.573 17952 3396 1 7 . 1 1 97 97 ASP N N 97 123.018 123.018 119.811 3.207 17952 3397 1 7 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.650 -0.120 17952 3398 1 7 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.152 -1.317 17952 3399 1 7 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.182 -1.681 17952 3400 1 7 . 1 1 97 97 ASP H H 97 8.473 8.473 8.440 0.033 17952 3401 1 7 . 1 1 98 98 ASN N N 98 117.692 117.692 118.329 -0.637 17952 3402 1 7 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.480 -0.344 17952 3403 1 7 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.977 0.888 17952 3404 1 7 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.509 -1.569 17952 3405 1 7 . 1 1 98 98 ASN H H 98 8.651 8.651 8.723 -0.072 17952 3406 1 7 . 1 1 99 99 ARG N N 99 120.819 120.819 119.632 1.187 17952 3407 1 7 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.361 -0.308 17952 3408 1 7 . 1 1 99 99 ARG CA C 99 59.498 59.498 57.178 2.320 17952 3409 1 7 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.137 -0.820 17952 3410 1 7 . 1 1 99 99 ARG H H 99 8.191 8.191 8.301 -0.110 17952 3411 1 7 . 1 1 100 100 ALA N N 100 122.928 122.928 122.225 0.703 17952 3412 1 7 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.124 0.027 17952 3413 1 7 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.472 0.577 17952 3414 1 7 . 1 1 100 100 ALA CB C 100 18.997 18.997 17.951 1.046 17952 3415 1 7 . 1 1 100 100 ALA H H 100 8.524 8.524 8.150 0.374 17952 3416 1 7 . 1 1 101 101 LEU N N 101 120.795 120.795 114.201 6.594 17952 3417 1 7 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.090 0.008 17952 3418 1 7 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.547 0.688 17952 3419 1 7 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.145 0.364 17952 3420 1 7 . 1 1 101 101 LEU H H 101 8.961 8.961 7.467 1.494 17952 3421 1 7 . 1 1 102 102 SER N N 102 115.314 115.314 115.524 -0.210 17952 3422 1 7 . 1 1 102 102 SER HA H 102 4.123 4.123 4.138 -0.015 17952 3423 1 7 . 1 1 102 102 SER CB C 102 62.761 62.761 62.770 -0.008 17952 3424 1 7 . 1 1 102 102 SER H H 102 8.459 8.459 7.868 0.591 17952 3425 1 7 . 1 1 103 103 GLU N N 103 122.468 122.468 120.537 1.931 17952 3426 1 7 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.157 -0.027 17952 3427 1 7 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.134 1.334 17952 3428 1 7 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.499 0.029 17952 3429 1 7 . 1 1 103 103 GLU H H 103 8.492 8.492 7.937 0.555 17952 3430 1 7 . 1 1 104 104 ALA N N 104 123.159 123.159 120.577 2.582 17952 3431 1 7 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.443 -0.353 17952 3432 1 7 . 1 1 104 104 ALA CA C 104 55.242 55.242 53.079 2.163 17952 3433 1 7 . 1 1 104 104 ALA CB C 104 17.827 17.827 19.862 -2.035 17952 3434 1 7 . 1 1 104 104 ALA H H 104 8.074 8.074 7.276 0.798 17952 3435 1 7 . 1 1 105 105 LEU N N 105 116.602 116.602 121.459 -4.857 17952 3436 1 7 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.061 -0.509 17952 3437 1 7 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.124 0.280 17952 3438 1 7 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.123 -0.504 17952 3439 1 7 . 1 1 105 105 LEU H H 105 8.318 8.318 7.707 0.611 17952 3440 1 7 . 1 1 106 106 GLU N N 106 117.564 117.564 117.448 0.116 17952 3441 1 7 . 1 1 106 106 GLU HA H 106 4.232 4.232 3.296 0.936 17952 3442 1 7 . 1 1 106 106 GLU CA C 106 60.416 60.416 58.875 1.541 17952 3443 1 7 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.683 0.242 17952 3444 1 7 . 1 1 106 106 GLU H H 106 8.009 8.009 7.990 0.019 17952 3445 1 7 . 1 1 107 107 LYS N N 107 117.286 117.286 119.224 -1.938 17952 3446 1 7 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.220 -0.246 17952 3447 1 7 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.221 1.686 17952 3448 1 7 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.483 0.898 17952 3449 1 7 . 1 1 107 107 LYS H H 107 7.787 7.787 8.293 -0.506 17952 3450 1 7 . 1 1 108 108 LEU N N 108 120.504 120.504 117.756 2.748 17952 3451 1 7 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.425 -0.446 17952 3452 1 7 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.654 0.163 17952 3453 1 7 . 1 1 108 108 LEU CB C 108 42.300 42.300 40.589 1.711 17952 3454 1 7 . 1 1 108 108 LEU H H 108 7.875 7.875 7.499 0.376 17952 3455 1 7 . 1 1 109 109 TRP N N 109 120.547 120.547 120.449 0.098 17952 3456 1 7 . 1 1 109 109 TRP CA C 109 59.887 59.887 61.798 -1.911 17952 3457 1 7 . 1 1 109 109 TRP CB C 109 30.763 30.763 28.601 2.163 17952 3458 1 7 . 1 1 109 109 TRP H H 109 9.048 9.048 7.912 1.136 17952 3459 1 7 . 1 1 110 110 ARG N N 110 117.678 117.678 119.060 -1.382 17952 3460 1 7 . 1 1 110 110 ARG HA H 110 4.074 4.074 4.378 -0.304 17952 3461 1 7 . 1 1 110 110 ARG CA C 110 60.243 60.243 58.672 1.571 17952 3462 1 7 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.890 -0.249 17952 3463 1 7 . 1 1 110 110 ARG H H 110 8.425 8.425 7.832 0.593 17952 3464 1 7 . 1 1 111 111 ARG N N 111 121.156 121.156 120.589 0.567 17952 3465 1 7 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.105 0.070 17952 3466 1 7 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.724 0.344 17952 3467 1 7 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.978 -0.908 17952 3468 1 7 . 1 1 111 111 ARG H H 111 8.100 8.100 8.310 -0.210 17952 3469 1 7 . 1 1 112 112 HIS N N 112 118.118 118.118 117.403 0.715 17952 3470 1 7 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.521 -0.218 17952 3471 1 7 . 1 1 112 112 HIS CA C 112 61.535 61.535 57.419 4.116 17952 3472 1 7 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.266 1.651 17952 3473 1 7 . 1 1 112 112 HIS H H 112 8.250 8.250 8.277 -0.026 17952 3474 1 7 . 1 1 113 113 CYS N N 113 117.579 117.579 117.133 0.446 17952 3475 1 7 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.509 -0.245 17952 3476 1 7 . 1 1 113 113 CYS CA C 113 64.136 64.136 59.299 4.837 17952 3477 1 7 . 1 1 113 113 CYS CB C 113 26.785 26.785 28.349 -1.565 17952 3478 1 7 . 1 1 113 113 CYS H H 113 8.181 8.181 7.928 0.253 17952 3479 1 7 . 1 1 114 114 ARG N N 114 120.172 120.172 118.991 1.181 17952 3480 1 7 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.247 -0.100 17952 3481 1 7 . 1 1 114 114 ARG CA C 114 59.050 59.050 57.480 1.570 17952 3482 1 7 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.457 0.361 17952 3483 1 7 . 1 1 114 114 ARG H H 114 7.870 7.870 7.981 -0.111 17952 3484 1 7 . 1 1 115 115 LEU N N 115 120.720 120.720 116.113 4.607 17952 3485 1 7 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.227 -0.110 17952 3486 1 7 . 1 1 115 115 LEU CA C 115 57.362 57.362 54.233 3.129 17952 3487 1 7 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.367 0.535 17952 3488 1 7 . 1 1 115 115 LEU H H 115 8.690 8.690 7.397 1.293 17952 3489 1 7 . 1 1 116 116 ALA N N 116 119.118 119.118 120.619 -1.501 17952 3490 1 7 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.553 -0.186 17952 3491 1 7 . 1 1 116 116 ALA CB C 116 19.088 19.088 20.207 -1.119 17952 3492 1 7 . 1 1 116 116 ALA H H 116 7.751 7.751 7.624 0.127 17952 3493 1 7 . 1 1 117 117 ARG N N 117 117.010 117.010 117.281 -0.271 17952 3494 1 7 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.613 -0.225 17952 3495 1 7 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.496 1.550 17952 3496 1 7 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.789 0.069 17952 3497 1 7 . 1 1 117 117 ARG H H 117 7.602 7.602 8.077 -0.475 17952 3498 1 7 . 1 1 118 118 GLY N N 118 108.836 108.836 109.206 -0.370 17952 3499 1 7 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.511 1.055 17952 3500 1 7 . 1 1 118 118 GLY H H 118 8.087 8.087 7.538 0.549 17952 3501 1 8 . 1 1 3 3 LYS CA C 3 56.191 56.191 56.302 -0.111 17952 3502 1 8 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.981 -2.015 17952 3503 1 8 . 1 1 4 4 LEU N N 4 125.667 125.667 123.433 2.234 17952 3504 1 8 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.099 0.288 17952 3505 1 8 . 1 1 4 4 LEU CA C 4 54.667 54.667 56.146 -1.479 17952 3506 1 8 . 1 1 4 4 LEU CB C 4 42.618 42.618 42.500 0.118 17952 3507 1 8 . 1 1 4 4 LEU H H 4 8.498 8.498 8.674 -0.176 17952 3508 1 8 . 1 1 5 5 ALA N N 5 126.419 126.419 119.096 7.323 17952 3509 1 8 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.306 0.065 17952 3510 1 8 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.528 -0.191 17952 3511 1 8 . 1 1 5 5 ALA H H 5 8.435 8.435 7.408 1.027 17952 3512 1 8 . 1 1 6 6 PHE N N 6 124.718 124.718 123.128 1.590 17952 3513 1 8 . 1 1 6 6 PHE H H 6 8.714 8.714 8.776 -0.062 17952 3514 1 8 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.613 -0.377 17952 3515 1 8 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.667 1.069 17952 3516 1 8 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.676 -0.274 17952 3517 1 8 . 1 1 8 8 ARG N N 8 124.351 124.351 120.830 3.521 17952 3518 1 8 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.039 -0.255 17952 3519 1 8 . 1 1 8 8 ARG CA C 8 59.972 59.972 59.133 0.839 17952 3520 1 8 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.538 0.718 17952 3521 1 8 . 1 1 8 8 ARG H H 8 8.650 8.650 8.874 -0.224 17952 3522 1 8 . 1 1 9 9 GLU N N 9 117.015 117.015 119.719 -2.704 17952 3523 1 8 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.221 0.020 17952 3524 1 8 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.270 0.266 17952 3525 1 8 . 1 1 9 9 GLU CB C 9 28.286 28.286 28.468 -0.182 17952 3526 1 8 . 1 1 9 9 GLU H H 9 9.522 9.522 8.647 0.875 17952 3527 1 8 . 1 1 10 10 LEU N N 10 116.269 116.269 119.292 -3.023 17952 3528 1 8 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.133 0.549 17952 3529 1 8 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.438 -1.114 17952 3530 1 8 . 1 1 10 10 LEU CB C 10 42.305 42.305 41.919 0.386 17952 3531 1 8 . 1 1 10 10 LEU H H 10 7.285 7.285 7.593 -0.308 17952 3532 1 8 . 1 1 11 11 ARG N N 11 116.982 116.982 118.002 -1.020 17952 3533 1 8 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.038 1.007 17952 3534 1 8 . 1 1 11 11 ARG CA C 11 55.671 55.671 56.205 -0.534 17952 3535 1 8 . 1 1 11 11 ARG CB C 11 32.827 32.827 28.117 4.710 17952 3536 1 8 . 1 1 11 11 ARG H H 11 7.618 7.618 7.768 -0.149 17952 3537 1 8 . 1 1 12 12 LEU N N 12 119.127 119.127 124.139 -5.012 17952 3538 1 8 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.696 -0.367 17952 3539 1 8 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.461 -0.346 17952 3540 1 8 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.606 -0.923 17952 3541 1 8 . 1 1 12 12 LEU H H 12 7.289 7.289 8.599 -1.310 17952 3542 1 8 . 1 1 13 13 LEU N N 13 123.181 123.181 127.610 -4.429 17952 3543 1 8 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.711 0.036 17952 3544 1 8 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.213 1.977 17952 3545 1 8 . 1 1 13 13 LEU CB C 13 46.234 46.234 43.042 3.192 17952 3546 1 8 . 1 1 13 13 LEU H H 13 8.816 8.816 8.454 0.362 17952 3547 1 8 . 1 1 14 14 THR N N 14 111.810 111.810 112.130 -0.320 17952 3548 1 8 . 1 1 14 14 THR HA H 14 5.104 5.104 4.153 0.951 17952 3549 1 8 . 1 1 14 14 THR H H 14 8.321 8.321 8.475 -0.154 17952 3550 1 8 . 1 1 16 16 SER HA H 16 4.282 4.282 4.625 -0.343 17952 3551 1 8 . 1 1 16 16 SER CB C 16 62.228 62.228 64.861 -2.632 17952 3552 1 8 . 1 1 17 17 GLN N N 17 122.336 122.336 126.082 -3.746 17952 3553 1 8 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.160 -0.082 17952 3554 1 8 . 1 1 17 17 GLN CA C 17 58.122 58.122 59.093 -0.971 17952 3555 1 8 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.751 0.352 17952 3556 1 8 . 1 1 17 17 GLN H H 17 7.967 7.967 8.949 -0.982 17952 3557 1 8 . 1 1 18 18 PHE N N 18 119.658 119.658 121.486 -1.828 17952 3558 1 8 . 1 1 18 18 PHE CA C 18 61.640 61.640 62.411 -0.771 17952 3559 1 8 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.963 -0.473 17952 3560 1 8 . 1 1 18 18 PHE H H 18 7.733 7.733 7.742 -0.009 17952 3561 1 8 . 1 1 19 19 THR N N 19 116.141 116.141 115.049 1.092 17952 3562 1 8 . 1 1 19 19 THR HA H 19 3.911 3.911 3.909 0.002 17952 3563 1 8 . 1 1 19 19 THR CA C 19 67.058 67.058 66.025 1.033 17952 3564 1 8 . 1 1 19 19 THR CB C 19 68.790 68.790 68.708 0.082 17952 3565 1 8 . 1 1 19 19 THR H H 19 8.622 8.622 8.092 0.530 17952 3566 1 8 . 1 1 20 20 PHE N N 20 119.904 119.904 122.621 -2.717 17952 3567 1 8 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.234 -0.085 17952 3568 1 8 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.355 -0.095 17952 3569 1 8 . 1 1 20 20 PHE H H 20 7.728 7.728 7.737 -0.009 17952 3570 1 8 . 1 1 21 21 VAL N N 21 117.896 117.896 116.582 1.314 17952 3571 1 8 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.718 -0.636 17952 3572 1 8 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.492 1.844 17952 3573 1 8 . 1 1 21 21 VAL CB C 21 31.589 31.589 30.719 0.870 17952 3574 1 8 . 1 1 21 21 VAL H H 21 6.861 6.861 8.730 -1.869 17952 3575 1 8 . 1 1 22 22 PHE N N 22 114.352 114.352 119.716 -5.364 17952 3576 1 8 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.106 -0.095 17952 3577 1 8 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.960 -0.375 17952 3578 1 8 . 1 1 22 22 PHE H H 22 7.653 7.653 7.675 -0.022 17952 3579 1 8 . 1 1 23 23 GLN N N 23 116.245 116.245 118.254 -2.009 17952 3580 1 8 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.946 0.087 17952 3581 1 8 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.837 0.578 17952 3582 1 8 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.829 0.121 17952 3583 1 8 . 1 1 23 23 GLN H H 23 7.928 7.928 7.460 0.468 17952 3584 1 8 . 1 1 24 24 GLN N N 24 114.087 114.087 116.974 -2.887 17952 3585 1 8 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.676 -0.251 17952 3586 1 8 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.648 1.043 17952 3587 1 8 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.158 -0.701 17952 3588 1 8 . 1 1 24 24 GLN H H 24 6.731 6.731 7.640 -0.909 17952 3589 1 8 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.842 0.186 17952 3590 1 8 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.278 0.901 17952 3591 1 8 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.332 0.245 17952 3592 1 8 . 1 1 26 26 GLN N N 26 120.107 120.107 125.276 -5.169 17952 3593 1 8 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.011 0.268 17952 3594 1 8 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.426 1.130 17952 3595 1 8 . 1 1 26 26 GLN H H 26 9.622 9.622 8.492 1.130 17952 3596 1 8 . 1 1 27 27 ARG N N 27 125.712 125.712 126.989 -1.277 17952 3597 1 8 . 1 1 27 27 ARG HA H 27 5.220 5.220 5.002 0.218 17952 3598 1 8 . 1 1 27 27 ARG CA C 27 56.125 56.125 54.976 1.149 17952 3599 1 8 . 1 1 27 27 ARG CB C 27 34.641 34.641 31.590 3.051 17952 3600 1 8 . 1 1 27 27 ARG H H 27 9.068 9.068 8.736 0.332 17952 3601 1 8 . 1 1 28 28 ALA N N 28 123.402 123.402 128.636 -5.234 17952 3602 1 8 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.790 -0.276 17952 3603 1 8 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.478 -0.559 17952 3604 1 8 . 1 1 28 28 ALA H H 28 8.102 8.102 8.916 -0.814 17952 3605 1 8 . 1 1 29 29 GLY N N 29 109.532 109.532 107.025 2.507 17952 3606 1 8 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.260 2.624 17952 3607 1 8 . 1 1 29 29 GLY H H 29 8.572 8.572 8.333 0.239 17952 3608 1 8 . 1 1 30 30 THR N N 30 113.168 113.168 115.397 -2.229 17952 3609 1 8 . 1 1 30 30 THR HA H 30 4.953 4.953 4.325 0.628 17952 3610 1 8 . 1 1 30 30 THR H H 30 9.199 9.199 8.539 0.660 17952 3611 1 8 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.267 0.030 17952 3612 1 8 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.074 0.437 17952 3613 1 8 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.990 -1.007 17952 3614 1 8 . 1 1 32 32 GLN N N 32 110.281 110.281 113.616 -3.335 17952 3615 1 8 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.338 -0.143 17952 3616 1 8 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.050 2.429 17952 3617 1 8 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.075 -0.079 17952 3618 1 8 . 1 1 32 32 GLN H H 32 7.403 7.403 8.177 -0.774 17952 3619 1 8 . 1 1 33 33 ILE N N 33 118.254 118.254 120.463 -2.209 17952 3620 1 8 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.598 -0.358 17952 3621 1 8 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.678 3.113 17952 3622 1 8 . 1 1 33 33 ILE H H 33 7.353 7.353 8.165 -0.812 17952 3623 1 8 . 1 1 34 34 THR N N 34 122.650 122.650 125.907 -3.257 17952 3624 1 8 . 1 1 34 34 THR HA H 34 4.946 4.946 4.848 0.098 17952 3625 1 8 . 1 1 34 34 THR CA C 34 61.792 61.792 61.863 -0.071 17952 3626 1 8 . 1 1 34 34 THR CB C 34 71.752 71.752 69.437 2.315 17952 3627 1 8 . 1 1 34 34 THR H H 34 8.787 8.787 8.937 -0.150 17952 3628 1 8 . 1 1 35 35 ILE N N 35 123.778 123.778 129.365 -5.587 17952 3629 1 8 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.355 0.806 17952 3630 1 8 . 1 1 35 35 ILE CA C 35 61.713 61.713 61.632 0.081 17952 3631 1 8 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.603 2.439 17952 3632 1 8 . 1 1 35 35 ILE H H 35 9.109 9.109 9.189 -0.080 17952 3633 1 8 . 1 1 36 36 LEU N N 36 132.558 132.558 128.181 4.377 17952 3634 1 8 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.722 -0.088 17952 3635 1 8 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.012 0.232 17952 3636 1 8 . 1 1 36 36 LEU CB C 36 44.498 44.498 45.319 -0.821 17952 3637 1 8 . 1 1 36 36 LEU H H 36 9.500 9.500 9.101 0.399 17952 3638 1 8 . 1 1 37 37 GLY N N 37 106.940 106.940 108.070 -1.130 17952 3639 1 8 . 1 1 37 37 GLY CA C 37 45.258 45.258 45.801 -0.543 17952 3640 1 8 . 1 1 37 37 GLY H H 37 9.058 9.058 8.019 1.039 17952 3641 1 8 . 1 1 38 38 ARG N N 38 121.378 121.378 119.651 1.727 17952 3642 1 8 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.908 -0.256 17952 3643 1 8 . 1 1 38 38 ARG CA C 38 56.285 56.285 54.809 1.476 17952 3644 1 8 . 1 1 38 38 ARG CB C 38 35.176 35.176 34.014 1.162 17952 3645 1 8 . 1 1 38 38 ARG H H 38 8.384 8.384 8.524 -0.140 17952 3646 1 8 . 1 1 39 39 LEU N N 39 129.596 129.596 121.811 7.785 17952 3647 1 8 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.730 0.742 17952 3648 1 8 . 1 1 39 39 LEU H H 39 9.030 9.030 8.529 0.501 17952 3649 1 8 . 1 1 40 40 ASN N N 40 119.921 119.921 121.363 -1.442 17952 3650 1 8 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.364 -0.818 17952 3651 1 8 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.771 -0.683 17952 3652 1 8 . 1 1 40 40 ASN H H 40 8.186 8.186 7.846 0.340 17952 3653 1 8 . 1 1 41 41 SER N N 41 112.600 112.600 120.292 -7.692 17952 3654 1 8 . 1 1 41 41 SER HA H 41 4.484 4.484 4.662 -0.178 17952 3655 1 8 . 1 1 41 41 SER CB C 41 62.949 62.949 62.444 0.505 17952 3656 1 8 . 1 1 41 41 SER H H 41 8.646 8.646 8.523 0.123 17952 3657 1 8 . 1 1 42 42 LEU N N 42 120.612 120.612 125.466 -4.854 17952 3658 1 8 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.681 -0.347 17952 3659 1 8 . 1 1 42 42 LEU CA C 42 54.828 54.828 55.392 -0.564 17952 3660 1 8 . 1 1 42 42 LEU CB C 42 43.713 43.713 43.292 0.421 17952 3661 1 8 . 1 1 42 42 LEU H H 42 8.538 8.538 8.372 0.166 17952 3662 1 8 . 1 1 43 43 GLY N N 43 105.922 105.922 109.121 -3.199 17952 3663 1 8 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.215 0.056 17952 3664 1 8 . 1 1 43 43 GLY H H 43 8.317 8.317 7.910 0.407 17952 3665 1 8 . 1 1 44 44 HIS N N 44 114.144 114.144 119.640 -5.496 17952 3666 1 8 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.838 0.227 17952 3667 1 8 . 1 1 44 44 HIS H H 44 7.145 7.145 7.838 -0.693 17952 3668 1 8 . 1 1 45 45 PRO HA H 45 5.403 5.403 5.148 0.255 17952 3669 1 8 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.231 0.330 17952 3670 1 8 . 1 1 45 45 PRO CB C 45 33.097 33.097 32.219 0.878 17952 3671 1 8 . 1 1 46 46 ARG N N 46 116.294 116.294 124.178 -7.884 17952 3672 1 8 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.716 0.440 17952 3673 1 8 . 1 1 46 46 ARG CA C 46 56.154 56.154 53.628 2.526 17952 3674 1 8 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.081 4.889 17952 3675 1 8 . 1 1 46 46 ARG H H 46 8.919 8.919 8.862 0.057 17952 3676 1 8 . 1 1 47 47 ILE N N 47 117.069 117.069 121.234 -4.165 17952 3677 1 8 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.202 1.482 17952 3678 1 8 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.097 -1.277 17952 3679 1 8 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.541 3.171 17952 3680 1 8 . 1 1 47 47 ILE H H 47 9.106 9.106 8.398 0.708 17952 3681 1 8 . 1 1 48 48 GLY N N 48 116.903 116.903 117.786 -0.883 17952 3682 1 8 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.543 -0.014 17952 3683 1 8 . 1 1 48 48 GLY H H 48 9.276 9.276 8.572 0.704 17952 3684 1 8 . 1 1 49 49 LEU N N 49 123.729 123.729 125.960 -2.231 17952 3685 1 8 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.607 0.834 17952 3686 1 8 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.821 -0.459 17952 3687 1 8 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.128 3.417 17952 3688 1 8 . 1 1 49 49 LEU H H 49 8.957 8.957 7.935 1.022 17952 3689 1 8 . 1 1 50 50 THR N N 50 120.870 120.870 125.245 -4.375 17952 3690 1 8 . 1 1 50 50 THR HA H 50 4.616 4.616 4.552 0.064 17952 3691 1 8 . 1 1 50 50 THR H H 50 9.419 9.419 9.139 0.280 17952 3692 1 8 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.466 -0.110 17952 3693 1 8 . 1 1 51 51 VAL CA C 51 60.110 60.110 59.070 1.040 17952 3694 1 8 . 1 1 51 51 VAL CB C 51 32.291 32.291 30.721 1.570 17952 3695 1 8 . 1 1 52 52 ALA N N 52 129.415 129.415 129.067 0.348 17952 3696 1 8 . 1 1 52 52 ALA CB C 52 19.312 19.312 19.769 -0.457 17952 3697 1 8 . 1 1 52 52 ALA H H 52 9.046 9.046 8.176 0.870 17952 3698 1 8 . 1 1 53 53 LYS N N 53 125.023 125.023 123.479 1.544 17952 3699 1 8 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.374 -0.285 17952 3700 1 8 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.281 1.454 17952 3701 1 8 . 1 1 53 53 LYS CB C 53 32.096 32.096 31.995 0.101 17952 3702 1 8 . 1 1 53 53 LYS H H 53 8.811 8.811 8.681 0.130 17952 3703 1 8 . 1 1 54 54 LYS N N 54 114.126 114.126 116.125 -1.999 17952 3704 1 8 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.261 -0.220 17952 3705 1 8 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.781 0.173 17952 3706 1 8 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.439 -0.509 17952 3707 1 8 . 1 1 54 54 LYS H H 54 8.073 8.073 7.890 0.183 17952 3708 1 8 . 1 1 55 55 ASN N N 55 115.234 115.234 116.130 -0.896 17952 3709 1 8 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.872 -0.014 17952 3710 1 8 . 1 1 55 55 ASN CA C 55 53.777 53.777 53.368 0.409 17952 3711 1 8 . 1 1 55 55 ASN CB C 55 39.529 39.529 41.287 -1.758 17952 3712 1 8 . 1 1 55 55 ASN H H 55 7.434 7.434 7.809 -0.375 17952 3713 1 8 . 1 1 56 56 VAL N N 56 121.000 121.000 122.145 -1.145 17952 3714 1 8 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.259 -0.086 17952 3715 1 8 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.494 0.267 17952 3716 1 8 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.992 0.041 17952 3717 1 8 . 1 1 56 56 VAL H H 56 7.764 7.764 8.321 -0.557 17952 3718 1 8 . 1 1 57 57 ARG N N 57 125.781 125.781 128.676 -2.895 17952 3719 1 8 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.106 0.094 17952 3720 1 8 . 1 1 57 57 ARG CA C 57 58.646 58.646 57.794 0.852 17952 3721 1 8 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.331 0.673 17952 3722 1 8 . 1 1 57 57 ARG H H 57 8.441 8.441 8.735 -0.294 17952 3723 1 8 . 1 1 58 58 ARG N N 58 118.159 118.159 114.468 3.691 17952 3724 1 8 . 1 1 58 58 ARG HA H 58 4.594 4.594 3.969 0.625 17952 3725 1 8 . 1 1 58 58 ARG H H 58 8.250 8.250 8.200 0.050 17952 3726 1 8 . 1 1 60 60 HIS N N 60 116.957 116.957 116.784 0.173 17952 3727 1 8 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.688 -0.253 17952 3728 1 8 . 1 1 60 60 HIS CA C 60 59.605 59.605 57.979 1.626 17952 3729 1 8 . 1 1 60 60 HIS CB C 60 29.947 29.947 30.162 -0.215 17952 3730 1 8 . 1 1 60 60 HIS H H 60 7.600 7.600 8.635 -1.035 17952 3731 1 8 . 1 1 61 61 GLU N N 61 119.542 119.542 121.368 -1.826 17952 3732 1 8 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.002 0.427 17952 3733 1 8 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.760 -2.132 17952 3734 1 8 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.743 1.062 17952 3735 1 8 . 1 1 61 61 GLU H H 61 6.702 6.702 8.951 -2.249 17952 3736 1 8 . 1 1 62 62 ARG N N 62 120.227 120.227 118.117 2.110 17952 3737 1 8 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.126 -0.393 17952 3738 1 8 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.558 2.973 17952 3739 1 8 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.375 0.236 17952 3740 1 8 . 1 1 62 62 ARG H H 62 7.951 7.951 8.562 -0.611 17952 3741 1 8 . 1 1 63 63 ASN N N 63 116.757 116.757 118.469 -1.712 17952 3742 1 8 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.536 -0.102 17952 3743 1 8 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.841 0.367 17952 3744 1 8 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.529 -0.703 17952 3745 1 8 . 1 1 63 63 ASN H H 63 8.365 8.365 7.938 0.427 17952 3746 1 8 . 1 1 64 64 ARG N N 64 123.093 123.093 120.325 2.768 17952 3747 1 8 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.159 -0.103 17952 3748 1 8 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.039 1.099 17952 3749 1 8 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.221 0.611 17952 3750 1 8 . 1 1 64 64 ARG H H 64 7.770 7.770 7.623 0.147 17952 3751 1 8 . 1 1 65 65 ILE N N 65 117.911 117.911 118.892 -0.981 17952 3752 1 8 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.829 -0.304 17952 3753 1 8 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.886 0.829 17952 3754 1 8 . 1 1 65 65 ILE CB C 65 37.645 37.645 37.109 0.536 17952 3755 1 8 . 1 1 65 65 ILE H H 65 8.121 8.121 8.041 0.080 17952 3756 1 8 . 1 1 66 66 LYS N N 66 122.635 122.635 115.394 7.241 17952 3757 1 8 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.434 -0.663 17952 3758 1 8 . 1 1 66 66 LYS CA C 66 60.935 60.935 57.646 3.289 17952 3759 1 8 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.029 0.395 17952 3760 1 8 . 1 1 66 66 LYS H H 66 8.337 8.337 8.072 0.265 17952 3761 1 8 . 1 1 67 67 ARG N N 67 119.137 119.137 118.765 0.372 17952 3762 1 8 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.440 -0.432 17952 3763 1 8 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.024 1.965 17952 3764 1 8 . 1 1 67 67 ARG CB C 67 30.035 30.035 31.416 -1.381 17952 3765 1 8 . 1 1 67 67 ARG H H 67 8.257 8.257 7.545 0.712 17952 3766 1 8 . 1 1 68 68 LEU N N 68 119.084 119.084 121.787 -2.703 17952 3767 1 8 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.181 -0.073 17952 3768 1 8 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.456 -0.434 17952 3769 1 8 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.507 0.095 17952 3770 1 8 . 1 1 68 68 LEU H H 68 8.427 8.427 8.276 0.151 17952 3771 1 8 . 1 1 69 69 THR N N 69 118.019 118.019 112.232 5.787 17952 3772 1 8 . 1 1 69 69 THR CA C 69 67.701 67.701 65.551 2.150 17952 3773 1 8 . 1 1 69 69 THR H H 69 8.433 8.433 8.035 0.398 17952 3774 1 8 . 1 1 70 70 ARG N N 70 122.713 122.713 122.299 0.414 17952 3775 1 8 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.691 1.719 17952 3776 1 8 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.001 0.049 17952 3777 1 8 . 1 1 70 70 ARG H H 70 8.346 8.346 8.303 0.043 17952 3778 1 8 . 1 1 71 71 GLU N N 71 118.890 118.890 118.385 0.505 17952 3779 1 8 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.073 0.193 17952 3780 1 8 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.539 -0.058 17952 3781 1 8 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.595 -0.279 17952 3782 1 8 . 1 1 71 71 GLU H H 71 8.334 8.334 7.922 0.412 17952 3783 1 8 . 1 1 72 72 SER N N 72 114.922 114.922 115.284 -0.362 17952 3784 1 8 . 1 1 72 72 SER HA H 72 4.243 4.243 4.182 0.061 17952 3785 1 8 . 1 1 72 72 SER CA C 72 61.292 61.292 61.611 -0.319 17952 3786 1 8 . 1 1 72 72 SER CB C 72 63.065 63.065 62.926 0.139 17952 3787 1 8 . 1 1 72 72 SER H H 72 8.205 8.205 7.900 0.305 17952 3788 1 8 . 1 1 73 73 PHE N N 73 122.665 122.665 120.656 2.009 17952 3789 1 8 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.683 -1.574 17952 3790 1 8 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.154 0.381 17952 3791 1 8 . 1 1 73 73 PHE H H 73 7.788 7.788 8.338 -0.550 17952 3792 1 8 . 1 1 74 74 ARG N N 74 119.417 119.417 117.615 1.802 17952 3793 1 8 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.464 -0.567 17952 3794 1 8 . 1 1 74 74 ARG CA C 74 59.201 59.201 56.291 2.910 17952 3795 1 8 . 1 1 74 74 ARG CB C 74 29.981 29.981 31.086 -1.105 17952 3796 1 8 . 1 1 74 74 ARG H H 74 8.580 8.580 7.714 0.866 17952 3797 1 8 . 1 1 75 75 LEU N N 75 117.144 117.144 118.324 -1.180 17952 3798 1 8 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.280 -0.184 17952 3799 1 8 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.257 1.960 17952 3800 1 8 . 1 1 75 75 LEU CB C 75 42.788 42.788 41.833 0.955 17952 3801 1 8 . 1 1 75 75 LEU H H 75 7.903 7.903 8.083 -0.180 17952 3802 1 8 . 1 1 76 76 ARG N N 76 113.888 113.888 119.227 -5.339 17952 3803 1 8 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.490 -0.067 17952 3804 1 8 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.560 -1.073 17952 3805 1 8 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.234 2.633 17952 3806 1 8 . 1 1 76 76 ARG H H 76 6.736 6.736 7.956 -1.220 17952 3807 1 8 . 1 1 77 77 GLN N N 77 120.009 120.009 121.848 -1.839 17952 3808 1 8 . 1 1 77 77 GLN CA C 77 60.256 60.256 56.815 3.441 17952 3809 1 8 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.622 -0.034 17952 3810 1 8 . 1 1 77 77 GLN H H 77 7.273 7.273 8.916 -1.643 17952 3811 1 8 . 1 1 78 78 HIS N N 78 114.954 114.954 117.749 -2.795 17952 3812 1 8 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.814 -0.369 17952 3813 1 8 . 1 1 78 78 HIS CA C 78 57.800 57.800 55.657 2.143 17952 3814 1 8 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.382 -0.980 17952 3815 1 8 . 1 1 78 78 HIS H H 78 8.389 8.389 7.933 0.456 17952 3816 1 8 . 1 1 79 79 GLU N N 79 118.231 118.231 120.237 -2.006 17952 3817 1 8 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.253 0.154 17952 3818 1 8 . 1 1 79 79 GLU CA C 79 55.392 55.392 57.395 -2.003 17952 3819 1 8 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.711 0.585 17952 3820 1 8 . 1 1 79 79 GLU H H 79 7.717 7.717 7.906 -0.189 17952 3821 1 8 . 1 1 80 80 LEU N N 80 119.751 119.751 112.583 7.168 17952 3822 1 8 . 1 1 80 80 LEU HA H 80 4.554 4.554 5.070 -0.516 17952 3823 1 8 . 1 1 80 80 LEU H H 80 6.859 6.859 7.572 -0.713 17952 3824 1 8 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.551 0.020 17952 3825 1 8 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.469 -0.744 17952 3826 1 8 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.220 0.112 17952 3827 1 8 . 1 1 82 82 ALA N N 82 122.525 122.525 121.813 0.712 17952 3828 1 8 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.351 -0.593 17952 3829 1 8 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.217 -1.309 17952 3830 1 8 . 1 1 82 82 ALA H H 82 8.425 8.425 8.521 -0.096 17952 3831 1 8 . 1 1 83 83 MET N N 83 122.963 122.963 117.137 5.826 17952 3832 1 8 . 1 1 83 83 MET HA H 83 4.387 4.387 4.543 -0.156 17952 3833 1 8 . 1 1 83 83 MET CA C 83 54.002 54.002 54.770 -0.768 17952 3834 1 8 . 1 1 83 83 MET CB C 83 35.655 35.655 35.529 0.126 17952 3835 1 8 . 1 1 83 83 MET H H 83 7.851 7.851 7.812 0.039 17952 3836 1 8 . 1 1 84 84 ASP N N 84 121.733 121.733 120.470 1.263 17952 3837 1 8 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.831 -0.079 17952 3838 1 8 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.221 0.417 17952 3839 1 8 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.890 -0.900 17952 3840 1 8 . 1 1 84 84 ASP H H 84 8.393 8.393 8.457 -0.064 17952 3841 1 8 . 1 1 85 85 PHE N N 85 121.368 121.368 122.747 -1.379 17952 3842 1 8 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.961 0.995 17952 3843 1 8 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.594 -0.514 17952 3844 1 8 . 1 1 85 85 PHE H H 85 8.849 8.849 8.282 0.567 17952 3845 1 8 . 1 1 86 86 VAL N N 86 120.431 120.431 118.236 2.195 17952 3846 1 8 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.679 -0.063 17952 3847 1 8 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.932 -0.058 17952 3848 1 8 . 1 1 86 86 VAL CB C 86 34.882 34.882 32.475 2.407 17952 3849 1 8 . 1 1 86 86 VAL H H 86 9.407 9.407 9.224 0.183 17952 3850 1 8 . 1 1 87 87 VAL N N 87 127.860 127.860 128.129 -0.269 17952 3851 1 8 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.485 0.132 17952 3852 1 8 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.560 -0.140 17952 3853 1 8 . 1 1 87 87 VAL CB C 87 32.122 32.122 31.772 0.350 17952 3854 1 8 . 1 1 87 87 VAL H H 87 8.843 8.843 8.708 0.135 17952 3855 1 8 . 1 1 88 88 VAL N N 88 128.150 128.150 129.167 -1.017 17952 3856 1 8 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.463 0.192 17952 3857 1 8 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.425 -0.160 17952 3858 1 8 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.307 1.132 17952 3859 1 8 . 1 1 88 88 VAL H H 88 9.538 9.538 9.187 0.351 17952 3860 1 8 . 1 1 89 89 ALA N N 89 128.337 128.337 132.279 -3.942 17952 3861 1 8 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.463 0.141 17952 3862 1 8 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.985 0.886 17952 3863 1 8 . 1 1 89 89 ALA H H 89 8.170 8.170 8.856 -0.686 17952 3864 1 8 . 1 1 90 90 LYS N N 90 123.110 123.110 123.719 -0.609 17952 3865 1 8 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.695 -0.218 17952 3866 1 8 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.646 1.464 17952 3867 1 8 . 1 1 90 90 LYS CB C 90 33.455 33.455 35.169 -1.714 17952 3868 1 8 . 1 1 90 90 LYS H H 90 8.231 8.231 8.519 -0.288 17952 3869 1 8 . 1 1 91 91 LYS N N 91 119.291 119.291 120.397 -1.106 17952 3870 1 8 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.093 -0.045 17952 3871 1 8 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.524 1.647 17952 3872 1 8 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.575 0.644 17952 3873 1 8 . 1 1 91 91 LYS H H 91 8.162 8.162 8.714 -0.552 17952 3874 1 8 . 1 1 92 92 GLY N N 92 112.991 112.991 113.742 -0.751 17952 3875 1 8 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.269 -0.133 17952 3876 1 8 . 1 1 92 92 GLY H H 92 8.783 8.783 8.463 0.320 17952 3877 1 8 . 1 1 93 93 VAL N N 93 122.937 122.937 122.780 0.157 17952 3878 1 8 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.963 -0.233 17952 3879 1 8 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.646 0.265 17952 3880 1 8 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.266 -1.268 17952 3881 1 8 . 1 1 93 93 VAL H H 93 8.363 8.363 7.698 0.665 17952 3882 1 8 . 1 1 94 94 ALA N N 94 119.882 119.882 119.636 0.246 17952 3883 1 8 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.333 -0.237 17952 3884 1 8 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.081 -0.412 17952 3885 1 8 . 1 1 94 94 ALA H H 94 7.960 7.960 8.022 -0.062 17952 3886 1 8 . 1 1 95 95 ASP N N 95 114.705 114.705 119.471 -4.766 17952 3887 1 8 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.772 -0.280 17952 3888 1 8 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.530 0.331 17952 3889 1 8 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.313 -0.430 17952 3890 1 8 . 1 1 95 95 ASP H H 95 7.360 7.360 7.680 -0.320 17952 3891 1 8 . 1 1 96 96 LEU N N 96 120.424 120.424 123.022 -2.598 17952 3892 1 8 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.638 -0.179 17952 3893 1 8 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.426 0.931 17952 3894 1 8 . 1 1 96 96 LEU CB C 96 42.433 42.433 44.892 -2.459 17952 3895 1 8 . 1 1 96 96 LEU H H 96 7.389 7.389 7.757 -0.368 17952 3896 1 8 . 1 1 97 97 ASP N N 97 123.018 123.018 120.578 2.440 17952 3897 1 8 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.588 -0.058 17952 3898 1 8 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.002 -1.167 17952 3899 1 8 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.327 -1.825 17952 3900 1 8 . 1 1 97 97 ASP H H 97 8.473 8.473 8.407 0.066 17952 3901 1 8 . 1 1 98 98 ASN N N 98 117.692 117.692 124.040 -6.348 17952 3902 1 8 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.480 -0.344 17952 3903 1 8 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.264 1.601 17952 3904 1 8 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.828 -1.889 17952 3905 1 8 . 1 1 98 98 ASN H H 98 8.651 8.651 8.854 -0.203 17952 3906 1 8 . 1 1 99 99 ARG N N 99 120.819 120.819 119.276 1.543 17952 3907 1 8 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.276 -0.223 17952 3908 1 8 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.036 1.462 17952 3909 1 8 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.413 -1.096 17952 3910 1 8 . 1 1 99 99 ARG H H 99 8.191 8.191 8.101 0.090 17952 3911 1 8 . 1 1 100 100 ALA N N 100 122.928 122.928 122.416 0.512 17952 3912 1 8 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.233 -0.082 17952 3913 1 8 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.179 0.870 17952 3914 1 8 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.033 0.964 17952 3915 1 8 . 1 1 100 100 ALA H H 100 8.524 8.524 7.742 0.782 17952 3916 1 8 . 1 1 101 101 LEU N N 101 120.795 120.795 115.925 4.870 17952 3917 1 8 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.154 -0.056 17952 3918 1 8 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.367 0.869 17952 3919 1 8 . 1 1 101 101 LEU CB C 101 41.509 41.509 40.976 0.533 17952 3920 1 8 . 1 1 101 101 LEU H H 101 8.961 8.961 7.459 1.502 17952 3921 1 8 . 1 1 102 102 SER N N 102 115.314 115.314 114.887 0.427 17952 3922 1 8 . 1 1 102 102 SER HA H 102 4.123 4.123 4.242 -0.119 17952 3923 1 8 . 1 1 102 102 SER CB C 102 62.761 62.761 62.811 -0.050 17952 3924 1 8 . 1 1 102 102 SER H H 102 8.459 8.459 8.060 0.399 17952 3925 1 8 . 1 1 103 103 GLU N N 103 122.468 122.468 121.786 0.682 17952 3926 1 8 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.249 -0.119 17952 3927 1 8 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.332 1.136 17952 3928 1 8 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.360 0.168 17952 3929 1 8 . 1 1 103 103 GLU H H 103 8.492 8.492 7.581 0.911 17952 3930 1 8 . 1 1 104 104 ALA N N 104 123.159 123.159 122.871 0.288 17952 3931 1 8 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.145 -0.055 17952 3932 1 8 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.724 0.518 17952 3933 1 8 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.586 -0.759 17952 3934 1 8 . 1 1 104 104 ALA H H 104 8.074 8.074 7.811 0.263 17952 3935 1 8 . 1 1 105 105 LEU N N 105 116.602 116.602 118.391 -1.789 17952 3936 1 8 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.006 -0.454 17952 3937 1 8 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.797 0.607 17952 3938 1 8 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.826 -0.207 17952 3939 1 8 . 1 1 105 105 LEU H H 105 8.318 8.318 7.853 0.465 17952 3940 1 8 . 1 1 106 106 GLU N N 106 117.564 117.564 117.034 0.530 17952 3941 1 8 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.148 0.084 17952 3942 1 8 . 1 1 106 106 GLU CA C 106 60.416 60.416 58.997 1.419 17952 3943 1 8 . 1 1 106 106 GLU CB C 106 28.925 28.925 29.193 -0.268 17952 3944 1 8 . 1 1 106 106 GLU H H 106 8.009 8.009 7.564 0.445 17952 3945 1 8 . 1 1 107 107 LYS N N 107 117.286 117.286 119.783 -2.497 17952 3946 1 8 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.206 -0.232 17952 3947 1 8 . 1 1 107 107 LYS CA C 107 59.907 59.907 57.917 1.990 17952 3948 1 8 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.949 0.432 17952 3949 1 8 . 1 1 107 107 LYS H H 107 7.787 7.787 7.653 0.134 17952 3950 1 8 . 1 1 108 108 LEU N N 108 120.504 120.504 118.690 1.814 17952 3951 1 8 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.241 -0.262 17952 3952 1 8 . 1 1 108 108 LEU CA C 108 57.817 57.817 54.996 2.821 17952 3953 1 8 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.002 1.298 17952 3954 1 8 . 1 1 108 108 LEU H H 108 7.875 7.875 7.798 0.077 17952 3955 1 8 . 1 1 109 109 TRP N N 109 120.547 120.547 121.137 -0.590 17952 3956 1 8 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.540 -0.653 17952 3957 1 8 . 1 1 109 109 TRP CB C 109 30.763 30.763 31.287 -0.524 17952 3958 1 8 . 1 1 109 109 TRP H H 109 9.048 9.048 7.718 1.330 17952 3959 1 8 . 1 1 110 110 ARG N N 110 117.678 117.678 120.864 -3.186 17952 3960 1 8 . 1 1 110 110 ARG HA H 110 4.074 4.074 4.182 -0.108 17952 3961 1 8 . 1 1 110 110 ARG CA C 110 60.243 60.243 60.484 -0.241 17952 3962 1 8 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.484 -0.843 17952 3963 1 8 . 1 1 110 110 ARG H H 110 8.425 8.425 8.985 -0.560 17952 3964 1 8 . 1 1 111 111 ARG N N 111 121.156 121.156 117.982 3.174 17952 3965 1 8 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.172 0.003 17952 3966 1 8 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.109 0.959 17952 3967 1 8 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.718 -0.648 17952 3968 1 8 . 1 1 111 111 ARG H H 111 8.100 8.100 7.845 0.255 17952 3969 1 8 . 1 1 112 112 HIS N N 112 118.118 118.118 118.316 -0.198 17952 3970 1 8 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.369 -0.066 17952 3971 1 8 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.744 2.791 17952 3972 1 8 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.533 1.384 17952 3973 1 8 . 1 1 112 112 HIS H H 112 8.250 8.250 7.902 0.348 17952 3974 1 8 . 1 1 113 113 CYS N N 113 117.579 117.579 119.520 -1.941 17952 3975 1 8 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.970 0.294 17952 3976 1 8 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.592 2.544 17952 3977 1 8 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.509 -0.724 17952 3978 1 8 . 1 1 113 113 CYS H H 113 8.181 8.181 8.522 -0.341 17952 3979 1 8 . 1 1 114 114 ARG N N 114 120.172 120.172 117.679 2.493 17952 3980 1 8 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.294 -0.147 17952 3981 1 8 . 1 1 114 114 ARG CA C 114 59.050 59.050 56.064 2.986 17952 3982 1 8 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.270 0.548 17952 3983 1 8 . 1 1 114 114 ARG H H 114 7.870 7.870 7.654 0.216 17952 3984 1 8 . 1 1 115 115 LEU N N 115 120.720 120.720 120.447 0.273 17952 3985 1 8 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.235 -0.118 17952 3986 1 8 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.010 1.352 17952 3987 1 8 . 1 1 115 115 LEU CB C 115 41.902 41.902 42.105 -0.203 17952 3988 1 8 . 1 1 115 115 LEU H H 115 8.690 8.690 7.641 1.049 17952 3989 1 8 . 1 1 116 116 ALA N N 116 119.118 119.118 119.721 -0.603 17952 3990 1 8 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.106 0.261 17952 3991 1 8 . 1 1 116 116 ALA CB C 116 19.088 19.088 19.159 -0.071 17952 3992 1 8 . 1 1 116 116 ALA H H 116 7.751 7.751 7.177 0.574 17952 3993 1 8 . 1 1 117 117 ARG N N 117 117.010 117.010 119.949 -2.939 17952 3994 1 8 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.224 0.164 17952 3995 1 8 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.207 1.839 17952 3996 1 8 . 1 1 117 117 ARG CB C 117 30.858 30.858 28.015 2.843 17952 3997 1 8 . 1 1 117 117 ARG H H 117 7.602 7.602 7.524 0.078 17952 3998 1 8 . 1 1 118 118 GLY N N 118 108.836 108.836 112.755 -3.919 17952 3999 1 8 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.902 0.664 17952 4000 1 8 . 1 1 118 118 GLY H H 118 8.087 8.087 8.160 -0.073 17952 4001 1 9 . 1 1 3 3 LYS CA C 3 56.191 56.191 56.494 -0.303 17952 4002 1 9 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.269 -0.303 17952 4003 1 9 . 1 1 4 4 LEU N N 4 125.667 125.667 121.263 4.404 17952 4004 1 9 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.489 -0.102 17952 4005 1 9 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.124 -0.457 17952 4006 1 9 . 1 1 4 4 LEU CB C 4 42.618 42.618 43.499 -0.881 17952 4007 1 9 . 1 1 4 4 LEU H H 4 8.498 8.498 8.385 0.113 17952 4008 1 9 . 1 1 5 5 ALA N N 5 126.419 126.419 120.277 6.142 17952 4009 1 9 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.585 -0.214 17952 4010 1 9 . 1 1 5 5 ALA CB C 5 19.337 19.337 20.529 -1.192 17952 4011 1 9 . 1 1 5 5 ALA H H 5 8.435 8.435 7.929 0.506 17952 4012 1 9 . 1 1 6 6 PHE N N 6 124.718 124.718 119.381 5.337 17952 4013 1 9 . 1 1 6 6 PHE H H 6 8.714 8.714 8.524 0.190 17952 4014 1 9 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.669 -0.433 17952 4015 1 9 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.090 1.646 17952 4016 1 9 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.647 -0.245 17952 4017 1 9 . 1 1 8 8 ARG N N 8 124.351 124.351 118.817 5.534 17952 4018 1 9 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.416 -0.632 17952 4019 1 9 . 1 1 8 8 ARG CA C 8 59.972 59.972 56.634 3.338 17952 4020 1 9 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.384 0.872 17952 4021 1 9 . 1 1 8 8 ARG H H 8 8.650 8.650 8.601 0.049 17952 4022 1 9 . 1 1 9 9 GLU N N 9 117.015 117.015 125.058 -8.043 17952 4023 1 9 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.294 -0.053 17952 4024 1 9 . 1 1 9 9 GLU CA C 9 58.536 58.536 56.739 1.797 17952 4025 1 9 . 1 1 9 9 GLU CB C 9 28.286 28.286 30.297 -2.011 17952 4026 1 9 . 1 1 9 9 GLU H H 9 9.522 9.522 8.450 1.072 17952 4027 1 9 . 1 1 10 10 LEU N N 10 116.269 116.269 122.050 -5.781 17952 4028 1 9 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.194 0.488 17952 4029 1 9 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.797 -2.473 17952 4030 1 9 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.789 -0.485 17952 4031 1 9 . 1 1 10 10 LEU H H 10 7.285 7.285 8.388 -1.103 17952 4032 1 9 . 1 1 11 11 ARG N N 11 116.982 116.982 114.651 2.331 17952 4033 1 9 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.412 0.633 17952 4034 1 9 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.398 0.273 17952 4035 1 9 . 1 1 11 11 ARG CB C 11 32.827 32.827 31.933 0.894 17952 4036 1 9 . 1 1 11 11 ARG H H 11 7.618 7.618 7.958 -0.340 17952 4037 1 9 . 1 1 12 12 LEU N N 12 119.127 119.127 124.354 -5.227 17952 4038 1 9 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.608 -0.279 17952 4039 1 9 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.190 -0.075 17952 4040 1 9 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.059 -0.376 17952 4041 1 9 . 1 1 12 12 LEU H H 12 7.289 7.289 8.506 -1.217 17952 4042 1 9 . 1 1 13 13 LEU N N 13 123.181 123.181 128.352 -5.171 17952 4043 1 9 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.436 0.311 17952 4044 1 9 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.029 1.161 17952 4045 1 9 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.422 3.812 17952 4046 1 9 . 1 1 13 13 LEU H H 13 8.816 8.816 8.187 0.629 17952 4047 1 9 . 1 1 14 14 THR N N 14 111.810 111.810 115.523 -3.713 17952 4048 1 9 . 1 1 14 14 THR HA H 14 5.104 5.104 4.476 0.628 17952 4049 1 9 . 1 1 14 14 THR H H 14 8.321 8.321 8.058 0.263 17952 4050 1 9 . 1 1 16 16 SER HA H 16 4.282 4.282 4.653 -0.371 17952 4051 1 9 . 1 1 16 16 SER CB C 16 62.228 62.228 64.790 -2.562 17952 4052 1 9 . 1 1 17 17 GLN N N 17 122.336 122.336 124.393 -2.057 17952 4053 1 9 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.287 -0.208 17952 4054 1 9 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.506 -0.384 17952 4055 1 9 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.730 0.374 17952 4056 1 9 . 1 1 17 17 GLN H H 17 7.967 7.967 9.044 -1.077 17952 4057 1 9 . 1 1 18 18 PHE N N 18 119.658 119.658 116.781 2.877 17952 4058 1 9 . 1 1 18 18 PHE CA C 18 61.640 61.640 60.776 0.864 17952 4059 1 9 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.593 -0.102 17952 4060 1 9 . 1 1 18 18 PHE H H 18 7.733 7.733 7.812 -0.079 17952 4061 1 9 . 1 1 19 19 THR N N 19 116.141 116.141 114.546 1.595 17952 4062 1 9 . 1 1 19 19 THR HA H 19 3.911 3.911 4.344 -0.433 17952 4063 1 9 . 1 1 19 19 THR CA C 19 67.058 67.058 65.209 1.849 17952 4064 1 9 . 1 1 19 19 THR CB C 19 68.790 68.790 69.231 -0.441 17952 4065 1 9 . 1 1 19 19 THR H H 19 8.622 8.622 7.672 0.950 17952 4066 1 9 . 1 1 20 20 PHE N N 20 119.904 119.904 123.094 -3.190 17952 4067 1 9 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.349 -0.200 17952 4068 1 9 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.582 -0.322 17952 4069 1 9 . 1 1 20 20 PHE H H 20 7.728 7.728 8.606 -0.878 17952 4070 1 9 . 1 1 21 21 VAL N N 21 117.896 117.896 118.725 -0.829 17952 4071 1 9 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.740 -0.658 17952 4072 1 9 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.531 1.805 17952 4073 1 9 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.549 0.040 17952 4074 1 9 . 1 1 21 21 VAL H H 21 6.861 6.861 8.074 -1.213 17952 4075 1 9 . 1 1 22 22 PHE N N 22 114.352 114.352 117.190 -2.838 17952 4076 1 9 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.302 -0.291 17952 4077 1 9 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.403 -0.818 17952 4078 1 9 . 1 1 22 22 PHE H H 22 7.653 7.653 7.780 -0.127 17952 4079 1 9 . 1 1 23 23 GLN N N 23 116.245 116.245 117.473 -1.228 17952 4080 1 9 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.626 0.407 17952 4081 1 9 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.689 0.726 17952 4082 1 9 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.765 0.185 17952 4083 1 9 . 1 1 23 23 GLN H H 23 7.928 7.928 7.317 0.611 17952 4084 1 9 . 1 1 24 24 GLN N N 24 114.087 114.087 116.227 -2.140 17952 4085 1 9 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.717 -0.292 17952 4086 1 9 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.486 1.205 17952 4087 1 9 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.892 -1.435 17952 4088 1 9 . 1 1 24 24 GLN H H 24 6.731 6.731 8.046 -1.315 17952 4089 1 9 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.740 0.288 17952 4090 1 9 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.718 1.461 17952 4091 1 9 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.358 -0.782 17952 4092 1 9 . 1 1 26 26 GLN N N 26 120.107 120.107 121.574 -1.467 17952 4093 1 9 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.192 1.087 17952 4094 1 9 . 1 1 26 26 GLN CB C 26 30.556 30.556 28.077 2.479 17952 4095 1 9 . 1 1 26 26 GLN H H 26 9.622 9.622 8.667 0.955 17952 4096 1 9 . 1 1 27 27 ARG N N 27 125.712 125.712 127.976 -2.264 17952 4097 1 9 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.723 0.497 17952 4098 1 9 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.434 0.691 17952 4099 1 9 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.441 4.200 17952 4100 1 9 . 1 1 27 27 ARG H H 27 9.068 9.068 8.316 0.752 17952 4101 1 9 . 1 1 28 28 ALA N N 28 123.402 123.402 130.311 -6.909 17952 4102 1 9 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.747 -0.233 17952 4103 1 9 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.883 0.036 17952 4104 1 9 . 1 1 28 28 ALA H H 28 8.102 8.102 8.787 -0.685 17952 4105 1 9 . 1 1 29 29 GLY N N 29 109.532 109.532 109.485 0.047 17952 4106 1 9 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.310 1.574 17952 4107 1 9 . 1 1 29 29 GLY H H 29 8.572 8.572 8.046 0.526 17952 4108 1 9 . 1 1 30 30 THR N N 30 113.168 113.168 110.831 2.337 17952 4109 1 9 . 1 1 30 30 THR HA H 30 4.953 4.953 5.027 -0.074 17952 4110 1 9 . 1 1 30 30 THR H H 30 9.199 9.199 8.596 0.603 17952 4111 1 9 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.370 -0.073 17952 4112 1 9 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.694 0.817 17952 4113 1 9 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.950 -0.967 17952 4114 1 9 . 1 1 32 32 GLN N N 32 110.281 110.281 114.402 -4.121 17952 4115 1 9 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.267 -0.072 17952 4116 1 9 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.615 0.863 17952 4117 1 9 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.875 -0.879 17952 4118 1 9 . 1 1 32 32 GLN H H 32 7.403 7.403 7.640 -0.237 17952 4119 1 9 . 1 1 33 33 ILE N N 33 118.254 118.254 117.392 0.862 17952 4120 1 9 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.294 -0.054 17952 4121 1 9 . 1 1 33 33 ILE CB C 33 42.791 42.791 41.202 1.589 17952 4122 1 9 . 1 1 33 33 ILE H H 33 7.353 7.353 7.469 -0.116 17952 4123 1 9 . 1 1 34 34 THR N N 34 122.650 122.650 125.407 -2.757 17952 4124 1 9 . 1 1 34 34 THR HA H 34 4.946 4.946 4.753 0.193 17952 4125 1 9 . 1 1 34 34 THR CA C 34 61.792 61.792 61.753 0.039 17952 4126 1 9 . 1 1 34 34 THR CB C 34 71.752 71.752 70.234 1.518 17952 4127 1 9 . 1 1 34 34 THR H H 34 8.787 8.787 8.834 -0.047 17952 4128 1 9 . 1 1 35 35 ILE N N 35 123.778 123.778 128.351 -4.573 17952 4129 1 9 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.430 0.731 17952 4130 1 9 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.893 0.820 17952 4131 1 9 . 1 1 35 35 ILE CB C 35 40.043 40.043 39.078 0.965 17952 4132 1 9 . 1 1 35 35 ILE H H 35 9.109 9.109 8.898 0.211 17952 4133 1 9 . 1 1 36 36 LEU N N 36 132.558 132.558 129.161 3.397 17952 4134 1 9 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.789 0.845 17952 4135 1 9 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.779 -0.535 17952 4136 1 9 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.248 2.250 17952 4137 1 9 . 1 1 36 36 LEU H H 36 9.500 9.500 9.104 0.396 17952 4138 1 9 . 1 1 37 37 GLY N N 37 106.940 106.940 111.958 -5.018 17952 4139 1 9 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.543 0.715 17952 4140 1 9 . 1 1 37 37 GLY H H 37 9.058 9.058 8.847 0.211 17952 4141 1 9 . 1 1 38 38 ARG N N 38 121.378 121.378 127.777 -6.399 17952 4142 1 9 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.637 0.015 17952 4143 1 9 . 1 1 38 38 ARG CA C 38 56.285 56.285 53.672 2.613 17952 4144 1 9 . 1 1 38 38 ARG CB C 38 35.176 35.176 32.380 2.796 17952 4145 1 9 . 1 1 38 38 ARG H H 38 8.384 8.384 8.879 -0.495 17952 4146 1 9 . 1 1 39 39 LEU N N 39 129.596 129.596 126.365 3.231 17952 4147 1 9 . 1 1 39 39 LEU CB C 39 42.472 42.472 38.806 3.666 17952 4148 1 9 . 1 1 39 39 LEU H H 39 9.030 9.030 8.643 0.387 17952 4149 1 9 . 1 1 40 40 ASN N N 40 119.921 119.921 123.005 -3.084 17952 4150 1 9 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.395 -0.848 17952 4151 1 9 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.296 -0.208 17952 4152 1 9 . 1 1 40 40 ASN H H 40 8.186 8.186 7.925 0.261 17952 4153 1 9 . 1 1 41 41 SER N N 41 112.600 112.600 121.683 -9.083 17952 4154 1 9 . 1 1 41 41 SER HA H 41 4.484 4.484 4.457 0.027 17952 4155 1 9 . 1 1 41 41 SER CB C 41 62.949 62.949 62.855 0.095 17952 4156 1 9 . 1 1 41 41 SER H H 41 8.646 8.646 8.816 -0.170 17952 4157 1 9 . 1 1 42 42 LEU N N 42 120.612 120.612 128.674 -8.062 17952 4158 1 9 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.574 -0.240 17952 4159 1 9 . 1 1 42 42 LEU CA C 42 54.828 54.828 53.821 1.007 17952 4160 1 9 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.668 1.045 17952 4161 1 9 . 1 1 42 42 LEU H H 42 8.538 8.538 8.020 0.518 17952 4162 1 9 . 1 1 43 43 GLY N N 43 105.922 105.922 106.705 -0.783 17952 4163 1 9 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.114 0.157 17952 4164 1 9 . 1 1 43 43 GLY H H 43 8.317 8.317 8.340 -0.023 17952 4165 1 9 . 1 1 44 44 HIS N N 44 114.144 114.144 118.620 -4.476 17952 4166 1 9 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.954 0.111 17952 4167 1 9 . 1 1 44 44 HIS H H 44 7.145 7.145 7.680 -0.535 17952 4168 1 9 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.764 0.639 17952 4169 1 9 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.457 -0.896 17952 4170 1 9 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.832 1.264 17952 4171 1 9 . 1 1 46 46 ARG N N 46 116.294 116.294 126.908 -10.614 17952 4172 1 9 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.671 0.485 17952 4173 1 9 . 1 1 46 46 ARG CA C 46 56.154 56.154 55.155 0.999 17952 4174 1 9 . 1 1 46 46 ARG CB C 46 37.970 37.970 32.783 5.187 17952 4175 1 9 . 1 1 46 46 ARG H H 46 8.919 8.919 8.771 0.148 17952 4176 1 9 . 1 1 47 47 ILE N N 47 117.069 117.069 126.254 -9.185 17952 4177 1 9 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.855 0.829 17952 4178 1 9 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.178 -0.358 17952 4179 1 9 . 1 1 47 47 ILE CB C 47 41.712 41.712 40.772 0.940 17952 4180 1 9 . 1 1 47 47 ILE H H 47 9.106 9.106 8.622 0.484 17952 4181 1 9 . 1 1 48 48 GLY N N 48 116.903 116.903 117.444 -0.541 17952 4182 1 9 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.066 0.462 17952 4183 1 9 . 1 1 48 48 GLY H H 48 9.276 9.276 8.755 0.521 17952 4184 1 9 . 1 1 49 49 LEU N N 49 123.729 123.729 126.414 -2.685 17952 4185 1 9 . 1 1 49 49 LEU HA H 49 5.441 5.441 5.303 0.138 17952 4186 1 9 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.022 0.340 17952 4187 1 9 . 1 1 49 49 LEU CB C 49 45.545 45.545 44.112 1.433 17952 4188 1 9 . 1 1 49 49 LEU H H 49 8.957 8.957 8.604 0.353 17952 4189 1 9 . 1 1 50 50 THR N N 50 120.870 120.870 125.944 -5.074 17952 4190 1 9 . 1 1 50 50 THR HA H 50 4.616 4.616 4.702 -0.086 17952 4191 1 9 . 1 1 50 50 THR H H 50 9.419 9.419 9.205 0.214 17952 4192 1 9 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.381 -0.025 17952 4193 1 9 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.952 -0.842 17952 4194 1 9 . 1 1 51 51 VAL CB C 51 32.291 32.291 35.014 -2.723 17952 4195 1 9 . 1 1 52 52 ALA N N 52 129.415 129.415 129.706 -0.291 17952 4196 1 9 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.232 -0.920 17952 4197 1 9 . 1 1 52 52 ALA H H 52 9.046 9.046 8.220 0.826 17952 4198 1 9 . 1 1 53 53 LYS N N 53 125.023 125.023 119.191 5.832 17952 4199 1 9 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.284 -0.195 17952 4200 1 9 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.141 0.594 17952 4201 1 9 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.638 -0.542 17952 4202 1 9 . 1 1 53 53 LYS H H 53 8.811 8.811 8.696 0.115 17952 4203 1 9 . 1 1 54 54 LYS N N 54 114.126 114.126 115.863 -1.737 17952 4204 1 9 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.201 -0.160 17952 4205 1 9 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.688 0.265 17952 4206 1 9 . 1 1 54 54 LYS CB C 54 31.930 31.930 31.976 -0.046 17952 4207 1 9 . 1 1 54 54 LYS H H 54 8.073 8.073 8.347 -0.274 17952 4208 1 9 . 1 1 55 55 ASN N N 55 115.234 115.234 117.213 -1.979 17952 4209 1 9 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.695 0.163 17952 4210 1 9 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.783 -1.006 17952 4211 1 9 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.789 -0.260 17952 4212 1 9 . 1 1 55 55 ASN H H 55 7.434 7.434 7.730 -0.296 17952 4213 1 9 . 1 1 56 56 VAL N N 56 121.000 121.000 120.540 0.460 17952 4214 1 9 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.272 -0.099 17952 4215 1 9 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.384 0.377 17952 4216 1 9 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.573 1.460 17952 4217 1 9 . 1 1 56 56 VAL H H 56 7.764 7.764 7.697 0.067 17952 4218 1 9 . 1 1 57 57 ARG N N 57 125.781 125.781 124.809 0.972 17952 4219 1 9 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.367 -0.167 17952 4220 1 9 . 1 1 57 57 ARG CA C 57 58.646 58.646 57.498 1.148 17952 4221 1 9 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.212 0.792 17952 4222 1 9 . 1 1 57 57 ARG H H 57 8.441 8.441 8.540 -0.099 17952 4223 1 9 . 1 1 58 58 ARG N N 58 118.159 118.159 115.279 2.880 17952 4224 1 9 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.745 -0.151 17952 4225 1 9 . 1 1 58 58 ARG H H 58 8.250 8.250 7.422 0.828 17952 4226 1 9 . 1 1 60 60 HIS N N 60 116.957 116.957 118.124 -1.167 17952 4227 1 9 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.354 0.081 17952 4228 1 9 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.964 -0.359 17952 4229 1 9 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.566 0.381 17952 4230 1 9 . 1 1 60 60 HIS H H 60 7.600 7.600 8.502 -0.902 17952 4231 1 9 . 1 1 61 61 GLU N N 61 119.542 119.542 118.934 0.608 17952 4232 1 9 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.110 0.319 17952 4233 1 9 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.874 -2.247 17952 4234 1 9 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.578 1.227 17952 4235 1 9 . 1 1 61 61 GLU H H 61 6.702 6.702 8.714 -2.012 17952 4236 1 9 . 1 1 62 62 ARG N N 62 120.227 120.227 118.698 1.529 17952 4237 1 9 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.110 -0.377 17952 4238 1 9 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.041 2.490 17952 4239 1 9 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.914 -0.302 17952 4240 1 9 . 1 1 62 62 ARG H H 62 7.951 7.951 8.117 -0.166 17952 4241 1 9 . 1 1 63 63 ASN N N 63 116.757 116.757 117.361 -0.604 17952 4242 1 9 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.510 -0.076 17952 4243 1 9 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.027 0.181 17952 4244 1 9 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.011 -0.186 17952 4245 1 9 . 1 1 63 63 ASN H H 63 8.365 8.365 7.993 0.372 17952 4246 1 9 . 1 1 64 64 ARG N N 64 123.093 123.093 118.414 4.679 17952 4247 1 9 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.157 -0.101 17952 4248 1 9 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.816 1.322 17952 4249 1 9 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.053 0.779 17952 4250 1 9 . 1 1 64 64 ARG H H 64 7.770 7.770 7.425 0.345 17952 4251 1 9 . 1 1 65 65 ILE N N 65 117.911 117.911 119.738 -1.827 17952 4252 1 9 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.820 -0.295 17952 4253 1 9 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.955 0.760 17952 4254 1 9 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.946 0.699 17952 4255 1 9 . 1 1 65 65 ILE H H 65 8.121 8.121 7.314 0.807 17952 4256 1 9 . 1 1 66 66 LYS N N 66 122.635 122.635 118.364 4.271 17952 4257 1 9 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.354 -0.583 17952 4258 1 9 . 1 1 66 66 LYS CA C 66 60.935 60.935 58.508 2.428 17952 4259 1 9 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.276 0.148 17952 4260 1 9 . 1 1 66 66 LYS H H 66 8.337 8.337 7.575 0.762 17952 4261 1 9 . 1 1 67 67 ARG N N 67 119.137 119.137 120.585 -1.448 17952 4262 1 9 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.254 -0.246 17952 4263 1 9 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.501 1.488 17952 4264 1 9 . 1 1 67 67 ARG CB C 67 30.035 30.035 29.648 0.387 17952 4265 1 9 . 1 1 67 67 ARG H H 67 8.257 8.257 7.513 0.744 17952 4266 1 9 . 1 1 68 68 LEU N N 68 119.084 119.084 120.670 -1.586 17952 4267 1 9 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.252 -0.144 17952 4268 1 9 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.286 -0.264 17952 4269 1 9 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.425 0.177 17952 4270 1 9 . 1 1 68 68 LEU H H 68 8.427 8.427 8.433 -0.006 17952 4271 1 9 . 1 1 69 69 THR N N 69 118.019 118.019 113.117 4.902 17952 4272 1 9 . 1 1 69 69 THR CA C 69 67.701 67.701 65.452 2.249 17952 4273 1 9 . 1 1 69 69 THR H H 69 8.433 8.433 7.668 0.765 17952 4274 1 9 . 1 1 70 70 ARG N N 70 122.713 122.713 122.314 0.399 17952 4275 1 9 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.879 1.531 17952 4276 1 9 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.406 -0.356 17952 4277 1 9 . 1 1 70 70 ARG H H 70 8.346 8.346 8.199 0.147 17952 4278 1 9 . 1 1 71 71 GLU N N 71 118.890 118.890 119.010 -0.120 17952 4279 1 9 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.264 0.002 17952 4280 1 9 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.903 0.578 17952 4281 1 9 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.377 -0.061 17952 4282 1 9 . 1 1 71 71 GLU H H 71 8.334 8.334 7.932 0.402 17952 4283 1 9 . 1 1 72 72 SER N N 72 114.922 114.922 114.540 0.382 17952 4284 1 9 . 1 1 72 72 SER HA H 72 4.243 4.243 4.749 -0.506 17952 4285 1 9 . 1 1 72 72 SER CA C 72 61.292 61.292 60.580 0.712 17952 4286 1 9 . 1 1 72 72 SER CB C 72 63.065 63.065 64.123 -1.058 17952 4287 1 9 . 1 1 72 72 SER H H 72 8.205 8.205 7.531 0.674 17952 4288 1 9 . 1 1 73 73 PHE N N 73 122.665 122.665 124.356 -1.691 17952 4289 1 9 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.304 -1.195 17952 4290 1 9 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.122 0.413 17952 4291 1 9 . 1 1 73 73 PHE H H 73 7.788 7.788 8.711 -0.923 17952 4292 1 9 . 1 1 74 74 ARG N N 74 119.417 119.417 118.199 1.218 17952 4293 1 9 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.367 -0.470 17952 4294 1 9 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.552 1.649 17952 4295 1 9 . 1 1 74 74 ARG CB C 74 29.981 29.981 29.604 0.378 17952 4296 1 9 . 1 1 74 74 ARG H H 74 8.580 8.580 7.909 0.671 17952 4297 1 9 . 1 1 75 75 LEU N N 75 117.144 117.144 118.426 -1.282 17952 4298 1 9 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.546 -0.450 17952 4299 1 9 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.067 2.150 17952 4300 1 9 . 1 1 75 75 LEU CB C 75 42.788 42.788 43.765 -0.977 17952 4301 1 9 . 1 1 75 75 LEU H H 75 7.903 7.903 7.453 0.450 17952 4302 1 9 . 1 1 76 76 ARG N N 76 113.888 113.888 119.125 -5.237 17952 4303 1 9 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.519 -0.096 17952 4304 1 9 . 1 1 76 76 ARG CA C 76 54.487 54.487 53.978 0.509 17952 4305 1 9 . 1 1 76 76 ARG CB C 76 31.867 31.867 30.037 1.830 17952 4306 1 9 . 1 1 76 76 ARG H H 76 6.736 6.736 7.348 -0.612 17952 4307 1 9 . 1 1 77 77 GLN N N 77 120.009 120.009 116.468 3.541 17952 4308 1 9 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.008 3.248 17952 4309 1 9 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.655 0.933 17952 4310 1 9 . 1 1 77 77 GLN H H 77 7.273 7.273 8.178 -0.905 17952 4311 1 9 . 1 1 78 78 HIS N N 78 114.954 114.954 118.329 -3.375 17952 4312 1 9 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.551 -0.106 17952 4313 1 9 . 1 1 78 78 HIS CA C 78 57.800 57.800 58.174 -0.374 17952 4314 1 9 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.403 -1.001 17952 4315 1 9 . 1 1 78 78 HIS H H 78 8.389 8.389 8.185 0.204 17952 4316 1 9 . 1 1 79 79 GLU N N 79 118.231 118.231 117.839 0.392 17952 4317 1 9 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.258 0.149 17952 4318 1 9 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.542 -1.150 17952 4319 1 9 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.529 1.767 17952 4320 1 9 . 1 1 79 79 GLU H H 79 7.717 7.717 8.214 -0.497 17952 4321 1 9 . 1 1 80 80 LEU N N 80 119.751 119.751 119.786 -0.035 17952 4322 1 9 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.787 -0.233 17952 4323 1 9 . 1 1 80 80 LEU H H 80 6.859 6.859 7.445 -0.586 17952 4324 1 9 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.542 0.029 17952 4325 1 9 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.325 -0.601 17952 4326 1 9 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.775 -0.443 17952 4327 1 9 . 1 1 82 82 ALA N N 82 122.525 122.525 122.929 -0.404 17952 4328 1 9 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.509 -0.751 17952 4329 1 9 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.471 -2.563 17952 4330 1 9 . 1 1 82 82 ALA H H 82 8.425 8.425 8.435 -0.010 17952 4331 1 9 . 1 1 83 83 MET N N 83 122.963 122.963 121.822 1.141 17952 4332 1 9 . 1 1 83 83 MET HA H 83 4.387 4.387 5.267 -0.880 17952 4333 1 9 . 1 1 83 83 MET CA C 83 54.002 54.002 53.911 0.091 17952 4334 1 9 . 1 1 83 83 MET CB C 83 35.655 35.655 37.181 -1.526 17952 4335 1 9 . 1 1 83 83 MET H H 83 7.851 7.851 7.876 -0.025 17952 4336 1 9 . 1 1 84 84 ASP N N 84 121.733 121.733 120.339 1.394 17952 4337 1 9 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.787 -0.035 17952 4338 1 9 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.286 0.352 17952 4339 1 9 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.845 -0.855 17952 4340 1 9 . 1 1 84 84 ASP H H 84 8.393 8.393 7.935 0.458 17952 4341 1 9 . 1 1 85 85 PHE N N 85 121.368 121.368 124.197 -2.829 17952 4342 1 9 . 1 1 85 85 PHE HA H 85 5.956 5.956 5.132 0.824 17952 4343 1 9 . 1 1 85 85 PHE CB C 85 42.080 42.080 40.747 1.333 17952 4344 1 9 . 1 1 85 85 PHE H H 85 8.849 8.849 8.879 -0.030 17952 4345 1 9 . 1 1 86 86 VAL N N 86 120.431 120.431 125.059 -4.628 17952 4346 1 9 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.736 -0.120 17952 4347 1 9 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.218 0.656 17952 4348 1 9 . 1 1 86 86 VAL CB C 86 34.882 34.882 33.368 1.514 17952 4349 1 9 . 1 1 86 86 VAL H H 86 9.407 9.407 8.898 0.509 17952 4350 1 9 . 1 1 87 87 VAL N N 87 127.860 127.860 130.636 -2.776 17952 4351 1 9 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.385 0.232 17952 4352 1 9 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.809 -0.389 17952 4353 1 9 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.742 -0.620 17952 4354 1 9 . 1 1 87 87 VAL H H 87 8.843 8.843 9.243 -0.400 17952 4355 1 9 . 1 1 88 88 VAL N N 88 128.150 128.150 128.800 -0.650 17952 4356 1 9 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.757 -0.102 17952 4357 1 9 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.254 1.012 17952 4358 1 9 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.999 0.440 17952 4359 1 9 . 1 1 88 88 VAL H H 88 9.538 9.538 9.159 0.379 17952 4360 1 9 . 1 1 89 89 ALA N N 89 128.337 128.337 131.991 -3.654 17952 4361 1 9 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.335 0.269 17952 4362 1 9 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.445 1.426 17952 4363 1 9 . 1 1 89 89 ALA H H 89 8.170 8.170 8.665 -0.495 17952 4364 1 9 . 1 1 90 90 LYS N N 90 123.110 123.110 123.520 -0.410 17952 4365 1 9 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.532 -0.055 17952 4366 1 9 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.197 0.913 17952 4367 1 9 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.827 -0.372 17952 4368 1 9 . 1 1 90 90 LYS H H 90 8.231 8.231 8.555 -0.324 17952 4369 1 9 . 1 1 91 91 LYS N N 91 119.291 119.291 120.010 -0.719 17952 4370 1 9 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.535 -0.487 17952 4371 1 9 . 1 1 91 91 LYS CA C 91 59.171 59.171 56.929 2.242 17952 4372 1 9 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.864 -0.645 17952 4373 1 9 . 1 1 91 91 LYS H H 91 8.162 8.162 8.591 -0.429 17952 4374 1 9 . 1 1 92 92 GLY N N 92 112.991 112.991 115.286 -2.295 17952 4375 1 9 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.667 -0.531 17952 4376 1 9 . 1 1 92 92 GLY H H 92 8.783 8.783 8.616 0.167 17952 4377 1 9 . 1 1 93 93 VAL N N 93 122.937 122.937 122.591 0.346 17952 4378 1 9 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.860 -0.130 17952 4379 1 9 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.137 -0.226 17952 4380 1 9 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.168 -1.170 17952 4381 1 9 . 1 1 93 93 VAL H H 93 8.363 8.363 7.373 0.990 17952 4382 1 9 . 1 1 94 94 ALA N N 94 119.882 119.882 118.812 1.070 17952 4383 1 9 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.134 -0.038 17952 4384 1 9 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.468 0.201 17952 4385 1 9 . 1 1 94 94 ALA H H 94 7.960 7.960 8.258 -0.298 17952 4386 1 9 . 1 1 95 95 ASP N N 95 114.705 114.705 118.041 -3.336 17952 4387 1 9 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.823 -0.331 17952 4388 1 9 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.273 1.588 17952 4389 1 9 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.622 -0.739 17952 4390 1 9 . 1 1 95 95 ASP H H 95 7.360 7.360 7.673 -0.313 17952 4391 1 9 . 1 1 96 96 LEU N N 96 120.424 120.424 118.717 1.707 17952 4392 1 9 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.324 0.134 17952 4393 1 9 . 1 1 96 96 LEU CA C 96 54.357 54.357 55.016 -0.659 17952 4394 1 9 . 1 1 96 96 LEU CB C 96 42.433 42.433 42.227 0.206 17952 4395 1 9 . 1 1 96 96 LEU H H 96 7.389 7.389 7.386 0.003 17952 4396 1 9 . 1 1 97 97 ASP N N 97 123.018 123.018 120.632 2.386 17952 4397 1 9 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.568 -0.038 17952 4398 1 9 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.857 -1.022 17952 4399 1 9 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.237 -2.736 17952 4400 1 9 . 1 1 97 97 ASP H H 97 8.473 8.473 8.280 0.193 17952 4401 1 9 . 1 1 98 98 ASN N N 98 117.692 117.692 120.707 -3.015 17952 4402 1 9 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.479 -0.343 17952 4403 1 9 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.293 1.572 17952 4404 1 9 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.817 -1.877 17952 4405 1 9 . 1 1 98 98 ASN H H 98 8.651 8.651 8.819 -0.168 17952 4406 1 9 . 1 1 99 99 ARG N N 99 120.819 120.819 118.598 2.221 17952 4407 1 9 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.328 -0.275 17952 4408 1 9 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.319 1.179 17952 4409 1 9 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.886 -1.569 17952 4410 1 9 . 1 1 99 99 ARG H H 99 8.191 8.191 8.824 -0.633 17952 4411 1 9 . 1 1 100 100 ALA N N 100 122.928 122.928 122.522 0.406 17952 4412 1 9 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.112 0.039 17952 4413 1 9 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.761 0.288 17952 4414 1 9 . 1 1 100 100 ALA CB C 100 18.997 18.997 17.988 1.009 17952 4415 1 9 . 1 1 100 100 ALA H H 100 8.524 8.524 7.912 0.612 17952 4416 1 9 . 1 1 101 101 LEU N N 101 120.795 120.795 116.604 4.191 17952 4417 1 9 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.072 0.026 17952 4418 1 9 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.651 0.584 17952 4419 1 9 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.267 0.242 17952 4420 1 9 . 1 1 101 101 LEU H H 101 8.961 8.961 7.743 1.218 17952 4421 1 9 . 1 1 102 102 SER N N 102 115.314 115.314 115.016 0.298 17952 4422 1 9 . 1 1 102 102 SER HA H 102 4.123 4.123 4.315 -0.192 17952 4423 1 9 . 1 1 102 102 SER CB C 102 62.761 62.761 63.736 -0.975 17952 4424 1 9 . 1 1 102 102 SER H H 102 8.459 8.459 7.962 0.497 17952 4425 1 9 . 1 1 103 103 GLU N N 103 122.468 122.468 121.827 0.641 17952 4426 1 9 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.091 0.039 17952 4427 1 9 . 1 1 103 103 GLU CA C 103 59.468 59.468 59.014 0.453 17952 4428 1 9 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.524 0.004 17952 4429 1 9 . 1 1 103 103 GLU H H 103 8.492 8.492 7.831 0.661 17952 4430 1 9 . 1 1 104 104 ALA N N 104 123.159 123.159 121.045 2.114 17952 4431 1 9 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.238 -0.148 17952 4432 1 9 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.333 0.909 17952 4433 1 9 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.353 -0.526 17952 4434 1 9 . 1 1 104 104 ALA H H 104 8.074 8.074 8.307 -0.233 17952 4435 1 9 . 1 1 105 105 LEU N N 105 116.602 116.602 120.646 -4.044 17952 4436 1 9 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.679 -0.127 17952 4437 1 9 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.594 0.810 17952 4438 1 9 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.548 0.071 17952 4439 1 9 . 1 1 105 105 LEU H H 105 8.318 8.318 7.847 0.471 17952 4440 1 9 . 1 1 106 106 GLU N N 106 117.564 117.564 117.613 -0.049 17952 4441 1 9 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.190 0.042 17952 4442 1 9 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.270 1.146 17952 4443 1 9 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.969 -0.044 17952 4444 1 9 . 1 1 106 106 GLU H H 106 8.009 8.009 7.894 0.115 17952 4445 1 9 . 1 1 107 107 LYS N N 107 117.286 117.286 119.897 -2.611 17952 4446 1 9 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.123 -0.149 17952 4447 1 9 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.226 1.681 17952 4448 1 9 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.792 0.589 17952 4449 1 9 . 1 1 107 107 LYS H H 107 7.787 7.787 7.405 0.382 17952 4450 1 9 . 1 1 108 108 LEU N N 108 120.504 120.504 120.187 0.317 17952 4451 1 9 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.897 0.082 17952 4452 1 9 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.668 0.149 17952 4453 1 9 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.364 0.936 17952 4454 1 9 . 1 1 108 108 LEU H H 108 7.875 7.875 7.737 0.138 17952 4455 1 9 . 1 1 109 109 TRP N N 109 120.547 120.547 118.121 2.426 17952 4456 1 9 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.557 -0.670 17952 4457 1 9 . 1 1 109 109 TRP CB C 109 30.763 30.763 28.407 2.356 17952 4458 1 9 . 1 1 109 109 TRP H H 109 9.048 9.048 7.502 1.546 17952 4459 1 9 . 1 1 110 110 ARG N N 110 117.678 117.678 119.150 -1.472 17952 4460 1 9 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.948 0.126 17952 4461 1 9 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.933 0.310 17952 4462 1 9 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.303 -0.662 17952 4463 1 9 . 1 1 110 110 ARG H H 110 8.425 8.425 8.245 0.180 17952 4464 1 9 . 1 1 111 111 ARG N N 111 121.156 121.156 118.201 2.955 17952 4465 1 9 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.185 -0.010 17952 4466 1 9 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.234 0.834 17952 4467 1 9 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.749 -0.679 17952 4468 1 9 . 1 1 111 111 ARG H H 111 8.100 8.100 7.970 0.130 17952 4469 1 9 . 1 1 112 112 HIS N N 112 118.118 118.118 119.923 -1.805 17952 4470 1 9 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.400 -0.097 17952 4471 1 9 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.566 1.970 17952 4472 1 9 . 1 1 112 112 HIS CB C 112 31.917 31.917 29.974 1.943 17952 4473 1 9 . 1 1 112 112 HIS H H 112 8.250 8.250 8.233 0.017 17952 4474 1 9 . 1 1 113 113 CYS N N 113 117.579 117.579 118.548 -0.969 17952 4475 1 9 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.233 0.031 17952 4476 1 9 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.432 2.704 17952 4477 1 9 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.564 -0.779 17952 4478 1 9 . 1 1 113 113 CYS H H 113 8.181 8.181 8.378 -0.197 17952 4479 1 9 . 1 1 114 114 ARG N N 114 120.172 120.172 118.873 1.299 17952 4480 1 9 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.056 0.091 17952 4481 1 9 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.335 0.715 17952 4482 1 9 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.422 0.396 17952 4483 1 9 . 1 1 114 114 ARG H H 114 7.870 7.870 7.516 0.354 17952 4484 1 9 . 1 1 115 115 LEU N N 115 120.720 120.720 119.371 1.349 17952 4485 1 9 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.070 0.047 17952 4486 1 9 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.781 -0.419 17952 4487 1 9 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.569 0.333 17952 4488 1 9 . 1 1 115 115 LEU H H 115 8.690 8.690 8.144 0.546 17952 4489 1 9 . 1 1 116 116 ALA N N 116 119.118 119.118 120.343 -1.225 17952 4490 1 9 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.371 -0.004 17952 4491 1 9 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.647 0.441 17952 4492 1 9 . 1 1 116 116 ALA H H 116 7.751 7.751 7.470 0.281 17952 4493 1 9 . 1 1 117 117 ARG N N 117 117.010 117.010 117.720 -0.710 17952 4494 1 9 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.459 -0.071 17952 4495 1 9 . 1 1 117 117 ARG CA C 117 57.046 57.046 54.031 3.015 17952 4496 1 9 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.031 0.827 17952 4497 1 9 . 1 1 117 117 ARG H H 117 7.602 7.602 7.504 0.098 17952 4498 1 9 . 1 1 118 118 GLY N N 118 108.836 108.836 109.848 -1.012 17952 4499 1 9 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.880 -0.314 17952 4500 1 9 . 1 1 118 118 GLY H H 118 8.087 8.087 7.712 0.375 17952 4501 1 10 . 1 1 3 3 LYS CA C 3 56.191 56.191 54.976 1.215 17952 4502 1 10 . 1 1 3 3 LYS CB C 3 32.966 32.966 31.108 1.858 17952 4503 1 10 . 1 1 4 4 LEU N N 4 125.667 125.667 120.035 5.632 17952 4504 1 10 . 1 1 4 4 LEU HA H 4 4.387 4.387 3.658 0.729 17952 4505 1 10 . 1 1 4 4 LEU CA C 4 54.667 54.667 54.892 -0.226 17952 4506 1 10 . 1 1 4 4 LEU CB C 4 42.618 42.618 39.517 3.101 17952 4507 1 10 . 1 1 4 4 LEU H H 4 8.498 8.498 7.877 0.621 17952 4508 1 10 . 1 1 5 5 ALA N N 5 126.419 126.419 122.739 3.680 17952 4509 1 10 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.365 0.006 17952 4510 1 10 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.101 0.236 17952 4511 1 10 . 1 1 5 5 ALA H H 5 8.435 8.435 7.785 0.650 17952 4512 1 10 . 1 1 6 6 PHE N N 6 124.718 124.718 122.925 1.793 17952 4513 1 10 . 1 1 6 6 PHE H H 6 8.714 8.714 8.250 0.464 17952 4514 1 10 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.592 -0.356 17952 4515 1 10 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.600 1.136 17952 4516 1 10 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.767 -0.365 17952 4517 1 10 . 1 1 8 8 ARG N N 8 124.351 124.351 120.475 3.876 17952 4518 1 10 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.100 -0.316 17952 4519 1 10 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.982 0.990 17952 4520 1 10 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.557 0.699 17952 4521 1 10 . 1 1 8 8 ARG H H 8 8.650 8.650 8.712 -0.062 17952 4522 1 10 . 1 1 9 9 GLU N N 9 117.015 117.015 118.395 -1.380 17952 4523 1 10 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.239 0.002 17952 4524 1 10 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.318 0.218 17952 4525 1 10 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.258 -0.972 17952 4526 1 10 . 1 1 9 9 GLU H H 9 9.522 9.522 8.482 1.040 17952 4527 1 10 . 1 1 10 10 LEU N N 10 116.269 116.269 118.688 -2.419 17952 4528 1 10 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.372 0.310 17952 4529 1 10 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.024 -0.700 17952 4530 1 10 . 1 1 10 10 LEU CB C 10 42.305 42.305 43.144 -0.839 17952 4531 1 10 . 1 1 10 10 LEU H H 10 7.285 7.285 7.374 -0.089 17952 4532 1 10 . 1 1 11 11 ARG N N 11 116.982 116.982 120.266 -3.284 17952 4533 1 10 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.359 0.686 17952 4534 1 10 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.813 -0.142 17952 4535 1 10 . 1 1 11 11 ARG CB C 11 32.827 32.827 28.942 3.885 17952 4536 1 10 . 1 1 11 11 ARG H H 11 7.618 7.618 7.595 0.023 17952 4537 1 10 . 1 1 12 12 LEU N N 12 119.127 119.127 125.334 -6.207 17952 4538 1 10 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.630 -0.301 17952 4539 1 10 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.575 0.540 17952 4540 1 10 . 1 1 12 12 LEU CB C 12 41.683 41.683 43.690 -2.007 17952 4541 1 10 . 1 1 12 12 LEU H H 12 7.289 7.289 7.917 -0.628 17952 4542 1 10 . 1 1 13 13 LEU N N 13 123.181 123.181 124.083 -0.902 17952 4543 1 10 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.573 0.174 17952 4544 1 10 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.677 1.513 17952 4545 1 10 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.152 5.082 17952 4546 1 10 . 1 1 13 13 LEU H H 13 8.816 8.816 8.484 0.332 17952 4547 1 10 . 1 1 14 14 THR N N 14 111.810 111.810 121.747 -9.937 17952 4548 1 10 . 1 1 14 14 THR HA H 14 5.104 5.104 4.676 0.428 17952 4549 1 10 . 1 1 14 14 THR H H 14 8.321 8.321 7.935 0.386 17952 4550 1 10 . 1 1 16 16 SER HA H 16 4.282 4.282 4.568 -0.286 17952 4551 1 10 . 1 1 16 16 SER CB C 16 62.228 62.228 62.209 0.019 17952 4552 1 10 . 1 1 17 17 GLN N N 17 122.336 122.336 124.567 -2.231 17952 4553 1 10 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.049 0.029 17952 4554 1 10 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.668 -0.546 17952 4555 1 10 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.783 0.320 17952 4556 1 10 . 1 1 17 17 GLN H H 17 7.967 7.967 7.986 -0.019 17952 4557 1 10 . 1 1 18 18 PHE N N 18 119.658 119.658 119.490 0.168 17952 4558 1 10 . 1 1 18 18 PHE CA C 18 61.640 61.640 60.888 0.752 17952 4559 1 10 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.706 -0.216 17952 4560 1 10 . 1 1 18 18 PHE H H 18 7.733 7.733 8.554 -0.821 17952 4561 1 10 . 1 1 19 19 THR N N 19 116.141 116.141 115.179 0.962 17952 4562 1 10 . 1 1 19 19 THR HA H 19 3.911 3.911 4.053 -0.142 17952 4563 1 10 . 1 1 19 19 THR CA C 19 67.058 67.058 65.774 1.284 17952 4564 1 10 . 1 1 19 19 THR CB C 19 68.790 68.790 68.538 0.252 17952 4565 1 10 . 1 1 19 19 THR H H 19 8.622 8.622 7.873 0.749 17952 4566 1 10 . 1 1 20 20 PHE N N 20 119.904 119.904 121.225 -1.321 17952 4567 1 10 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.538 -0.389 17952 4568 1 10 . 1 1 20 20 PHE CB C 20 39.260 39.260 40.440 -1.180 17952 4569 1 10 . 1 1 20 20 PHE H H 20 7.728 7.728 7.667 0.061 17952 4570 1 10 . 1 1 21 21 VAL N N 21 117.896 117.896 117.412 0.484 17952 4571 1 10 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.718 -0.636 17952 4572 1 10 . 1 1 21 21 VAL CA C 21 66.336 66.336 65.093 1.243 17952 4573 1 10 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.155 0.433 17952 4574 1 10 . 1 1 21 21 VAL H H 21 6.861 6.861 8.648 -1.787 17952 4575 1 10 . 1 1 22 22 PHE N N 22 114.352 114.352 116.755 -2.403 17952 4576 1 10 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.281 -0.270 17952 4577 1 10 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.246 -0.661 17952 4578 1 10 . 1 1 22 22 PHE H H 22 7.653 7.653 7.448 0.205 17952 4579 1 10 . 1 1 23 23 GLN N N 23 116.245 116.245 118.317 -2.072 17952 4580 1 10 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.939 0.094 17952 4581 1 10 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.836 0.579 17952 4582 1 10 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.864 0.086 17952 4583 1 10 . 1 1 23 23 GLN H H 23 7.928 7.928 7.281 0.647 17952 4584 1 10 . 1 1 24 24 GLN N N 24 114.087 114.087 116.259 -2.172 17952 4585 1 10 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.715 -0.290 17952 4586 1 10 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.323 1.368 17952 4587 1 10 . 1 1 24 24 GLN CB C 24 29.457 29.457 29.385 0.072 17952 4588 1 10 . 1 1 24 24 GLN H H 24 6.731 6.731 8.254 -1.523 17952 4589 1 10 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.619 0.409 17952 4590 1 10 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.567 1.612 17952 4591 1 10 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.112 -0.535 17952 4592 1 10 . 1 1 26 26 GLN N N 26 120.107 120.107 120.276 -0.169 17952 4593 1 10 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.032 1.247 17952 4594 1 10 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.691 0.865 17952 4595 1 10 . 1 1 26 26 GLN H H 26 9.622 9.622 8.392 1.230 17952 4596 1 10 . 1 1 27 27 ARG N N 27 125.712 125.712 126.832 -1.120 17952 4597 1 10 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.230 0.990 17952 4598 1 10 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.923 0.202 17952 4599 1 10 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.686 4.955 17952 4600 1 10 . 1 1 27 27 ARG H H 27 9.068 9.068 8.889 0.179 17952 4601 1 10 . 1 1 28 28 ALA N N 28 123.402 123.402 127.404 -4.002 17952 4602 1 10 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.832 -0.318 17952 4603 1 10 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.807 0.112 17952 4604 1 10 . 1 1 28 28 ALA H H 28 8.102 8.102 8.316 -0.214 17952 4605 1 10 . 1 1 29 29 GLY N N 29 109.532 109.532 106.928 2.604 17952 4606 1 10 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.712 1.172 17952 4607 1 10 . 1 1 29 29 GLY H H 29 8.572 8.572 8.611 -0.039 17952 4608 1 10 . 1 1 30 30 THR N N 30 113.168 113.168 112.803 0.365 17952 4609 1 10 . 1 1 30 30 THR HA H 30 4.953 4.953 4.938 0.015 17952 4610 1 10 . 1 1 30 30 THR H H 30 9.199 9.199 8.548 0.651 17952 4611 1 10 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.643 -0.346 17952 4612 1 10 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.642 0.869 17952 4613 1 10 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.062 -1.079 17952 4614 1 10 . 1 1 32 32 GLN N N 32 110.281 110.281 116.945 -6.664 17952 4615 1 10 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.383 -0.188 17952 4616 1 10 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.443 1.035 17952 4617 1 10 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.929 -0.933 17952 4618 1 10 . 1 1 32 32 GLN H H 32 7.403 7.403 8.167 -0.764 17952 4619 1 10 . 1 1 33 33 ILE N N 33 118.254 118.254 119.448 -1.194 17952 4620 1 10 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.844 0.396 17952 4621 1 10 . 1 1 33 33 ILE CB C 33 42.791 42.791 40.018 2.773 17952 4622 1 10 . 1 1 33 33 ILE H H 33 7.353 7.353 8.233 -0.880 17952 4623 1 10 . 1 1 34 34 THR N N 34 122.650 122.650 126.664 -4.014 17952 4624 1 10 . 1 1 34 34 THR HA H 34 4.946 4.946 5.125 -0.179 17952 4625 1 10 . 1 1 34 34 THR CA C 34 61.792 61.792 61.828 -0.036 17952 4626 1 10 . 1 1 34 34 THR CB C 34 71.752 71.752 69.835 1.917 17952 4627 1 10 . 1 1 34 34 THR H H 34 8.787 8.787 8.867 -0.080 17952 4628 1 10 . 1 1 35 35 ILE N N 35 123.778 123.778 128.093 -4.315 17952 4629 1 10 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.631 0.530 17952 4630 1 10 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.699 1.014 17952 4631 1 10 . 1 1 35 35 ILE CB C 35 40.043 40.043 39.459 0.584 17952 4632 1 10 . 1 1 35 35 ILE H H 35 9.109 9.109 8.768 0.341 17952 4633 1 10 . 1 1 36 36 LEU N N 36 132.558 132.558 128.811 3.747 17952 4634 1 10 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.305 0.329 17952 4635 1 10 . 1 1 36 36 LEU CA C 36 53.244 53.244 52.839 0.405 17952 4636 1 10 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.352 2.146 17952 4637 1 10 . 1 1 36 36 LEU H H 36 9.500 9.500 9.118 0.382 17952 4638 1 10 . 1 1 37 37 GLY N N 37 106.940 106.940 110.545 -3.605 17952 4639 1 10 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.783 0.475 17952 4640 1 10 . 1 1 37 37 GLY H H 37 9.058 9.058 8.300 0.758 17952 4641 1 10 . 1 1 38 38 ARG N N 38 121.378 121.378 122.582 -1.204 17952 4642 1 10 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.906 -0.254 17952 4643 1 10 . 1 1 38 38 ARG CA C 38 56.285 56.285 53.844 2.441 17952 4644 1 10 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.675 1.501 17952 4645 1 10 . 1 1 38 38 ARG H H 38 8.384 8.384 7.772 0.612 17952 4646 1 10 . 1 1 39 39 LEU N N 39 129.596 129.596 123.027 6.569 17952 4647 1 10 . 1 1 39 39 LEU CB C 39 42.472 42.472 40.835 1.637 17952 4648 1 10 . 1 1 39 39 LEU H H 39 9.030 9.030 8.528 0.502 17952 4649 1 10 . 1 1 40 40 ASN N N 40 119.921 119.921 124.174 -4.253 17952 4650 1 10 . 1 1 40 40 ASN CA C 40 51.546 51.546 53.402 -1.856 17952 4651 1 10 . 1 1 40 40 ASN CB C 40 41.088 41.088 39.311 1.777 17952 4652 1 10 . 1 1 40 40 ASN H H 40 8.186 8.186 8.038 0.148 17952 4653 1 10 . 1 1 41 41 SER N N 41 112.600 112.600 119.932 -7.332 17952 4654 1 10 . 1 1 41 41 SER HA H 41 4.484 4.484 4.614 -0.130 17952 4655 1 10 . 1 1 41 41 SER CB C 41 62.949 62.949 63.318 -0.368 17952 4656 1 10 . 1 1 41 41 SER H H 41 8.646 8.646 8.724 -0.078 17952 4657 1 10 . 1 1 42 42 LEU N N 42 120.612 120.612 121.815 -1.203 17952 4658 1 10 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.445 -0.111 17952 4659 1 10 . 1 1 42 42 LEU CA C 42 54.828 54.828 55.431 -0.603 17952 4660 1 10 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.508 1.205 17952 4661 1 10 . 1 1 42 42 LEU H H 42 8.538 8.538 7.873 0.665 17952 4662 1 10 . 1 1 43 43 GLY N N 43 105.922 105.922 106.357 -0.435 17952 4663 1 10 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.399 -0.128 17952 4664 1 10 . 1 1 43 43 GLY H H 43 8.317 8.317 8.621 -0.304 17952 4665 1 10 . 1 1 44 44 HIS N N 44 114.144 114.144 119.910 -5.766 17952 4666 1 10 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.840 0.225 17952 4667 1 10 . 1 1 44 44 HIS H H 44 7.145 7.145 7.878 -0.733 17952 4668 1 10 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.524 0.879 17952 4669 1 10 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.288 0.272 17952 4670 1 10 . 1 1 45 45 PRO CB C 45 33.097 33.097 32.802 0.295 17952 4671 1 10 . 1 1 46 46 ARG N N 46 116.294 116.294 120.085 -3.791 17952 4672 1 10 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.449 0.707 17952 4673 1 10 . 1 1 46 46 ARG CA C 46 56.154 56.154 55.039 1.115 17952 4674 1 10 . 1 1 46 46 ARG CB C 46 37.970 37.970 31.468 6.502 17952 4675 1 10 . 1 1 46 46 ARG H H 46 8.919 8.919 8.321 0.598 17952 4676 1 10 . 1 1 47 47 ILE N N 47 117.069 117.069 126.409 -9.340 17952 4677 1 10 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.007 1.677 17952 4678 1 10 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.216 -1.396 17952 4679 1 10 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.656 3.056 17952 4680 1 10 . 1 1 47 47 ILE H H 47 9.106 9.106 8.522 0.584 17952 4681 1 10 . 1 1 48 48 GLY N N 48 116.903 116.903 115.817 1.086 17952 4682 1 10 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.148 0.381 17952 4683 1 10 . 1 1 48 48 GLY H H 48 9.276 9.276 8.138 1.138 17952 4684 1 10 . 1 1 49 49 LEU N N 49 123.729 123.729 122.970 0.759 17952 4685 1 10 . 1 1 49 49 LEU HA H 49 5.441 5.441 5.141 0.300 17952 4686 1 10 . 1 1 49 49 LEU CA C 49 54.362 54.362 53.694 0.668 17952 4687 1 10 . 1 1 49 49 LEU CB C 49 45.545 45.545 44.131 1.414 17952 4688 1 10 . 1 1 49 49 LEU H H 49 8.957 8.957 8.384 0.573 17952 4689 1 10 . 1 1 50 50 THR N N 50 120.870 120.870 125.489 -4.619 17952 4690 1 10 . 1 1 50 50 THR HA H 50 4.616 4.616 4.411 0.205 17952 4691 1 10 . 1 1 50 50 THR H H 50 9.419 9.419 9.223 0.196 17952 4692 1 10 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.323 0.033 17952 4693 1 10 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.327 -0.217 17952 4694 1 10 . 1 1 51 51 VAL CB C 51 32.291 32.291 35.071 -2.780 17952 4695 1 10 . 1 1 52 52 ALA N N 52 129.415 129.415 130.905 -1.490 17952 4696 1 10 . 1 1 52 52 ALA CB C 52 19.312 19.312 19.873 -0.561 17952 4697 1 10 . 1 1 52 52 ALA H H 52 9.046 9.046 8.931 0.115 17952 4698 1 10 . 1 1 53 53 LYS N N 53 125.023 125.023 119.951 5.072 17952 4699 1 10 . 1 1 53 53 LYS HA H 53 4.089 4.089 3.995 0.094 17952 4700 1 10 . 1 1 53 53 LYS CA C 53 58.735 58.735 59.166 -0.431 17952 4701 1 10 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.330 -0.234 17952 4702 1 10 . 1 1 53 53 LYS H H 53 8.811 8.811 8.686 0.125 17952 4703 1 10 . 1 1 54 54 LYS N N 54 114.126 114.126 113.244 0.882 17952 4704 1 10 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.424 -0.383 17952 4705 1 10 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.480 1.473 17952 4706 1 10 . 1 1 54 54 LYS CB C 54 31.930 31.930 31.428 0.502 17952 4707 1 10 . 1 1 54 54 LYS H H 54 8.073 8.073 7.965 0.108 17952 4708 1 10 . 1 1 55 55 ASN N N 55 115.234 115.234 117.885 -2.651 17952 4709 1 10 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.672 0.186 17952 4710 1 10 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.510 -0.733 17952 4711 1 10 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.352 0.177 17952 4712 1 10 . 1 1 55 55 ASN H H 55 7.434 7.434 7.679 -0.245 17952 4713 1 10 . 1 1 56 56 VAL N N 56 121.000 121.000 118.561 2.439 17952 4714 1 10 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.144 0.029 17952 4715 1 10 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.564 0.197 17952 4716 1 10 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.453 0.580 17952 4717 1 10 . 1 1 56 56 VAL H H 56 7.764 7.764 7.325 0.439 17952 4718 1 10 . 1 1 57 57 ARG N N 57 125.781 125.781 126.380 -0.599 17952 4719 1 10 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.112 0.088 17952 4720 1 10 . 1 1 57 57 ARG CA C 57 58.646 58.646 58.008 0.638 17952 4721 1 10 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.723 0.281 17952 4722 1 10 . 1 1 57 57 ARG H H 57 8.441 8.441 8.552 -0.111 17952 4723 1 10 . 1 1 58 58 ARG N N 58 118.159 118.159 119.041 -0.882 17952 4724 1 10 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.478 0.116 17952 4725 1 10 . 1 1 58 58 ARG H H 58 8.250 8.250 8.071 0.179 17952 4726 1 10 . 1 1 60 60 HIS N N 60 116.957 116.957 113.547 3.410 17952 4727 1 10 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.367 0.068 17952 4728 1 10 . 1 1 60 60 HIS CA C 60 59.605 59.605 57.052 2.553 17952 4729 1 10 . 1 1 60 60 HIS CB C 60 29.947 29.947 28.517 1.430 17952 4730 1 10 . 1 1 60 60 HIS H H 60 7.600 7.600 8.373 -0.773 17952 4731 1 10 . 1 1 61 61 GLU N N 61 119.542 119.542 120.108 -0.566 17952 4732 1 10 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.167 0.262 17952 4733 1 10 . 1 1 61 61 GLU CA C 61 57.628 57.628 57.621 0.007 17952 4734 1 10 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.674 1.131 17952 4735 1 10 . 1 1 61 61 GLU H H 61 6.702 6.702 8.032 -1.330 17952 4736 1 10 . 1 1 62 62 ARG N N 62 120.227 120.227 119.258 0.969 17952 4737 1 10 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.098 -0.365 17952 4738 1 10 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.870 2.661 17952 4739 1 10 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.310 0.302 17952 4740 1 10 . 1 1 62 62 ARG H H 62 7.951 7.951 7.708 0.243 17952 4741 1 10 . 1 1 63 63 ASN N N 63 116.757 116.757 118.782 -2.025 17952 4742 1 10 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.619 -0.185 17952 4743 1 10 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.530 0.678 17952 4744 1 10 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.019 -0.194 17952 4745 1 10 . 1 1 63 63 ASN H H 63 8.365 8.365 8.036 0.329 17952 4746 1 10 . 1 1 64 64 ARG N N 64 123.093 123.093 121.678 1.415 17952 4747 1 10 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.193 -0.137 17952 4748 1 10 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.995 1.143 17952 4749 1 10 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.028 0.804 17952 4750 1 10 . 1 1 64 64 ARG H H 64 7.770 7.770 7.502 0.268 17952 4751 1 10 . 1 1 65 65 ILE N N 65 117.911 117.911 119.025 -1.114 17952 4752 1 10 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.783 -0.258 17952 4753 1 10 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.911 0.804 17952 4754 1 10 . 1 1 65 65 ILE CB C 65 37.645 37.645 37.157 0.488 17952 4755 1 10 . 1 1 65 65 ILE H H 65 8.121 8.121 7.822 0.299 17952 4756 1 10 . 1 1 66 66 LYS N N 66 122.635 122.635 119.043 3.592 17952 4757 1 10 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.187 -0.416 17952 4758 1 10 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.126 1.809 17952 4759 1 10 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.096 0.328 17952 4760 1 10 . 1 1 66 66 LYS H H 66 8.337 8.337 8.127 0.209 17952 4761 1 10 . 1 1 67 67 ARG N N 67 119.137 119.137 120.016 -0.879 17952 4762 1 10 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.159 -0.151 17952 4763 1 10 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.861 1.129 17952 4764 1 10 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.205 -0.170 17952 4765 1 10 . 1 1 67 67 ARG H H 67 8.257 8.257 7.558 0.699 17952 4766 1 10 . 1 1 68 68 LEU N N 68 119.084 119.084 121.224 -2.140 17952 4767 1 10 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.181 -0.073 17952 4768 1 10 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.109 -0.087 17952 4769 1 10 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.551 0.051 17952 4770 1 10 . 1 1 68 68 LEU H H 68 8.427 8.427 7.768 0.659 17952 4771 1 10 . 1 1 69 69 THR N N 69 118.019 118.019 111.811 6.208 17952 4772 1 10 . 1 1 69 69 THR CA C 69 67.701 67.701 66.121 1.580 17952 4773 1 10 . 1 1 69 69 THR H H 69 8.433 8.433 8.155 0.278 17952 4774 1 10 . 1 1 70 70 ARG N N 70 122.713 122.713 119.791 2.922 17952 4775 1 10 . 1 1 70 70 ARG CA C 70 61.410 61.410 58.907 2.503 17952 4776 1 10 . 1 1 70 70 ARG CB C 70 30.050 30.050 29.993 0.057 17952 4777 1 10 . 1 1 70 70 ARG H H 70 8.346 8.346 7.990 0.356 17952 4778 1 10 . 1 1 71 71 GLU N N 71 118.890 118.890 119.289 -0.399 17952 4779 1 10 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.216 0.050 17952 4780 1 10 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.041 0.440 17952 4781 1 10 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.764 -0.448 17952 4782 1 10 . 1 1 71 71 GLU H H 71 8.334 8.334 7.808 0.526 17952 4783 1 10 . 1 1 72 72 SER N N 72 114.922 114.922 117.405 -2.483 17952 4784 1 10 . 1 1 72 72 SER HA H 72 4.243 4.243 4.141 0.102 17952 4785 1 10 . 1 1 72 72 SER CA C 72 61.292 61.292 61.843 -0.550 17952 4786 1 10 . 1 1 72 72 SER CB C 72 63.065 63.065 62.828 0.237 17952 4787 1 10 . 1 1 72 72 SER H H 72 8.205 8.205 7.800 0.405 17952 4788 1 10 . 1 1 73 73 PHE N N 73 122.665 122.665 119.560 3.105 17952 4789 1 10 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.289 -1.180 17952 4790 1 10 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.986 0.549 17952 4791 1 10 . 1 1 73 73 PHE H H 73 7.788 7.788 7.854 -0.066 17952 4792 1 10 . 1 1 74 74 ARG N N 74 119.417 119.417 117.089 2.328 17952 4793 1 10 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.396 -0.499 17952 4794 1 10 . 1 1 74 74 ARG CA C 74 59.201 59.201 56.583 2.618 17952 4795 1 10 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.381 -0.400 17952 4796 1 10 . 1 1 74 74 ARG H H 74 8.580 8.580 7.766 0.814 17952 4797 1 10 . 1 1 75 75 LEU N N 75 117.144 117.144 120.549 -3.405 17952 4798 1 10 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.434 -0.338 17952 4799 1 10 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.004 1.213 17952 4800 1 10 . 1 1 75 75 LEU CB C 75 42.788 42.788 43.487 -0.699 17952 4801 1 10 . 1 1 75 75 LEU H H 75 7.903 7.903 7.770 0.133 17952 4802 1 10 . 1 1 76 76 ARG N N 76 113.888 113.888 119.293 -5.405 17952 4803 1 10 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.217 0.206 17952 4804 1 10 . 1 1 76 76 ARG CA C 76 54.487 54.487 53.966 0.521 17952 4805 1 10 . 1 1 76 76 ARG CB C 76 31.867 31.867 28.782 3.085 17952 4806 1 10 . 1 1 76 76 ARG H H 76 6.736 6.736 7.968 -1.232 17952 4807 1 10 . 1 1 77 77 GLN N N 77 120.009 120.009 117.796 2.213 17952 4808 1 10 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.057 2.199 17952 4809 1 10 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.840 0.747 17952 4810 1 10 . 1 1 77 77 GLN H H 77 7.273 7.273 7.420 -0.147 17952 4811 1 10 . 1 1 78 78 HIS N N 78 114.954 114.954 116.430 -1.476 17952 4812 1 10 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.563 -0.118 17952 4813 1 10 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.921 0.879 17952 4814 1 10 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.012 -0.610 17952 4815 1 10 . 1 1 78 78 HIS H H 78 8.389 8.389 8.089 0.300 17952 4816 1 10 . 1 1 79 79 GLU N N 79 118.231 118.231 117.349 0.882 17952 4817 1 10 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.502 -0.095 17952 4818 1 10 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.878 -1.486 17952 4819 1 10 . 1 1 79 79 GLU CB C 79 31.296 31.296 31.073 0.223 17952 4820 1 10 . 1 1 79 79 GLU H H 79 7.717 7.717 7.990 -0.273 17952 4821 1 10 . 1 1 80 80 LEU N N 80 119.751 119.751 117.531 2.220 17952 4822 1 10 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.970 -0.416 17952 4823 1 10 . 1 1 80 80 LEU H H 80 6.859 6.859 7.392 -0.533 17952 4824 1 10 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.620 -0.049 17952 4825 1 10 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.458 -0.733 17952 4826 1 10 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.538 -0.206 17952 4827 1 10 . 1 1 82 82 ALA N N 82 122.525 122.525 126.186 -3.661 17952 4828 1 10 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.412 -0.654 17952 4829 1 10 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.880 -1.972 17952 4830 1 10 . 1 1 82 82 ALA H H 82 8.425 8.425 8.556 -0.131 17952 4831 1 10 . 1 1 83 83 MET N N 83 122.963 122.963 120.269 2.694 17952 4832 1 10 . 1 1 83 83 MET HA H 83 4.387 4.387 4.582 -0.195 17952 4833 1 10 . 1 1 83 83 MET CA C 83 54.002 54.002 54.029 -0.027 17952 4834 1 10 . 1 1 83 83 MET CB C 83 35.655 35.655 36.535 -0.880 17952 4835 1 10 . 1 1 83 83 MET H H 83 7.851 7.851 8.100 -0.249 17952 4836 1 10 . 1 1 84 84 ASP N N 84 121.733 121.733 120.669 1.064 17952 4837 1 10 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.557 0.195 17952 4838 1 10 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.330 0.308 17952 4839 1 10 . 1 1 84 84 ASP CB C 84 41.990 41.990 40.007 1.983 17952 4840 1 10 . 1 1 84 84 ASP H H 84 8.393 8.393 8.466 -0.073 17952 4841 1 10 . 1 1 85 85 PHE N N 85 121.368 121.368 122.973 -1.605 17952 4842 1 10 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.972 0.984 17952 4843 1 10 . 1 1 85 85 PHE CB C 85 42.080 42.080 39.055 3.025 17952 4844 1 10 . 1 1 85 85 PHE H H 85 8.849 8.849 8.040 0.809 17952 4845 1 10 . 1 1 86 86 VAL N N 86 120.431 120.431 125.275 -4.844 17952 4846 1 10 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.152 0.464 17952 4847 1 10 . 1 1 86 86 VAL CA C 86 60.874 60.874 62.070 -1.196 17952 4848 1 10 . 1 1 86 86 VAL CB C 86 34.882 34.882 32.932 1.950 17952 4849 1 10 . 1 1 86 86 VAL H H 86 9.407 9.407 8.754 0.653 17952 4850 1 10 . 1 1 87 87 VAL N N 87 127.860 127.860 129.743 -1.883 17952 4851 1 10 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.473 0.144 17952 4852 1 10 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.984 -0.564 17952 4853 1 10 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.656 -0.534 17952 4854 1 10 . 1 1 87 87 VAL H H 87 8.843 8.843 8.054 0.789 17952 4855 1 10 . 1 1 88 88 VAL N N 88 128.150 128.150 128.882 -0.732 17952 4856 1 10 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.698 -0.043 17952 4857 1 10 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.682 0.583 17952 4858 1 10 . 1 1 88 88 VAL CB C 88 33.439 33.439 33.557 -0.118 17952 4859 1 10 . 1 1 88 88 VAL H H 88 9.538 9.538 9.276 0.262 17952 4860 1 10 . 1 1 89 89 ALA N N 89 128.337 128.337 131.420 -3.083 17952 4861 1 10 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.749 -0.145 17952 4862 1 10 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.521 0.350 17952 4863 1 10 . 1 1 89 89 ALA H H 89 8.170 8.170 8.790 -0.620 17952 4864 1 10 . 1 1 90 90 LYS N N 90 123.110 123.110 125.172 -2.062 17952 4865 1 10 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.627 -0.150 17952 4866 1 10 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.153 0.958 17952 4867 1 10 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.588 -1.133 17952 4868 1 10 . 1 1 90 90 LYS H H 90 8.231 8.231 8.579 -0.348 17952 4869 1 10 . 1 1 91 91 LYS N N 91 119.291 119.291 120.407 -1.116 17952 4870 1 10 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.658 -0.610 17952 4871 1 10 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.191 1.980 17952 4872 1 10 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.229 -0.010 17952 4873 1 10 . 1 1 91 91 LYS H H 91 8.162 8.162 8.586 -0.424 17952 4874 1 10 . 1 1 92 92 GLY N N 92 112.991 112.991 112.519 0.472 17952 4875 1 10 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.305 -0.169 17952 4876 1 10 . 1 1 92 92 GLY H H 92 8.783 8.783 8.500 0.283 17952 4877 1 10 . 1 1 93 93 VAL N N 93 122.937 122.937 122.408 0.529 17952 4878 1 10 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.869 -0.139 17952 4879 1 10 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.124 -0.213 17952 4880 1 10 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.196 -1.198 17952 4881 1 10 . 1 1 93 93 VAL H H 93 8.363 8.363 7.463 0.900 17952 4882 1 10 . 1 1 94 94 ALA N N 94 119.882 119.882 118.485 1.397 17952 4883 1 10 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.196 -0.100 17952 4884 1 10 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.459 0.210 17952 4885 1 10 . 1 1 94 94 ALA H H 94 7.960 7.960 8.111 -0.151 17952 4886 1 10 . 1 1 95 95 ASP N N 95 114.705 114.705 119.085 -4.380 17952 4887 1 10 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.702 -0.210 17952 4888 1 10 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.740 1.121 17952 4889 1 10 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.192 -0.309 17952 4890 1 10 . 1 1 95 95 ASP H H 95 7.360 7.360 7.735 -0.375 17952 4891 1 10 . 1 1 96 96 LEU N N 96 120.424 120.424 120.646 -0.222 17952 4892 1 10 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.382 0.076 17952 4893 1 10 . 1 1 96 96 LEU CA C 96 54.357 54.357 54.344 0.013 17952 4894 1 10 . 1 1 96 96 LEU CB C 96 42.433 42.433 42.800 -0.367 17952 4895 1 10 . 1 1 96 96 LEU H H 96 7.389 7.389 7.261 0.128 17952 4896 1 10 . 1 1 97 97 ASP N N 97 123.018 123.018 121.064 1.954 17952 4897 1 10 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.538 -0.008 17952 4898 1 10 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.811 -0.976 17952 4899 1 10 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.594 -2.092 17952 4900 1 10 . 1 1 97 97 ASP H H 97 8.473 8.473 8.386 0.087 17952 4901 1 10 . 1 1 98 98 ASN N N 98 117.692 117.692 123.320 -5.628 17952 4902 1 10 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.370 -0.234 17952 4903 1 10 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.307 0.558 17952 4904 1 10 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.875 -1.935 17952 4905 1 10 . 1 1 98 98 ASN H H 98 8.651 8.651 8.846 -0.195 17952 4906 1 10 . 1 1 99 99 ARG N N 99 120.819 120.819 119.956 0.863 17952 4907 1 10 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.126 -0.073 17952 4908 1 10 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.992 0.506 17952 4909 1 10 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.281 -0.964 17952 4910 1 10 . 1 1 99 99 ARG H H 99 8.191 8.191 7.814 0.377 17952 4911 1 10 . 1 1 100 100 ALA N N 100 122.928 122.928 122.015 0.913 17952 4912 1 10 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.407 -0.256 17952 4913 1 10 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.411 0.638 17952 4914 1 10 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.256 0.741 17952 4915 1 10 . 1 1 100 100 ALA H H 100 8.524 8.524 7.859 0.665 17952 4916 1 10 . 1 1 101 101 LEU N N 101 120.795 120.795 118.364 2.431 17952 4917 1 10 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.908 0.190 17952 4918 1 10 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.760 0.476 17952 4919 1 10 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.458 0.051 17952 4920 1 10 . 1 1 101 101 LEU H H 101 8.961 8.961 7.884 1.077 17952 4921 1 10 . 1 1 102 102 SER N N 102 115.314 115.314 113.952 1.362 17952 4922 1 10 . 1 1 102 102 SER HA H 102 4.123 4.123 4.190 -0.067 17952 4923 1 10 . 1 1 102 102 SER CB C 102 62.761 62.761 62.892 -0.131 17952 4924 1 10 . 1 1 102 102 SER H H 102 8.459 8.459 7.800 0.659 17952 4925 1 10 . 1 1 103 103 GLU N N 103 122.468 122.468 120.773 1.695 17952 4926 1 10 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.122 0.008 17952 4927 1 10 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.690 0.778 17952 4928 1 10 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.554 -0.026 17952 4929 1 10 . 1 1 103 103 GLU H H 103 8.492 8.492 7.595 0.897 17952 4930 1 10 . 1 1 104 104 ALA N N 104 123.159 123.159 122.349 0.810 17952 4931 1 10 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.326 -0.236 17952 4932 1 10 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.356 0.886 17952 4933 1 10 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.513 -0.686 17952 4934 1 10 . 1 1 104 104 ALA H H 104 8.074 8.074 7.777 0.297 17952 4935 1 10 . 1 1 105 105 LEU N N 105 116.602 116.602 120.654 -4.052 17952 4936 1 10 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.903 -0.351 17952 4937 1 10 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.184 0.220 17952 4938 1 10 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.064 -0.445 17952 4939 1 10 . 1 1 105 105 LEU H H 105 8.318 8.318 7.759 0.559 17952 4940 1 10 . 1 1 106 106 GLU N N 106 117.564 117.564 118.116 -0.552 17952 4941 1 10 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.038 0.194 17952 4942 1 10 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.455 0.961 17952 4943 1 10 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.921 0.004 17952 4944 1 10 . 1 1 106 106 GLU H H 106 8.009 8.009 7.993 0.016 17952 4945 1 10 . 1 1 107 107 LYS N N 107 117.286 117.286 120.020 -2.734 17952 4946 1 10 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.120 -0.146 17952 4947 1 10 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.447 1.460 17952 4948 1 10 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.958 0.423 17952 4949 1 10 . 1 1 107 107 LYS H H 107 7.787 7.787 7.499 0.288 17952 4950 1 10 . 1 1 108 108 LEU N N 108 120.504 120.504 120.472 0.032 17952 4951 1 10 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.087 -0.108 17952 4952 1 10 . 1 1 108 108 LEU CA C 108 57.817 57.817 58.598 -0.781 17952 4953 1 10 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.612 0.688 17952 4954 1 10 . 1 1 108 108 LEU H H 108 7.875 7.875 8.097 -0.222 17952 4955 1 10 . 1 1 109 109 TRP N N 109 120.547 120.547 121.047 -0.500 17952 4956 1 10 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.628 -0.741 17952 4957 1 10 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.730 1.033 17952 4958 1 10 . 1 1 109 109 TRP H H 109 9.048 9.048 8.499 0.549 17952 4959 1 10 . 1 1 110 110 ARG N N 110 117.678 117.678 118.442 -0.764 17952 4960 1 10 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.695 0.379 17952 4961 1 10 . 1 1 110 110 ARG CA C 110 60.243 60.243 60.094 0.149 17952 4962 1 10 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.872 -0.231 17952 4963 1 10 . 1 1 110 110 ARG H H 110 8.425 8.425 8.640 -0.215 17952 4964 1 10 . 1 1 111 111 ARG N N 111 121.156 121.156 118.825 2.331 17952 4965 1 10 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.022 0.153 17952 4966 1 10 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.688 0.380 17952 4967 1 10 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.682 -0.612 17952 4968 1 10 . 1 1 111 111 ARG H H 111 8.100 8.100 8.248 -0.148 17952 4969 1 10 . 1 1 112 112 HIS N N 112 118.118 118.118 118.950 -0.832 17952 4970 1 10 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.178 0.125 17952 4971 1 10 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.156 2.379 17952 4972 1 10 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.259 1.658 17952 4973 1 10 . 1 1 112 112 HIS H H 112 8.250 8.250 7.974 0.276 17952 4974 1 10 . 1 1 113 113 CYS N N 113 117.579 117.579 118.183 -0.604 17952 4975 1 10 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.562 0.702 17952 4976 1 10 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.638 2.498 17952 4977 1 10 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.148 -0.363 17952 4978 1 10 . 1 1 113 113 CYS H H 113 8.181 8.181 8.393 -0.212 17952 4979 1 10 . 1 1 114 114 ARG N N 114 120.172 120.172 118.582 1.590 17952 4980 1 10 . 1 1 114 114 ARG HA H 114 4.147 4.147 3.981 0.166 17952 4981 1 10 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.330 0.720 17952 4982 1 10 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.449 0.369 17952 4983 1 10 . 1 1 114 114 ARG H H 114 7.870 7.870 7.520 0.350 17952 4984 1 10 . 1 1 115 115 LEU N N 115 120.720 120.720 120.750 -0.030 17952 4985 1 10 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.108 0.009 17952 4986 1 10 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.313 0.049 17952 4987 1 10 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.685 0.217 17952 4988 1 10 . 1 1 115 115 LEU H H 115 8.690 8.690 7.666 1.024 17952 4989 1 10 . 1 1 116 116 ALA N N 116 119.118 119.118 120.910 -1.792 17952 4990 1 10 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.061 0.306 17952 4991 1 10 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.158 0.930 17952 4992 1 10 . 1 1 116 116 ALA H H 116 7.751 7.751 7.766 -0.015 17952 4993 1 10 . 1 1 117 117 ARG N N 117 117.010 117.010 117.126 -0.116 17952 4994 1 10 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.347 0.041 17952 4995 1 10 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.404 1.642 17952 4996 1 10 . 1 1 117 117 ARG CB C 117 30.858 30.858 29.852 1.006 17952 4997 1 10 . 1 1 117 117 ARG H H 117 7.602 7.602 7.373 0.229 17952 4998 1 10 . 1 1 118 118 GLY N N 118 108.836 108.836 109.253 -0.417 17952 4999 1 10 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.431 0.135 17952 5000 1 10 . 1 1 118 118 GLY H H 118 8.087 8.087 7.851 0.236 17952 5001 1 11 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.572 0.619 17952 5002 1 11 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.314 -0.348 17952 5003 1 11 . 1 1 4 4 LEU N N 4 125.667 125.667 129.939 -4.272 17952 5004 1 11 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.340 0.047 17952 5005 1 11 . 1 1 4 4 LEU CA C 4 54.667 54.667 53.613 1.054 17952 5006 1 11 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.391 1.227 17952 5007 1 11 . 1 1 4 4 LEU H H 4 8.498 8.498 8.877 -0.379 17952 5008 1 11 . 1 1 5 5 ALA N N 5 126.419 126.419 121.619 4.800 17952 5009 1 11 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.249 0.122 17952 5010 1 11 . 1 1 5 5 ALA CB C 5 19.337 19.337 20.485 -1.148 17952 5011 1 11 . 1 1 5 5 ALA H H 5 8.435 8.435 7.710 0.725 17952 5012 1 11 . 1 1 6 6 PHE N N 6 124.718 124.718 119.308 5.410 17952 5013 1 11 . 1 1 6 6 PHE H H 6 8.714 8.714 7.445 1.269 17952 5014 1 11 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.384 -0.148 17952 5015 1 11 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.328 1.408 17952 5016 1 11 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.657 -0.255 17952 5017 1 11 . 1 1 8 8 ARG N N 8 124.351 124.351 121.892 2.459 17952 5018 1 11 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.444 -0.660 17952 5019 1 11 . 1 1 8 8 ARG CA C 8 59.972 59.972 56.703 3.268 17952 5020 1 11 . 1 1 8 8 ARG CB C 8 30.256 30.256 28.930 1.326 17952 5021 1 11 . 1 1 8 8 ARG H H 8 8.650 8.650 8.525 0.125 17952 5022 1 11 . 1 1 9 9 GLU N N 9 117.015 117.015 124.816 -7.801 17952 5023 1 11 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.353 -0.112 17952 5024 1 11 . 1 1 9 9 GLU CA C 9 58.536 58.536 56.820 1.716 17952 5025 1 11 . 1 1 9 9 GLU CB C 9 28.286 28.286 30.015 -1.729 17952 5026 1 11 . 1 1 9 9 GLU H H 9 9.522 9.522 8.501 1.021 17952 5027 1 11 . 1 1 10 10 LEU N N 10 116.269 116.269 120.912 -4.643 17952 5028 1 11 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.410 0.272 17952 5029 1 11 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.871 -1.548 17952 5030 1 11 . 1 1 10 10 LEU CB C 10 42.305 42.305 43.037 -0.732 17952 5031 1 11 . 1 1 10 10 LEU H H 10 7.285 7.285 8.478 -1.193 17952 5032 1 11 . 1 1 11 11 ARG N N 11 116.982 116.982 118.937 -1.955 17952 5033 1 11 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.476 0.569 17952 5034 1 11 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.329 0.342 17952 5035 1 11 . 1 1 11 11 ARG CB C 11 32.827 32.827 32.620 0.207 17952 5036 1 11 . 1 1 11 11 ARG H H 11 7.618 7.618 7.511 0.107 17952 5037 1 11 . 1 1 12 12 LEU N N 12 119.127 119.127 119.234 -0.107 17952 5038 1 11 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.713 -0.384 17952 5039 1 11 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.937 0.178 17952 5040 1 11 . 1 1 12 12 LEU CB C 12 41.683 41.683 43.309 -1.627 17952 5041 1 11 . 1 1 12 12 LEU H H 12 7.289 7.289 8.261 -0.972 17952 5042 1 11 . 1 1 13 13 LEU N N 13 123.181 123.181 122.831 0.350 17952 5043 1 11 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.763 -0.016 17952 5044 1 11 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.725 1.465 17952 5045 1 11 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.988 4.246 17952 5046 1 11 . 1 1 13 13 LEU H H 13 8.816 8.816 8.379 0.437 17952 5047 1 11 . 1 1 14 14 THR N N 14 111.810 111.810 117.773 -5.963 17952 5048 1 11 . 1 1 14 14 THR HA H 14 5.104 5.104 4.802 0.302 17952 5049 1 11 . 1 1 14 14 THR H H 14 8.321 8.321 8.619 -0.298 17952 5050 1 11 . 1 1 16 16 SER HA H 16 4.282 4.282 4.611 -0.329 17952 5051 1 11 . 1 1 16 16 SER CB C 16 62.228 62.228 64.125 -1.897 17952 5052 1 11 . 1 1 17 17 GLN N N 17 122.336 122.336 129.139 -6.803 17952 5053 1 11 . 1 1 17 17 GLN HA H 17 4.078 4.078 3.971 0.107 17952 5054 1 11 . 1 1 17 17 GLN CA C 17 58.122 58.122 59.473 -1.351 17952 5055 1 11 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.355 0.748 17952 5056 1 11 . 1 1 17 17 GLN H H 17 7.967 7.967 8.857 -0.890 17952 5057 1 11 . 1 1 18 18 PHE N N 18 119.658 119.658 115.623 4.035 17952 5058 1 11 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.325 0.315 17952 5059 1 11 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.491 -0.001 17952 5060 1 11 . 1 1 18 18 PHE H H 18 7.733 7.733 8.494 -0.761 17952 5061 1 11 . 1 1 19 19 THR N N 19 116.141 116.141 115.997 0.144 17952 5062 1 11 . 1 1 19 19 THR HA H 19 3.911 3.911 4.149 -0.238 17952 5063 1 11 . 1 1 19 19 THR CA C 19 67.058 67.058 65.702 1.356 17952 5064 1 11 . 1 1 19 19 THR CB C 19 68.790 68.790 68.863 -0.073 17952 5065 1 11 . 1 1 19 19 THR H H 19 8.622 8.622 7.717 0.905 17952 5066 1 11 . 1 1 20 20 PHE N N 20 119.904 119.904 121.851 -1.947 17952 5067 1 11 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.553 -0.404 17952 5068 1 11 . 1 1 20 20 PHE CB C 20 39.260 39.260 40.210 -0.950 17952 5069 1 11 . 1 1 20 20 PHE H H 20 7.728 7.728 7.842 -0.114 17952 5070 1 11 . 1 1 21 21 VAL N N 21 117.896 117.896 120.301 -2.405 17952 5071 1 11 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.793 -0.711 17952 5072 1 11 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.862 1.474 17952 5073 1 11 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.490 0.099 17952 5074 1 11 . 1 1 21 21 VAL H H 21 6.861 6.861 8.707 -1.846 17952 5075 1 11 . 1 1 22 22 PHE N N 22 114.352 114.352 119.153 -4.801 17952 5076 1 11 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.339 -0.328 17952 5077 1 11 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.321 -0.736 17952 5078 1 11 . 1 1 22 22 PHE H H 22 7.653 7.653 7.986 -0.333 17952 5079 1 11 . 1 1 23 23 GLN N N 23 116.245 116.245 117.684 -1.439 17952 5080 1 11 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.022 0.011 17952 5081 1 11 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.806 0.609 17952 5082 1 11 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.102 -0.152 17952 5083 1 11 . 1 1 23 23 GLN H H 23 7.928 7.928 7.571 0.357 17952 5084 1 11 . 1 1 24 24 GLN N N 24 114.087 114.087 116.395 -2.308 17952 5085 1 11 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.682 -0.257 17952 5086 1 11 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.625 1.066 17952 5087 1 11 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.525 -1.068 17952 5088 1 11 . 1 1 24 24 GLN H H 24 6.731 6.731 7.983 -1.252 17952 5089 1 11 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.795 0.233 17952 5090 1 11 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.467 1.712 17952 5091 1 11 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.297 -0.721 17952 5092 1 11 . 1 1 26 26 GLN N N 26 120.107 120.107 119.156 0.951 17952 5093 1 11 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.852 0.427 17952 5094 1 11 . 1 1 26 26 GLN CB C 26 30.556 30.556 28.728 1.828 17952 5095 1 11 . 1 1 26 26 GLN H H 26 9.622 9.622 8.714 0.908 17952 5096 1 11 . 1 1 27 27 ARG N N 27 125.712 125.712 128.557 -2.845 17952 5097 1 11 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.339 0.881 17952 5098 1 11 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.411 0.714 17952 5099 1 11 . 1 1 27 27 ARG CB C 27 34.641 34.641 28.912 5.729 17952 5100 1 11 . 1 1 27 27 ARG H H 27 9.068 9.068 8.562 0.506 17952 5101 1 11 . 1 1 28 28 ALA N N 28 123.402 123.402 129.585 -6.183 17952 5102 1 11 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.615 -0.101 17952 5103 1 11 . 1 1 28 28 ALA CB C 28 21.919 21.919 20.502 1.417 17952 5104 1 11 . 1 1 28 28 ALA H H 28 8.102 8.102 7.988 0.114 17952 5105 1 11 . 1 1 29 29 GLY N N 29 109.532 109.532 110.663 -1.131 17952 5106 1 11 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.650 1.234 17952 5107 1 11 . 1 1 29 29 GLY H H 29 8.572 8.572 8.148 0.424 17952 5108 1 11 . 1 1 30 30 THR N N 30 113.168 113.168 110.971 2.197 17952 5109 1 11 . 1 1 30 30 THR HA H 30 4.953 4.953 5.022 -0.069 17952 5110 1 11 . 1 1 30 30 THR H H 30 9.199 9.199 7.989 1.210 17952 5111 1 11 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.612 -0.315 17952 5112 1 11 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.329 1.182 17952 5113 1 11 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.201 -1.218 17952 5114 1 11 . 1 1 32 32 GLN N N 32 110.281 110.281 116.713 -6.432 17952 5115 1 11 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.324 -0.129 17952 5116 1 11 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.188 1.290 17952 5117 1 11 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.753 -0.757 17952 5118 1 11 . 1 1 32 32 GLN H H 32 7.403 7.403 8.142 -0.739 17952 5119 1 11 . 1 1 33 33 ILE N N 33 118.254 118.254 119.068 -0.814 17952 5120 1 11 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.664 0.576 17952 5121 1 11 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.604 3.187 17952 5122 1 11 . 1 1 33 33 ILE H H 33 7.353 7.353 7.754 -0.401 17952 5123 1 11 . 1 1 34 34 THR N N 34 122.650 122.650 126.660 -4.010 17952 5124 1 11 . 1 1 34 34 THR HA H 34 4.946 4.946 4.765 0.181 17952 5125 1 11 . 1 1 34 34 THR CA C 34 61.792 61.792 61.753 0.039 17952 5126 1 11 . 1 1 34 34 THR CB C 34 71.752 71.752 69.391 2.361 17952 5127 1 11 . 1 1 34 34 THR H H 34 8.787 8.787 9.066 -0.279 17952 5128 1 11 . 1 1 35 35 ILE N N 35 123.778 123.778 129.187 -5.409 17952 5129 1 11 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.300 0.861 17952 5130 1 11 . 1 1 35 35 ILE CA C 35 61.713 61.713 61.232 0.481 17952 5131 1 11 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.966 2.077 17952 5132 1 11 . 1 1 35 35 ILE H H 35 9.109 9.109 9.005 0.104 17952 5133 1 11 . 1 1 36 36 LEU N N 36 132.558 132.558 129.169 3.389 17952 5134 1 11 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.106 0.528 17952 5135 1 11 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.429 -0.185 17952 5136 1 11 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.895 1.603 17952 5137 1 11 . 1 1 36 36 LEU H H 36 9.500 9.500 9.074 0.426 17952 5138 1 11 . 1 1 37 37 GLY N N 37 106.940 106.940 110.879 -3.939 17952 5139 1 11 . 1 1 37 37 GLY CA C 37 45.258 45.258 43.992 1.266 17952 5140 1 11 . 1 1 37 37 GLY H H 37 9.058 9.058 8.146 0.912 17952 5141 1 11 . 1 1 38 38 ARG N N 38 121.378 121.378 122.493 -1.115 17952 5142 1 11 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.826 -0.174 17952 5143 1 11 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.623 0.662 17952 5144 1 11 . 1 1 38 38 ARG CB C 38 35.176 35.176 34.527 0.649 17952 5145 1 11 . 1 1 38 38 ARG H H 38 8.384 8.384 8.855 -0.471 17952 5146 1 11 . 1 1 39 39 LEU N N 39 129.596 129.596 123.552 6.044 17952 5147 1 11 . 1 1 39 39 LEU CB C 39 42.472 42.472 42.365 0.106 17952 5148 1 11 . 1 1 39 39 LEU H H 39 9.030 9.030 8.395 0.635 17952 5149 1 11 . 1 1 40 40 ASN N N 40 119.921 119.921 120.512 -0.591 17952 5150 1 11 . 1 1 40 40 ASN CA C 40 51.546 51.546 51.744 -0.198 17952 5151 1 11 . 1 1 40 40 ASN CB C 40 41.088 41.088 42.137 -1.049 17952 5152 1 11 . 1 1 40 40 ASN H H 40 8.186 8.186 8.152 0.034 17952 5153 1 11 . 1 1 41 41 SER N N 41 112.600 112.600 116.760 -4.160 17952 5154 1 11 . 1 1 41 41 SER HA H 41 4.484 4.484 4.137 0.347 17952 5155 1 11 . 1 1 41 41 SER CB C 41 62.949 62.949 63.177 -0.228 17952 5156 1 11 . 1 1 41 41 SER H H 41 8.646 8.646 8.602 0.044 17952 5157 1 11 . 1 1 42 42 LEU N N 42 120.612 120.612 123.114 -2.502 17952 5158 1 11 . 1 1 42 42 LEU HA H 42 4.334 4.334 3.952 0.382 17952 5159 1 11 . 1 1 42 42 LEU CA C 42 54.828 54.828 55.884 -1.056 17952 5160 1 11 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.194 1.519 17952 5161 1 11 . 1 1 42 42 LEU H H 42 8.538 8.538 8.334 0.204 17952 5162 1 11 . 1 1 43 43 GLY N N 43 105.922 105.922 106.581 -0.659 17952 5163 1 11 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.870 -0.599 17952 5164 1 11 . 1 1 43 43 GLY H H 43 8.317 8.317 8.162 0.155 17952 5165 1 11 . 1 1 44 44 HIS N N 44 114.144 114.144 118.902 -4.758 17952 5166 1 11 . 1 1 44 44 HIS HA H 44 5.065 5.065 5.000 0.065 17952 5167 1 11 . 1 1 44 44 HIS H H 44 7.145 7.145 8.138 -0.993 17952 5168 1 11 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.270 1.133 17952 5169 1 11 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.371 -0.810 17952 5170 1 11 . 1 1 45 45 PRO CB C 45 33.097 33.097 30.683 2.414 17952 5171 1 11 . 1 1 46 46 ARG N N 46 116.294 116.294 125.515 -9.221 17952 5172 1 11 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.350 0.806 17952 5173 1 11 . 1 1 46 46 ARG CA C 46 56.154 56.154 53.549 2.605 17952 5174 1 11 . 1 1 46 46 ARG CB C 46 37.970 37.970 29.088 8.882 17952 5175 1 11 . 1 1 46 46 ARG H H 46 8.919 8.919 8.035 0.884 17952 5176 1 11 . 1 1 47 47 ILE N N 47 117.069 117.069 125.794 -8.725 17952 5177 1 11 . 1 1 47 47 ILE HA H 47 5.684 5.684 3.135 2.549 17952 5178 1 11 . 1 1 47 47 ILE CA C 47 58.820 58.820 61.334 -2.514 17952 5179 1 11 . 1 1 47 47 ILE CB C 47 41.712 41.712 37.976 3.736 17952 5180 1 11 . 1 1 47 47 ILE H H 47 9.106 9.106 7.735 1.371 17952 5181 1 11 . 1 1 48 48 GLY N N 48 116.903 116.903 118.399 -1.496 17952 5182 1 11 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.063 0.466 17952 5183 1 11 . 1 1 48 48 GLY H H 48 9.276 9.276 8.486 0.790 17952 5184 1 11 . 1 1 49 49 LEU N N 49 123.729 123.729 127.322 -3.593 17952 5185 1 11 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.831 0.610 17952 5186 1 11 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.572 -0.210 17952 5187 1 11 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.605 2.940 17952 5188 1 11 . 1 1 49 49 LEU H H 49 8.957 8.957 7.610 1.347 17952 5189 1 11 . 1 1 50 50 THR N N 50 120.870 120.870 125.274 -4.404 17952 5190 1 11 . 1 1 50 50 THR HA H 50 4.616 4.616 4.600 0.016 17952 5191 1 11 . 1 1 50 50 THR H H 50 9.419 9.419 9.076 0.343 17952 5192 1 11 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.328 0.028 17952 5193 1 11 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.124 -0.014 17952 5194 1 11 . 1 1 51 51 VAL CB C 51 32.291 32.291 34.401 -2.110 17952 5195 1 11 . 1 1 52 52 ALA N N 52 129.415 129.415 128.637 0.778 17952 5196 1 11 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.930 -2.618 17952 5197 1 11 . 1 1 52 52 ALA H H 52 9.046 9.046 8.654 0.392 17952 5198 1 11 . 1 1 53 53 LYS N N 53 125.023 125.023 117.385 7.638 17952 5199 1 11 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.692 -0.603 17952 5200 1 11 . 1 1 53 53 LYS CA C 53 58.735 58.735 56.989 1.746 17952 5201 1 11 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.297 -0.201 17952 5202 1 11 . 1 1 53 53 LYS H H 53 8.811 8.811 8.446 0.365 17952 5203 1 11 . 1 1 54 54 LYS N N 54 114.126 114.126 118.165 -4.039 17952 5204 1 11 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.368 -0.327 17952 5205 1 11 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.868 0.085 17952 5206 1 11 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.309 -0.379 17952 5207 1 11 . 1 1 54 54 LYS H H 54 8.073 8.073 8.093 -0.020 17952 5208 1 11 . 1 1 55 55 ASN N N 55 115.234 115.234 116.132 -0.898 17952 5209 1 11 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.761 0.097 17952 5210 1 11 . 1 1 55 55 ASN CA C 55 53.777 53.777 53.753 0.024 17952 5211 1 11 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.840 -0.311 17952 5212 1 11 . 1 1 55 55 ASN H H 55 7.434 7.434 8.171 -0.737 17952 5213 1 11 . 1 1 56 56 VAL N N 56 121.000 121.000 121.750 -0.750 17952 5214 1 11 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.281 -0.108 17952 5215 1 11 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.284 0.477 17952 5216 1 11 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.535 0.498 17952 5217 1 11 . 1 1 56 56 VAL H H 56 7.764 7.764 7.596 0.168 17952 5218 1 11 . 1 1 57 57 ARG N N 57 125.781 125.781 128.261 -2.480 17952 5219 1 11 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.378 -0.178 17952 5220 1 11 . 1 1 57 57 ARG CA C 57 58.646 58.646 55.777 2.869 17952 5221 1 11 . 1 1 57 57 ARG CB C 57 31.004 31.004 29.154 1.850 17952 5222 1 11 . 1 1 57 57 ARG H H 57 8.441 8.441 8.699 -0.258 17952 5223 1 11 . 1 1 58 58 ARG N N 58 118.159 118.159 119.054 -0.895 17952 5224 1 11 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.460 0.134 17952 5225 1 11 . 1 1 58 58 ARG H H 58 8.250 8.250 7.617 0.633 17952 5226 1 11 . 1 1 60 60 HIS N N 60 116.957 116.957 116.411 0.546 17952 5227 1 11 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.405 0.030 17952 5228 1 11 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.223 0.382 17952 5229 1 11 . 1 1 60 60 HIS CB C 60 29.947 29.947 28.911 1.036 17952 5230 1 11 . 1 1 60 60 HIS H H 60 7.600 7.600 7.846 -0.246 17952 5231 1 11 . 1 1 61 61 GLU N N 61 119.542 119.542 120.252 -0.710 17952 5232 1 11 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.053 0.376 17952 5233 1 11 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.812 -2.184 17952 5234 1 11 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.478 1.327 17952 5235 1 11 . 1 1 61 61 GLU H H 61 6.702 6.702 9.112 -2.410 17952 5236 1 11 . 1 1 62 62 ARG N N 62 120.227 120.227 119.200 1.027 17952 5237 1 11 . 1 1 62 62 ARG HA H 62 3.733 3.733 3.962 -0.229 17952 5238 1 11 . 1 1 62 62 ARG CA C 62 61.531 61.531 60.073 1.458 17952 5239 1 11 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.168 -0.556 17952 5240 1 11 . 1 1 62 62 ARG H H 62 7.951 7.951 7.701 0.250 17952 5241 1 11 . 1 1 63 63 ASN N N 63 116.757 116.757 117.514 -0.757 17952 5242 1 11 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.543 -0.109 17952 5243 1 11 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.198 0.010 17952 5244 1 11 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.253 -0.428 17952 5245 1 11 . 1 1 63 63 ASN H H 63 8.365 8.365 7.706 0.659 17952 5246 1 11 . 1 1 64 64 ARG N N 64 123.093 123.093 120.800 2.293 17952 5247 1 11 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.067 -0.011 17952 5248 1 11 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.634 0.504 17952 5249 1 11 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.072 0.760 17952 5250 1 11 . 1 1 64 64 ARG H H 64 7.770 7.770 8.205 -0.435 17952 5251 1 11 . 1 1 65 65 ILE N N 65 117.911 117.911 119.792 -1.881 17952 5252 1 11 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.842 -0.317 17952 5253 1 11 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.103 1.612 17952 5254 1 11 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.631 1.014 17952 5255 1 11 . 1 1 65 65 ILE H H 65 8.121 8.121 7.942 0.179 17952 5256 1 11 . 1 1 66 66 LYS N N 66 122.635 122.635 120.823 1.812 17952 5257 1 11 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.155 -0.384 17952 5258 1 11 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.844 1.091 17952 5259 1 11 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.312 0.112 17952 5260 1 11 . 1 1 66 66 LYS H H 66 8.337 8.337 7.769 0.568 17952 5261 1 11 . 1 1 67 67 ARG N N 67 119.137 119.137 120.035 -0.898 17952 5262 1 11 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.074 -0.066 17952 5263 1 11 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.414 0.575 17952 5264 1 11 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.223 -0.188 17952 5265 1 11 . 1 1 67 67 ARG H H 67 8.257 8.257 8.361 -0.104 17952 5266 1 11 . 1 1 68 68 LEU N N 68 119.084 119.084 120.386 -1.302 17952 5267 1 11 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.080 0.028 17952 5268 1 11 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.433 -0.411 17952 5269 1 11 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.329 0.273 17952 5270 1 11 . 1 1 68 68 LEU H H 68 8.427 8.427 8.598 -0.171 17952 5271 1 11 . 1 1 69 69 THR N N 69 118.019 118.019 112.873 5.146 17952 5272 1 11 . 1 1 69 69 THR CA C 69 67.701 67.701 66.311 1.390 17952 5273 1 11 . 1 1 69 69 THR H H 69 8.433 8.433 8.081 0.352 17952 5274 1 11 . 1 1 70 70 ARG N N 70 122.713 122.713 121.821 0.892 17952 5275 1 11 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.410 2.000 17952 5276 1 11 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.382 -0.332 17952 5277 1 11 . 1 1 70 70 ARG H H 70 8.346 8.346 7.997 0.349 17952 5278 1 11 . 1 1 71 71 GLU N N 71 118.890 118.890 117.137 1.753 17952 5279 1 11 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.278 -0.012 17952 5280 1 11 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.284 1.197 17952 5281 1 11 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.610 -0.294 17952 5282 1 11 . 1 1 71 71 GLU H H 71 8.334 8.334 8.256 0.078 17952 5283 1 11 . 1 1 72 72 SER N N 72 114.922 114.922 114.935 -0.013 17952 5284 1 11 . 1 1 72 72 SER HA H 72 4.243 4.243 4.362 -0.119 17952 5285 1 11 . 1 1 72 72 SER CA C 72 61.292 61.292 61.230 0.062 17952 5286 1 11 . 1 1 72 72 SER CB C 72 63.065 63.065 63.800 -0.735 17952 5287 1 11 . 1 1 72 72 SER H H 72 8.205 8.205 7.562 0.643 17952 5288 1 11 . 1 1 73 73 PHE N N 73 122.665 122.665 120.140 2.525 17952 5289 1 11 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.165 -1.056 17952 5290 1 11 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.972 0.563 17952 5291 1 11 . 1 1 73 73 PHE H H 73 7.788 7.788 8.586 -0.798 17952 5292 1 11 . 1 1 74 74 ARG N N 74 119.417 119.417 119.803 -0.386 17952 5293 1 11 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.267 -0.370 17952 5294 1 11 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.991 0.210 17952 5295 1 11 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.362 -0.381 17952 5296 1 11 . 1 1 74 74 ARG H H 74 8.580 8.580 7.819 0.761 17952 5297 1 11 . 1 1 75 75 LEU N N 75 117.144 117.144 117.980 -0.836 17952 5298 1 11 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.353 -0.257 17952 5299 1 11 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.130 2.087 17952 5300 1 11 . 1 1 75 75 LEU CB C 75 42.788 42.788 41.293 1.495 17952 5301 1 11 . 1 1 75 75 LEU H H 75 7.903 7.903 7.491 0.412 17952 5302 1 11 . 1 1 76 76 ARG N N 76 113.888 113.888 117.267 -3.379 17952 5303 1 11 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.704 -0.281 17952 5304 1 11 . 1 1 76 76 ARG CA C 76 54.487 54.487 53.654 0.833 17952 5305 1 11 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.620 2.247 17952 5306 1 11 . 1 1 76 76 ARG H H 76 6.736 6.736 7.406 -0.670 17952 5307 1 11 . 1 1 77 77 GLN N N 77 120.009 120.009 119.617 0.392 17952 5308 1 11 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.803 1.453 17952 5309 1 11 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.237 0.351 17952 5310 1 11 . 1 1 77 77 GLN H H 77 7.273 7.273 7.626 -0.353 17952 5311 1 11 . 1 1 78 78 HIS N N 78 114.954 114.954 115.650 -0.696 17952 5312 1 11 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.443 0.002 17952 5313 1 11 . 1 1 78 78 HIS CA C 78 57.800 57.800 58.570 -0.770 17952 5314 1 11 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.098 -0.696 17952 5315 1 11 . 1 1 78 78 HIS H H 78 8.389 8.389 8.616 -0.227 17952 5316 1 11 . 1 1 79 79 GLU N N 79 118.231 118.231 118.184 0.047 17952 5317 1 11 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.218 0.189 17952 5318 1 11 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.572 -1.180 17952 5319 1 11 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.564 0.732 17952 5320 1 11 . 1 1 79 79 GLU H H 79 7.717 7.717 7.799 -0.082 17952 5321 1 11 . 1 1 80 80 LEU N N 80 119.751 119.751 123.614 -3.863 17952 5322 1 11 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.760 -0.206 17952 5323 1 11 . 1 1 80 80 LEU H H 80 6.859 6.859 8.111 -1.252 17952 5324 1 11 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.385 0.186 17952 5325 1 11 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.994 -1.269 17952 5326 1 11 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.178 0.154 17952 5327 1 11 . 1 1 82 82 ALA N N 82 122.525 122.525 127.232 -4.707 17952 5328 1 11 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.275 -0.517 17952 5329 1 11 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.552 -2.644 17952 5330 1 11 . 1 1 82 82 ALA H H 82 8.425 8.425 8.447 -0.022 17952 5331 1 11 . 1 1 83 83 MET N N 83 122.963 122.963 118.566 4.397 17952 5332 1 11 . 1 1 83 83 MET HA H 83 4.387 4.387 4.878 -0.491 17952 5333 1 11 . 1 1 83 83 MET CA C 83 54.002 54.002 54.708 -0.706 17952 5334 1 11 . 1 1 83 83 MET CB C 83 35.655 35.655 36.394 -0.739 17952 5335 1 11 . 1 1 83 83 MET H H 83 7.851 7.851 7.851 0.000 17952 5336 1 11 . 1 1 84 84 ASP N N 84 121.733 121.733 121.245 0.488 17952 5337 1 11 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.946 -0.194 17952 5338 1 11 . 1 1 84 84 ASP CA C 84 53.638 53.638 54.949 -1.311 17952 5339 1 11 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.839 -0.849 17952 5340 1 11 . 1 1 84 84 ASP H H 84 8.393 8.393 8.455 -0.062 17952 5341 1 11 . 1 1 85 85 PHE N N 85 121.368 121.368 117.501 3.867 17952 5342 1 11 . 1 1 85 85 PHE HA H 85 5.956 5.956 5.237 0.719 17952 5343 1 11 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.088 -0.008 17952 5344 1 11 . 1 1 85 85 PHE H H 85 8.849 8.849 7.557 1.292 17952 5345 1 11 . 1 1 86 86 VAL N N 86 120.431 120.431 120.420 0.011 17952 5346 1 11 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.614 0.002 17952 5347 1 11 . 1 1 86 86 VAL CA C 86 60.874 60.874 59.611 1.263 17952 5348 1 11 . 1 1 86 86 VAL CB C 86 34.882 34.882 35.594 -0.712 17952 5349 1 11 . 1 1 86 86 VAL H H 86 9.407 9.407 9.098 0.309 17952 5350 1 11 . 1 1 87 87 VAL N N 87 127.860 127.860 129.538 -1.678 17952 5351 1 11 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.581 0.036 17952 5352 1 11 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.270 0.150 17952 5353 1 11 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.931 -0.809 17952 5354 1 11 . 1 1 87 87 VAL H H 87 8.843 8.843 8.921 -0.078 17952 5355 1 11 . 1 1 88 88 VAL N N 88 128.150 128.150 128.696 -0.546 17952 5356 1 11 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.259 0.396 17952 5357 1 11 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.944 0.321 17952 5358 1 11 . 1 1 88 88 VAL CB C 88 33.439 33.439 30.724 2.715 17952 5359 1 11 . 1 1 88 88 VAL H H 88 9.538 9.538 9.168 0.370 17952 5360 1 11 . 1 1 89 89 ALA N N 89 128.337 128.337 132.364 -4.027 17952 5361 1 11 . 1 1 89 89 ALA HA H 89 4.604 4.604 5.008 -0.404 17952 5362 1 11 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.357 0.514 17952 5363 1 11 . 1 1 89 89 ALA H H 89 8.170 8.170 8.094 0.076 17952 5364 1 11 . 1 1 90 90 LYS N N 90 123.110 123.110 124.434 -1.324 17952 5365 1 11 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.604 -0.127 17952 5366 1 11 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.954 0.156 17952 5367 1 11 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.134 -0.679 17952 5368 1 11 . 1 1 90 90 LYS H H 90 8.231 8.231 8.734 -0.503 17952 5369 1 11 . 1 1 91 91 LYS N N 91 119.291 119.291 120.804 -1.513 17952 5370 1 11 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.091 -0.043 17952 5371 1 11 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.148 2.023 17952 5372 1 11 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.143 1.075 17952 5373 1 11 . 1 1 91 91 LYS H H 91 8.162 8.162 8.589 -0.427 17952 5374 1 11 . 1 1 92 92 GLY N N 92 112.991 112.991 114.296 -1.305 17952 5375 1 11 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.136 -0.000 17952 5376 1 11 . 1 1 92 92 GLY H H 92 8.783 8.783 8.430 0.353 17952 5377 1 11 . 1 1 93 93 VAL N N 93 122.937 122.937 122.934 0.003 17952 5378 1 11 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.881 -0.151 17952 5379 1 11 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.439 -0.528 17952 5380 1 11 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.210 -1.212 17952 5381 1 11 . 1 1 93 93 VAL H H 93 8.363 8.363 7.527 0.836 17952 5382 1 11 . 1 1 94 94 ALA N N 94 119.882 119.882 120.189 -0.307 17952 5383 1 11 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.122 -0.026 17952 5384 1 11 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.470 0.199 17952 5385 1 11 . 1 1 94 94 ALA H H 94 7.960 7.960 8.349 -0.389 17952 5386 1 11 . 1 1 95 95 ASP N N 95 114.705 114.705 118.286 -3.581 17952 5387 1 11 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.567 -0.075 17952 5388 1 11 . 1 1 95 95 ASP CA C 95 54.861 54.861 55.080 -0.219 17952 5389 1 11 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.466 -0.583 17952 5390 1 11 . 1 1 95 95 ASP H H 95 7.360 7.360 7.726 -0.366 17952 5391 1 11 . 1 1 96 96 LEU N N 96 120.424 120.424 121.876 -1.452 17952 5392 1 11 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.289 0.169 17952 5393 1 11 . 1 1 96 96 LEU CA C 96 54.357 54.357 55.180 -0.823 17952 5394 1 11 . 1 1 96 96 LEU CB C 96 42.433 42.433 41.610 0.823 17952 5395 1 11 . 1 1 96 96 LEU H H 96 7.389 7.389 7.394 -0.005 17952 5396 1 11 . 1 1 97 97 ASP N N 97 123.018 123.018 124.762 -1.744 17952 5397 1 11 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.812 -0.282 17952 5398 1 11 . 1 1 97 97 ASP CA C 97 52.835 52.835 52.949 -0.114 17952 5399 1 11 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.084 -2.582 17952 5400 1 11 . 1 1 97 97 ASP H H 97 8.473 8.473 8.360 0.113 17952 5401 1 11 . 1 1 98 98 ASN N N 98 117.692 117.692 119.110 -1.418 17952 5402 1 11 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.315 -0.179 17952 5403 1 11 . 1 1 98 98 ASN CA C 98 56.865 56.865 57.011 -0.146 17952 5404 1 11 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.535 -1.595 17952 5405 1 11 . 1 1 98 98 ASN H H 98 8.651 8.651 8.716 -0.065 17952 5406 1 11 . 1 1 99 99 ARG N N 99 120.819 120.819 119.076 1.743 17952 5407 1 11 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.230 -0.177 17952 5408 1 11 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.423 1.075 17952 5409 1 11 . 1 1 99 99 ARG CB C 99 29.317 29.317 29.596 -0.279 17952 5410 1 11 . 1 1 99 99 ARG H H 99 8.191 8.191 8.275 -0.084 17952 5411 1 11 . 1 1 100 100 ALA N N 100 122.928 122.928 121.671 1.257 17952 5412 1 11 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.193 -0.042 17952 5413 1 11 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.891 0.158 17952 5414 1 11 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.106 0.891 17952 5415 1 11 . 1 1 100 100 ALA H H 100 8.524 8.524 8.179 0.345 17952 5416 1 11 . 1 1 101 101 LEU N N 101 120.795 120.795 114.877 5.918 17952 5417 1 11 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.169 -0.071 17952 5418 1 11 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.773 0.462 17952 5419 1 11 . 1 1 101 101 LEU CB C 101 41.509 41.509 40.920 0.589 17952 5420 1 11 . 1 1 101 101 LEU H H 101 8.961 8.961 8.440 0.521 17952 5421 1 11 . 1 1 102 102 SER N N 102 115.314 115.314 116.354 -1.040 17952 5422 1 11 . 1 1 102 102 SER HA H 102 4.123 4.123 4.269 -0.146 17952 5423 1 11 . 1 1 102 102 SER CB C 102 62.761 62.761 62.944 -0.183 17952 5424 1 11 . 1 1 102 102 SER H H 102 8.459 8.459 7.614 0.845 17952 5425 1 11 . 1 1 103 103 GLU N N 103 122.468 122.468 120.839 1.629 17952 5426 1 11 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.213 -0.083 17952 5427 1 11 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.219 1.249 17952 5428 1 11 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.359 0.169 17952 5429 1 11 . 1 1 103 103 GLU H H 103 8.492 8.492 7.835 0.657 17952 5430 1 11 . 1 1 104 104 ALA N N 104 123.159 123.159 122.090 1.069 17952 5431 1 11 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.344 -0.254 17952 5432 1 11 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.530 0.712 17952 5433 1 11 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.730 -0.903 17952 5434 1 11 . 1 1 104 104 ALA H H 104 8.074 8.074 8.140 -0.066 17952 5435 1 11 . 1 1 105 105 LEU N N 105 116.602 116.602 120.505 -3.903 17952 5436 1 11 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.005 -0.454 17952 5437 1 11 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.995 0.409 17952 5438 1 11 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.538 0.081 17952 5439 1 11 . 1 1 105 105 LEU H H 105 8.318 8.318 7.653 0.665 17952 5440 1 11 . 1 1 106 106 GLU N N 106 117.564 117.564 117.519 0.045 17952 5441 1 11 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.345 -0.113 17952 5442 1 11 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.699 0.717 17952 5443 1 11 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.892 0.033 17952 5444 1 11 . 1 1 106 106 GLU H H 106 8.009 8.009 8.045 -0.036 17952 5445 1 11 . 1 1 107 107 LYS N N 107 117.286 117.286 119.478 -2.192 17952 5446 1 11 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.168 -0.194 17952 5447 1 11 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.599 1.308 17952 5448 1 11 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.903 0.478 17952 5449 1 11 . 1 1 107 107 LYS H H 107 7.787 7.787 7.387 0.400 17952 5450 1 11 . 1 1 108 108 LEU N N 108 120.504 120.504 117.635 2.869 17952 5451 1 11 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.348 -0.369 17952 5452 1 11 . 1 1 108 108 LEU CA C 108 57.817 57.817 58.056 -0.238 17952 5453 1 11 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.039 1.261 17952 5454 1 11 . 1 1 108 108 LEU H H 108 7.875 7.875 7.492 0.383 17952 5455 1 11 . 1 1 109 109 TRP N N 109 120.547 120.547 122.696 -2.149 17952 5456 1 11 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.945 -1.058 17952 5457 1 11 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.188 1.575 17952 5458 1 11 . 1 1 109 109 TRP H H 109 9.048 9.048 8.637 0.411 17952 5459 1 11 . 1 1 110 110 ARG N N 110 117.678 117.678 118.357 -0.679 17952 5460 1 11 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.366 0.708 17952 5461 1 11 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.075 1.168 17952 5462 1 11 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.642 -0.000 17952 5463 1 11 . 1 1 110 110 ARG H H 110 8.425 8.425 7.693 0.732 17952 5464 1 11 . 1 1 111 111 ARG N N 111 121.156 121.156 119.714 1.442 17952 5465 1 11 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.029 0.146 17952 5466 1 11 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.534 0.534 17952 5467 1 11 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.664 -0.594 17952 5468 1 11 . 1 1 111 111 ARG H H 111 8.100 8.100 7.991 0.109 17952 5469 1 11 . 1 1 112 112 HIS N N 112 118.118 118.118 115.365 2.753 17952 5470 1 11 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.633 -0.330 17952 5471 1 11 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.742 2.793 17952 5472 1 11 . 1 1 112 112 HIS CB C 112 31.917 31.917 31.142 0.775 17952 5473 1 11 . 1 1 112 112 HIS H H 112 8.250 8.250 7.679 0.571 17952 5474 1 11 . 1 1 113 113 CYS N N 113 117.579 117.579 119.012 -1.433 17952 5475 1 11 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.102 0.162 17952 5476 1 11 . 1 1 113 113 CYS CA C 113 64.136 64.136 62.271 1.865 17952 5477 1 11 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.610 -0.825 17952 5478 1 11 . 1 1 113 113 CYS H H 113 8.181 8.181 8.379 -0.198 17952 5479 1 11 . 1 1 114 114 ARG N N 114 120.172 120.172 117.461 2.711 17952 5480 1 11 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.430 -0.283 17952 5481 1 11 . 1 1 114 114 ARG CA C 114 59.050 59.050 55.377 3.673 17952 5482 1 11 . 1 1 114 114 ARG CB C 114 29.818 29.818 30.036 -0.218 17952 5483 1 11 . 1 1 114 114 ARG H H 114 7.870 7.870 7.823 0.047 17952 5484 1 11 . 1 1 115 115 LEU N N 115 120.720 120.720 119.405 1.315 17952 5485 1 11 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.504 -0.387 17952 5486 1 11 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.111 1.251 17952 5487 1 11 . 1 1 115 115 LEU CB C 115 41.902 41.902 43.641 -1.739 17952 5488 1 11 . 1 1 115 115 LEU H H 115 8.690 8.690 7.638 1.052 17952 5489 1 11 . 1 1 116 116 ALA N N 116 119.118 119.118 123.061 -3.943 17952 5490 1 11 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.419 -0.052 17952 5491 1 11 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.643 0.445 17952 5492 1 11 . 1 1 116 116 ALA H H 116 7.751 7.751 8.047 -0.296 17952 5493 1 11 . 1 1 117 117 ARG N N 117 117.010 117.010 115.339 1.671 17952 5494 1 11 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.332 0.056 17952 5495 1 11 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.461 1.585 17952 5496 1 11 . 1 1 117 117 ARG CB C 117 30.858 30.858 29.846 1.012 17952 5497 1 11 . 1 1 117 117 ARG H H 117 7.602 7.602 8.157 -0.555 17952 5498 1 11 . 1 1 118 118 GLY N N 118 108.836 108.836 109.380 -0.544 17952 5499 1 11 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.250 0.316 17952 5500 1 11 . 1 1 118 118 GLY H H 118 8.087 8.087 7.594 0.493 17952 5501 1 12 . 1 1 3 3 LYS CA C 3 56.191 56.191 57.282 -1.091 17952 5502 1 12 . 1 1 3 3 LYS CB C 3 32.966 32.966 31.175 1.790 17952 5503 1 12 . 1 1 4 4 LEU N N 4 125.667 125.667 122.198 3.469 17952 5504 1 12 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.457 -0.070 17952 5505 1 12 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.820 -1.153 17952 5506 1 12 . 1 1 4 4 LEU CB C 4 42.618 42.618 43.213 -0.595 17952 5507 1 12 . 1 1 4 4 LEU H H 4 8.498 8.498 8.516 -0.018 17952 5508 1 12 . 1 1 5 5 ALA N N 5 126.419 126.419 122.421 3.998 17952 5509 1 12 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.357 0.014 17952 5510 1 12 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.354 -0.017 17952 5511 1 12 . 1 1 5 5 ALA H H 5 8.435 8.435 7.773 0.662 17952 5512 1 12 . 1 1 6 6 PHE N N 6 124.718 124.718 121.337 3.381 17952 5513 1 12 . 1 1 6 6 PHE H H 6 8.714 8.714 8.051 0.663 17952 5514 1 12 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.319 -0.083 17952 5515 1 12 . 1 1 7 7 PRO CA C 7 63.736 63.736 64.106 -0.370 17952 5516 1 12 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.661 0.741 17952 5517 1 12 . 1 1 8 8 ARG N N 8 124.351 124.351 118.885 5.466 17952 5518 1 12 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.203 -0.419 17952 5519 1 12 . 1 1 8 8 ARG CA C 8 59.972 59.972 59.525 0.447 17952 5520 1 12 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.995 0.261 17952 5521 1 12 . 1 1 8 8 ARG H H 8 8.650 8.650 8.774 -0.124 17952 5522 1 12 . 1 1 9 9 GLU N N 9 117.015 117.015 120.531 -3.516 17952 5523 1 12 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.218 0.023 17952 5524 1 12 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.786 -0.250 17952 5525 1 12 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.141 -0.855 17952 5526 1 12 . 1 1 9 9 GLU H H 9 9.522 9.522 7.998 1.524 17952 5527 1 12 . 1 1 10 10 LEU N N 10 116.269 116.269 117.765 -1.496 17952 5528 1 12 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.552 0.130 17952 5529 1 12 . 1 1 10 10 LEU CA C 10 54.324 54.324 53.672 0.652 17952 5530 1 12 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.774 -0.469 17952 5531 1 12 . 1 1 10 10 LEU H H 10 7.285 7.285 7.426 -0.141 17952 5532 1 12 . 1 1 11 11 ARG N N 11 116.982 116.982 118.502 -1.520 17952 5533 1 12 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.011 1.034 17952 5534 1 12 . 1 1 11 11 ARG CA C 11 55.671 55.671 56.840 -1.169 17952 5535 1 12 . 1 1 11 11 ARG CB C 11 32.827 32.827 27.942 4.885 17952 5536 1 12 . 1 1 11 11 ARG H H 11 7.618 7.618 7.841 -0.223 17952 5537 1 12 . 1 1 12 12 LEU N N 12 119.127 119.127 119.215 -0.088 17952 5538 1 12 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.518 -0.189 17952 5539 1 12 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.048 0.067 17952 5540 1 12 . 1 1 12 12 LEU CB C 12 41.683 41.683 43.312 -1.629 17952 5541 1 12 . 1 1 12 12 LEU H H 12 7.289 7.289 8.206 -0.917 17952 5542 1 12 . 1 1 13 13 LEU N N 13 123.181 123.181 121.072 2.109 17952 5543 1 12 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.646 0.101 17952 5544 1 12 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.019 2.171 17952 5545 1 12 . 1 1 13 13 LEU CB C 13 46.234 46.234 43.458 2.776 17952 5546 1 12 . 1 1 13 13 LEU H H 13 8.816 8.816 8.121 0.695 17952 5547 1 12 . 1 1 14 14 THR N N 14 111.810 111.810 116.471 -4.661 17952 5548 1 12 . 1 1 14 14 THR HA H 14 5.104 5.104 4.561 0.543 17952 5549 1 12 . 1 1 14 14 THR H H 14 8.321 8.321 8.193 0.128 17952 5550 1 12 . 1 1 16 16 SER HA H 16 4.282 4.282 4.418 -0.136 17952 5551 1 12 . 1 1 16 16 SER CB C 16 62.228 62.228 63.357 -1.129 17952 5552 1 12 . 1 1 17 17 GLN N N 17 122.336 122.336 127.334 -4.998 17952 5553 1 12 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.006 0.072 17952 5554 1 12 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.694 -0.572 17952 5555 1 12 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.699 0.404 17952 5556 1 12 . 1 1 17 17 GLN H H 17 7.967 7.967 8.978 -1.011 17952 5557 1 12 . 1 1 18 18 PHE N N 18 119.658 119.658 120.371 -0.713 17952 5558 1 12 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.898 -0.258 17952 5559 1 12 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.774 -0.284 17952 5560 1 12 . 1 1 18 18 PHE H H 18 7.733 7.733 8.350 -0.617 17952 5561 1 12 . 1 1 19 19 THR N N 19 116.141 116.141 115.566 0.575 17952 5562 1 12 . 1 1 19 19 THR HA H 19 3.911 3.911 4.062 -0.151 17952 5563 1 12 . 1 1 19 19 THR CA C 19 67.058 67.058 66.591 0.466 17952 5564 1 12 . 1 1 19 19 THR CB C 19 68.790 68.790 68.493 0.297 17952 5565 1 12 . 1 1 19 19 THR H H 19 8.622 8.622 7.763 0.859 17952 5566 1 12 . 1 1 20 20 PHE N N 20 119.904 119.904 121.621 -1.717 17952 5567 1 12 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.393 -0.244 17952 5568 1 12 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.885 -0.625 17952 5569 1 12 . 1 1 20 20 PHE H H 20 7.728 7.728 7.858 -0.130 17952 5570 1 12 . 1 1 21 21 VAL N N 21 117.896 117.896 116.179 1.717 17952 5571 1 12 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.822 -0.740 17952 5572 1 12 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.784 1.552 17952 5573 1 12 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.303 0.286 17952 5574 1 12 . 1 1 21 21 VAL H H 21 6.861 6.861 8.212 -1.351 17952 5575 1 12 . 1 1 22 22 PHE N N 22 114.352 114.352 118.128 -3.776 17952 5576 1 12 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.209 -0.198 17952 5577 1 12 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.112 -0.527 17952 5578 1 12 . 1 1 22 22 PHE H H 22 7.653 7.653 7.888 -0.235 17952 5579 1 12 . 1 1 23 23 GLN N N 23 116.245 116.245 118.290 -2.045 17952 5580 1 12 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.938 0.095 17952 5581 1 12 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.861 0.554 17952 5582 1 12 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.957 -0.007 17952 5583 1 12 . 1 1 23 23 GLN H H 23 7.928 7.928 7.323 0.605 17952 5584 1 12 . 1 1 24 24 GLN N N 24 114.087 114.087 116.199 -2.112 17952 5585 1 12 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.599 -0.174 17952 5586 1 12 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.492 1.199 17952 5587 1 12 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.635 -1.178 17952 5588 1 12 . 1 1 24 24 GLN H H 24 6.731 6.731 7.782 -1.051 17952 5589 1 12 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.873 0.155 17952 5590 1 12 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.791 1.388 17952 5591 1 12 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.546 -0.969 17952 5592 1 12 . 1 1 26 26 GLN N N 26 120.107 120.107 119.522 0.585 17952 5593 1 12 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.161 1.118 17952 5594 1 12 . 1 1 26 26 GLN CB C 26 30.556 30.556 27.929 2.627 17952 5595 1 12 . 1 1 26 26 GLN H H 26 9.622 9.622 8.383 1.239 17952 5596 1 12 . 1 1 27 27 ARG N N 27 125.712 125.712 127.635 -1.923 17952 5597 1 12 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.291 0.929 17952 5598 1 12 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.627 0.498 17952 5599 1 12 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.378 5.263 17952 5600 1 12 . 1 1 27 27 ARG H H 27 9.068 9.068 8.427 0.641 17952 5601 1 12 . 1 1 28 28 ALA N N 28 123.402 123.402 130.588 -7.186 17952 5602 1 12 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.692 -0.178 17952 5603 1 12 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.073 0.846 17952 5604 1 12 . 1 1 28 28 ALA H H 28 8.102 8.102 8.038 0.064 17952 5605 1 12 . 1 1 29 29 GLY N N 29 109.532 109.532 110.432 -0.900 17952 5606 1 12 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.991 1.893 17952 5607 1 12 . 1 1 29 29 GLY H H 29 8.572 8.572 8.159 0.413 17952 5608 1 12 . 1 1 30 30 THR N N 30 113.168 113.168 112.974 0.194 17952 5609 1 12 . 1 1 30 30 THR HA H 30 4.953 4.953 4.879 0.074 17952 5610 1 12 . 1 1 30 30 THR H H 30 9.199 9.199 8.148 1.051 17952 5611 1 12 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.289 0.008 17952 5612 1 12 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.617 -0.106 17952 5613 1 12 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.073 -1.090 17952 5614 1 12 . 1 1 32 32 GLN N N 32 110.281 110.281 116.401 -6.120 17952 5615 1 12 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.152 0.043 17952 5616 1 12 . 1 1 32 32 GLN CA C 32 58.478 58.478 58.749 -0.271 17952 5617 1 12 . 1 1 32 32 GLN CB C 32 28.996 28.996 28.870 0.126 17952 5618 1 12 . 1 1 32 32 GLN H H 32 7.403 7.403 8.580 -1.177 17952 5619 1 12 . 1 1 33 33 ILE N N 33 118.254 118.254 118.309 -0.055 17952 5620 1 12 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.793 0.447 17952 5621 1 12 . 1 1 33 33 ILE CB C 33 42.791 42.791 38.762 4.029 17952 5622 1 12 . 1 1 33 33 ILE H H 33 7.353 7.353 7.315 0.038 17952 5623 1 12 . 1 1 34 34 THR N N 34 122.650 122.650 127.096 -4.446 17952 5624 1 12 . 1 1 34 34 THR HA H 34 4.946 4.946 4.652 0.294 17952 5625 1 12 . 1 1 34 34 THR CA C 34 61.792 61.792 61.823 -0.031 17952 5626 1 12 . 1 1 34 34 THR CB C 34 71.752 71.752 69.094 2.658 17952 5627 1 12 . 1 1 34 34 THR H H 34 8.787 8.787 8.841 -0.054 17952 5628 1 12 . 1 1 35 35 ILE N N 35 123.778 123.778 129.152 -5.374 17952 5629 1 12 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.434 0.727 17952 5630 1 12 . 1 1 35 35 ILE CA C 35 61.713 61.713 61.532 0.181 17952 5631 1 12 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.006 2.037 17952 5632 1 12 . 1 1 35 35 ILE H H 35 9.109 9.109 8.650 0.459 17952 5633 1 12 . 1 1 36 36 LEU N N 36 132.558 132.558 128.540 4.018 17952 5634 1 12 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.867 0.767 17952 5635 1 12 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.700 -0.456 17952 5636 1 12 . 1 1 36 36 LEU CB C 36 44.498 44.498 44.745 -0.246 17952 5637 1 12 . 1 1 36 36 LEU H H 36 9.500 9.500 8.975 0.525 17952 5638 1 12 . 1 1 37 37 GLY N N 37 106.940 106.940 108.272 -1.332 17952 5639 1 12 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.762 0.496 17952 5640 1 12 . 1 1 37 37 GLY H H 37 9.058 9.058 8.261 0.797 17952 5641 1 12 . 1 1 38 38 ARG N N 38 121.378 121.378 122.842 -1.464 17952 5642 1 12 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.587 0.065 17952 5643 1 12 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.412 0.873 17952 5644 1 12 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.721 1.455 17952 5645 1 12 . 1 1 38 38 ARG H H 38 8.384 8.384 8.367 0.017 17952 5646 1 12 . 1 1 39 39 LEU N N 39 129.596 129.596 125.270 4.326 17952 5647 1 12 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.832 0.640 17952 5648 1 12 . 1 1 39 39 LEU H H 39 9.030 9.030 8.508 0.522 17952 5649 1 12 . 1 1 40 40 ASN N N 40 119.921 119.921 122.356 -2.435 17952 5650 1 12 . 1 1 40 40 ASN CA C 40 51.546 51.546 51.446 0.100 17952 5651 1 12 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.850 0.238 17952 5652 1 12 . 1 1 40 40 ASN H H 40 8.186 8.186 8.178 0.008 17952 5653 1 12 . 1 1 41 41 SER N N 41 112.600 112.600 117.383 -4.783 17952 5654 1 12 . 1 1 41 41 SER HA H 41 4.484 4.484 4.430 0.054 17952 5655 1 12 . 1 1 41 41 SER CB C 41 62.949 62.949 61.497 1.452 17952 5656 1 12 . 1 1 41 41 SER H H 41 8.646 8.646 8.398 0.248 17952 5657 1 12 . 1 1 42 42 LEU N N 42 120.612 120.612 126.961 -6.349 17952 5658 1 12 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.600 -0.266 17952 5659 1 12 . 1 1 42 42 LEU CA C 42 54.828 54.828 54.743 0.085 17952 5660 1 12 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.879 0.834 17952 5661 1 12 . 1 1 42 42 LEU H H 42 8.538 8.538 8.110 0.428 17952 5662 1 12 . 1 1 43 43 GLY N N 43 105.922 105.922 106.601 -0.679 17952 5663 1 12 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.778 -0.506 17952 5664 1 12 . 1 1 43 43 GLY H H 43 8.317 8.317 8.332 -0.015 17952 5665 1 12 . 1 1 44 44 HIS N N 44 114.144 114.144 117.940 -3.796 17952 5666 1 12 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.747 0.318 17952 5667 1 12 . 1 1 44 44 HIS H H 44 7.145 7.145 7.652 -0.507 17952 5668 1 12 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.531 0.872 17952 5669 1 12 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.103 -0.542 17952 5670 1 12 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.389 1.708 17952 5671 1 12 . 1 1 46 46 ARG N N 46 116.294 116.294 124.873 -8.579 17952 5672 1 12 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.610 0.546 17952 5673 1 12 . 1 1 46 46 ARG CA C 46 56.154 56.154 55.021 1.133 17952 5674 1 12 . 1 1 46 46 ARG CB C 46 37.970 37.970 34.329 3.641 17952 5675 1 12 . 1 1 46 46 ARG H H 46 8.919 8.919 8.047 0.872 17952 5676 1 12 . 1 1 47 47 ILE N N 47 117.069 117.069 125.969 -8.900 17952 5677 1 12 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.083 1.601 17952 5678 1 12 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.513 -1.693 17952 5679 1 12 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.004 2.708 17952 5680 1 12 . 1 1 47 47 ILE H H 47 9.106 9.106 8.773 0.334 17952 5681 1 12 . 1 1 48 48 GLY N N 48 116.903 116.903 118.189 -1.286 17952 5682 1 12 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.181 0.348 17952 5683 1 12 . 1 1 48 48 GLY H H 48 9.276 9.276 8.608 0.668 17952 5684 1 12 . 1 1 49 49 LEU N N 49 123.729 123.729 124.674 -0.945 17952 5685 1 12 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.250 1.191 17952 5686 1 12 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.300 -0.938 17952 5687 1 12 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.017 3.528 17952 5688 1 12 . 1 1 49 49 LEU H H 49 8.957 8.957 7.568 1.389 17952 5689 1 12 . 1 1 50 50 THR N N 50 120.870 120.870 125.558 -4.688 17952 5690 1 12 . 1 1 50 50 THR HA H 50 4.616 4.616 4.492 0.124 17952 5691 1 12 . 1 1 50 50 THR H H 50 9.419 9.419 8.935 0.484 17952 5692 1 12 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.329 0.027 17952 5693 1 12 . 1 1 51 51 VAL CA C 51 60.110 60.110 59.920 0.190 17952 5694 1 12 . 1 1 51 51 VAL CB C 51 32.291 32.291 33.017 -0.726 17952 5695 1 12 . 1 1 52 52 ALA N N 52 129.415 129.415 130.222 -0.807 17952 5696 1 12 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.537 -1.225 17952 5697 1 12 . 1 1 52 52 ALA H H 52 9.046 9.046 8.546 0.500 17952 5698 1 12 . 1 1 53 53 LYS N N 53 125.023 125.023 118.576 6.447 17952 5699 1 12 . 1 1 53 53 LYS HA H 53 4.089 4.089 3.964 0.125 17952 5700 1 12 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.526 0.209 17952 5701 1 12 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.180 -0.084 17952 5702 1 12 . 1 1 53 53 LYS H H 53 8.811 8.811 8.656 0.155 17952 5703 1 12 . 1 1 54 54 LYS N N 54 114.126 114.126 114.393 -0.267 17952 5704 1 12 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.335 -0.294 17952 5705 1 12 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.925 1.028 17952 5706 1 12 . 1 1 54 54 LYS CB C 54 31.930 31.930 31.288 0.642 17952 5707 1 12 . 1 1 54 54 LYS H H 54 8.073 8.073 8.084 -0.011 17952 5708 1 12 . 1 1 55 55 ASN N N 55 115.234 115.234 117.712 -2.478 17952 5709 1 12 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.794 0.064 17952 5710 1 12 . 1 1 55 55 ASN CA C 55 53.777 53.777 55.502 -1.725 17952 5711 1 12 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.898 -0.369 17952 5712 1 12 . 1 1 55 55 ASN H H 55 7.434 7.434 7.802 -0.368 17952 5713 1 12 . 1 1 56 56 VAL N N 56 121.000 121.000 118.468 2.532 17952 5714 1 12 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.362 -0.189 17952 5715 1 12 . 1 1 56 56 VAL CA C 56 61.761 61.761 60.915 0.846 17952 5716 1 12 . 1 1 56 56 VAL CB C 56 33.033 33.033 33.185 -0.152 17952 5717 1 12 . 1 1 56 56 VAL H H 56 7.764 7.764 7.426 0.338 17952 5718 1 12 . 1 1 57 57 ARG N N 57 125.781 125.781 127.324 -1.543 17952 5719 1 12 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.142 0.058 17952 5720 1 12 . 1 1 57 57 ARG CA C 57 58.646 58.646 58.350 0.296 17952 5721 1 12 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.748 0.256 17952 5722 1 12 . 1 1 57 57 ARG H H 57 8.441 8.441 8.644 -0.203 17952 5723 1 12 . 1 1 58 58 ARG N N 58 118.159 118.159 119.788 -1.629 17952 5724 1 12 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.294 0.300 17952 5725 1 12 . 1 1 58 58 ARG H H 58 8.250 8.250 8.223 0.027 17952 5726 1 12 . 1 1 60 60 HIS N N 60 116.957 116.957 116.424 0.533 17952 5727 1 12 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.374 0.061 17952 5728 1 12 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.584 0.021 17952 5729 1 12 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.965 -0.018 17952 5730 1 12 . 1 1 60 60 HIS H H 60 7.600 7.600 8.501 -0.901 17952 5731 1 12 . 1 1 61 61 GLU N N 61 119.542 119.542 117.542 2.000 17952 5732 1 12 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.291 0.138 17952 5733 1 12 . 1 1 61 61 GLU CA C 61 57.628 57.628 57.838 -0.210 17952 5734 1 12 . 1 1 61 61 GLU CB C 61 29.805 29.805 29.359 0.446 17952 5735 1 12 . 1 1 61 61 GLU H H 61 6.702 6.702 7.676 -0.974 17952 5736 1 12 . 1 1 62 62 ARG N N 62 120.227 120.227 118.625 1.602 17952 5737 1 12 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.144 -0.411 17952 5738 1 12 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.979 2.552 17952 5739 1 12 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.740 -0.128 17952 5740 1 12 . 1 1 62 62 ARG H H 62 7.951 7.951 8.096 -0.145 17952 5741 1 12 . 1 1 63 63 ASN N N 63 116.757 116.757 118.802 -2.045 17952 5742 1 12 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.648 -0.214 17952 5743 1 12 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.016 1.192 17952 5744 1 12 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.242 -0.417 17952 5745 1 12 . 1 1 63 63 ASN H H 63 8.365 8.365 7.528 0.837 17952 5746 1 12 . 1 1 64 64 ARG N N 64 123.093 123.093 122.236 0.857 17952 5747 1 12 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.014 0.042 17952 5748 1 12 . 1 1 64 64 ARG CA C 64 60.138 60.138 59.429 0.709 17952 5749 1 12 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.058 0.773 17952 5750 1 12 . 1 1 64 64 ARG H H 64 7.770 7.770 7.326 0.444 17952 5751 1 12 . 1 1 65 65 ILE N N 65 117.911 117.911 118.314 -0.403 17952 5752 1 12 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.777 -0.252 17952 5753 1 12 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.474 1.241 17952 5754 1 12 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.951 0.694 17952 5755 1 12 . 1 1 65 65 ILE H H 65 8.121 8.121 7.850 0.271 17952 5756 1 12 . 1 1 66 66 LYS N N 66 122.635 122.635 120.456 2.179 17952 5757 1 12 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.082 -0.311 17952 5758 1 12 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.978 0.957 17952 5759 1 12 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.230 0.194 17952 5760 1 12 . 1 1 66 66 LYS H H 66 8.337 8.337 7.305 1.032 17952 5761 1 12 . 1 1 67 67 ARG N N 67 119.137 119.137 117.677 1.460 17952 5762 1 12 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.084 -0.076 17952 5763 1 12 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.598 1.391 17952 5764 1 12 . 1 1 67 67 ARG CB C 67 30.035 30.035 29.973 0.062 17952 5765 1 12 . 1 1 67 67 ARG H H 67 8.257 8.257 7.530 0.727 17952 5766 1 12 . 1 1 68 68 LEU N N 68 119.084 119.084 119.358 -0.274 17952 5767 1 12 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.441 -0.333 17952 5768 1 12 . 1 1 68 68 LEU CA C 68 58.022 58.022 57.566 0.456 17952 5769 1 12 . 1 1 68 68 LEU CB C 68 41.602 41.602 42.230 -0.628 17952 5770 1 12 . 1 1 68 68 LEU H H 68 8.427 8.427 7.593 0.834 17952 5771 1 12 . 1 1 69 69 THR N N 69 118.019 118.019 112.952 5.067 17952 5772 1 12 . 1 1 69 69 THR CA C 69 67.701 67.701 65.691 2.010 17952 5773 1 12 . 1 1 69 69 THR H H 69 8.433 8.433 8.128 0.305 17952 5774 1 12 . 1 1 70 70 ARG N N 70 122.713 122.713 120.921 1.792 17952 5775 1 12 . 1 1 70 70 ARG CA C 70 61.410 61.410 58.666 2.744 17952 5776 1 12 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.236 -0.187 17952 5777 1 12 . 1 1 70 70 ARG H H 70 8.346 8.346 7.898 0.448 17952 5778 1 12 . 1 1 71 71 GLU N N 71 118.890 118.890 118.841 0.049 17952 5779 1 12 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.083 0.183 17952 5780 1 12 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.301 0.180 17952 5781 1 12 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.531 -0.215 17952 5782 1 12 . 1 1 71 71 GLU H H 71 8.334 8.334 7.765 0.569 17952 5783 1 12 . 1 1 72 72 SER N N 72 114.922 114.922 115.777 -0.855 17952 5784 1 12 . 1 1 72 72 SER HA H 72 4.243 4.243 4.130 0.113 17952 5785 1 12 . 1 1 72 72 SER CA C 72 61.292 61.292 61.170 0.122 17952 5786 1 12 . 1 1 72 72 SER CB C 72 63.065 63.065 62.895 0.170 17952 5787 1 12 . 1 1 72 72 SER H H 72 8.205 8.205 7.540 0.665 17952 5788 1 12 . 1 1 73 73 PHE N N 73 122.665 122.665 120.362 2.303 17952 5789 1 12 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.178 -1.069 17952 5790 1 12 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.590 0.945 17952 5791 1 12 . 1 1 73 73 PHE H H 73 7.788 7.788 7.585 0.203 17952 5792 1 12 . 1 1 74 74 ARG N N 74 119.417 119.417 118.180 1.237 17952 5793 1 12 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.089 -0.192 17952 5794 1 12 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.571 0.630 17952 5795 1 12 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.400 -0.419 17952 5796 1 12 . 1 1 74 74 ARG H H 74 8.580 8.580 7.565 1.015 17952 5797 1 12 . 1 1 75 75 LEU N N 75 117.144 117.144 118.947 -1.803 17952 5798 1 12 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.358 -0.262 17952 5799 1 12 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.083 1.134 17952 5800 1 12 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.427 0.361 17952 5801 1 12 . 1 1 75 75 LEU H H 75 7.903 7.903 7.580 0.323 17952 5802 1 12 . 1 1 76 76 ARG N N 76 113.888 113.888 120.762 -6.874 17952 5803 1 12 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.381 0.042 17952 5804 1 12 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.147 0.340 17952 5805 1 12 . 1 1 76 76 ARG CB C 76 31.867 31.867 28.498 3.369 17952 5806 1 12 . 1 1 76 76 ARG H H 76 6.736 6.736 8.139 -1.403 17952 5807 1 12 . 1 1 77 77 GLN N N 77 120.009 120.009 117.953 2.056 17952 5808 1 12 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.664 2.592 17952 5809 1 12 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.227 0.361 17952 5810 1 12 . 1 1 77 77 GLN H H 77 7.273 7.273 7.471 -0.198 17952 5811 1 12 . 1 1 78 78 HIS N N 78 114.954 114.954 116.314 -1.360 17952 5812 1 12 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.832 -0.387 17952 5813 1 12 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.245 1.555 17952 5814 1 12 . 1 1 78 78 HIS CB C 78 29.402 29.402 31.061 -1.659 17952 5815 1 12 . 1 1 78 78 HIS H H 78 8.389 8.389 8.184 0.205 17952 5816 1 12 . 1 1 79 79 GLU N N 79 118.231 118.231 121.609 -3.378 17952 5817 1 12 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.249 0.158 17952 5818 1 12 . 1 1 79 79 GLU CA C 79 55.392 55.392 58.556 -3.164 17952 5819 1 12 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.157 1.139 17952 5820 1 12 . 1 1 79 79 GLU H H 79 7.717 7.717 8.174 -0.457 17952 5821 1 12 . 1 1 80 80 LEU N N 80 119.751 119.751 116.593 3.158 17952 5822 1 12 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.918 -0.364 17952 5823 1 12 . 1 1 80 80 LEU H H 80 6.859 6.859 7.392 -0.533 17952 5824 1 12 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.529 0.042 17952 5825 1 12 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.693 -0.968 17952 5826 1 12 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.588 -0.256 17952 5827 1 12 . 1 1 82 82 ALA N N 82 122.525 122.525 125.788 -3.263 17952 5828 1 12 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.365 -0.607 17952 5829 1 12 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.166 -2.258 17952 5830 1 12 . 1 1 82 82 ALA H H 82 8.425 8.425 8.507 -0.082 17952 5831 1 12 . 1 1 83 83 MET N N 83 122.963 122.963 121.435 1.528 17952 5832 1 12 . 1 1 83 83 MET HA H 83 4.387 4.387 4.674 -0.287 17952 5833 1 12 . 1 1 83 83 MET CA C 83 54.002 54.002 55.105 -1.103 17952 5834 1 12 . 1 1 83 83 MET CB C 83 35.655 35.655 36.211 -0.556 17952 5835 1 12 . 1 1 83 83 MET H H 83 7.851 7.851 7.994 -0.143 17952 5836 1 12 . 1 1 84 84 ASP N N 84 121.733 121.733 124.957 -3.224 17952 5837 1 12 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.993 -0.241 17952 5838 1 12 . 1 1 84 84 ASP CA C 84 53.638 53.638 54.943 -1.305 17952 5839 1 12 . 1 1 84 84 ASP CB C 84 41.990 41.990 40.096 1.894 17952 5840 1 12 . 1 1 84 84 ASP H H 84 8.393 8.393 8.604 -0.211 17952 5841 1 12 . 1 1 85 85 PHE N N 85 121.368 121.368 123.370 -2.002 17952 5842 1 12 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.308 1.648 17952 5843 1 12 . 1 1 85 85 PHE CB C 85 42.080 42.080 38.403 3.677 17952 5844 1 12 . 1 1 85 85 PHE H H 85 8.849 8.849 8.160 0.689 17952 5845 1 12 . 1 1 86 86 VAL N N 86 120.431 120.431 126.415 -5.984 17952 5846 1 12 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.144 0.472 17952 5847 1 12 . 1 1 86 86 VAL CA C 86 60.874 60.874 62.522 -1.648 17952 5848 1 12 . 1 1 86 86 VAL CB C 86 34.882 34.882 30.702 4.180 17952 5849 1 12 . 1 1 86 86 VAL H H 86 9.407 9.407 8.730 0.677 17952 5850 1 12 . 1 1 87 87 VAL N N 87 127.860 127.860 129.882 -2.022 17952 5851 1 12 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.187 0.430 17952 5852 1 12 . 1 1 87 87 VAL CA C 87 61.420 61.420 62.147 -0.727 17952 5853 1 12 . 1 1 87 87 VAL CB C 87 32.122 32.122 31.286 0.836 17952 5854 1 12 . 1 1 87 87 VAL H H 87 8.843 8.843 8.083 0.760 17952 5855 1 12 . 1 1 88 88 VAL N N 88 128.150 128.150 129.074 -0.924 17952 5856 1 12 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.231 0.424 17952 5857 1 12 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.084 0.181 17952 5858 1 12 . 1 1 88 88 VAL CB C 88 33.439 33.439 30.362 3.077 17952 5859 1 12 . 1 1 88 88 VAL H H 88 9.538 9.538 9.043 0.495 17952 5860 1 12 . 1 1 89 89 ALA N N 89 128.337 128.337 132.377 -4.040 17952 5861 1 12 . 1 1 89 89 ALA HA H 89 4.604 4.604 5.159 -0.555 17952 5862 1 12 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.859 0.012 17952 5863 1 12 . 1 1 89 89 ALA H H 89 8.170 8.170 7.866 0.304 17952 5864 1 12 . 1 1 90 90 LYS N N 90 123.110 123.110 120.450 2.660 17952 5865 1 12 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.660 -0.183 17952 5866 1 12 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.651 1.459 17952 5867 1 12 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.822 -1.367 17952 5868 1 12 . 1 1 90 90 LYS H H 90 8.231 8.231 8.702 -0.471 17952 5869 1 12 . 1 1 91 91 LYS N N 91 119.291 119.291 121.497 -2.206 17952 5870 1 12 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.582 -0.534 17952 5871 1 12 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.194 1.977 17952 5872 1 12 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.192 1.027 17952 5873 1 12 . 1 1 91 91 LYS H H 91 8.162 8.162 8.432 -0.270 17952 5874 1 12 . 1 1 92 92 GLY N N 92 112.991 112.991 113.565 -0.574 17952 5875 1 12 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.375 -0.239 17952 5876 1 12 . 1 1 92 92 GLY H H 92 8.783 8.783 8.574 0.209 17952 5877 1 12 . 1 1 93 93 VAL N N 93 122.937 122.937 119.019 3.918 17952 5878 1 12 . 1 1 93 93 VAL HA H 93 3.730 3.730 4.003 -0.273 17952 5879 1 12 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.097 -0.186 17952 5880 1 12 . 1 1 93 93 VAL CB C 93 29.998 29.998 30.739 -0.741 17952 5881 1 12 . 1 1 93 93 VAL H H 93 8.363 8.363 7.463 0.900 17952 5882 1 12 . 1 1 94 94 ALA N N 94 119.882 119.882 120.046 -0.164 17952 5883 1 12 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.247 -0.151 17952 5884 1 12 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.011 -0.342 17952 5885 1 12 . 1 1 94 94 ALA H H 94 7.960 7.960 8.171 -0.211 17952 5886 1 12 . 1 1 95 95 ASP N N 95 114.705 114.705 118.256 -3.551 17952 5887 1 12 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.574 -0.082 17952 5888 1 12 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.522 0.339 17952 5889 1 12 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.513 -0.630 17952 5890 1 12 . 1 1 95 95 ASP H H 95 7.360 7.360 7.730 -0.370 17952 5891 1 12 . 1 1 96 96 LEU N N 96 120.424 120.424 121.580 -1.156 17952 5892 1 12 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.346 0.112 17952 5893 1 12 . 1 1 96 96 LEU CA C 96 54.357 54.357 54.421 -0.064 17952 5894 1 12 . 1 1 96 96 LEU CB C 96 42.433 42.433 42.730 -0.297 17952 5895 1 12 . 1 1 96 96 LEU H H 96 7.389 7.389 7.328 0.061 17952 5896 1 12 . 1 1 97 97 ASP N N 97 123.018 123.018 121.592 1.426 17952 5897 1 12 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.461 0.069 17952 5898 1 12 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.197 -1.362 17952 5899 1 12 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.148 -2.646 17952 5900 1 12 . 1 1 97 97 ASP H H 97 8.473 8.473 8.434 0.039 17952 5901 1 12 . 1 1 98 98 ASN N N 98 117.692 117.692 120.687 -2.995 17952 5902 1 12 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.422 -0.286 17952 5903 1 12 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.048 0.817 17952 5904 1 12 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.571 -1.631 17952 5905 1 12 . 1 1 98 98 ASN H H 98 8.651 8.651 8.768 -0.117 17952 5906 1 12 . 1 1 99 99 ARG N N 99 120.819 120.819 119.535 1.284 17952 5907 1 12 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.329 -0.276 17952 5908 1 12 . 1 1 99 99 ARG CA C 99 59.498 59.498 57.608 1.890 17952 5909 1 12 . 1 1 99 99 ARG CB C 99 29.317 29.317 29.789 -0.472 17952 5910 1 12 . 1 1 99 99 ARG H H 99 8.191 8.191 7.989 0.202 17952 5911 1 12 . 1 1 100 100 ALA N N 100 122.928 122.928 122.295 0.633 17952 5912 1 12 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.184 -0.033 17952 5913 1 12 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.911 0.138 17952 5914 1 12 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.262 0.735 17952 5915 1 12 . 1 1 100 100 ALA H H 100 8.524 8.524 7.620 0.904 17952 5916 1 12 . 1 1 101 101 LEU N N 101 120.795 120.795 116.733 4.062 17952 5917 1 12 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.173 -0.075 17952 5918 1 12 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.977 0.258 17952 5919 1 12 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.022 0.487 17952 5920 1 12 . 1 1 101 101 LEU H H 101 8.961 8.961 8.541 0.420 17952 5921 1 12 . 1 1 102 102 SER N N 102 115.314 115.314 114.314 1.000 17952 5922 1 12 . 1 1 102 102 SER HA H 102 4.123 4.123 4.186 -0.063 17952 5923 1 12 . 1 1 102 102 SER CB C 102 62.761 62.761 62.873 -0.112 17952 5924 1 12 . 1 1 102 102 SER H H 102 8.459 8.459 7.754 0.705 17952 5925 1 12 . 1 1 103 103 GLU N N 103 122.468 122.468 123.166 -0.698 17952 5926 1 12 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.119 0.011 17952 5927 1 12 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.641 0.827 17952 5928 1 12 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.423 0.105 17952 5929 1 12 . 1 1 103 103 GLU H H 103 8.492 8.492 7.665 0.827 17952 5930 1 12 . 1 1 104 104 ALA N N 104 123.159 123.159 121.909 1.250 17952 5931 1 12 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.126 -0.036 17952 5932 1 12 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.807 0.435 17952 5933 1 12 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.183 -0.356 17952 5934 1 12 . 1 1 104 104 ALA H H 104 8.074 8.074 8.003 0.071 17952 5935 1 12 . 1 1 105 105 LEU N N 105 116.602 116.602 119.275 -2.673 17952 5936 1 12 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.956 -0.404 17952 5937 1 12 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.296 0.108 17952 5938 1 12 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.060 -0.442 17952 5939 1 12 . 1 1 105 105 LEU H H 105 8.318 8.318 7.964 0.354 17952 5940 1 12 . 1 1 106 106 GLU N N 106 117.564 117.564 118.025 -0.461 17952 5941 1 12 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.340 -0.108 17952 5942 1 12 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.308 1.108 17952 5943 1 12 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.995 -0.071 17952 5944 1 12 . 1 1 106 106 GLU H H 106 8.009 8.009 8.068 -0.059 17952 5945 1 12 . 1 1 107 107 LYS N N 107 117.286 117.286 119.878 -2.592 17952 5946 1 12 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.144 -0.170 17952 5947 1 12 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.117 1.790 17952 5948 1 12 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.813 0.568 17952 5949 1 12 . 1 1 107 107 LYS H H 107 7.787 7.787 7.506 0.281 17952 5950 1 12 . 1 1 108 108 LEU N N 108 120.504 120.504 116.738 3.766 17952 5951 1 12 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.178 -0.199 17952 5952 1 12 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.745 0.073 17952 5953 1 12 . 1 1 108 108 LEU CB C 108 42.300 42.300 40.933 1.367 17952 5954 1 12 . 1 1 108 108 LEU H H 108 7.875 7.875 7.778 0.097 17952 5955 1 12 . 1 1 109 109 TRP N N 109 120.547 120.547 123.462 -2.915 17952 5956 1 12 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.519 -0.632 17952 5957 1 12 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.053 1.710 17952 5958 1 12 . 1 1 109 109 TRP H H 109 9.048 9.048 8.204 0.844 17952 5959 1 12 . 1 1 110 110 ARG N N 110 117.678 117.678 117.972 -0.294 17952 5960 1 12 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.242 0.832 17952 5961 1 12 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.366 0.877 17952 5962 1 12 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.500 0.141 17952 5963 1 12 . 1 1 110 110 ARG H H 110 8.425 8.425 8.274 0.151 17952 5964 1 12 . 1 1 111 111 ARG N N 111 121.156 121.156 119.643 1.513 17952 5965 1 12 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.016 0.159 17952 5966 1 12 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.272 0.796 17952 5967 1 12 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.484 -0.414 17952 5968 1 12 . 1 1 111 111 ARG H H 111 8.100 8.100 7.588 0.512 17952 5969 1 12 . 1 1 112 112 HIS N N 112 118.118 118.118 119.137 -1.019 17952 5970 1 12 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.405 -0.102 17952 5971 1 12 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.261 2.274 17952 5972 1 12 . 1 1 112 112 HIS CB C 112 31.917 31.917 29.956 1.961 17952 5973 1 12 . 1 1 112 112 HIS H H 112 8.250 8.250 7.945 0.305 17952 5974 1 12 . 1 1 113 113 CYS N N 113 117.579 117.579 118.513 -0.934 17952 5975 1 12 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.978 0.286 17952 5976 1 12 . 1 1 113 113 CYS CA C 113 64.136 64.136 63.793 0.343 17952 5977 1 12 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.716 -0.931 17952 5978 1 12 . 1 1 113 113 CYS H H 113 8.181 8.181 8.615 -0.434 17952 5979 1 12 . 1 1 114 114 ARG N N 114 120.172 120.172 119.489 0.683 17952 5980 1 12 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.075 0.072 17952 5981 1 12 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.220 0.830 17952 5982 1 12 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.561 0.257 17952 5983 1 12 . 1 1 114 114 ARG H H 114 7.870 7.870 7.507 0.363 17952 5984 1 12 . 1 1 115 115 LEU N N 115 120.720 120.720 119.622 1.098 17952 5985 1 12 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.175 -0.058 17952 5986 1 12 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.398 -0.036 17952 5987 1 12 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.999 -0.097 17952 5988 1 12 . 1 1 115 115 LEU H H 115 8.690 8.690 7.654 1.036 17952 5989 1 12 . 1 1 116 116 ALA N N 116 119.118 119.118 120.827 -1.709 17952 5990 1 12 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.138 0.229 17952 5991 1 12 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.933 0.155 17952 5992 1 12 . 1 1 116 116 ALA H H 116 7.751 7.751 8.371 -0.620 17952 5993 1 12 . 1 1 117 117 ARG N N 117 117.010 117.010 120.020 -3.010 17952 5994 1 12 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.349 0.039 17952 5995 1 12 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.488 1.558 17952 5996 1 12 . 1 1 117 117 ARG CB C 117 30.858 30.858 29.214 1.644 17952 5997 1 12 . 1 1 117 117 ARG H H 117 7.602 7.602 7.616 -0.014 17952 5998 1 12 . 1 1 118 118 GLY N N 118 108.836 108.836 110.110 -1.274 17952 5999 1 12 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.041 0.525 17952 6000 1 12 . 1 1 118 118 GLY H H 118 8.087 8.087 7.907 0.180 17952 6001 1 13 . 1 1 3 3 LYS CA C 3 56.191 56.191 56.554 -0.363 17952 6002 1 13 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.003 -1.037 17952 6003 1 13 . 1 1 4 4 LEU N N 4 125.667 125.667 123.748 1.919 17952 6004 1 13 . 1 1 4 4 LEU HA H 4 4.387 4.387 3.803 0.584 17952 6005 1 13 . 1 1 4 4 LEU CA C 4 54.667 54.667 56.209 -1.542 17952 6006 1 13 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.709 0.909 17952 6007 1 13 . 1 1 4 4 LEU H H 4 8.498 8.498 8.522 -0.024 17952 6008 1 13 . 1 1 5 5 ALA N N 5 126.419 126.419 120.245 6.174 17952 6009 1 13 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.353 0.018 17952 6010 1 13 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.834 -0.497 17952 6011 1 13 . 1 1 5 5 ALA H H 5 8.435 8.435 7.523 0.912 17952 6012 1 13 . 1 1 6 6 PHE N N 6 124.718 124.718 119.909 4.809 17952 6013 1 13 . 1 1 6 6 PHE H H 6 8.714 8.714 8.503 0.211 17952 6014 1 13 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.466 -0.230 17952 6015 1 13 . 1 1 7 7 PRO CA C 7 63.736 63.736 63.412 0.324 17952 6016 1 13 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.491 -0.089 17952 6017 1 13 . 1 1 8 8 ARG N N 8 124.351 124.351 121.923 2.428 17952 6018 1 13 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.221 -0.437 17952 6019 1 13 . 1 1 8 8 ARG CA C 8 59.972 59.972 57.416 2.556 17952 6020 1 13 . 1 1 8 8 ARG CB C 8 30.256 30.256 30.293 -0.036 17952 6021 1 13 . 1 1 8 8 ARG H H 8 8.650 8.650 8.660 -0.010 17952 6022 1 13 . 1 1 9 9 GLU N N 9 117.015 117.015 119.134 -2.119 17952 6023 1 13 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.262 -0.021 17952 6024 1 13 . 1 1 9 9 GLU CA C 9 58.536 58.536 57.672 0.864 17952 6025 1 13 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.605 -1.319 17952 6026 1 13 . 1 1 9 9 GLU H H 9 9.522 9.522 8.142 1.380 17952 6027 1 13 . 1 1 10 10 LEU N N 10 116.269 116.269 119.313 -3.044 17952 6028 1 13 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.393 0.289 17952 6029 1 13 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.777 -1.453 17952 6030 1 13 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.527 -0.222 17952 6031 1 13 . 1 1 10 10 LEU H H 10 7.285 7.285 7.543 -0.258 17952 6032 1 13 . 1 1 11 11 ARG N N 11 116.982 116.982 120.611 -3.629 17952 6033 1 13 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.407 0.638 17952 6034 1 13 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.294 0.377 17952 6035 1 13 . 1 1 11 11 ARG CB C 11 32.827 32.827 30.973 1.854 17952 6036 1 13 . 1 1 11 11 ARG H H 11 7.618 7.618 7.633 -0.015 17952 6037 1 13 . 1 1 12 12 LEU N N 12 119.127 119.127 125.238 -6.111 17952 6038 1 13 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.293 0.036 17952 6039 1 13 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.921 -0.806 17952 6040 1 13 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.626 -0.943 17952 6041 1 13 . 1 1 12 12 LEU H H 12 7.289 7.289 8.680 -1.391 17952 6042 1 13 . 1 1 13 13 LEU N N 13 123.181 123.181 124.352 -1.171 17952 6043 1 13 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.423 0.324 17952 6044 1 13 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.468 0.722 17952 6045 1 13 . 1 1 13 13 LEU CB C 13 46.234 46.234 40.791 5.443 17952 6046 1 13 . 1 1 13 13 LEU H H 13 8.816 8.816 8.504 0.312 17952 6047 1 13 . 1 1 14 14 THR N N 14 111.810 111.810 119.378 -7.568 17952 6048 1 13 . 1 1 14 14 THR HA H 14 5.104 5.104 4.829 0.275 17952 6049 1 13 . 1 1 14 14 THR H H 14 8.321 8.321 8.240 0.081 17952 6050 1 13 . 1 1 16 16 SER HA H 16 4.282 4.282 4.766 -0.484 17952 6051 1 13 . 1 1 16 16 SER CB C 16 62.228 62.228 65.957 -3.728 17952 6052 1 13 . 1 1 17 17 GLN N N 17 122.336 122.336 125.594 -3.258 17952 6053 1 13 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.125 -0.047 17952 6054 1 13 . 1 1 17 17 GLN CA C 17 58.122 58.122 59.488 -1.366 17952 6055 1 13 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.916 0.187 17952 6056 1 13 . 1 1 17 17 GLN H H 17 7.967 7.967 8.921 -0.954 17952 6057 1 13 . 1 1 18 18 PHE N N 18 119.658 119.658 120.786 -1.128 17952 6058 1 13 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.527 0.113 17952 6059 1 13 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.609 -0.119 17952 6060 1 13 . 1 1 18 18 PHE H H 18 7.733 7.733 8.488 -0.755 17952 6061 1 13 . 1 1 19 19 THR N N 19 116.141 116.141 113.764 2.377 17952 6062 1 13 . 1 1 19 19 THR HA H 19 3.911 3.911 4.261 -0.350 17952 6063 1 13 . 1 1 19 19 THR CA C 19 67.058 67.058 65.090 1.968 17952 6064 1 13 . 1 1 19 19 THR CB C 19 68.790 68.790 67.574 1.216 17952 6065 1 13 . 1 1 19 19 THR H H 19 8.622 8.622 8.494 0.128 17952 6066 1 13 . 1 1 20 20 PHE N N 20 119.904 119.904 122.316 -2.412 17952 6067 1 13 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.909 -0.760 17952 6068 1 13 . 1 1 20 20 PHE CB C 20 39.260 39.260 41.798 -2.538 17952 6069 1 13 . 1 1 20 20 PHE H H 20 7.728 7.728 8.184 -0.456 17952 6070 1 13 . 1 1 21 21 VAL N N 21 117.896 117.896 118.085 -0.189 17952 6071 1 13 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.963 -0.881 17952 6072 1 13 . 1 1 21 21 VAL CA C 21 66.336 66.336 65.151 1.185 17952 6073 1 13 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.257 0.332 17952 6074 1 13 . 1 1 21 21 VAL H H 21 6.861 6.861 8.776 -1.915 17952 6075 1 13 . 1 1 22 22 PHE N N 22 114.352 114.352 119.948 -5.596 17952 6076 1 13 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.209 -0.198 17952 6077 1 13 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.592 -0.007 17952 6078 1 13 . 1 1 22 22 PHE H H 22 7.653 7.653 7.770 -0.117 17952 6079 1 13 . 1 1 23 23 GLN N N 23 116.245 116.245 117.943 -1.698 17952 6080 1 13 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.956 0.077 17952 6081 1 13 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.809 0.606 17952 6082 1 13 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.967 -0.017 17952 6083 1 13 . 1 1 23 23 GLN H H 23 7.928 7.928 7.545 0.383 17952 6084 1 13 . 1 1 24 24 GLN N N 24 114.087 114.087 116.096 -2.009 17952 6085 1 13 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.622 -0.197 17952 6086 1 13 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.304 1.387 17952 6087 1 13 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.291 -0.834 17952 6088 1 13 . 1 1 24 24 GLN H H 24 6.731 6.731 7.558 -0.827 17952 6089 1 13 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.478 0.550 17952 6090 1 13 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.992 1.187 17952 6091 1 13 . 1 1 25 25 PRO CB C 25 32.577 32.577 31.922 0.655 17952 6092 1 13 . 1 1 26 26 GLN N N 26 120.107 120.107 123.699 -3.592 17952 6093 1 13 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.782 0.497 17952 6094 1 13 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.380 1.176 17952 6095 1 13 . 1 1 26 26 GLN H H 26 9.622 9.622 8.048 1.574 17952 6096 1 13 . 1 1 27 27 ARG N N 27 125.712 125.712 123.147 2.565 17952 6097 1 13 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.259 0.961 17952 6098 1 13 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.602 0.523 17952 6099 1 13 . 1 1 27 27 ARG CB C 27 34.641 34.641 28.920 5.721 17952 6100 1 13 . 1 1 27 27 ARG H H 27 9.068 9.068 8.493 0.575 17952 6101 1 13 . 1 1 28 28 ALA N N 28 123.402 123.402 126.652 -3.250 17952 6102 1 13 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.493 0.021 17952 6103 1 13 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.918 0.001 17952 6104 1 13 . 1 1 28 28 ALA H H 28 8.102 8.102 7.716 0.386 17952 6105 1 13 . 1 1 29 29 GLY N N 29 109.532 109.532 109.059 0.473 17952 6106 1 13 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.265 2.619 17952 6107 1 13 . 1 1 29 29 GLY H H 29 8.572 8.572 8.391 0.181 17952 6108 1 13 . 1 1 30 30 THR N N 30 113.168 113.168 115.561 -2.393 17952 6109 1 13 . 1 1 30 30 THR HA H 30 4.953 4.953 4.331 0.622 17952 6110 1 13 . 1 1 30 30 THR H H 30 9.199 9.199 8.558 0.641 17952 6111 1 13 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.235 0.062 17952 6112 1 13 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.624 -0.113 17952 6113 1 13 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.956 -0.973 17952 6114 1 13 . 1 1 32 32 GLN N N 32 110.281 110.281 115.255 -4.974 17952 6115 1 13 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.178 0.017 17952 6116 1 13 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.895 0.583 17952 6117 1 13 . 1 1 32 32 GLN CB C 32 28.996 28.996 28.729 0.267 17952 6118 1 13 . 1 1 32 32 GLN H H 32 7.403 7.403 8.675 -1.272 17952 6119 1 13 . 1 1 33 33 ILE N N 33 118.254 118.254 118.601 -0.347 17952 6120 1 13 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.153 0.087 17952 6121 1 13 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.639 3.152 17952 6122 1 13 . 1 1 33 33 ILE H H 33 7.353 7.353 7.901 -0.548 17952 6123 1 13 . 1 1 34 34 THR N N 34 122.650 122.650 125.805 -3.155 17952 6124 1 13 . 1 1 34 34 THR HA H 34 4.946 4.946 4.534 0.412 17952 6125 1 13 . 1 1 34 34 THR CA C 34 61.792 61.792 62.667 -0.875 17952 6126 1 13 . 1 1 34 34 THR CB C 34 71.752 71.752 68.927 2.825 17952 6127 1 13 . 1 1 34 34 THR H H 34 8.787 8.787 8.962 -0.175 17952 6128 1 13 . 1 1 35 35 ILE N N 35 123.778 123.778 129.117 -5.339 17952 6129 1 13 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.089 1.072 17952 6130 1 13 . 1 1 35 35 ILE CA C 35 61.713 61.713 61.285 0.428 17952 6131 1 13 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.001 3.042 17952 6132 1 13 . 1 1 35 35 ILE H H 35 9.109 9.109 8.120 0.989 17952 6133 1 13 . 1 1 36 36 LEU N N 36 132.558 132.558 129.854 2.704 17952 6134 1 13 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.557 1.077 17952 6135 1 13 . 1 1 36 36 LEU CA C 36 53.244 53.244 54.297 -1.054 17952 6136 1 13 . 1 1 36 36 LEU CB C 36 44.498 44.498 41.585 2.913 17952 6137 1 13 . 1 1 36 36 LEU H H 36 9.500 9.500 8.659 0.841 17952 6138 1 13 . 1 1 37 37 GLY N N 37 106.940 106.940 110.215 -3.275 17952 6139 1 13 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.098 1.160 17952 6140 1 13 . 1 1 37 37 GLY H H 37 9.058 9.058 7.991 1.067 17952 6141 1 13 . 1 1 38 38 ARG N N 38 121.378 121.378 125.035 -3.657 17952 6142 1 13 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.710 -0.058 17952 6143 1 13 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.831 0.454 17952 6144 1 13 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.694 1.482 17952 6145 1 13 . 1 1 38 38 ARG H H 38 8.384 8.384 8.809 -0.425 17952 6146 1 13 . 1 1 39 39 LEU N N 39 129.596 129.596 124.032 5.564 17952 6147 1 13 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.586 0.887 17952 6148 1 13 . 1 1 39 39 LEU H H 39 9.030 9.030 8.521 0.509 17952 6149 1 13 . 1 1 40 40 ASN N N 40 119.921 119.921 123.397 -3.476 17952 6150 1 13 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.166 -0.620 17952 6151 1 13 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.533 0.555 17952 6152 1 13 . 1 1 40 40 ASN H H 40 8.186 8.186 8.143 0.043 17952 6153 1 13 . 1 1 41 41 SER N N 41 112.600 112.600 113.378 -0.778 17952 6154 1 13 . 1 1 41 41 SER HA H 41 4.484 4.484 4.760 -0.276 17952 6155 1 13 . 1 1 41 41 SER CB C 41 62.949 62.949 63.292 -0.343 17952 6156 1 13 . 1 1 41 41 SER H H 41 8.646 8.646 8.487 0.159 17952 6157 1 13 . 1 1 42 42 LEU N N 42 120.612 120.612 121.535 -0.923 17952 6158 1 13 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.422 -0.088 17952 6159 1 13 . 1 1 42 42 LEU CA C 42 54.828 54.828 56.067 -1.239 17952 6160 1 13 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.617 1.097 17952 6161 1 13 . 1 1 42 42 LEU H H 42 8.538 8.538 8.361 0.177 17952 6162 1 13 . 1 1 43 43 GLY N N 43 105.922 105.922 106.788 -0.866 17952 6163 1 13 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.440 -0.169 17952 6164 1 13 . 1 1 43 43 GLY H H 43 8.317 8.317 8.050 0.267 17952 6165 1 13 . 1 1 44 44 HIS N N 44 114.144 114.144 119.311 -5.167 17952 6166 1 13 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.710 0.355 17952 6167 1 13 . 1 1 44 44 HIS H H 44 7.145 7.145 7.802 -0.657 17952 6168 1 13 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.462 0.941 17952 6169 1 13 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.124 -0.563 17952 6170 1 13 . 1 1 45 45 PRO CB C 45 33.097 33.097 30.616 2.481 17952 6171 1 13 . 1 1 46 46 ARG N N 46 116.294 116.294 120.726 -4.432 17952 6172 1 13 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.449 0.707 17952 6173 1 13 . 1 1 46 46 ARG CA C 46 56.154 56.154 53.924 2.230 17952 6174 1 13 . 1 1 46 46 ARG CB C 46 37.970 37.970 28.483 9.486 17952 6175 1 13 . 1 1 46 46 ARG H H 46 8.919 8.919 8.099 0.820 17952 6176 1 13 . 1 1 47 47 ILE N N 47 117.069 117.069 125.067 -7.998 17952 6177 1 13 . 1 1 47 47 ILE HA H 47 5.684 5.684 3.944 1.740 17952 6178 1 13 . 1 1 47 47 ILE CA C 47 58.820 58.820 61.322 -2.502 17952 6179 1 13 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.630 3.082 17952 6180 1 13 . 1 1 47 47 ILE H H 47 9.106 9.106 7.818 1.288 17952 6181 1 13 . 1 1 48 48 GLY N N 48 116.903 116.903 118.314 -1.411 17952 6182 1 13 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.068 0.461 17952 6183 1 13 . 1 1 48 48 GLY H H 48 9.276 9.276 8.402 0.874 17952 6184 1 13 . 1 1 49 49 LEU N N 49 123.729 123.729 127.955 -4.226 17952 6185 1 13 . 1 1 49 49 LEU HA H 49 5.441 5.441 5.131 0.310 17952 6186 1 13 . 1 1 49 49 LEU CA C 49 54.362 54.362 53.808 0.554 17952 6187 1 13 . 1 1 49 49 LEU CB C 49 45.545 45.545 44.380 1.165 17952 6188 1 13 . 1 1 49 49 LEU H H 49 8.957 8.957 8.450 0.507 17952 6189 1 13 . 1 1 50 50 THR N N 50 120.870 120.870 124.648 -3.778 17952 6190 1 13 . 1 1 50 50 THR HA H 50 4.616 4.616 4.648 -0.032 17952 6191 1 13 . 1 1 50 50 THR H H 50 9.419 9.419 9.249 0.170 17952 6192 1 13 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.375 -0.019 17952 6193 1 13 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.769 -0.659 17952 6194 1 13 . 1 1 51 51 VAL CB C 51 32.291 32.291 34.126 -1.835 17952 6195 1 13 . 1 1 52 52 ALA N N 52 129.415 129.415 128.665 0.750 17952 6196 1 13 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.418 -2.106 17952 6197 1 13 . 1 1 52 52 ALA H H 52 9.046 9.046 8.067 0.979 17952 6198 1 13 . 1 1 53 53 LYS N N 53 125.023 125.023 119.201 5.822 17952 6199 1 13 . 1 1 53 53 LYS HA H 53 4.089 4.089 3.958 0.131 17952 6200 1 13 . 1 1 53 53 LYS CA C 53 58.735 58.735 59.680 -0.945 17952 6201 1 13 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.461 -0.365 17952 6202 1 13 . 1 1 53 53 LYS H H 53 8.811 8.811 8.545 0.266 17952 6203 1 13 . 1 1 54 54 LYS N N 54 114.126 114.126 114.000 0.126 17952 6204 1 13 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.195 -0.154 17952 6205 1 13 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.924 0.029 17952 6206 1 13 . 1 1 54 54 LYS CB C 54 31.930 31.930 31.867 0.063 17952 6207 1 13 . 1 1 54 54 LYS H H 54 8.073 8.073 8.300 -0.227 17952 6208 1 13 . 1 1 55 55 ASN N N 55 115.234 115.234 117.294 -2.060 17952 6209 1 13 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.785 0.073 17952 6210 1 13 . 1 1 55 55 ASN CA C 55 53.777 53.777 55.526 -1.749 17952 6211 1 13 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.818 -0.289 17952 6212 1 13 . 1 1 55 55 ASN H H 55 7.434 7.434 7.556 -0.122 17952 6213 1 13 . 1 1 56 56 VAL N N 56 121.000 121.000 118.836 2.164 17952 6214 1 13 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.289 -0.116 17952 6215 1 13 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.169 0.592 17952 6216 1 13 . 1 1 56 56 VAL CB C 56 33.033 33.033 33.274 -0.241 17952 6217 1 13 . 1 1 56 56 VAL H H 56 7.764 7.764 8.104 -0.340 17952 6218 1 13 . 1 1 57 57 ARG N N 57 125.781 125.781 126.412 -0.631 17952 6219 1 13 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.397 -0.197 17952 6220 1 13 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.865 1.781 17952 6221 1 13 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.758 0.246 17952 6222 1 13 . 1 1 57 57 ARG H H 57 8.441 8.441 8.559 -0.118 17952 6223 1 13 . 1 1 58 58 ARG N N 58 118.159 118.159 118.887 -0.728 17952 6224 1 13 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.522 0.072 17952 6225 1 13 . 1 1 58 58 ARG H H 58 8.250 8.250 7.895 0.355 17952 6226 1 13 . 1 1 60 60 HIS N N 60 116.957 116.957 116.293 0.664 17952 6227 1 13 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.311 0.124 17952 6228 1 13 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.703 -0.098 17952 6229 1 13 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.514 0.433 17952 6230 1 13 . 1 1 60 60 HIS H H 60 7.600 7.600 8.709 -1.109 17952 6231 1 13 . 1 1 61 61 GLU N N 61 119.542 119.542 118.524 1.018 17952 6232 1 13 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.238 0.191 17952 6233 1 13 . 1 1 61 61 GLU CA C 61 57.628 57.628 58.563 -0.935 17952 6234 1 13 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.890 0.915 17952 6235 1 13 . 1 1 61 61 GLU H H 61 6.702 6.702 7.907 -1.205 17952 6236 1 13 . 1 1 62 62 ARG N N 62 120.227 120.227 119.993 0.234 17952 6237 1 13 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.078 -0.345 17952 6238 1 13 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.474 2.057 17952 6239 1 13 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.956 -0.344 17952 6240 1 13 . 1 1 62 62 ARG H H 62 7.951 7.951 7.737 0.214 17952 6241 1 13 . 1 1 63 63 ASN N N 63 116.757 116.757 117.322 -0.565 17952 6242 1 13 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.567 -0.133 17952 6243 1 13 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.496 0.712 17952 6244 1 13 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.025 -0.200 17952 6245 1 13 . 1 1 63 63 ASN H H 63 8.365 8.365 7.842 0.523 17952 6246 1 13 . 1 1 64 64 ARG N N 64 123.093 123.093 120.355 2.738 17952 6247 1 13 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.066 -0.010 17952 6248 1 13 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.963 1.175 17952 6249 1 13 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.031 0.801 17952 6250 1 13 . 1 1 64 64 ARG H H 64 7.770 7.770 7.760 0.010 17952 6251 1 13 . 1 1 65 65 ILE N N 65 117.911 117.911 118.877 -0.966 17952 6252 1 13 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.934 -0.409 17952 6253 1 13 . 1 1 65 65 ILE CA C 65 64.715 64.715 62.819 1.895 17952 6254 1 13 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.781 0.864 17952 6255 1 13 . 1 1 65 65 ILE H H 65 8.121 8.121 8.008 0.113 17952 6256 1 13 . 1 1 66 66 LYS N N 66 122.635 122.635 118.361 4.274 17952 6257 1 13 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.151 -0.380 17952 6258 1 13 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.060 1.875 17952 6259 1 13 . 1 1 66 66 LYS CB C 66 32.424 32.424 31.996 0.428 17952 6260 1 13 . 1 1 66 66 LYS H H 66 8.337 8.337 7.578 0.759 17952 6261 1 13 . 1 1 67 67 ARG N N 67 119.137 119.137 119.787 -0.650 17952 6262 1 13 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.287 -0.279 17952 6263 1 13 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.639 1.351 17952 6264 1 13 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.567 -0.532 17952 6265 1 13 . 1 1 67 67 ARG H H 67 8.257 8.257 7.624 0.633 17952 6266 1 13 . 1 1 68 68 LEU N N 68 119.084 119.084 121.659 -2.575 17952 6267 1 13 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.020 0.088 17952 6268 1 13 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.726 -0.704 17952 6269 1 13 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.544 0.058 17952 6270 1 13 . 1 1 68 68 LEU H H 68 8.427 8.427 8.279 0.148 17952 6271 1 13 . 1 1 69 69 THR N N 69 118.019 118.019 109.629 8.390 17952 6272 1 13 . 1 1 69 69 THR CA C 69 67.701 67.701 65.203 2.498 17952 6273 1 13 . 1 1 69 69 THR H H 69 8.433 8.433 7.804 0.629 17952 6274 1 13 . 1 1 70 70 ARG N N 70 122.713 122.713 122.295 0.418 17952 6275 1 13 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.252 2.158 17952 6276 1 13 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.187 -0.137 17952 6277 1 13 . 1 1 70 70 ARG H H 70 8.346 8.346 8.228 0.118 17952 6278 1 13 . 1 1 71 71 GLU N N 71 118.890 118.890 118.587 0.303 17952 6279 1 13 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.179 0.087 17952 6280 1 13 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.156 0.325 17952 6281 1 13 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.647 -0.331 17952 6282 1 13 . 1 1 71 71 GLU H H 71 8.334 8.334 8.573 -0.239 17952 6283 1 13 . 1 1 72 72 SER N N 72 114.922 114.922 114.514 0.408 17952 6284 1 13 . 1 1 72 72 SER HA H 72 4.243 4.243 4.276 -0.033 17952 6285 1 13 . 1 1 72 72 SER CA C 72 61.292 61.292 60.668 0.624 17952 6286 1 13 . 1 1 72 72 SER CB C 72 63.065 63.065 63.715 -0.650 17952 6287 1 13 . 1 1 72 72 SER H H 72 8.205 8.205 7.636 0.569 17952 6288 1 13 . 1 1 73 73 PHE N N 73 122.665 122.665 123.163 -0.498 17952 6289 1 13 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.254 -1.145 17952 6290 1 13 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.845 0.690 17952 6291 1 13 . 1 1 73 73 PHE H H 73 7.788 7.788 8.810 -1.022 17952 6292 1 13 . 1 1 74 74 ARG N N 74 119.417 119.417 118.797 0.620 17952 6293 1 13 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.281 -0.384 17952 6294 1 13 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.484 0.717 17952 6295 1 13 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.067 -0.085 17952 6296 1 13 . 1 1 74 74 ARG H H 74 8.580 8.580 7.857 0.723 17952 6297 1 13 . 1 1 75 75 LEU N N 75 117.144 117.144 118.659 -1.515 17952 6298 1 13 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.355 -0.259 17952 6299 1 13 . 1 1 75 75 LEU CA C 75 57.217 57.217 54.910 2.307 17952 6300 1 13 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.322 0.466 17952 6301 1 13 . 1 1 75 75 LEU H H 75 7.903 7.903 7.462 0.441 17952 6302 1 13 . 1 1 76 76 ARG N N 76 113.888 113.888 118.502 -4.614 17952 6303 1 13 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.549 -0.126 17952 6304 1 13 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.163 -0.676 17952 6305 1 13 . 1 1 76 76 ARG CB C 76 31.867 31.867 30.229 1.638 17952 6306 1 13 . 1 1 76 76 ARG H H 76 6.736 6.736 7.434 -0.698 17952 6307 1 13 . 1 1 77 77 GLN N N 77 120.009 120.009 119.038 0.971 17952 6308 1 13 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.727 1.529 17952 6309 1 13 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.359 0.229 17952 6310 1 13 . 1 1 77 77 GLN H H 77 7.273 7.273 7.834 -0.561 17952 6311 1 13 . 1 1 78 78 HIS N N 78 114.954 114.954 116.357 -1.403 17952 6312 1 13 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.632 -0.187 17952 6313 1 13 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.687 1.113 17952 6314 1 13 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.587 -0.185 17952 6315 1 13 . 1 1 78 78 HIS H H 78 8.389 8.389 8.322 0.067 17952 6316 1 13 . 1 1 79 79 GLU N N 79 118.231 118.231 118.712 -0.481 17952 6317 1 13 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.634 -0.227 17952 6318 1 13 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.340 0.052 17952 6319 1 13 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.274 1.022 17952 6320 1 13 . 1 1 79 79 GLU H H 79 7.717 7.717 8.041 -0.324 17952 6321 1 13 . 1 1 80 80 LEU N N 80 119.751 119.751 120.779 -1.028 17952 6322 1 13 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.885 -0.331 17952 6323 1 13 . 1 1 80 80 LEU H H 80 6.859 6.859 7.415 -0.556 17952 6324 1 13 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.489 0.082 17952 6325 1 13 . 1 1 81 81 PRO CA C 81 61.725 61.725 63.080 -1.355 17952 6326 1 13 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.269 0.063 17952 6327 1 13 . 1 1 82 82 ALA N N 82 122.525 122.525 130.348 -7.823 17952 6328 1 13 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.394 -0.636 17952 6329 1 13 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.269 -2.361 17952 6330 1 13 . 1 1 82 82 ALA H H 82 8.425 8.425 8.499 -0.074 17952 6331 1 13 . 1 1 83 83 MET N N 83 122.963 122.963 121.351 1.612 17952 6332 1 13 . 1 1 83 83 MET HA H 83 4.387 4.387 4.589 -0.202 17952 6333 1 13 . 1 1 83 83 MET CA C 83 54.002 54.002 53.721 0.281 17952 6334 1 13 . 1 1 83 83 MET CB C 83 35.655 35.655 37.140 -1.485 17952 6335 1 13 . 1 1 83 83 MET H H 83 7.851 7.851 7.833 0.018 17952 6336 1 13 . 1 1 84 84 ASP N N 84 121.733 121.733 121.042 0.691 17952 6337 1 13 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.389 0.363 17952 6338 1 13 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.283 0.355 17952 6339 1 13 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.421 0.569 17952 6340 1 13 . 1 1 84 84 ASP H H 84 8.393 8.393 8.210 0.183 17952 6341 1 13 . 1 1 85 85 PHE N N 85 121.368 121.368 117.908 3.460 17952 6342 1 13 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.796 1.160 17952 6343 1 13 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.306 -0.226 17952 6344 1 13 . 1 1 85 85 PHE H H 85 8.849 8.849 8.215 0.634 17952 6345 1 13 . 1 1 86 86 VAL N N 86 120.431 120.431 121.150 -0.719 17952 6346 1 13 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.925 -0.309 17952 6347 1 13 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.233 0.641 17952 6348 1 13 . 1 1 86 86 VAL CB C 86 34.882 34.882 34.010 0.872 17952 6349 1 13 . 1 1 86 86 VAL H H 86 9.407 9.407 8.604 0.803 17952 6350 1 13 . 1 1 87 87 VAL N N 87 127.860 127.860 130.297 -2.437 17952 6351 1 13 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.429 0.188 17952 6352 1 13 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.714 -0.294 17952 6353 1 13 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.443 -0.320 17952 6354 1 13 . 1 1 87 87 VAL H H 87 8.843 8.843 9.332 -0.489 17952 6355 1 13 . 1 1 88 88 VAL N N 88 128.150 128.150 128.983 -0.833 17952 6356 1 13 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.559 0.096 17952 6357 1 13 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.874 0.391 17952 6358 1 13 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.185 1.254 17952 6359 1 13 . 1 1 88 88 VAL H H 88 9.538 9.538 9.148 0.390 17952 6360 1 13 . 1 1 89 89 ALA N N 89 128.337 128.337 132.277 -3.940 17952 6361 1 13 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.416 0.188 17952 6362 1 13 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.724 1.147 17952 6363 1 13 . 1 1 89 89 ALA H H 89 8.170 8.170 8.320 -0.150 17952 6364 1 13 . 1 1 90 90 LYS N N 90 123.110 123.110 124.401 -1.291 17952 6365 1 13 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.561 -0.084 17952 6366 1 13 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.338 1.772 17952 6367 1 13 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.082 -0.627 17952 6368 1 13 . 1 1 90 90 LYS H H 90 8.231 8.231 8.659 -0.428 17952 6369 1 13 . 1 1 91 91 LYS N N 91 119.291 119.291 121.538 -2.247 17952 6370 1 13 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.337 -0.289 17952 6371 1 13 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.719 1.452 17952 6372 1 13 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.968 0.251 17952 6373 1 13 . 1 1 91 91 LYS H H 91 8.162 8.162 8.727 -0.565 17952 6374 1 13 . 1 1 92 92 GLY N N 92 112.991 112.991 113.835 -0.844 17952 6375 1 13 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.581 -0.445 17952 6376 1 13 . 1 1 92 92 GLY H H 92 8.783 8.783 8.196 0.587 17952 6377 1 13 . 1 1 93 93 VAL N N 93 122.937 122.937 123.953 -1.016 17952 6378 1 13 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.861 -0.131 17952 6379 1 13 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.831 0.080 17952 6380 1 13 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.884 -1.886 17952 6381 1 13 . 1 1 93 93 VAL H H 93 8.363 8.363 7.660 0.703 17952 6382 1 13 . 1 1 94 94 ALA N N 94 119.882 119.882 119.242 0.640 17952 6383 1 13 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.264 -0.168 17952 6384 1 13 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.203 -0.534 17952 6385 1 13 . 1 1 94 94 ALA H H 94 7.960 7.960 8.386 -0.426 17952 6386 1 13 . 1 1 95 95 ASP N N 95 114.705 114.705 119.920 -5.215 17952 6387 1 13 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.818 -0.326 17952 6388 1 13 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.565 1.296 17952 6389 1 13 . 1 1 95 95 ASP CB C 95 40.883 40.883 39.965 0.918 17952 6390 1 13 . 1 1 95 95 ASP H H 95 7.360 7.360 7.773 -0.413 17952 6391 1 13 . 1 1 96 96 LEU N N 96 120.424 120.424 121.741 -1.317 17952 6392 1 13 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.552 -0.094 17952 6393 1 13 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.636 0.721 17952 6394 1 13 . 1 1 96 96 LEU CB C 96 42.433 42.433 45.853 -3.420 17952 6395 1 13 . 1 1 96 96 LEU H H 96 7.389 7.389 7.740 -0.351 17952 6396 1 13 . 1 1 97 97 ASP N N 97 123.018 123.018 121.220 1.798 17952 6397 1 13 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.626 -0.096 17952 6398 1 13 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.433 -1.598 17952 6399 1 13 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.288 -1.786 17952 6400 1 13 . 1 1 97 97 ASP H H 97 8.473 8.473 8.331 0.142 17952 6401 1 13 . 1 1 98 98 ASN N N 98 117.692 117.692 120.894 -3.202 17952 6402 1 13 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.432 -0.296 17952 6403 1 13 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.302 0.563 17952 6404 1 13 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.788 -1.848 17952 6405 1 13 . 1 1 98 98 ASN H H 98 8.651 8.651 8.701 -0.050 17952 6406 1 13 . 1 1 99 99 ARG N N 99 120.819 120.819 119.149 1.670 17952 6407 1 13 . 1 1 99 99 ARG HA H 99 4.053 4.053 3.993 0.060 17952 6408 1 13 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.824 0.674 17952 6409 1 13 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.132 -0.815 17952 6410 1 13 . 1 1 99 99 ARG H H 99 8.191 8.191 8.402 -0.211 17952 6411 1 13 . 1 1 100 100 ALA N N 100 122.928 122.928 121.188 1.740 17952 6412 1 13 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.223 -0.071 17952 6413 1 13 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.336 0.713 17952 6414 1 13 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.205 0.792 17952 6415 1 13 . 1 1 100 100 ALA H H 100 8.524 8.524 7.267 1.257 17952 6416 1 13 . 1 1 101 101 LEU N N 101 120.795 120.795 119.042 1.753 17952 6417 1 13 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.941 0.157 17952 6418 1 13 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.806 0.429 17952 6419 1 13 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.396 0.113 17952 6420 1 13 . 1 1 101 101 LEU H H 101 8.961 8.961 7.896 1.065 17952 6421 1 13 . 1 1 102 102 SER N N 102 115.314 115.314 113.557 1.757 17952 6422 1 13 . 1 1 102 102 SER HA H 102 4.123 4.123 4.140 -0.017 17952 6423 1 13 . 1 1 102 102 SER CB C 102 62.761 62.761 62.582 0.179 17952 6424 1 13 . 1 1 102 102 SER H H 102 8.459 8.459 7.832 0.627 17952 6425 1 13 . 1 1 103 103 GLU N N 103 122.468 122.468 120.617 1.851 17952 6426 1 13 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.112 0.018 17952 6427 1 13 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.788 0.680 17952 6428 1 13 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.467 0.061 17952 6429 1 13 . 1 1 103 103 GLU H H 103 8.492 8.492 7.445 1.047 17952 6430 1 13 . 1 1 104 104 ALA N N 104 123.159 123.159 122.389 0.770 17952 6431 1 13 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.141 -0.051 17952 6432 1 13 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.842 0.400 17952 6433 1 13 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.389 -0.562 17952 6434 1 13 . 1 1 104 104 ALA H H 104 8.074 8.074 8.207 -0.133 17952 6435 1 13 . 1 1 105 105 LEU N N 105 116.602 116.602 117.801 -1.199 17952 6436 1 13 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.899 -0.347 17952 6437 1 13 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.714 0.690 17952 6438 1 13 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.661 -0.042 17952 6439 1 13 . 1 1 105 105 LEU H H 105 8.318 8.318 7.626 0.692 17952 6440 1 13 . 1 1 106 106 GLU N N 106 117.564 117.564 118.172 -0.608 17952 6441 1 13 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.339 -0.107 17952 6442 1 13 . 1 1 106 106 GLU CA C 106 60.416 60.416 58.843 1.573 17952 6443 1 13 . 1 1 106 106 GLU CB C 106 28.925 28.925 29.266 -0.341 17952 6444 1 13 . 1 1 106 106 GLU H H 106 8.009 8.009 8.032 -0.023 17952 6445 1 13 . 1 1 107 107 LYS N N 107 117.286 117.286 120.196 -2.910 17952 6446 1 13 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.173 -0.199 17952 6447 1 13 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.485 1.422 17952 6448 1 13 . 1 1 107 107 LYS CB C 107 32.381 32.381 32.078 0.303 17952 6449 1 13 . 1 1 107 107 LYS H H 107 7.787 7.787 7.739 0.048 17952 6450 1 13 . 1 1 108 108 LEU N N 108 120.504 120.504 113.816 6.688 17952 6451 1 13 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.512 -0.533 17952 6452 1 13 . 1 1 108 108 LEU CA C 108 57.817 57.817 56.325 1.492 17952 6453 1 13 . 1 1 108 108 LEU CB C 108 42.300 42.300 40.603 1.697 17952 6454 1 13 . 1 1 108 108 LEU H H 108 7.875 7.875 7.602 0.273 17952 6455 1 13 . 1 1 109 109 TRP N N 109 120.547 120.547 122.056 -1.509 17952 6456 1 13 . 1 1 109 109 TRP CA C 109 59.887 59.887 59.528 0.359 17952 6457 1 13 . 1 1 109 109 TRP CB C 109 30.763 30.763 31.657 -0.894 17952 6458 1 13 . 1 1 109 109 TRP H H 109 9.048 9.048 7.958 1.090 17952 6459 1 13 . 1 1 110 110 ARG N N 110 117.678 117.678 120.335 -2.657 17952 6460 1 13 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.492 0.582 17952 6461 1 13 . 1 1 110 110 ARG CA C 110 60.243 60.243 60.391 -0.148 17952 6462 1 13 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.817 -0.176 17952 6463 1 13 . 1 1 110 110 ARG H H 110 8.425 8.425 8.823 -0.398 17952 6464 1 13 . 1 1 111 111 ARG N N 111 121.156 121.156 118.407 2.749 17952 6465 1 13 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.030 0.145 17952 6466 1 13 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.534 0.534 17952 6467 1 13 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.399 -0.329 17952 6468 1 13 . 1 1 111 111 ARG H H 111 8.100 8.100 7.848 0.252 17952 6469 1 13 . 1 1 112 112 HIS N N 112 118.118 118.118 118.255 -0.137 17952 6470 1 13 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.326 -0.023 17952 6471 1 13 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.309 2.226 17952 6472 1 13 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.103 1.814 17952 6473 1 13 . 1 1 112 112 HIS H H 112 8.250 8.250 7.860 0.390 17952 6474 1 13 . 1 1 113 113 CYS N N 113 117.579 117.579 117.696 -0.117 17952 6475 1 13 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.132 0.132 17952 6476 1 13 . 1 1 113 113 CYS CA C 113 64.136 64.136 62.675 1.461 17952 6477 1 13 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.869 -1.085 17952 6478 1 13 . 1 1 113 113 CYS H H 113 8.181 8.181 8.344 -0.163 17952 6479 1 13 . 1 1 114 114 ARG N N 114 120.172 120.172 120.360 -0.188 17952 6480 1 13 . 1 1 114 114 ARG HA H 114 4.147 4.147 3.972 0.175 17952 6481 1 13 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.691 0.359 17952 6482 1 13 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.342 0.476 17952 6483 1 13 . 1 1 114 114 ARG H H 114 7.870 7.870 8.032 -0.162 17952 6484 1 13 . 1 1 115 115 LEU N N 115 120.720 120.720 119.209 1.511 17952 6485 1 13 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.182 -0.065 17952 6486 1 13 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.432 -0.070 17952 6487 1 13 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.857 0.045 17952 6488 1 13 . 1 1 115 115 LEU H H 115 8.690 8.690 7.699 0.991 17952 6489 1 13 . 1 1 116 116 ALA N N 116 119.118 119.118 120.743 -1.625 17952 6490 1 13 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.094 0.273 17952 6491 1 13 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.555 0.533 17952 6492 1 13 . 1 1 116 116 ALA H H 116 7.751 7.751 7.428 0.323 17952 6493 1 13 . 1 1 117 117 ARG N N 117 117.010 117.010 117.229 -0.219 17952 6494 1 13 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.252 0.136 17952 6495 1 13 . 1 1 117 117 ARG CA C 117 57.046 57.046 56.820 0.226 17952 6496 1 13 . 1 1 117 117 ARG CB C 117 30.858 30.858 31.705 -0.847 17952 6497 1 13 . 1 1 117 117 ARG H H 117 7.602 7.602 7.992 -0.390 17952 6498 1 13 . 1 1 118 118 GLY N N 118 108.836 108.836 107.051 1.785 17952 6499 1 13 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.285 0.281 17952 6500 1 13 . 1 1 118 118 GLY H H 118 8.087 8.087 8.188 -0.101 17952 6501 1 14 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.384 0.807 17952 6502 1 14 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.058 -1.092 17952 6503 1 14 . 1 1 4 4 LEU N N 4 125.667 125.667 123.075 2.592 17952 6504 1 14 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.507 -0.120 17952 6505 1 14 . 1 1 4 4 LEU CA C 4 54.667 54.667 54.798 -0.132 17952 6506 1 14 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.892 0.726 17952 6507 1 14 . 1 1 4 4 LEU H H 4 8.498 8.498 8.480 0.018 17952 6508 1 14 . 1 1 5 5 ALA N N 5 126.419 126.419 130.018 -3.599 17952 6509 1 14 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.511 -0.140 17952 6510 1 14 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.831 -0.494 17952 6511 1 14 . 1 1 5 5 ALA H H 5 8.435 8.435 8.427 0.008 17952 6512 1 14 . 1 1 6 6 PHE N N 6 124.718 124.718 118.756 5.962 17952 6513 1 14 . 1 1 6 6 PHE H H 6 8.714 8.714 7.685 1.029 17952 6514 1 14 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.595 -0.359 17952 6515 1 14 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.880 0.856 17952 6516 1 14 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.803 -0.402 17952 6517 1 14 . 1 1 8 8 ARG N N 8 124.351 124.351 122.198 2.153 17952 6518 1 14 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.199 -0.415 17952 6519 1 14 . 1 1 8 8 ARG CA C 8 59.972 59.972 57.663 2.309 17952 6520 1 14 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.877 0.379 17952 6521 1 14 . 1 1 8 8 ARG H H 8 8.650 8.650 8.815 -0.165 17952 6522 1 14 . 1 1 9 9 GLU N N 9 117.015 117.015 120.178 -3.163 17952 6523 1 14 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.379 -0.138 17952 6524 1 14 . 1 1 9 9 GLU CA C 9 58.536 58.536 57.228 1.308 17952 6525 1 14 . 1 1 9 9 GLU CB C 9 28.286 28.286 28.308 -0.022 17952 6526 1 14 . 1 1 9 9 GLU H H 9 9.522 9.522 8.666 0.856 17952 6527 1 14 . 1 1 10 10 LEU N N 10 116.269 116.269 120.248 -3.979 17952 6528 1 14 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.297 0.385 17952 6529 1 14 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.668 -2.344 17952 6530 1 14 . 1 1 10 10 LEU CB C 10 42.305 42.305 41.624 0.681 17952 6531 1 14 . 1 1 10 10 LEU H H 10 7.285 7.285 7.640 -0.355 17952 6532 1 14 . 1 1 11 11 ARG N N 11 116.982 116.982 116.203 0.779 17952 6533 1 14 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.148 0.897 17952 6534 1 14 . 1 1 11 11 ARG CA C 11 55.671 55.671 57.843 -2.172 17952 6535 1 14 . 1 1 11 11 ARG CB C 11 32.827 32.827 30.442 2.385 17952 6536 1 14 . 1 1 11 11 ARG H H 11 7.618 7.618 7.531 0.087 17952 6537 1 14 . 1 1 12 12 LEU N N 12 119.127 119.127 122.031 -2.904 17952 6538 1 14 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.405 -0.076 17952 6539 1 14 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.760 0.355 17952 6540 1 14 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.572 -0.889 17952 6541 1 14 . 1 1 12 12 LEU H H 12 7.289 7.289 7.542 -0.253 17952 6542 1 14 . 1 1 13 13 LEU N N 13 123.181 123.181 127.530 -4.349 17952 6543 1 14 . 1 1 13 13 LEU HA H 13 4.747 4.747 3.732 1.015 17952 6544 1 14 . 1 1 13 13 LEU CA C 13 56.190 56.190 53.728 2.462 17952 6545 1 14 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.750 4.484 17952 6546 1 14 . 1 1 13 13 LEU H H 13 8.816 8.816 8.387 0.429 17952 6547 1 14 . 1 1 14 14 THR N N 14 111.810 111.810 116.787 -4.977 17952 6548 1 14 . 1 1 14 14 THR HA H 14 5.104 5.104 4.504 0.600 17952 6549 1 14 . 1 1 14 14 THR H H 14 8.321 8.321 7.267 1.054 17952 6550 1 14 . 1 1 16 16 SER HA H 16 4.282 4.282 4.549 -0.267 17952 6551 1 14 . 1 1 16 16 SER CB C 16 62.228 62.228 62.726 -0.498 17952 6552 1 14 . 1 1 17 17 GLN N N 17 122.336 122.336 126.075 -3.739 17952 6553 1 14 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.258 -0.180 17952 6554 1 14 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.800 -0.677 17952 6555 1 14 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.906 0.197 17952 6556 1 14 . 1 1 17 17 GLN H H 17 7.967 7.967 8.923 -0.956 17952 6557 1 14 . 1 1 18 18 PHE N N 18 119.658 119.658 119.721 -0.063 17952 6558 1 14 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.041 0.599 17952 6559 1 14 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.994 -0.504 17952 6560 1 14 . 1 1 18 18 PHE H H 18 7.733 7.733 8.466 -0.733 17952 6561 1 14 . 1 1 19 19 THR N N 19 116.141 116.141 115.284 0.857 17952 6562 1 14 . 1 1 19 19 THR HA H 19 3.911 3.911 4.191 -0.280 17952 6563 1 14 . 1 1 19 19 THR CA C 19 67.058 67.058 64.814 2.244 17952 6564 1 14 . 1 1 19 19 THR CB C 19 68.790 68.790 69.559 -0.769 17952 6565 1 14 . 1 1 19 19 THR H H 19 8.622 8.622 7.869 0.753 17952 6566 1 14 . 1 1 20 20 PHE N N 20 119.904 119.904 123.952 -4.048 17952 6567 1 14 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.429 -0.280 17952 6568 1 14 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.007 0.253 17952 6569 1 14 . 1 1 20 20 PHE H H 20 7.728 7.728 7.882 -0.154 17952 6570 1 14 . 1 1 21 21 VAL N N 21 117.896 117.896 113.208 4.688 17952 6571 1 14 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.929 -0.847 17952 6572 1 14 . 1 1 21 21 VAL CA C 21 66.336 66.336 63.014 3.322 17952 6573 1 14 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.517 0.072 17952 6574 1 14 . 1 1 21 21 VAL H H 21 6.861 6.861 7.757 -0.896 17952 6575 1 14 . 1 1 22 22 PHE N N 22 114.352 114.352 119.348 -4.996 17952 6576 1 14 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.434 -0.423 17952 6577 1 14 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.101 -0.516 17952 6578 1 14 . 1 1 22 22 PHE H H 22 7.653 7.653 7.637 0.016 17952 6579 1 14 . 1 1 23 23 GLN N N 23 116.245 116.245 118.575 -2.330 17952 6580 1 14 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.172 -0.139 17952 6581 1 14 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.652 0.763 17952 6582 1 14 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.341 -0.391 17952 6583 1 14 . 1 1 23 23 GLN H H 23 7.928 7.928 8.237 -0.309 17952 6584 1 14 . 1 1 24 24 GLN N N 24 114.087 114.087 117.991 -3.904 17952 6585 1 14 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.683 -0.258 17952 6586 1 14 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.523 1.168 17952 6587 1 14 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.028 -0.571 17952 6588 1 14 . 1 1 24 24 GLN H H 24 6.731 6.731 8.078 -1.347 17952 6589 1 14 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.952 0.076 17952 6590 1 14 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.849 1.330 17952 6591 1 14 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.306 0.271 17952 6592 1 14 . 1 1 26 26 GLN N N 26 120.107 120.107 124.484 -4.377 17952 6593 1 14 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.036 0.243 17952 6594 1 14 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.551 1.005 17952 6595 1 14 . 1 1 26 26 GLN H H 26 9.622 9.622 8.966 0.656 17952 6596 1 14 . 1 1 27 27 ARG N N 27 125.712 125.712 126.615 -0.903 17952 6597 1 14 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.266 0.954 17952 6598 1 14 . 1 1 27 27 ARG CA C 27 56.125 56.125 56.140 -0.015 17952 6599 1 14 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.711 4.930 17952 6600 1 14 . 1 1 27 27 ARG H H 27 9.068 9.068 8.927 0.141 17952 6601 1 14 . 1 1 28 28 ALA N N 28 123.402 123.402 127.688 -4.286 17952 6602 1 14 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.515 -0.001 17952 6603 1 14 . 1 1 28 28 ALA CB C 28 21.919 21.919 20.368 1.551 17952 6604 1 14 . 1 1 28 28 ALA H H 28 8.102 8.102 8.322 -0.220 17952 6605 1 14 . 1 1 29 29 GLY N N 29 109.532 109.532 108.101 1.431 17952 6606 1 14 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.204 1.680 17952 6607 1 14 . 1 1 29 29 GLY H H 29 8.572 8.572 7.758 0.814 17952 6608 1 14 . 1 1 30 30 THR N N 30 113.168 113.168 110.348 2.820 17952 6609 1 14 . 1 1 30 30 THR HA H 30 4.953 4.953 4.982 -0.029 17952 6610 1 14 . 1 1 30 30 THR H H 30 9.199 9.199 8.347 0.852 17952 6611 1 14 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.497 -0.200 17952 6612 1 14 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.889 0.622 17952 6613 1 14 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.018 -1.035 17952 6614 1 14 . 1 1 32 32 GLN N N 32 110.281 110.281 116.857 -6.576 17952 6615 1 14 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.325 -0.130 17952 6616 1 14 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.024 1.454 17952 6617 1 14 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.951 -0.956 17952 6618 1 14 . 1 1 32 32 GLN H H 32 7.403 7.403 8.329 -0.926 17952 6619 1 14 . 1 1 33 33 ILE N N 33 118.254 118.254 116.814 1.440 17952 6620 1 14 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.397 -0.157 17952 6621 1 14 . 1 1 33 33 ILE CB C 33 42.791 42.791 40.811 1.980 17952 6622 1 14 . 1 1 33 33 ILE H H 33 7.353 7.353 7.971 -0.618 17952 6623 1 14 . 1 1 34 34 THR N N 34 122.650 122.650 126.270 -3.620 17952 6624 1 14 . 1 1 34 34 THR HA H 34 4.946 4.946 4.836 0.110 17952 6625 1 14 . 1 1 34 34 THR CA C 34 61.792 61.792 61.516 0.276 17952 6626 1 14 . 1 1 34 34 THR CB C 34 71.752 71.752 69.963 1.790 17952 6627 1 14 . 1 1 34 34 THR H H 34 8.787 8.787 9.090 -0.303 17952 6628 1 14 . 1 1 35 35 ILE N N 35 123.778 123.778 128.671 -4.893 17952 6629 1 14 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.458 0.703 17952 6630 1 14 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.830 0.883 17952 6631 1 14 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.511 2.532 17952 6632 1 14 . 1 1 35 35 ILE H H 35 9.109 9.109 9.005 0.104 17952 6633 1 14 . 1 1 36 36 LEU N N 36 132.558 132.558 129.168 3.390 17952 6634 1 14 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.061 0.573 17952 6635 1 14 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.724 -0.480 17952 6636 1 14 . 1 1 36 36 LEU CB C 36 44.498 44.498 43.245 1.253 17952 6637 1 14 . 1 1 36 36 LEU H H 36 9.500 9.500 8.953 0.547 17952 6638 1 14 . 1 1 37 37 GLY N N 37 106.940 106.940 109.876 -2.936 17952 6639 1 14 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.275 0.983 17952 6640 1 14 . 1 1 37 37 GLY H H 37 9.058 9.058 8.263 0.795 17952 6641 1 14 . 1 1 38 38 ARG N N 38 121.378 121.378 119.962 1.416 17952 6642 1 14 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.797 -0.145 17952 6643 1 14 . 1 1 38 38 ARG CA C 38 56.285 56.285 54.360 1.925 17952 6644 1 14 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.425 1.751 17952 6645 1 14 . 1 1 38 38 ARG H H 38 8.384 8.384 7.901 0.483 17952 6646 1 14 . 1 1 39 39 LEU N N 39 129.596 129.596 121.919 7.677 17952 6647 1 14 . 1 1 39 39 LEU CB C 39 42.472 42.472 39.386 3.086 17952 6648 1 14 . 1 1 39 39 LEU H H 39 9.030 9.030 8.594 0.436 17952 6649 1 14 . 1 1 40 40 ASN N N 40 119.921 119.921 124.786 -4.865 17952 6650 1 14 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.977 -1.431 17952 6651 1 14 . 1 1 40 40 ASN CB C 40 41.088 41.088 39.608 1.480 17952 6652 1 14 . 1 1 40 40 ASN H H 40 8.186 8.186 7.902 0.284 17952 6653 1 14 . 1 1 41 41 SER N N 41 112.600 112.600 119.703 -7.103 17952 6654 1 14 . 1 1 41 41 SER HA H 41 4.484 4.484 4.561 -0.077 17952 6655 1 14 . 1 1 41 41 SER CB C 41 62.949 62.949 62.057 0.892 17952 6656 1 14 . 1 1 41 41 SER H H 41 8.646 8.646 8.674 -0.028 17952 6657 1 14 . 1 1 42 42 LEU N N 42 120.612 120.612 120.397 0.215 17952 6658 1 14 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.442 -0.108 17952 6659 1 14 . 1 1 42 42 LEU CA C 42 54.828 54.828 53.928 0.900 17952 6660 1 14 . 1 1 42 42 LEU CB C 42 43.713 43.713 41.283 2.430 17952 6661 1 14 . 1 1 42 42 LEU H H 42 8.538 8.538 7.505 1.033 17952 6662 1 14 . 1 1 43 43 GLY N N 43 105.922 105.922 108.346 -2.424 17952 6663 1 14 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.516 -0.245 17952 6664 1 14 . 1 1 43 43 GLY H H 43 8.317 8.317 7.666 0.651 17952 6665 1 14 . 1 1 44 44 HIS N N 44 114.144 114.144 117.817 -3.673 17952 6666 1 14 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.761 0.304 17952 6667 1 14 . 1 1 44 44 HIS H H 44 7.145 7.145 8.031 -0.886 17952 6668 1 14 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.729 0.674 17952 6669 1 14 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.041 -0.480 17952 6670 1 14 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.424 1.673 17952 6671 1 14 . 1 1 46 46 ARG N N 46 116.294 116.294 126.647 -10.353 17952 6672 1 14 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.628 0.528 17952 6673 1 14 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.301 1.853 17952 6674 1 14 . 1 1 46 46 ARG CB C 46 37.970 37.970 31.895 6.075 17952 6675 1 14 . 1 1 46 46 ARG H H 46 8.919 8.919 8.312 0.607 17952 6676 1 14 . 1 1 47 47 ILE N N 47 117.069 117.069 128.386 -11.317 17952 6677 1 14 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.250 1.434 17952 6678 1 14 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.953 -1.133 17952 6679 1 14 . 1 1 47 47 ILE CB C 47 41.712 41.712 37.942 3.770 17952 6680 1 14 . 1 1 47 47 ILE H H 47 9.106 9.106 8.903 0.203 17952 6681 1 14 . 1 1 48 48 GLY N N 48 116.903 116.903 117.506 -0.603 17952 6682 1 14 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.282 0.247 17952 6683 1 14 . 1 1 48 48 GLY H H 48 9.276 9.276 9.160 0.116 17952 6684 1 14 . 1 1 49 49 LEU N N 49 123.729 123.729 125.982 -2.253 17952 6685 1 14 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.346 1.095 17952 6686 1 14 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.355 -0.993 17952 6687 1 14 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.536 3.009 17952 6688 1 14 . 1 1 49 49 LEU H H 49 8.957 8.957 7.804 1.153 17952 6689 1 14 . 1 1 50 50 THR N N 50 120.870 120.870 126.409 -5.539 17952 6690 1 14 . 1 1 50 50 THR HA H 50 4.616 4.616 4.578 0.038 17952 6691 1 14 . 1 1 50 50 THR H H 50 9.419 9.419 9.212 0.207 17952 6692 1 14 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.213 0.143 17952 6693 1 14 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.909 -0.799 17952 6694 1 14 . 1 1 51 51 VAL CB C 51 32.291 32.291 31.799 0.492 17952 6695 1 14 . 1 1 52 52 ALA N N 52 129.415 129.415 130.351 -0.936 17952 6696 1 14 . 1 1 52 52 ALA CB C 52 19.312 19.312 19.733 -0.421 17952 6697 1 14 . 1 1 52 52 ALA H H 52 9.046 9.046 8.202 0.844 17952 6698 1 14 . 1 1 53 53 LYS N N 53 125.023 125.023 123.487 1.536 17952 6699 1 14 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.183 -0.094 17952 6700 1 14 . 1 1 53 53 LYS CA C 53 58.735 58.735 56.835 1.900 17952 6701 1 14 . 1 1 53 53 LYS CB C 53 32.096 32.096 29.712 2.384 17952 6702 1 14 . 1 1 53 53 LYS H H 53 8.811 8.811 8.700 0.111 17952 6703 1 14 . 1 1 54 54 LYS N N 54 114.126 114.126 116.658 -2.532 17952 6704 1 14 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.428 -0.387 17952 6705 1 14 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.363 1.590 17952 6706 1 14 . 1 1 54 54 LYS CB C 54 31.930 31.930 33.301 -1.371 17952 6707 1 14 . 1 1 54 54 LYS H H 54 8.073 8.073 8.291 -0.218 17952 6708 1 14 . 1 1 55 55 ASN N N 55 115.234 115.234 117.658 -2.424 17952 6709 1 14 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.833 0.025 17952 6710 1 14 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.802 -1.025 17952 6711 1 14 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.807 -0.278 17952 6712 1 14 . 1 1 55 55 ASN H H 55 7.434 7.434 7.914 -0.480 17952 6713 1 14 . 1 1 56 56 VAL N N 56 121.000 121.000 120.464 0.536 17952 6714 1 14 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.264 -0.091 17952 6715 1 14 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.267 0.494 17952 6716 1 14 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.081 1.952 17952 6717 1 14 . 1 1 56 56 VAL H H 56 7.764 7.764 7.316 0.448 17952 6718 1 14 . 1 1 57 57 ARG N N 57 125.781 125.781 127.908 -2.127 17952 6719 1 14 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.088 0.112 17952 6720 1 14 . 1 1 57 57 ARG CA C 57 58.646 58.646 58.196 0.450 17952 6721 1 14 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.753 0.251 17952 6722 1 14 . 1 1 57 57 ARG H H 57 8.441 8.441 8.447 -0.006 17952 6723 1 14 . 1 1 58 58 ARG N N 58 118.159 118.159 119.224 -1.065 17952 6724 1 14 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.395 0.199 17952 6725 1 14 . 1 1 58 58 ARG H H 58 8.250 8.250 7.880 0.370 17952 6726 1 14 . 1 1 60 60 HIS N N 60 116.957 116.957 116.310 0.647 17952 6727 1 14 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.424 0.011 17952 6728 1 14 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.820 0.785 17952 6729 1 14 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.874 0.073 17952 6730 1 14 . 1 1 60 60 HIS H H 60 7.600 7.600 8.533 -0.933 17952 6731 1 14 . 1 1 61 61 GLU N N 61 119.542 119.542 118.826 0.716 17952 6732 1 14 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.261 0.168 17952 6733 1 14 . 1 1 61 61 GLU CA C 61 57.628 57.628 57.140 0.488 17952 6734 1 14 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.970 0.836 17952 6735 1 14 . 1 1 61 61 GLU H H 61 6.702 6.702 7.833 -1.131 17952 6736 1 14 . 1 1 62 62 ARG N N 62 120.227 120.227 118.777 1.450 17952 6737 1 14 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.107 -0.374 17952 6738 1 14 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.626 2.905 17952 6739 1 14 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.583 0.029 17952 6740 1 14 . 1 1 62 62 ARG H H 62 7.951 7.951 7.589 0.362 17952 6741 1 14 . 1 1 63 63 ASN N N 63 116.757 116.757 118.537 -1.780 17952 6742 1 14 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.505 -0.071 17952 6743 1 14 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.478 0.730 17952 6744 1 14 . 1 1 63 63 ASN CB C 63 37.825 37.825 37.980 -0.155 17952 6745 1 14 . 1 1 63 63 ASN H H 63 8.365 8.365 7.667 0.698 17952 6746 1 14 . 1 1 64 64 ARG N N 64 123.093 123.093 119.353 3.740 17952 6747 1 14 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.231 -0.175 17952 6748 1 14 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.112 2.026 17952 6749 1 14 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.756 1.076 17952 6750 1 14 . 1 1 64 64 ARG H H 64 7.770 7.770 7.547 0.223 17952 6751 1 14 . 1 1 65 65 ILE N N 65 117.911 117.911 120.129 -2.218 17952 6752 1 14 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.777 -0.252 17952 6753 1 14 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.761 0.954 17952 6754 1 14 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.751 0.894 17952 6755 1 14 . 1 1 65 65 ILE H H 65 8.121 8.121 7.514 0.607 17952 6756 1 14 . 1 1 66 66 LYS N N 66 122.635 122.635 119.091 3.544 17952 6757 1 14 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.214 -0.443 17952 6758 1 14 . 1 1 66 66 LYS CA C 66 60.935 60.935 58.969 1.966 17952 6759 1 14 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.083 0.341 17952 6760 1 14 . 1 1 66 66 LYS H H 66 8.337 8.337 7.552 0.785 17952 6761 1 14 . 1 1 67 67 ARG N N 67 119.137 119.137 120.485 -1.348 17952 6762 1 14 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.081 -0.073 17952 6763 1 14 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.502 0.487 17952 6764 1 14 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.163 -0.128 17952 6765 1 14 . 1 1 67 67 ARG H H 67 8.257 8.257 7.442 0.815 17952 6766 1 14 . 1 1 68 68 LEU N N 68 119.084 119.084 120.771 -1.687 17952 6767 1 14 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.100 0.008 17952 6768 1 14 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.434 -0.412 17952 6769 1 14 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.402 0.200 17952 6770 1 14 . 1 1 68 68 LEU H H 68 8.427 8.427 8.491 -0.064 17952 6771 1 14 . 1 1 69 69 THR N N 69 118.019 118.019 111.242 6.777 17952 6772 1 14 . 1 1 69 69 THR CA C 69 67.701 67.701 65.820 1.881 17952 6773 1 14 . 1 1 69 69 THR H H 69 8.433 8.433 7.853 0.580 17952 6774 1 14 . 1 1 70 70 ARG N N 70 122.713 122.713 122.268 0.445 17952 6775 1 14 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.212 2.198 17952 6776 1 14 . 1 1 70 70 ARG CB C 70 30.050 30.050 29.938 0.112 17952 6777 1 14 . 1 1 70 70 ARG H H 70 8.346 8.346 8.015 0.331 17952 6778 1 14 . 1 1 71 71 GLU N N 71 118.890 118.890 117.157 1.733 17952 6779 1 14 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.180 0.086 17952 6780 1 14 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.321 1.161 17952 6781 1 14 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.233 0.083 17952 6782 1 14 . 1 1 71 71 GLU H H 71 8.334 8.334 8.394 -0.060 17952 6783 1 14 . 1 1 72 72 SER N N 72 114.922 114.922 114.378 0.544 17952 6784 1 14 . 1 1 72 72 SER HA H 72 4.243 4.243 4.378 -0.135 17952 6785 1 14 . 1 1 72 72 SER CA C 72 61.292 61.292 61.040 0.252 17952 6786 1 14 . 1 1 72 72 SER CB C 72 63.065 63.065 63.782 -0.718 17952 6787 1 14 . 1 1 72 72 SER H H 72 8.205 8.205 7.869 0.336 17952 6788 1 14 . 1 1 73 73 PHE N N 73 122.665 122.665 123.659 -0.994 17952 6789 1 14 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.117 -1.008 17952 6790 1 14 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.412 0.123 17952 6791 1 14 . 1 1 73 73 PHE H H 73 7.788 7.788 8.475 -0.687 17952 6792 1 14 . 1 1 74 74 ARG N N 74 119.417 119.417 117.135 2.282 17952 6793 1 14 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.220 -0.323 17952 6794 1 14 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.397 1.804 17952 6795 1 14 . 1 1 74 74 ARG CB C 74 29.981 29.981 29.744 0.237 17952 6796 1 14 . 1 1 74 74 ARG H H 74 8.580 8.580 8.032 0.548 17952 6797 1 14 . 1 1 75 75 LEU N N 75 117.144 117.144 120.038 -2.894 17952 6798 1 14 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.381 -0.285 17952 6799 1 14 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.099 1.118 17952 6800 1 14 . 1 1 75 75 LEU CB C 75 42.788 42.788 43.234 -0.446 17952 6801 1 14 . 1 1 75 75 LEU H H 75 7.903 7.903 7.498 0.405 17952 6802 1 14 . 1 1 76 76 ARG N N 76 113.888 113.888 119.346 -5.458 17952 6803 1 14 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.217 0.206 17952 6804 1 14 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.562 -1.075 17952 6805 1 14 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.487 2.380 17952 6806 1 14 . 1 1 76 76 ARG H H 76 6.736 6.736 7.171 -0.435 17952 6807 1 14 . 1 1 77 77 GLN N N 77 120.009 120.009 118.088 1.921 17952 6808 1 14 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.903 2.353 17952 6809 1 14 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.122 1.466 17952 6810 1 14 . 1 1 77 77 GLN H H 77 7.273 7.273 8.163 -0.890 17952 6811 1 14 . 1 1 78 78 HIS N N 78 114.954 114.954 116.430 -1.476 17952 6812 1 14 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.596 -0.151 17952 6813 1 14 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.931 0.869 17952 6814 1 14 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.388 -0.986 17952 6815 1 14 . 1 1 78 78 HIS H H 78 8.389 8.389 7.802 0.587 17952 6816 1 14 . 1 1 79 79 GLU N N 79 118.231 118.231 117.907 0.324 17952 6817 1 14 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.366 0.041 17952 6818 1 14 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.882 -0.490 17952 6819 1 14 . 1 1 79 79 GLU CB C 79 31.296 31.296 31.890 -0.594 17952 6820 1 14 . 1 1 79 79 GLU H H 79 7.717 7.717 7.964 -0.247 17952 6821 1 14 . 1 1 80 80 LEU N N 80 119.751 119.751 121.270 -1.519 17952 6822 1 14 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.784 -0.230 17952 6823 1 14 . 1 1 80 80 LEU H H 80 6.859 6.859 7.420 -0.561 17952 6824 1 14 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.552 0.019 17952 6825 1 14 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.411 -0.686 17952 6826 1 14 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.007 0.326 17952 6827 1 14 . 1 1 82 82 ALA N N 82 122.525 122.525 129.331 -6.806 17952 6828 1 14 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.497 -0.739 17952 6829 1 14 . 1 1 82 82 ALA CB C 82 15.908 15.908 19.233 -3.325 17952 6830 1 14 . 1 1 82 82 ALA H H 82 8.425 8.425 8.349 0.076 17952 6831 1 14 . 1 1 83 83 MET N N 83 122.963 122.963 120.930 2.033 17952 6832 1 14 . 1 1 83 83 MET HA H 83 4.387 4.387 4.668 -0.281 17952 6833 1 14 . 1 1 83 83 MET CA C 83 54.002 54.002 54.547 -0.545 17952 6834 1 14 . 1 1 83 83 MET CB C 83 35.655 35.655 36.618 -0.963 17952 6835 1 14 . 1 1 83 83 MET H H 83 7.851 7.851 8.277 -0.426 17952 6836 1 14 . 1 1 84 84 ASP N N 84 121.733 121.733 120.889 0.844 17952 6837 1 14 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.706 0.046 17952 6838 1 14 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.647 -0.009 17952 6839 1 14 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.562 0.428 17952 6840 1 14 . 1 1 84 84 ASP H H 84 8.393 8.393 8.409 -0.016 17952 6841 1 14 . 1 1 85 85 PHE N N 85 121.368 121.368 123.166 -1.798 17952 6842 1 14 . 1 1 85 85 PHE HA H 85 5.956 5.956 5.131 0.825 17952 6843 1 14 . 1 1 85 85 PHE CB C 85 42.080 42.080 43.257 -1.177 17952 6844 1 14 . 1 1 85 85 PHE H H 85 8.849 8.849 8.507 0.342 17952 6845 1 14 . 1 1 86 86 VAL N N 86 120.431 120.431 117.326 3.105 17952 6846 1 14 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.907 -0.291 17952 6847 1 14 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.100 0.774 17952 6848 1 14 . 1 1 86 86 VAL CB C 86 34.882 34.882 33.368 1.514 17952 6849 1 14 . 1 1 86 86 VAL H H 86 9.407 9.407 9.430 -0.023 17952 6850 1 14 . 1 1 87 87 VAL N N 87 127.860 127.860 127.183 0.677 17952 6851 1 14 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.423 0.194 17952 6852 1 14 . 1 1 87 87 VAL CA C 87 61.420 61.420 60.745 0.675 17952 6853 1 14 . 1 1 87 87 VAL CB C 87 32.122 32.122 31.153 0.969 17952 6854 1 14 . 1 1 87 87 VAL H H 87 8.843 8.843 8.751 0.092 17952 6855 1 14 . 1 1 88 88 VAL N N 88 128.150 128.150 129.316 -1.166 17952 6856 1 14 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.506 0.149 17952 6857 1 14 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.258 0.007 17952 6858 1 14 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.029 1.411 17952 6859 1 14 . 1 1 88 88 VAL H H 88 9.538 9.538 9.177 0.361 17952 6860 1 14 . 1 1 89 89 ALA N N 89 128.337 128.337 132.090 -3.753 17952 6861 1 14 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.487 0.117 17952 6862 1 14 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.005 0.866 17952 6863 1 14 . 1 1 89 89 ALA H H 89 8.170 8.170 8.065 0.105 17952 6864 1 14 . 1 1 90 90 LYS N N 90 123.110 123.110 122.204 0.906 17952 6865 1 14 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.532 -0.055 17952 6866 1 14 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.360 1.750 17952 6867 1 14 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.883 -0.428 17952 6868 1 14 . 1 1 90 90 LYS H H 90 8.231 8.231 8.170 0.061 17952 6869 1 14 . 1 1 91 91 LYS N N 91 119.291 119.291 119.253 0.038 17952 6870 1 14 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.342 -0.294 17952 6871 1 14 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.585 1.586 17952 6872 1 14 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.326 -0.107 17952 6873 1 14 . 1 1 91 91 LYS H H 91 8.162 8.162 8.422 -0.260 17952 6874 1 14 . 1 1 92 92 GLY N N 92 112.991 112.991 111.936 1.055 17952 6875 1 14 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.209 -0.073 17952 6876 1 14 . 1 1 92 92 GLY H H 92 8.783 8.783 8.534 0.249 17952 6877 1 14 . 1 1 93 93 VAL N N 93 122.937 122.937 120.888 2.049 17952 6878 1 14 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.795 -0.065 17952 6879 1 14 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.971 -0.060 17952 6880 1 14 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.694 -1.696 17952 6881 1 14 . 1 1 93 93 VAL H H 93 8.363 8.363 7.547 0.816 17952 6882 1 14 . 1 1 94 94 ALA N N 94 119.882 119.882 118.377 1.505 17952 6883 1 14 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.199 -0.103 17952 6884 1 14 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.945 -0.276 17952 6885 1 14 . 1 1 94 94 ALA H H 94 7.960 7.960 7.964 -0.004 17952 6886 1 14 . 1 1 95 95 ASP N N 95 114.705 114.705 119.983 -5.278 17952 6887 1 14 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.780 -0.288 17952 6888 1 14 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.301 1.560 17952 6889 1 14 . 1 1 95 95 ASP CB C 95 40.883 40.883 39.642 1.241 17952 6890 1 14 . 1 1 95 95 ASP H H 95 7.360 7.360 7.779 -0.419 17952 6891 1 14 . 1 1 96 96 LEU N N 96 120.424 120.424 119.340 1.084 17952 6892 1 14 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.657 -0.199 17952 6893 1 14 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.719 0.638 17952 6894 1 14 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.243 -0.810 17952 6895 1 14 . 1 1 96 96 LEU H H 96 7.389 7.389 7.456 -0.067 17952 6896 1 14 . 1 1 97 97 ASP N N 97 123.018 123.018 118.667 4.351 17952 6897 1 14 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.921 -0.391 17952 6898 1 14 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.170 -0.335 17952 6899 1 14 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.621 -3.119 17952 6900 1 14 . 1 1 97 97 ASP H H 97 8.473 8.473 8.354 0.119 17952 6901 1 14 . 1 1 98 98 ASN N N 98 117.692 117.692 121.419 -3.727 17952 6902 1 14 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.411 -0.275 17952 6903 1 14 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.250 0.615 17952 6904 1 14 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.609 -1.669 17952 6905 1 14 . 1 1 98 98 ASN H H 98 8.651 8.651 8.781 -0.130 17952 6906 1 14 . 1 1 99 99 ARG N N 99 120.819 120.819 120.087 0.732 17952 6907 1 14 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.238 -0.185 17952 6908 1 14 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.702 0.797 17952 6909 1 14 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.658 -1.341 17952 6910 1 14 . 1 1 99 99 ARG H H 99 8.191 8.191 8.670 -0.479 17952 6911 1 14 . 1 1 100 100 ALA N N 100 122.928 122.928 122.006 0.922 17952 6912 1 14 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.396 -0.245 17952 6913 1 14 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.711 0.338 17952 6914 1 14 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.716 0.281 17952 6915 1 14 . 1 1 100 100 ALA H H 100 8.524 8.524 7.783 0.741 17952 6916 1 14 . 1 1 101 101 LEU N N 101 120.795 120.795 115.998 4.797 17952 6917 1 14 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.108 -0.010 17952 6918 1 14 . 1 1 101 101 LEU CA C 101 58.235 58.235 58.111 0.124 17952 6919 1 14 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.058 0.451 17952 6920 1 14 . 1 1 101 101 LEU H H 101 8.961 8.961 8.385 0.576 17952 6921 1 14 . 1 1 102 102 SER N N 102 115.314 115.314 114.312 1.002 17952 6922 1 14 . 1 1 102 102 SER HA H 102 4.123 4.123 4.186 -0.063 17952 6923 1 14 . 1 1 102 102 SER CB C 102 62.761 62.761 62.908 -0.147 17952 6924 1 14 . 1 1 102 102 SER H H 102 8.459 8.459 7.774 0.685 17952 6925 1 14 . 1 1 103 103 GLU N N 103 122.468 122.468 121.050 1.418 17952 6926 1 14 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.175 -0.045 17952 6927 1 14 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.749 0.719 17952 6928 1 14 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.625 -0.097 17952 6929 1 14 . 1 1 103 103 GLU H H 103 8.492 8.492 7.457 1.035 17952 6930 1 14 . 1 1 104 104 ALA N N 104 123.159 123.159 120.726 2.433 17952 6931 1 14 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.245 -0.155 17952 6932 1 14 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.114 1.128 17952 6933 1 14 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.974 -1.147 17952 6934 1 14 . 1 1 104 104 ALA H H 104 8.074 8.074 8.147 -0.073 17952 6935 1 14 . 1 1 105 105 LEU N N 105 116.602 116.602 120.358 -3.756 17952 6936 1 14 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.025 -0.473 17952 6937 1 14 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.912 0.492 17952 6938 1 14 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.197 -0.578 17952 6939 1 14 . 1 1 105 105 LEU H H 105 8.318 8.318 7.634 0.684 17952 6940 1 14 . 1 1 106 106 GLU N N 106 117.564 117.564 117.271 0.293 17952 6941 1 14 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.198 0.034 17952 6942 1 14 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.028 1.388 17952 6943 1 14 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.713 0.212 17952 6944 1 14 . 1 1 106 106 GLU H H 106 8.009 8.009 8.200 -0.191 17952 6945 1 14 . 1 1 107 107 LYS N N 107 117.286 117.286 120.081 -2.795 17952 6946 1 14 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.156 -0.182 17952 6947 1 14 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.175 1.732 17952 6948 1 14 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.683 0.698 17952 6949 1 14 . 1 1 107 107 LYS H H 107 7.787 7.787 7.604 0.183 17952 6950 1 14 . 1 1 108 108 LEU N N 108 120.504 120.504 120.011 0.493 17952 6951 1 14 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.228 -0.249 17952 6952 1 14 . 1 1 108 108 LEU CA C 108 57.817 57.817 58.782 -0.965 17952 6953 1 14 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.438 0.862 17952 6954 1 14 . 1 1 108 108 LEU H H 108 7.875 7.875 7.662 0.213 17952 6955 1 14 . 1 1 109 109 TRP N N 109 120.547 120.547 121.589 -1.042 17952 6956 1 14 . 1 1 109 109 TRP CA C 109 59.887 59.887 61.494 -1.607 17952 6957 1 14 . 1 1 109 109 TRP CB C 109 30.763 30.763 28.957 1.806 17952 6958 1 14 . 1 1 109 109 TRP H H 109 9.048 9.048 7.648 1.400 17952 6959 1 14 . 1 1 110 110 ARG N N 110 117.678 117.678 118.695 -1.017 17952 6960 1 14 . 1 1 110 110 ARG HA H 110 4.074 4.074 4.171 -0.097 17952 6961 1 14 . 1 1 110 110 ARG CA C 110 60.243 60.243 58.813 1.430 17952 6962 1 14 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.681 -0.040 17952 6963 1 14 . 1 1 110 110 ARG H H 110 8.425 8.425 8.183 0.242 17952 6964 1 14 . 1 1 111 111 ARG N N 111 121.156 121.156 119.547 1.609 17952 6965 1 14 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.006 0.169 17952 6966 1 14 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.355 0.713 17952 6967 1 14 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.858 -0.788 17952 6968 1 14 . 1 1 111 111 ARG H H 111 8.100 8.100 8.390 -0.290 17952 6969 1 14 . 1 1 112 112 HIS N N 112 118.118 118.118 115.452 2.666 17952 6970 1 14 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.742 -0.439 17952 6971 1 14 . 1 1 112 112 HIS CA C 112 61.535 61.535 56.460 5.075 17952 6972 1 14 . 1 1 112 112 HIS CB C 112 31.917 31.917 29.654 2.263 17952 6973 1 14 . 1 1 112 112 HIS H H 112 8.250 8.250 7.749 0.501 17952 6974 1 14 . 1 1 113 113 CYS N N 113 117.579 117.579 120.291 -2.712 17952 6975 1 14 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.637 -0.373 17952 6976 1 14 . 1 1 113 113 CYS CA C 113 64.136 64.136 60.133 4.003 17952 6977 1 14 . 1 1 113 113 CYS CB C 113 26.785 26.785 29.368 -2.583 17952 6978 1 14 . 1 1 113 113 CYS H H 113 8.181 8.181 7.963 0.218 17952 6979 1 14 . 1 1 114 114 ARG N N 114 120.172 120.172 120.947 -0.775 17952 6980 1 14 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.101 0.046 17952 6981 1 14 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.731 0.319 17952 6982 1 14 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.732 0.086 17952 6983 1 14 . 1 1 114 114 ARG H H 114 7.870 7.870 7.653 0.217 17952 6984 1 14 . 1 1 115 115 LEU N N 115 120.720 120.720 117.522 3.198 17952 6985 1 14 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.312 -0.195 17952 6986 1 14 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.252 0.110 17952 6987 1 14 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.779 0.123 17952 6988 1 14 . 1 1 115 115 LEU H H 115 8.690 8.690 8.080 0.610 17952 6989 1 14 . 1 1 116 116 ALA N N 116 119.118 119.118 118.129 0.989 17952 6990 1 14 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.216 0.151 17952 6991 1 14 . 1 1 116 116 ALA CB C 116 19.088 19.088 19.097 -0.009 17952 6992 1 14 . 1 1 116 116 ALA H H 116 7.751 7.751 7.282 0.469 17952 6993 1 14 . 1 1 117 117 ARG N N 117 117.010 117.010 116.695 0.315 17952 6994 1 14 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.587 -0.199 17952 6995 1 14 . 1 1 117 117 ARG CA C 117 57.046 57.046 54.770 2.276 17952 6996 1 14 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.964 -0.106 17952 6997 1 14 . 1 1 117 117 ARG H H 117 7.602 7.602 7.764 -0.162 17952 6998 1 14 . 1 1 118 118 GLY N N 118 108.836 108.836 107.681 1.155 17952 6999 1 14 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.886 0.680 17952 7000 1 14 . 1 1 118 118 GLY H H 118 8.087 8.087 7.872 0.215 17952 7001 1 15 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.568 0.623 17952 7002 1 15 . 1 1 3 3 LYS CB C 3 32.966 32.966 34.888 -1.922 17952 7003 1 15 . 1 1 4 4 LEU N N 4 125.667 125.667 125.645 0.022 17952 7004 1 15 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.592 -0.205 17952 7005 1 15 . 1 1 4 4 LEU CA C 4 54.667 54.667 53.747 0.920 17952 7006 1 15 . 1 1 4 4 LEU CB C 4 42.618 42.618 39.596 3.022 17952 7007 1 15 . 1 1 4 4 LEU H H 4 8.498 8.498 8.934 -0.436 17952 7008 1 15 . 1 1 5 5 ALA N N 5 126.419 126.419 121.250 5.169 17952 7009 1 15 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.301 0.070 17952 7010 1 15 . 1 1 5 5 ALA CB C 5 19.337 19.337 21.184 -1.847 17952 7011 1 15 . 1 1 5 5 ALA H H 5 8.435 8.435 7.336 1.099 17952 7012 1 15 . 1 1 6 6 PHE N N 6 124.718 124.718 120.479 4.239 17952 7013 1 15 . 1 1 6 6 PHE H H 6 8.714 8.714 7.524 1.190 17952 7014 1 15 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.359 -0.123 17952 7015 1 15 . 1 1 7 7 PRO CA C 7 63.736 63.736 64.332 -0.596 17952 7016 1 15 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.699 0.703 17952 7017 1 15 . 1 1 8 8 ARG N N 8 124.351 124.351 118.329 6.022 17952 7018 1 15 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.315 -0.531 17952 7019 1 15 . 1 1 8 8 ARG CA C 8 59.972 59.972 57.720 2.252 17952 7020 1 15 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.040 1.216 17952 7021 1 15 . 1 1 8 8 ARG H H 8 8.650 8.650 9.004 -0.354 17952 7022 1 15 . 1 1 9 9 GLU N N 9 117.015 117.015 117.375 -0.360 17952 7023 1 15 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.345 -0.104 17952 7024 1 15 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.016 0.520 17952 7025 1 15 . 1 1 9 9 GLU CB C 9 28.286 28.286 28.618 -0.332 17952 7026 1 15 . 1 1 9 9 GLU H H 9 9.522 9.522 7.777 1.745 17952 7027 1 15 . 1 1 10 10 LEU N N 10 116.269 116.269 118.755 -2.486 17952 7028 1 15 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.146 0.536 17952 7029 1 15 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.629 -2.304 17952 7030 1 15 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.313 -0.008 17952 7031 1 15 . 1 1 10 10 LEU H H 10 7.285 7.285 7.535 -0.250 17952 7032 1 15 . 1 1 11 11 ARG N N 11 116.982 116.982 117.719 -0.737 17952 7033 1 15 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.510 0.535 17952 7034 1 15 . 1 1 11 11 ARG CA C 11 55.671 55.671 56.778 -1.107 17952 7035 1 15 . 1 1 11 11 ARG CB C 11 32.827 32.827 31.541 1.286 17952 7036 1 15 . 1 1 11 11 ARG H H 11 7.618 7.618 7.676 -0.058 17952 7037 1 15 . 1 1 12 12 LEU N N 12 119.127 119.127 121.488 -2.361 17952 7038 1 15 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.642 -0.313 17952 7039 1 15 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.714 0.401 17952 7040 1 15 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.170 -0.487 17952 7041 1 15 . 1 1 12 12 LEU H H 12 7.289 7.289 7.945 -0.656 17952 7042 1 15 . 1 1 13 13 LEU N N 13 123.181 123.181 123.642 -0.461 17952 7043 1 15 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.466 0.281 17952 7044 1 15 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.323 0.867 17952 7045 1 15 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.175 4.059 17952 7046 1 15 . 1 1 13 13 LEU H H 13 8.816 8.816 8.594 0.222 17952 7047 1 15 . 1 1 14 14 THR N N 14 111.810 111.810 112.093 -0.283 17952 7048 1 15 . 1 1 14 14 THR HA H 14 5.104 5.104 4.762 0.342 17952 7049 1 15 . 1 1 14 14 THR H H 14 8.321 8.321 8.174 0.147 17952 7050 1 15 . 1 1 16 16 SER HA H 16 4.282 4.282 4.662 -0.380 17952 7051 1 15 . 1 1 16 16 SER CB C 16 62.228 62.228 64.073 -1.845 17952 7052 1 15 . 1 1 17 17 GLN N N 17 122.336 122.336 125.719 -3.383 17952 7053 1 15 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.241 -0.163 17952 7054 1 15 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.271 -0.149 17952 7055 1 15 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.864 0.239 17952 7056 1 15 . 1 1 17 17 GLN H H 17 7.967 7.967 9.192 -1.225 17952 7057 1 15 . 1 1 18 18 PHE N N 18 119.658 119.658 119.382 0.276 17952 7058 1 15 . 1 1 18 18 PHE CA C 18 61.640 61.640 60.757 0.883 17952 7059 1 15 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.758 -0.268 17952 7060 1 15 . 1 1 18 18 PHE H H 18 7.733 7.733 8.511 -0.778 17952 7061 1 15 . 1 1 19 19 THR N N 19 116.141 116.141 114.687 1.454 17952 7062 1 15 . 1 1 19 19 THR HA H 19 3.911 3.911 4.027 -0.116 17952 7063 1 15 . 1 1 19 19 THR CA C 19 67.058 67.058 65.702 1.356 17952 7064 1 15 . 1 1 19 19 THR CB C 19 68.790 68.790 68.773 0.017 17952 7065 1 15 . 1 1 19 19 THR H H 19 8.622 8.622 7.558 1.064 17952 7066 1 15 . 1 1 20 20 PHE N N 20 119.904 119.904 122.582 -2.678 17952 7067 1 15 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.524 -0.375 17952 7068 1 15 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.743 -0.483 17952 7069 1 15 . 1 1 20 20 PHE H H 20 7.728 7.728 7.459 0.269 17952 7070 1 15 . 1 1 21 21 VAL N N 21 117.896 117.896 119.193 -1.297 17952 7071 1 15 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.902 -0.820 17952 7072 1 15 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.669 1.667 17952 7073 1 15 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.414 0.175 17952 7074 1 15 . 1 1 21 21 VAL H H 21 6.861 6.861 8.406 -1.545 17952 7075 1 15 . 1 1 22 22 PHE N N 22 114.352 114.352 117.663 -3.311 17952 7076 1 15 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.344 -0.333 17952 7077 1 15 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.527 -0.942 17952 7078 1 15 . 1 1 22 22 PHE H H 22 7.653 7.653 7.369 0.284 17952 7079 1 15 . 1 1 23 23 GLN N N 23 116.245 116.245 117.766 -1.521 17952 7080 1 15 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.953 0.080 17952 7081 1 15 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.374 1.040 17952 7082 1 15 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.177 -0.227 17952 7083 1 15 . 1 1 23 23 GLN H H 23 7.928 7.928 7.473 0.455 17952 7084 1 15 . 1 1 24 24 GLN N N 24 114.087 114.087 117.818 -3.731 17952 7085 1 15 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.753 -0.328 17952 7086 1 15 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.031 1.660 17952 7087 1 15 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.944 -1.487 17952 7088 1 15 . 1 1 24 24 GLN H H 24 6.731 6.731 7.543 -0.812 17952 7089 1 15 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.690 0.338 17952 7090 1 15 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.077 1.102 17952 7091 1 15 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.217 -0.640 17952 7092 1 15 . 1 1 26 26 GLN N N 26 120.107 120.107 119.970 0.137 17952 7093 1 15 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.962 0.318 17952 7094 1 15 . 1 1 26 26 GLN CB C 26 30.556 30.556 30.520 0.036 17952 7095 1 15 . 1 1 26 26 GLN H H 26 9.622 9.622 8.588 1.034 17952 7096 1 15 . 1 1 27 27 ARG N N 27 125.712 125.712 125.150 0.562 17952 7097 1 15 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.660 0.560 17952 7098 1 15 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.128 0.997 17952 7099 1 15 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.729 4.912 17952 7100 1 15 . 1 1 27 27 ARG H H 27 9.068 9.068 8.769 0.299 17952 7101 1 15 . 1 1 28 28 ALA N N 28 123.402 123.402 127.481 -4.079 17952 7102 1 15 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.885 -0.371 17952 7103 1 15 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.431 -0.512 17952 7104 1 15 . 1 1 28 28 ALA H H 28 8.102 8.102 8.761 -0.659 17952 7105 1 15 . 1 1 29 29 GLY N N 29 109.532 109.532 107.246 2.286 17952 7106 1 15 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.070 1.814 17952 7107 1 15 . 1 1 29 29 GLY H H 29 8.572 8.572 8.486 0.086 17952 7108 1 15 . 1 1 30 30 THR N N 30 113.168 113.168 112.194 0.974 17952 7109 1 15 . 1 1 30 30 THR HA H 30 4.953 4.953 4.963 -0.010 17952 7110 1 15 . 1 1 30 30 THR H H 30 9.199 9.199 8.537 0.662 17952 7111 1 15 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.397 -0.100 17952 7112 1 15 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.136 0.375 17952 7113 1 15 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.956 -0.973 17952 7114 1 15 . 1 1 32 32 GLN N N 32 110.281 110.281 115.810 -5.529 17952 7115 1 15 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.382 -0.187 17952 7116 1 15 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.980 1.498 17952 7117 1 15 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.983 -0.987 17952 7118 1 15 . 1 1 32 32 GLN H H 32 7.403 7.403 7.984 -0.581 17952 7119 1 15 . 1 1 33 33 ILE N N 33 118.254 118.254 120.433 -2.179 17952 7120 1 15 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.646 0.594 17952 7121 1 15 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.209 3.582 17952 7122 1 15 . 1 1 33 33 ILE H H 33 7.353 7.353 8.207 -0.854 17952 7123 1 15 . 1 1 34 34 THR N N 34 122.650 122.650 127.136 -4.486 17952 7124 1 15 . 1 1 34 34 THR HA H 34 4.946 4.946 4.921 0.024 17952 7125 1 15 . 1 1 34 34 THR CA C 34 61.792 61.792 62.188 -0.396 17952 7126 1 15 . 1 1 34 34 THR CB C 34 71.752 71.752 69.444 2.308 17952 7127 1 15 . 1 1 34 34 THR H H 34 8.787 8.787 8.636 0.151 17952 7128 1 15 . 1 1 35 35 ILE N N 35 123.778 123.778 127.802 -4.024 17952 7129 1 15 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.745 0.416 17952 7130 1 15 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.942 0.771 17952 7131 1 15 . 1 1 35 35 ILE CB C 35 40.043 40.043 39.096 0.947 17952 7132 1 15 . 1 1 35 35 ILE H H 35 9.109 9.109 9.039 0.070 17952 7133 1 15 . 1 1 36 36 LEU N N 36 132.558 132.558 125.917 6.641 17952 7134 1 15 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.695 -0.061 17952 7135 1 15 . 1 1 36 36 LEU CA C 36 53.244 53.244 54.070 -0.826 17952 7136 1 15 . 1 1 36 36 LEU CB C 36 44.498 44.498 43.692 0.806 17952 7137 1 15 . 1 1 36 36 LEU H H 36 9.500 9.500 7.992 1.508 17952 7138 1 15 . 1 1 37 37 GLY N N 37 106.940 106.940 106.407 0.533 17952 7139 1 15 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.734 0.524 17952 7140 1 15 . 1 1 37 37 GLY H H 37 9.058 9.058 8.077 0.981 17952 7141 1 15 . 1 1 38 38 ARG N N 38 121.378 121.378 124.396 -3.018 17952 7142 1 15 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.718 -0.066 17952 7143 1 15 . 1 1 38 38 ARG CA C 38 56.285 56.285 54.399 1.886 17952 7144 1 15 . 1 1 38 38 ARG CB C 38 35.176 35.176 32.041 3.135 17952 7145 1 15 . 1 1 38 38 ARG H H 38 8.384 8.384 9.433 -1.049 17952 7146 1 15 . 1 1 39 39 LEU N N 39 129.596 129.596 127.090 2.506 17952 7147 1 15 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.334 1.138 17952 7148 1 15 . 1 1 39 39 LEU H H 39 9.030 9.030 8.789 0.241 17952 7149 1 15 . 1 1 40 40 ASN N N 40 119.921 119.921 123.420 -3.499 17952 7150 1 15 . 1 1 40 40 ASN CA C 40 51.546 51.546 54.634 -3.088 17952 7151 1 15 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.273 -0.185 17952 7152 1 15 . 1 1 40 40 ASN H H 40 8.186 8.186 9.031 -0.845 17952 7153 1 15 . 1 1 41 41 SER N N 41 112.600 112.600 112.878 -0.278 17952 7154 1 15 . 1 1 41 41 SER HA H 41 4.484 4.484 4.692 -0.208 17952 7155 1 15 . 1 1 41 41 SER CB C 41 62.949 62.949 63.431 -0.482 17952 7156 1 15 . 1 1 41 41 SER H H 41 8.646 8.646 8.574 0.072 17952 7157 1 15 . 1 1 42 42 LEU N N 42 120.612 120.612 126.079 -5.467 17952 7158 1 15 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.432 -0.098 17952 7159 1 15 . 1 1 42 42 LEU CA C 42 54.828 54.828 56.305 -1.477 17952 7160 1 15 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.749 0.964 17952 7161 1 15 . 1 1 42 42 LEU H H 42 8.538 8.538 8.102 0.436 17952 7162 1 15 . 1 1 43 43 GLY N N 43 105.922 105.922 107.993 -2.071 17952 7163 1 15 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.451 -0.180 17952 7164 1 15 . 1 1 43 43 GLY H H 43 8.317 8.317 8.361 -0.044 17952 7165 1 15 . 1 1 44 44 HIS N N 44 114.144 114.144 118.773 -4.629 17952 7166 1 15 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.775 0.290 17952 7167 1 15 . 1 1 44 44 HIS H H 44 7.145 7.145 7.981 -0.836 17952 7168 1 15 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.973 0.430 17952 7169 1 15 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.995 -0.433 17952 7170 1 15 . 1 1 45 45 PRO CB C 45 33.097 33.097 32.403 0.694 17952 7171 1 15 . 1 1 46 46 ARG N N 46 116.294 116.294 122.780 -6.486 17952 7172 1 15 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.680 0.476 17952 7173 1 15 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.359 1.794 17952 7174 1 15 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.094 4.876 17952 7175 1 15 . 1 1 46 46 ARG H H 46 8.919 8.919 8.427 0.492 17952 7176 1 15 . 1 1 47 47 ILE N N 47 117.069 117.069 126.497 -9.428 17952 7177 1 15 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.136 1.548 17952 7178 1 15 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.501 -1.681 17952 7179 1 15 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.003 3.709 17952 7180 1 15 . 1 1 47 47 ILE H H 47 9.106 9.106 8.892 0.214 17952 7181 1 15 . 1 1 48 48 GLY N N 48 116.903 116.903 117.950 -1.047 17952 7182 1 15 . 1 1 48 48 GLY CA C 48 44.529 44.529 43.992 0.536 17952 7183 1 15 . 1 1 48 48 GLY H H 48 9.276 9.276 8.645 0.631 17952 7184 1 15 . 1 1 49 49 LEU N N 49 123.729 123.729 125.879 -2.150 17952 7185 1 15 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.303 1.138 17952 7186 1 15 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.055 -0.693 17952 7187 1 15 . 1 1 49 49 LEU CB C 49 45.545 45.545 41.443 4.102 17952 7188 1 15 . 1 1 49 49 LEU H H 49 8.957 8.957 7.648 1.309 17952 7189 1 15 . 1 1 50 50 THR N N 50 120.870 120.870 125.358 -4.488 17952 7190 1 15 . 1 1 50 50 THR HA H 50 4.616 4.616 4.543 0.073 17952 7191 1 15 . 1 1 50 50 THR H H 50 9.419 9.419 9.050 0.369 17952 7192 1 15 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.472 -0.116 17952 7193 1 15 . 1 1 51 51 VAL CA C 51 60.110 60.110 59.351 0.759 17952 7194 1 15 . 1 1 51 51 VAL CB C 51 32.291 32.291 32.605 -0.314 17952 7195 1 15 . 1 1 52 52 ALA N N 52 129.415 129.415 128.550 0.865 17952 7196 1 15 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.626 -1.314 17952 7197 1 15 . 1 1 52 52 ALA H H 52 9.046 9.046 8.127 0.919 17952 7198 1 15 . 1 1 53 53 LYS N N 53 125.023 125.023 121.526 3.497 17952 7199 1 15 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.223 -0.134 17952 7200 1 15 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.865 0.870 17952 7201 1 15 . 1 1 53 53 LYS CB C 53 32.096 32.096 31.908 0.188 17952 7202 1 15 . 1 1 53 53 LYS H H 53 8.811 8.811 8.667 0.144 17952 7203 1 15 . 1 1 54 54 LYS N N 54 114.126 114.126 114.232 -0.106 17952 7204 1 15 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.487 -0.446 17952 7205 1 15 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.187 1.766 17952 7206 1 15 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.425 -0.495 17952 7207 1 15 . 1 1 54 54 LYS H H 54 8.073 8.073 7.926 0.147 17952 7208 1 15 . 1 1 55 55 ASN N N 55 115.234 115.234 117.474 -2.240 17952 7209 1 15 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.855 0.003 17952 7210 1 15 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.215 -0.438 17952 7211 1 15 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.271 -0.742 17952 7212 1 15 . 1 1 55 55 ASN H H 55 7.434 7.434 7.650 -0.216 17952 7213 1 15 . 1 1 56 56 VAL N N 56 121.000 121.000 123.011 -2.011 17952 7214 1 15 . 1 1 56 56 VAL HA H 56 4.173 4.173 3.995 0.178 17952 7215 1 15 . 1 1 56 56 VAL CA C 56 61.761 61.761 63.165 -1.404 17952 7216 1 15 . 1 1 56 56 VAL CB C 56 33.033 33.033 30.617 2.416 17952 7217 1 15 . 1 1 56 56 VAL H H 56 7.764 7.764 7.361 0.403 17952 7218 1 15 . 1 1 57 57 ARG N N 57 125.781 125.781 125.294 0.487 17952 7219 1 15 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.341 -0.141 17952 7220 1 15 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.396 2.250 17952 7221 1 15 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.776 0.228 17952 7222 1 15 . 1 1 57 57 ARG H H 57 8.441 8.441 7.807 0.634 17952 7223 1 15 . 1 1 58 58 ARG N N 58 118.159 118.159 119.476 -1.317 17952 7224 1 15 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.399 0.195 17952 7225 1 15 . 1 1 58 58 ARG H H 58 8.250 8.250 7.733 0.517 17952 7226 1 15 . 1 1 60 60 HIS N N 60 116.957 116.957 111.112 5.845 17952 7227 1 15 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.425 0.010 17952 7228 1 15 . 1 1 60 60 HIS CA C 60 59.605 59.605 56.513 3.092 17952 7229 1 15 . 1 1 60 60 HIS CB C 60 29.947 29.947 28.560 1.387 17952 7230 1 15 . 1 1 60 60 HIS H H 60 7.600 7.600 8.084 -0.484 17952 7231 1 15 . 1 1 61 61 GLU N N 61 119.542 119.542 119.045 0.497 17952 7232 1 15 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.416 0.013 17952 7233 1 15 . 1 1 61 61 GLU CA C 61 57.628 57.628 57.492 0.136 17952 7234 1 15 . 1 1 61 61 GLU CB C 61 29.805 29.805 29.805 -0.000 17952 7235 1 15 . 1 1 61 61 GLU H H 61 6.702 6.702 7.570 -0.868 17952 7236 1 15 . 1 1 62 62 ARG N N 62 120.227 120.227 120.628 -0.401 17952 7237 1 15 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.053 -0.320 17952 7238 1 15 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.480 2.050 17952 7239 1 15 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.291 -0.680 17952 7240 1 15 . 1 1 62 62 ARG H H 62 7.951 7.951 7.778 0.173 17952 7241 1 15 . 1 1 63 63 ASN N N 63 116.757 116.757 114.288 2.469 17952 7242 1 15 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.713 -0.279 17952 7243 1 15 . 1 1 63 63 ASN CA C 63 56.208 56.208 54.805 1.403 17952 7244 1 15 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.627 -0.802 17952 7245 1 15 . 1 1 63 63 ASN H H 63 8.365 8.365 7.791 0.574 17952 7246 1 15 . 1 1 64 64 ARG N N 64 123.093 123.093 119.489 3.604 17952 7247 1 15 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.320 -0.264 17952 7248 1 15 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.397 1.741 17952 7249 1 15 . 1 1 64 64 ARG CB C 64 30.832 30.832 31.210 -0.378 17952 7250 1 15 . 1 1 64 64 ARG H H 64 7.770 7.770 7.595 0.175 17952 7251 1 15 . 1 1 65 65 ILE N N 65 117.911 117.911 119.561 -1.650 17952 7252 1 15 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.950 -0.425 17952 7253 1 15 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.286 1.429 17952 7254 1 15 . 1 1 65 65 ILE CB C 65 37.645 37.645 37.282 0.363 17952 7255 1 15 . 1 1 65 65 ILE H H 65 8.121 8.121 8.488 -0.367 17952 7256 1 15 . 1 1 66 66 LYS N N 66 122.635 122.635 116.786 5.849 17952 7257 1 15 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.500 -0.729 17952 7258 1 15 . 1 1 66 66 LYS CA C 66 60.935 60.935 57.101 3.834 17952 7259 1 15 . 1 1 66 66 LYS CB C 66 32.424 32.424 31.698 0.726 17952 7260 1 15 . 1 1 66 66 LYS H H 66 8.337 8.337 7.717 0.620 17952 7261 1 15 . 1 1 67 67 ARG N N 67 119.137 119.137 119.535 -0.398 17952 7262 1 15 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.193 -0.185 17952 7263 1 15 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.959 1.030 17952 7264 1 15 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.457 -0.422 17952 7265 1 15 . 1 1 67 67 ARG H H 67 8.257 8.257 7.401 0.856 17952 7266 1 15 . 1 1 68 68 LEU N N 68 119.084 119.084 119.866 -0.782 17952 7267 1 15 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.276 -0.168 17952 7268 1 15 . 1 1 68 68 LEU CA C 68 58.022 58.022 57.887 0.135 17952 7269 1 15 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.510 0.092 17952 7270 1 15 . 1 1 68 68 LEU H H 68 8.427 8.427 7.895 0.532 17952 7271 1 15 . 1 1 69 69 THR N N 69 118.019 118.019 111.282 6.737 17952 7272 1 15 . 1 1 69 69 THR CA C 69 67.701 67.701 65.105 2.596 17952 7273 1 15 . 1 1 69 69 THR H H 69 8.433 8.433 7.865 0.568 17952 7274 1 15 . 1 1 70 70 ARG N N 70 122.713 122.713 121.035 1.678 17952 7275 1 15 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.287 2.123 17952 7276 1 15 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.023 0.027 17952 7277 1 15 . 1 1 70 70 ARG H H 70 8.346 8.346 8.506 -0.160 17952 7278 1 15 . 1 1 71 71 GLU N N 71 118.890 118.890 116.518 2.372 17952 7279 1 15 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.350 -0.084 17952 7280 1 15 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.277 1.204 17952 7281 1 15 . 1 1 71 71 GLU CB C 71 29.316 29.316 30.564 -1.248 17952 7282 1 15 . 1 1 71 71 GLU H H 71 8.334 8.334 7.599 0.735 17952 7283 1 15 . 1 1 72 72 SER N N 72 114.922 114.922 115.528 -0.606 17952 7284 1 15 . 1 1 72 72 SER HA H 72 4.243 4.243 4.142 0.101 17952 7285 1 15 . 1 1 72 72 SER CA C 72 61.292 61.292 61.359 -0.067 17952 7286 1 15 . 1 1 72 72 SER CB C 72 63.065 63.065 63.014 0.051 17952 7287 1 15 . 1 1 72 72 SER H H 72 8.205 8.205 7.857 0.348 17952 7288 1 15 . 1 1 73 73 PHE N N 73 122.665 122.665 118.125 4.540 17952 7289 1 15 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.312 -1.203 17952 7290 1 15 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.007 0.528 17952 7291 1 15 . 1 1 73 73 PHE H H 73 7.788 7.788 7.347 0.441 17952 7292 1 15 . 1 1 74 74 ARG N N 74 119.417 119.417 118.923 0.494 17952 7293 1 15 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.469 -0.572 17952 7294 1 15 . 1 1 74 74 ARG CA C 74 59.201 59.201 56.872 2.329 17952 7295 1 15 . 1 1 74 74 ARG CB C 74 29.981 29.981 33.398 -3.417 17952 7296 1 15 . 1 1 74 74 ARG H H 74 8.580 8.580 7.720 0.860 17952 7297 1 15 . 1 1 75 75 LEU N N 75 117.144 117.144 121.157 -4.013 17952 7298 1 15 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.212 -0.116 17952 7299 1 15 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.581 0.636 17952 7300 1 15 . 1 1 75 75 LEU CB C 75 42.788 42.788 41.961 0.827 17952 7301 1 15 . 1 1 75 75 LEU H H 75 7.903 7.903 8.136 -0.233 17952 7302 1 15 . 1 1 76 76 ARG N N 76 113.888 113.888 117.554 -3.666 17952 7303 1 15 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.488 -0.065 17952 7304 1 15 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.185 -0.699 17952 7305 1 15 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.119 2.748 17952 7306 1 15 . 1 1 76 76 ARG H H 76 6.736 6.736 7.767 -1.031 17952 7307 1 15 . 1 1 77 77 GLN N N 77 120.009 120.009 120.136 -0.127 17952 7308 1 15 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.219 2.037 17952 7309 1 15 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.939 0.649 17952 7310 1 15 . 1 1 77 77 GLN H H 77 7.273 7.273 8.107 -0.834 17952 7311 1 15 . 1 1 78 78 HIS N N 78 114.954 114.954 119.628 -4.674 17952 7312 1 15 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.572 -0.127 17952 7313 1 15 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.586 0.214 17952 7314 1 15 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.235 -0.833 17952 7315 1 15 . 1 1 78 78 HIS H H 78 8.389 8.389 8.101 0.288 17952 7316 1 15 . 1 1 79 79 GLU N N 79 118.231 118.231 120.933 -2.702 17952 7317 1 15 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.497 -0.090 17952 7318 1 15 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.375 0.017 17952 7319 1 15 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.675 1.621 17952 7320 1 15 . 1 1 79 79 GLU H H 79 7.717 7.717 8.027 -0.310 17952 7321 1 15 . 1 1 80 80 LEU N N 80 119.751 119.751 124.624 -4.873 17952 7322 1 15 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.753 -0.199 17952 7323 1 15 . 1 1 80 80 LEU H H 80 6.859 6.859 8.007 -1.148 17952 7324 1 15 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.554 0.017 17952 7325 1 15 . 1 1 81 81 PRO CA C 81 61.725 61.725 63.081 -1.356 17952 7326 1 15 . 1 1 81 81 PRO CB C 81 32.332 32.332 31.889 0.443 17952 7327 1 15 . 1 1 82 82 ALA N N 82 122.525 122.525 129.481 -6.956 17952 7328 1 15 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.450 -0.692 17952 7329 1 15 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.706 -2.798 17952 7330 1 15 . 1 1 82 82 ALA H H 82 8.425 8.425 8.519 -0.094 17952 7331 1 15 . 1 1 83 83 MET N N 83 122.963 122.963 120.059 2.904 17952 7332 1 15 . 1 1 83 83 MET HA H 83 4.387 4.387 4.736 -0.349 17952 7333 1 15 . 1 1 83 83 MET CA C 83 54.002 54.002 53.681 0.321 17952 7334 1 15 . 1 1 83 83 MET CB C 83 35.655 35.655 35.405 0.250 17952 7335 1 15 . 1 1 83 83 MET H H 83 7.851 7.851 7.600 0.251 17952 7336 1 15 . 1 1 84 84 ASP N N 84 121.733 121.733 118.394 3.339 17952 7337 1 15 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.391 0.361 17952 7338 1 15 . 1 1 84 84 ASP CA C 84 53.638 53.638 54.229 -0.591 17952 7339 1 15 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.834 0.156 17952 7340 1 15 . 1 1 84 84 ASP H H 84 8.393 8.393 8.287 0.105 17952 7341 1 15 . 1 1 85 85 PHE N N 85 121.368 121.368 117.549 3.819 17952 7342 1 15 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.705 1.251 17952 7343 1 15 . 1 1 85 85 PHE CB C 85 42.080 42.080 39.254 2.826 17952 7344 1 15 . 1 1 85 85 PHE H H 85 8.849 8.849 8.102 0.747 17952 7345 1 15 . 1 1 86 86 VAL N N 86 120.431 120.431 124.693 -4.262 17952 7346 1 15 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.098 0.518 17952 7347 1 15 . 1 1 86 86 VAL CA C 86 60.874 60.874 62.884 -2.010 17952 7348 1 15 . 1 1 86 86 VAL CB C 86 34.882 34.882 30.542 4.340 17952 7349 1 15 . 1 1 86 86 VAL H H 86 9.407 9.407 8.280 1.127 17952 7350 1 15 . 1 1 87 87 VAL N N 87 127.860 127.860 129.667 -1.807 17952 7351 1 15 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.292 0.325 17952 7352 1 15 . 1 1 87 87 VAL CA C 87 61.420 61.420 62.101 -0.681 17952 7353 1 15 . 1 1 87 87 VAL CB C 87 32.122 32.122 31.521 0.601 17952 7354 1 15 . 1 1 87 87 VAL H H 87 8.843 8.843 8.490 0.353 17952 7355 1 15 . 1 1 88 88 VAL N N 88 128.150 128.150 129.084 -0.934 17952 7356 1 15 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.395 0.260 17952 7357 1 15 . 1 1 88 88 VAL CA C 88 61.265 61.265 61.560 -0.295 17952 7358 1 15 . 1 1 88 88 VAL CB C 88 33.439 33.439 31.215 2.224 17952 7359 1 15 . 1 1 88 88 VAL H H 88 9.538 9.538 9.112 0.426 17952 7360 1 15 . 1 1 89 89 ALA N N 89 128.337 128.337 132.570 -4.233 17952 7361 1 15 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.739 -0.135 17952 7362 1 15 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.506 1.365 17952 7363 1 15 . 1 1 89 89 ALA H H 89 8.170 8.170 8.517 -0.347 17952 7364 1 15 . 1 1 90 90 LYS N N 90 123.110 123.110 124.832 -1.722 17952 7365 1 15 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.623 -0.146 17952 7366 1 15 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.996 1.114 17952 7367 1 15 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.768 -0.313 17952 7368 1 15 . 1 1 90 90 LYS H H 90 8.231 8.231 8.757 -0.526 17952 7369 1 15 . 1 1 91 91 LYS N N 91 119.291 119.291 119.474 -0.183 17952 7370 1 15 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.189 -0.141 17952 7371 1 15 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.360 1.811 17952 7372 1 15 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.570 -0.351 17952 7373 1 15 . 1 1 91 91 LYS H H 91 8.162 8.162 8.473 -0.311 17952 7374 1 15 . 1 1 92 92 GLY N N 92 112.991 112.991 108.564 4.427 17952 7375 1 15 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.697 -0.561 17952 7376 1 15 . 1 1 92 92 GLY H H 92 8.783 8.783 8.876 -0.093 17952 7377 1 15 . 1 1 93 93 VAL N N 93 122.937 122.937 116.689 6.248 17952 7378 1 15 . 1 1 93 93 VAL HA H 93 3.730 3.730 4.094 -0.364 17952 7379 1 15 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.228 0.683 17952 7380 1 15 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.856 -1.858 17952 7381 1 15 . 1 1 93 93 VAL H H 93 8.363 8.363 7.152 1.211 17952 7382 1 15 . 1 1 94 94 ALA N N 94 119.882 119.882 120.894 -1.012 17952 7383 1 15 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.219 -0.123 17952 7384 1 15 . 1 1 94 94 ALA CB C 94 18.669 18.669 16.902 1.767 17952 7385 1 15 . 1 1 94 94 ALA H H 94 7.960 7.960 8.166 -0.206 17952 7386 1 15 . 1 1 95 95 ASP N N 95 114.705 114.705 120.157 -5.452 17952 7387 1 15 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.639 -0.147 17952 7388 1 15 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.423 0.438 17952 7389 1 15 . 1 1 95 95 ASP CB C 95 40.883 40.883 42.982 -2.099 17952 7390 1 15 . 1 1 95 95 ASP H H 95 7.360 7.360 8.373 -1.013 17952 7391 1 15 . 1 1 96 96 LEU N N 96 120.424 120.424 124.210 -3.786 17952 7392 1 15 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.190 0.268 17952 7393 1 15 . 1 1 96 96 LEU CA C 96 54.357 54.357 55.539 -1.182 17952 7394 1 15 . 1 1 96 96 LEU CB C 96 42.433 42.433 41.821 0.612 17952 7395 1 15 . 1 1 96 96 LEU H H 96 7.389 7.389 7.544 -0.155 17952 7396 1 15 . 1 1 97 97 ASP N N 97 123.018 123.018 125.100 -2.082 17952 7397 1 15 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.476 0.054 17952 7398 1 15 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.547 -1.712 17952 7399 1 15 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.667 -2.165 17952 7400 1 15 . 1 1 97 97 ASP H H 97 8.473 8.473 8.428 0.045 17952 7401 1 15 . 1 1 98 98 ASN N N 98 117.692 117.692 119.967 -2.275 17952 7402 1 15 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.321 -0.185 17952 7403 1 15 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.534 0.331 17952 7404 1 15 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.396 -1.456 17952 7405 1 15 . 1 1 98 98 ASN H H 98 8.651 8.651 8.625 0.026 17952 7406 1 15 . 1 1 99 99 ARG N N 99 120.819 120.819 120.485 0.334 17952 7407 1 15 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.081 -0.028 17952 7408 1 15 . 1 1 99 99 ARG CA C 99 59.498 59.498 59.621 -0.123 17952 7409 1 15 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.305 -0.988 17952 7410 1 15 . 1 1 99 99 ARG H H 99 8.191 8.191 9.133 -0.942 17952 7411 1 15 . 1 1 100 100 ALA N N 100 122.928 122.928 121.776 1.152 17952 7412 1 15 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.089 0.062 17952 7413 1 15 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.704 0.345 17952 7414 1 15 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.255 0.742 17952 7415 1 15 . 1 1 100 100 ALA H H 100 8.524 8.524 8.027 0.497 17952 7416 1 15 . 1 1 101 101 LEU N N 101 120.795 120.795 117.740 3.055 17952 7417 1 15 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.920 0.178 17952 7418 1 15 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.816 0.419 17952 7419 1 15 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.472 0.037 17952 7420 1 15 . 1 1 101 101 LEU H H 101 8.961 8.961 8.364 0.597 17952 7421 1 15 . 1 1 102 102 SER N N 102 115.314 115.314 113.963 1.351 17952 7422 1 15 . 1 1 102 102 SER HA H 102 4.123 4.123 4.180 -0.057 17952 7423 1 15 . 1 1 102 102 SER CB C 102 62.761 62.761 62.862 -0.101 17952 7424 1 15 . 1 1 102 102 SER H H 102 8.459 8.459 7.626 0.833 17952 7425 1 15 . 1 1 103 103 GLU N N 103 122.468 122.468 120.125 2.343 17952 7426 1 15 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.171 -0.041 17952 7427 1 15 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.316 1.152 17952 7428 1 15 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.639 -0.111 17952 7429 1 15 . 1 1 103 103 GLU H H 103 8.492 8.492 8.149 0.343 17952 7430 1 15 . 1 1 104 104 ALA N N 104 123.159 123.159 122.043 1.116 17952 7431 1 15 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.306 -0.216 17952 7432 1 15 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.248 0.994 17952 7433 1 15 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.650 -0.823 17952 7434 1 15 . 1 1 104 104 ALA H H 104 8.074 8.074 7.711 0.363 17952 7435 1 15 . 1 1 105 105 LEU N N 105 116.602 116.602 120.350 -3.748 17952 7436 1 15 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.859 -0.307 17952 7437 1 15 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.964 0.440 17952 7438 1 15 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.065 -0.446 17952 7439 1 15 . 1 1 105 105 LEU H H 105 8.318 8.318 7.616 0.702 17952 7440 1 15 . 1 1 106 106 GLU N N 106 117.564 117.564 117.655 -0.091 17952 7441 1 15 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.076 0.156 17952 7442 1 15 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.461 0.955 17952 7443 1 15 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.856 0.069 17952 7444 1 15 . 1 1 106 106 GLU H H 106 8.009 8.009 8.117 -0.108 17952 7445 1 15 . 1 1 107 107 LYS N N 107 117.286 117.286 118.757 -1.471 17952 7446 1 15 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.100 -0.126 17952 7447 1 15 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.357 1.550 17952 7448 1 15 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.585 0.796 17952 7449 1 15 . 1 1 107 107 LYS H H 107 7.787 7.787 7.488 0.299 17952 7450 1 15 . 1 1 108 108 LEU N N 108 120.504 120.504 120.443 0.061 17952 7451 1 15 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.936 0.043 17952 7452 1 15 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.959 -0.142 17952 7453 1 15 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.502 0.798 17952 7454 1 15 . 1 1 108 108 LEU H H 108 7.875 7.875 7.345 0.530 17952 7455 1 15 . 1 1 109 109 TRP N N 109 120.547 120.547 121.210 -0.663 17952 7456 1 15 . 1 1 109 109 TRP CA C 109 59.887 59.887 59.908 -0.021 17952 7457 1 15 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.693 1.070 17952 7458 1 15 . 1 1 109 109 TRP H H 109 9.048 9.048 7.932 1.116 17952 7459 1 15 . 1 1 110 110 ARG N N 110 117.678 117.678 117.452 0.226 17952 7460 1 15 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.624 0.450 17952 7461 1 15 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.895 0.348 17952 7462 1 15 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.704 -0.063 17952 7463 1 15 . 1 1 110 110 ARG H H 110 8.425 8.425 8.492 -0.067 17952 7464 1 15 . 1 1 111 111 ARG N N 111 121.156 121.156 118.439 2.717 17952 7465 1 15 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.179 -0.004 17952 7466 1 15 . 1 1 111 111 ARG CA C 111 59.068 59.068 57.728 1.340 17952 7467 1 15 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.496 -0.426 17952 7468 1 15 . 1 1 111 111 ARG H H 111 8.100 8.100 7.540 0.560 17952 7469 1 15 . 1 1 112 112 HIS N N 112 118.118 118.118 119.963 -1.845 17952 7470 1 15 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.248 0.055 17952 7471 1 15 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.629 2.906 17952 7472 1 15 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.044 1.873 17952 7473 1 15 . 1 1 112 112 HIS H H 112 8.250 8.250 8.032 0.218 17952 7474 1 15 . 1 1 113 113 CYS N N 113 117.579 117.579 116.803 0.776 17952 7475 1 15 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.674 0.590 17952 7476 1 15 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.838 2.298 17952 7477 1 15 . 1 1 113 113 CYS CB C 113 26.785 26.785 26.701 0.084 17952 7478 1 15 . 1 1 113 113 CYS H H 113 8.181 8.181 8.274 -0.093 17952 7479 1 15 . 1 1 114 114 ARG N N 114 120.172 120.172 118.149 2.023 17952 7480 1 15 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.061 0.086 17952 7481 1 15 . 1 1 114 114 ARG CA C 114 59.050 59.050 57.949 1.101 17952 7482 1 15 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.506 0.312 17952 7483 1 15 . 1 1 114 114 ARG H H 114 7.870 7.870 7.512 0.358 17952 7484 1 15 . 1 1 115 115 LEU N N 115 120.720 120.720 121.115 -0.395 17952 7485 1 15 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.299 -0.182 17952 7486 1 15 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.110 0.252 17952 7487 1 15 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.884 0.018 17952 7488 1 15 . 1 1 115 115 LEU H H 115 8.690 8.690 7.777 0.913 17952 7489 1 15 . 1 1 116 116 ALA N N 116 119.118 119.118 118.646 0.472 17952 7490 1 15 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.251 0.116 17952 7491 1 15 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.899 0.189 17952 7492 1 15 . 1 1 116 116 ALA H H 116 7.751 7.751 7.686 0.065 17952 7493 1 15 . 1 1 117 117 ARG N N 117 117.010 117.010 116.467 0.543 17952 7494 1 15 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.383 0.005 17952 7495 1 15 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.962 1.084 17952 7496 1 15 . 1 1 117 117 ARG CB C 117 30.858 30.858 32.718 -1.859 17952 7497 1 15 . 1 1 117 117 ARG H H 117 7.602 7.602 7.367 0.235 17952 7498 1 15 . 1 1 118 118 GLY N N 118 108.836 108.836 109.026 -0.190 17952 7499 1 15 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.549 1.017 17952 7500 1 15 . 1 1 118 118 GLY H H 118 8.087 8.087 8.189 -0.102 17952 7501 1 16 . 1 1 3 3 LYS CA C 3 56.191 56.191 57.651 -1.460 17952 7502 1 16 . 1 1 3 3 LYS CB C 3 32.966 32.966 32.370 0.596 17952 7503 1 16 . 1 1 4 4 LEU N N 4 125.667 125.667 118.750 6.917 17952 7504 1 16 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.198 0.189 17952 7505 1 16 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.109 -0.442 17952 7506 1 16 . 1 1 4 4 LEU CB C 4 42.618 42.618 42.450 0.168 17952 7507 1 16 . 1 1 4 4 LEU H H 4 8.498 8.498 7.848 0.650 17952 7508 1 16 . 1 1 5 5 ALA N N 5 126.419 126.419 118.676 7.743 17952 7509 1 16 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.528 -0.157 17952 7510 1 16 . 1 1 5 5 ALA CB C 5 19.337 19.337 21.240 -1.903 17952 7511 1 16 . 1 1 5 5 ALA H H 5 8.435 8.435 6.903 1.532 17952 7512 1 16 . 1 1 6 6 PHE N N 6 124.718 124.718 117.215 7.503 17952 7513 1 16 . 1 1 6 6 PHE H H 6 8.714 8.714 8.306 0.408 17952 7514 1 16 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.696 -0.460 17952 7515 1 16 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.709 1.027 17952 7516 1 16 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.621 -0.219 17952 7517 1 16 . 1 1 8 8 ARG N N 8 124.351 124.351 121.219 3.132 17952 7518 1 16 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.422 -0.638 17952 7519 1 16 . 1 1 8 8 ARG CA C 8 59.972 59.972 57.949 2.023 17952 7520 1 16 . 1 1 8 8 ARG CB C 8 30.256 30.256 30.038 0.218 17952 7521 1 16 . 1 1 8 8 ARG H H 8 8.650 8.650 8.696 -0.046 17952 7522 1 16 . 1 1 9 9 GLU N N 9 117.015 117.015 118.675 -1.660 17952 7523 1 16 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.152 0.089 17952 7524 1 16 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.071 0.465 17952 7525 1 16 . 1 1 9 9 GLU CB C 9 28.286 28.286 28.900 -0.614 17952 7526 1 16 . 1 1 9 9 GLU H H 9 9.522 9.522 8.323 1.199 17952 7527 1 16 . 1 1 10 10 LEU N N 10 116.269 116.269 118.544 -2.275 17952 7528 1 16 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.302 0.380 17952 7529 1 16 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.803 -1.480 17952 7530 1 16 . 1 1 10 10 LEU CB C 10 42.305 42.305 43.449 -1.144 17952 7531 1 16 . 1 1 10 10 LEU H H 10 7.285 7.285 7.546 -0.262 17952 7532 1 16 . 1 1 11 11 ARG N N 11 116.982 116.982 118.493 -1.511 17952 7533 1 16 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.481 0.564 17952 7534 1 16 . 1 1 11 11 ARG CA C 11 55.671 55.671 54.870 0.801 17952 7535 1 16 . 1 1 11 11 ARG CB C 11 32.827 32.827 32.157 0.670 17952 7536 1 16 . 1 1 11 11 ARG H H 11 7.618 7.618 7.564 0.054 17952 7537 1 16 . 1 1 12 12 LEU N N 12 119.127 119.127 127.771 -8.644 17952 7538 1 16 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.453 -0.124 17952 7539 1 16 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.783 -0.668 17952 7540 1 16 . 1 1 12 12 LEU CB C 12 41.683 41.683 41.128 0.555 17952 7541 1 16 . 1 1 12 12 LEU H H 12 7.289 7.289 8.641 -1.352 17952 7542 1 16 . 1 1 13 13 LEU N N 13 123.181 123.181 125.421 -2.240 17952 7543 1 16 . 1 1 13 13 LEU HA H 13 4.747 4.747 5.028 -0.281 17952 7544 1 16 . 1 1 13 13 LEU CA C 13 56.190 56.190 53.144 3.046 17952 7545 1 16 . 1 1 13 13 LEU CB C 13 46.234 46.234 43.174 3.060 17952 7546 1 16 . 1 1 13 13 LEU H H 13 8.816 8.816 7.998 0.818 17952 7547 1 16 . 1 1 14 14 THR N N 14 111.810 111.810 116.171 -4.361 17952 7548 1 16 . 1 1 14 14 THR HA H 14 5.104 5.104 4.617 0.487 17952 7549 1 16 . 1 1 14 14 THR H H 14 8.321 8.321 8.219 0.102 17952 7550 1 16 . 1 1 16 16 SER HA H 16 4.282 4.282 4.594 -0.312 17952 7551 1 16 . 1 1 16 16 SER CB C 16 62.228 62.228 64.378 -2.150 17952 7552 1 16 . 1 1 17 17 GLN N N 17 122.336 122.336 124.430 -2.094 17952 7553 1 16 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.048 0.030 17952 7554 1 16 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.912 -0.790 17952 7555 1 16 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.360 0.743 17952 7556 1 16 . 1 1 17 17 GLN H H 17 7.967 7.967 8.994 -1.027 17952 7557 1 16 . 1 1 18 18 PHE N N 18 119.658 119.658 116.107 3.551 17952 7558 1 16 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.416 0.224 17952 7559 1 16 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.281 0.209 17952 7560 1 16 . 1 1 18 18 PHE H H 18 7.733 7.733 8.145 -0.412 17952 7561 1 16 . 1 1 19 19 THR N N 19 116.141 116.141 114.516 1.625 17952 7562 1 16 . 1 1 19 19 THR HA H 19 3.911 3.911 4.301 -0.390 17952 7563 1 16 . 1 1 19 19 THR CA C 19 67.058 67.058 64.692 2.366 17952 7564 1 16 . 1 1 19 19 THR CB C 19 68.790 68.790 69.265 -0.475 17952 7565 1 16 . 1 1 19 19 THR H H 19 8.622 8.622 7.879 0.743 17952 7566 1 16 . 1 1 20 20 PHE N N 20 119.904 119.904 122.618 -2.714 17952 7567 1 16 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.376 -0.227 17952 7568 1 16 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.543 -0.283 17952 7569 1 16 . 1 1 20 20 PHE H H 20 7.728 7.728 7.828 -0.100 17952 7570 1 16 . 1 1 21 21 VAL N N 21 117.896 117.896 116.859 1.037 17952 7571 1 16 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.762 -0.680 17952 7572 1 16 . 1 1 21 21 VAL CA C 21 66.336 66.336 65.179 1.157 17952 7573 1 16 . 1 1 21 21 VAL CB C 21 31.589 31.589 30.512 1.077 17952 7574 1 16 . 1 1 21 21 VAL H H 21 6.861 6.861 8.155 -1.294 17952 7575 1 16 . 1 1 22 22 PHE N N 22 114.352 114.352 119.901 -5.549 17952 7576 1 16 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.357 -0.346 17952 7577 1 16 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.959 -0.374 17952 7578 1 16 . 1 1 22 22 PHE H H 22 7.653 7.653 8.007 -0.354 17952 7579 1 16 . 1 1 23 23 GLN N N 23 116.245 116.245 117.755 -1.510 17952 7580 1 16 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.043 -0.010 17952 7581 1 16 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.526 0.889 17952 7582 1 16 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.414 -0.464 17952 7583 1 16 . 1 1 23 23 GLN H H 23 7.928 7.928 7.550 0.378 17952 7584 1 16 . 1 1 24 24 GLN N N 24 114.087 114.087 116.601 -2.514 17952 7585 1 16 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.661 -0.236 17952 7586 1 16 . 1 1 24 24 GLN CA C 24 54.691 54.691 54.762 -0.071 17952 7587 1 16 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.770 -1.312 17952 7588 1 16 . 1 1 24 24 GLN H H 24 6.731 6.731 7.579 -0.848 17952 7589 1 16 . 1 1 25 25 PRO HA H 25 5.028 5.028 5.108 -0.080 17952 7590 1 16 . 1 1 25 25 PRO CA C 25 63.179 63.179 61.564 1.615 17952 7591 1 16 . 1 1 25 25 PRO CB C 25 32.577 32.577 33.735 -1.158 17952 7592 1 16 . 1 1 26 26 GLN N N 26 120.107 120.107 119.835 0.272 17952 7593 1 16 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.123 0.156 17952 7594 1 16 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.833 0.723 17952 7595 1 16 . 1 1 26 26 GLN H H 26 9.622 9.622 8.789 0.833 17952 7596 1 16 . 1 1 27 27 ARG N N 27 125.712 125.712 126.852 -1.140 17952 7597 1 16 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.312 0.908 17952 7598 1 16 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.323 0.802 17952 7599 1 16 . 1 1 27 27 ARG CB C 27 34.641 34.641 28.884 5.758 17952 7600 1 16 . 1 1 27 27 ARG H H 27 9.068 9.068 8.825 0.243 17952 7601 1 16 . 1 1 28 28 ALA N N 28 123.402 123.402 126.698 -3.296 17952 7602 1 16 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.651 -0.137 17952 7603 1 16 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.107 -0.188 17952 7604 1 16 . 1 1 28 28 ALA H H 28 8.102 8.102 7.783 0.319 17952 7605 1 16 . 1 1 29 29 GLY N N 29 109.532 109.532 108.116 1.416 17952 7606 1 16 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.890 1.994 17952 7607 1 16 . 1 1 29 29 GLY H H 29 8.572 8.572 8.356 0.216 17952 7608 1 16 . 1 1 30 30 THR N N 30 113.168 113.168 111.661 1.507 17952 7609 1 16 . 1 1 30 30 THR HA H 30 4.953 4.953 4.953 -0.000 17952 7610 1 16 . 1 1 30 30 THR H H 30 9.199 9.199 8.499 0.700 17952 7611 1 16 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.426 -0.129 17952 7612 1 16 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.841 0.670 17952 7613 1 16 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.940 -0.957 17952 7614 1 16 . 1 1 32 32 GLN N N 32 110.281 110.281 113.860 -3.579 17952 7615 1 16 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.318 -0.123 17952 7616 1 16 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.594 1.884 17952 7617 1 16 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.474 -0.478 17952 7618 1 16 . 1 1 32 32 GLN H H 32 7.403 7.403 8.149 -0.746 17952 7619 1 16 . 1 1 33 33 ILE N N 33 118.254 118.254 119.953 -1.699 17952 7620 1 16 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.303 -0.063 17952 7621 1 16 . 1 1 33 33 ILE CB C 33 42.791 42.791 40.020 2.771 17952 7622 1 16 . 1 1 33 33 ILE H H 33 7.353 7.353 7.295 0.058 17952 7623 1 16 . 1 1 34 34 THR N N 34 122.650 122.650 126.187 -3.537 17952 7624 1 16 . 1 1 34 34 THR HA H 34 4.946 4.946 4.943 0.003 17952 7625 1 16 . 1 1 34 34 THR CA C 34 61.792 61.792 61.550 0.242 17952 7626 1 16 . 1 1 34 34 THR CB C 34 71.752 71.752 69.966 1.786 17952 7627 1 16 . 1 1 34 34 THR H H 34 8.787 8.787 8.460 0.327 17952 7628 1 16 . 1 1 35 35 ILE N N 35 123.778 123.778 128.489 -4.711 17952 7629 1 16 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.203 0.958 17952 7630 1 16 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.815 0.899 17952 7631 1 16 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.893 2.150 17952 7632 1 16 . 1 1 35 35 ILE H H 35 9.109 9.109 8.910 0.199 17952 7633 1 16 . 1 1 36 36 LEU N N 36 132.558 132.558 129.912 2.646 17952 7634 1 16 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.838 0.796 17952 7635 1 16 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.034 0.210 17952 7636 1 16 . 1 1 36 36 LEU CB C 36 44.498 44.498 39.971 4.527 17952 7637 1 16 . 1 1 36 36 LEU H H 36 9.500 9.500 8.857 0.643 17952 7638 1 16 . 1 1 37 37 GLY N N 37 106.940 106.940 110.387 -3.447 17952 7639 1 16 . 1 1 37 37 GLY CA C 37 45.258 45.258 43.735 1.523 17952 7640 1 16 . 1 1 37 37 GLY H H 37 9.058 9.058 8.118 0.940 17952 7641 1 16 . 1 1 38 38 ARG N N 38 121.378 121.378 120.742 0.636 17952 7642 1 16 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.501 0.151 17952 7643 1 16 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.551 0.734 17952 7644 1 16 . 1 1 38 38 ARG CB C 38 35.176 35.176 34.231 0.945 17952 7645 1 16 . 1 1 38 38 ARG H H 38 8.384 8.384 8.060 0.324 17952 7646 1 16 . 1 1 39 39 LEU N N 39 129.596 129.596 122.866 6.730 17952 7647 1 16 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.912 0.560 17952 7648 1 16 . 1 1 39 39 LEU H H 39 9.030 9.030 8.443 0.587 17952 7649 1 16 . 1 1 40 40 ASN N N 40 119.921 119.921 119.646 0.275 17952 7650 1 16 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.195 -0.649 17952 7651 1 16 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.386 -0.298 17952 7652 1 16 . 1 1 40 40 ASN H H 40 8.186 8.186 8.150 0.036 17952 7653 1 16 . 1 1 41 41 SER N N 41 112.600 112.600 116.516 -3.916 17952 7654 1 16 . 1 1 41 41 SER HA H 41 4.484 4.484 4.739 -0.255 17952 7655 1 16 . 1 1 41 41 SER CB C 41 62.949 62.949 62.325 0.624 17952 7656 1 16 . 1 1 41 41 SER H H 41 8.646 8.646 8.749 -0.103 17952 7657 1 16 . 1 1 42 42 LEU N N 42 120.612 120.612 124.872 -4.260 17952 7658 1 16 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.454 -0.120 17952 7659 1 16 . 1 1 42 42 LEU CA C 42 54.828 54.828 56.066 -1.238 17952 7660 1 16 . 1 1 42 42 LEU CB C 42 43.713 43.713 43.247 0.466 17952 7661 1 16 . 1 1 42 42 LEU H H 42 8.538 8.538 7.930 0.608 17952 7662 1 16 . 1 1 43 43 GLY N N 43 105.922 105.922 109.636 -3.714 17952 7663 1 16 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.661 -0.390 17952 7664 1 16 . 1 1 43 43 GLY H H 43 8.317 8.317 8.246 0.071 17952 7665 1 16 . 1 1 44 44 HIS N N 44 114.144 114.144 119.642 -5.498 17952 7666 1 16 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.832 0.233 17952 7667 1 16 . 1 1 44 44 HIS H H 44 7.145 7.145 8.054 -0.909 17952 7668 1 16 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.986 0.417 17952 7669 1 16 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.493 0.068 17952 7670 1 16 . 1 1 45 45 PRO CB C 45 33.097 33.097 30.669 2.428 17952 7671 1 16 . 1 1 46 46 ARG N N 46 116.294 116.294 123.395 -7.101 17952 7672 1 16 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.547 0.609 17952 7673 1 16 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.575 1.579 17952 7674 1 16 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.868 4.102 17952 7675 1 16 . 1 1 46 46 ARG H H 46 8.919 8.919 7.667 1.252 17952 7676 1 16 . 1 1 47 47 ILE N N 47 117.069 117.069 126.238 -9.169 17952 7677 1 16 . 1 1 47 47 ILE HA H 47 5.684 5.684 3.683 2.001 17952 7678 1 16 . 1 1 47 47 ILE CA C 47 58.820 58.820 61.514 -2.695 17952 7679 1 16 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.063 3.649 17952 7680 1 16 . 1 1 47 47 ILE H H 47 9.106 9.106 8.419 0.687 17952 7681 1 16 . 1 1 48 48 GLY N N 48 116.903 116.903 118.301 -1.398 17952 7682 1 16 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.200 0.329 17952 7683 1 16 . 1 1 48 48 GLY H H 48 9.276 9.276 8.799 0.477 17952 7684 1 16 . 1 1 49 49 LEU N N 49 123.729 123.729 124.173 -0.444 17952 7685 1 16 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.778 0.663 17952 7686 1 16 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.914 -0.552 17952 7687 1 16 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.231 3.314 17952 7688 1 16 . 1 1 49 49 LEU H H 49 8.957 8.957 7.436 1.522 17952 7689 1 16 . 1 1 50 50 THR N N 50 120.870 120.870 125.558 -4.688 17952 7690 1 16 . 1 1 50 50 THR HA H 50 4.616 4.616 4.585 0.031 17952 7691 1 16 . 1 1 50 50 THR H H 50 9.419 9.419 8.991 0.428 17952 7692 1 16 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.163 0.193 17952 7693 1 16 . 1 1 51 51 VAL CA C 51 60.110 60.110 61.644 -1.534 17952 7694 1 16 . 1 1 51 51 VAL CB C 51 32.291 32.291 32.720 -0.429 17952 7695 1 16 . 1 1 52 52 ALA N N 52 129.415 129.415 130.024 -0.609 17952 7696 1 16 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.432 -1.120 17952 7697 1 16 . 1 1 52 52 ALA H H 52 9.046 9.046 8.357 0.689 17952 7698 1 16 . 1 1 53 53 LYS N N 53 125.023 125.023 122.316 2.707 17952 7699 1 16 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.265 -0.176 17952 7700 1 16 . 1 1 53 53 LYS CA C 53 58.735 58.735 56.291 2.445 17952 7701 1 16 . 1 1 53 53 LYS CB C 53 32.096 32.096 30.401 1.695 17952 7702 1 16 . 1 1 53 53 LYS H H 53 8.811 8.811 8.686 0.125 17952 7703 1 16 . 1 1 54 54 LYS N N 54 114.126 114.126 119.763 -5.637 17952 7704 1 16 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.416 -0.375 17952 7705 1 16 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.238 1.715 17952 7706 1 16 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.858 -0.928 17952 7707 1 16 . 1 1 54 54 LYS H H 54 8.073 8.073 8.285 -0.212 17952 7708 1 16 . 1 1 55 55 ASN N N 55 115.234 115.234 117.091 -1.857 17952 7709 1 16 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.780 0.078 17952 7710 1 16 . 1 1 55 55 ASN CA C 55 53.777 53.777 53.671 0.106 17952 7711 1 16 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.568 -0.039 17952 7712 1 16 . 1 1 55 55 ASN H H 55 7.434 7.434 7.784 -0.350 17952 7713 1 16 . 1 1 56 56 VAL N N 56 121.000 121.000 122.830 -1.830 17952 7714 1 16 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.383 -0.210 17952 7715 1 16 . 1 1 56 56 VAL CA C 56 61.761 61.761 62.181 -0.420 17952 7716 1 16 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.244 1.789 17952 7717 1 16 . 1 1 56 56 VAL H H 56 7.764 7.764 8.126 -0.362 17952 7718 1 16 . 1 1 57 57 ARG N N 57 125.781 125.781 128.812 -3.031 17952 7719 1 16 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.426 -0.226 17952 7720 1 16 . 1 1 57 57 ARG CA C 57 58.646 58.646 57.129 1.517 17952 7721 1 16 . 1 1 57 57 ARG CB C 57 31.004 31.004 31.012 -0.008 17952 7722 1 16 . 1 1 57 57 ARG H H 57 8.441 8.441 8.619 -0.178 17952 7723 1 16 . 1 1 58 58 ARG N N 58 118.159 118.159 120.146 -1.987 17952 7724 1 16 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.504 0.090 17952 7725 1 16 . 1 1 58 58 ARG H H 58 8.250 8.250 8.337 -0.087 17952 7726 1 16 . 1 1 60 60 HIS N N 60 116.957 116.957 118.415 -1.458 17952 7727 1 16 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.400 0.035 17952 7728 1 16 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.267 1.338 17952 7729 1 16 . 1 1 60 60 HIS CB C 60 29.947 29.947 30.018 -0.071 17952 7730 1 16 . 1 1 60 60 HIS H H 60 7.600 7.600 8.782 -1.182 17952 7731 1 16 . 1 1 61 61 GLU N N 61 119.542 119.542 118.972 0.570 17952 7732 1 16 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.205 0.224 17952 7733 1 16 . 1 1 61 61 GLU CA C 61 57.628 57.628 57.611 0.017 17952 7734 1 16 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.087 1.718 17952 7735 1 16 . 1 1 61 61 GLU H H 61 6.702 6.702 8.833 -2.131 17952 7736 1 16 . 1 1 62 62 ARG N N 62 120.227 120.227 119.670 0.557 17952 7737 1 16 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.052 -0.319 17952 7738 1 16 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.836 2.695 17952 7739 1 16 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.350 -0.738 17952 7740 1 16 . 1 1 62 62 ARG H H 62 7.951 7.951 7.855 0.096 17952 7741 1 16 . 1 1 63 63 ASN N N 63 116.757 116.757 115.436 1.321 17952 7742 1 16 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.640 -0.206 17952 7743 1 16 . 1 1 63 63 ASN CA C 63 56.208 56.208 54.773 1.435 17952 7744 1 16 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.247 -0.422 17952 7745 1 16 . 1 1 63 63 ASN H H 63 8.365 8.365 7.867 0.498 17952 7746 1 16 . 1 1 64 64 ARG N N 64 123.093 123.093 121.242 1.851 17952 7747 1 16 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.034 0.022 17952 7748 1 16 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.999 1.139 17952 7749 1 16 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.592 1.240 17952 7750 1 16 . 1 1 64 64 ARG H H 64 7.770 7.770 7.288 0.482 17952 7751 1 16 . 1 1 65 65 ILE N N 65 117.911 117.911 117.275 0.636 17952 7752 1 16 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.827 -0.302 17952 7753 1 16 . 1 1 65 65 ILE CA C 65 64.715 64.715 64.166 0.549 17952 7754 1 16 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.862 0.783 17952 7755 1 16 . 1 1 65 65 ILE H H 65 8.121 8.121 7.663 0.458 17952 7756 1 16 . 1 1 66 66 LYS N N 66 122.635 122.635 118.176 4.459 17952 7757 1 16 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.401 -0.630 17952 7758 1 16 . 1 1 66 66 LYS CA C 66 60.935 60.935 58.136 2.799 17952 7759 1 16 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.299 0.125 17952 7760 1 16 . 1 1 66 66 LYS H H 66 8.337 8.337 8.005 0.332 17952 7761 1 16 . 1 1 67 67 ARG N N 67 119.137 119.137 121.226 -2.089 17952 7762 1 16 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.079 -0.071 17952 7763 1 16 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.727 0.262 17952 7764 1 16 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.416 -0.381 17952 7765 1 16 . 1 1 67 67 ARG H H 67 8.257 8.257 8.048 0.209 17952 7766 1 16 . 1 1 68 68 LEU N N 68 119.084 119.084 120.281 -1.197 17952 7767 1 16 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.107 0.001 17952 7768 1 16 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.357 -0.335 17952 7769 1 16 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.506 0.096 17952 7770 1 16 . 1 1 68 68 LEU H H 68 8.427 8.427 8.190 0.237 17952 7771 1 16 . 1 1 69 69 THR N N 69 118.019 118.019 110.356 7.663 17952 7772 1 16 . 1 1 69 69 THR CA C 69 67.701 67.701 65.134 2.567 17952 7773 1 16 . 1 1 69 69 THR H H 69 8.433 8.433 7.893 0.540 17952 7774 1 16 . 1 1 70 70 ARG N N 70 122.713 122.713 122.437 0.276 17952 7775 1 16 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.581 1.829 17952 7776 1 16 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.227 -0.177 17952 7777 1 16 . 1 1 70 70 ARG H H 70 8.346 8.346 7.691 0.655 17952 7778 1 16 . 1 1 71 71 GLU N N 71 118.890 118.890 118.325 0.565 17952 7779 1 16 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.140 0.126 17952 7780 1 16 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.112 0.368 17952 7781 1 16 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.666 -0.350 17952 7782 1 16 . 1 1 71 71 GLU H H 71 8.334 8.334 8.034 0.300 17952 7783 1 16 . 1 1 72 72 SER N N 72 114.922 114.922 114.227 0.695 17952 7784 1 16 . 1 1 72 72 SER HA H 72 4.243 4.243 4.252 -0.009 17952 7785 1 16 . 1 1 72 72 SER CA C 72 61.292 61.292 60.944 0.348 17952 7786 1 16 . 1 1 72 72 SER CB C 72 63.065 63.065 63.521 -0.456 17952 7787 1 16 . 1 1 72 72 SER H H 72 8.205 8.205 7.691 0.514 17952 7788 1 16 . 1 1 73 73 PHE N N 73 122.665 122.665 125.136 -2.471 17952 7789 1 16 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.183 -1.074 17952 7790 1 16 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.173 0.362 17952 7791 1 16 . 1 1 73 73 PHE H H 73 7.788 7.788 8.431 -0.643 17952 7792 1 16 . 1 1 74 74 ARG N N 74 119.417 119.417 119.332 0.085 17952 7793 1 16 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.055 -0.158 17952 7794 1 16 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.268 0.933 17952 7795 1 16 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.142 -0.161 17952 7796 1 16 . 1 1 74 74 ARG H H 74 8.580 8.580 8.112 0.468 17952 7797 1 16 . 1 1 75 75 LEU N N 75 117.144 117.144 117.939 -0.795 17952 7798 1 16 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.434 -0.338 17952 7799 1 16 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.731 1.486 17952 7800 1 16 . 1 1 75 75 LEU CB C 75 42.788 42.788 43.346 -0.558 17952 7801 1 16 . 1 1 75 75 LEU H H 75 7.903 7.903 7.401 0.502 17952 7802 1 16 . 1 1 76 76 ARG N N 76 113.888 113.888 118.268 -4.380 17952 7803 1 16 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.572 -0.149 17952 7804 1 16 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.282 -0.795 17952 7805 1 16 . 1 1 76 76 ARG CB C 76 31.867 31.867 30.695 1.172 17952 7806 1 16 . 1 1 76 76 ARG H H 76 6.736 6.736 7.515 -0.779 17952 7807 1 16 . 1 1 77 77 GLN N N 77 120.009 120.009 119.960 0.049 17952 7808 1 16 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.244 2.012 17952 7809 1 16 . 1 1 77 77 GLN CB C 77 28.588 28.588 27.363 1.225 17952 7810 1 16 . 1 1 77 77 GLN H H 77 7.273 7.273 7.833 -0.560 17952 7811 1 16 . 1 1 78 78 HIS N N 78 114.954 114.954 116.643 -1.689 17952 7812 1 16 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.644 -0.199 17952 7813 1 16 . 1 1 78 78 HIS CA C 78 57.800 57.800 56.896 0.904 17952 7814 1 16 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.978 -0.576 17952 7815 1 16 . 1 1 78 78 HIS H H 78 8.389 8.389 8.020 0.369 17952 7816 1 16 . 1 1 79 79 GLU N N 79 118.231 118.231 119.004 -0.773 17952 7817 1 16 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.432 -0.025 17952 7818 1 16 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.547 -1.155 17952 7819 1 16 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.646 0.650 17952 7820 1 16 . 1 1 79 79 GLU H H 79 7.717 7.717 7.884 -0.167 17952 7821 1 16 . 1 1 80 80 LEU N N 80 119.751 119.751 113.469 6.282 17952 7822 1 16 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.935 -0.381 17952 7823 1 16 . 1 1 80 80 LEU H H 80 6.859 6.859 7.119 -0.260 17952 7824 1 16 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.532 0.039 17952 7825 1 16 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.490 -0.765 17952 7826 1 16 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.745 -0.413 17952 7827 1 16 . 1 1 82 82 ALA N N 82 122.525 122.525 125.843 -3.318 17952 7828 1 16 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.290 -0.532 17952 7829 1 16 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.381 -2.473 17952 7830 1 16 . 1 1 82 82 ALA H H 82 8.425 8.425 8.410 0.015 17952 7831 1 16 . 1 1 83 83 MET N N 83 122.963 122.963 122.952 0.011 17952 7832 1 16 . 1 1 83 83 MET HA H 83 4.387 4.387 4.675 -0.288 17952 7833 1 16 . 1 1 83 83 MET CA C 83 54.002 54.002 55.086 -1.084 17952 7834 1 16 . 1 1 83 83 MET CB C 83 35.655 35.655 36.578 -0.923 17952 7835 1 16 . 1 1 83 83 MET H H 83 7.851 7.851 7.973 -0.122 17952 7836 1 16 . 1 1 84 84 ASP N N 84 121.733 121.733 124.543 -2.810 17952 7837 1 16 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.779 -0.027 17952 7838 1 16 . 1 1 84 84 ASP CA C 84 53.638 53.638 55.531 -1.893 17952 7839 1 16 . 1 1 84 84 ASP CB C 84 41.990 41.990 40.848 1.142 17952 7840 1 16 . 1 1 84 84 ASP H H 84 8.393 8.393 8.618 -0.225 17952 7841 1 16 . 1 1 85 85 PHE N N 85 121.368 121.368 123.968 -2.600 17952 7842 1 16 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.709 1.247 17952 7843 1 16 . 1 1 85 85 PHE CB C 85 42.080 42.080 40.232 1.848 17952 7844 1 16 . 1 1 85 85 PHE H H 85 8.849 8.849 8.012 0.837 17952 7845 1 16 . 1 1 86 86 VAL N N 86 120.431 120.431 125.693 -5.262 17952 7846 1 16 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.348 0.268 17952 7847 1 16 . 1 1 86 86 VAL CA C 86 60.874 60.874 62.117 -1.243 17952 7848 1 16 . 1 1 86 86 VAL CB C 86 34.882 34.882 31.710 3.172 17952 7849 1 16 . 1 1 86 86 VAL H H 86 9.407 9.407 8.573 0.834 17952 7850 1 16 . 1 1 87 87 VAL N N 87 127.860 127.860 128.912 -1.052 17952 7851 1 16 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.440 0.177 17952 7852 1 16 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.873 -0.453 17952 7853 1 16 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.196 -0.074 17952 7854 1 16 . 1 1 87 87 VAL H H 87 8.843 8.843 8.271 0.572 17952 7855 1 16 . 1 1 88 88 VAL N N 88 128.150 128.150 128.564 -0.414 17952 7856 1 16 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.431 0.224 17952 7857 1 16 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.563 0.702 17952 7858 1 16 . 1 1 88 88 VAL CB C 88 33.439 33.439 33.184 0.255 17952 7859 1 16 . 1 1 88 88 VAL H H 88 9.538 9.538 8.883 0.655 17952 7860 1 16 . 1 1 89 89 ALA N N 89 128.337 128.337 132.017 -3.680 17952 7861 1 16 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.346 0.258 17952 7862 1 16 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.632 1.239 17952 7863 1 16 . 1 1 89 89 ALA H H 89 8.170 8.170 8.100 0.070 17952 7864 1 16 . 1 1 90 90 LYS N N 90 123.110 123.110 124.647 -1.537 17952 7865 1 16 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.642 -0.165 17952 7866 1 16 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.509 1.601 17952 7867 1 16 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.422 -0.967 17952 7868 1 16 . 1 1 90 90 LYS H H 90 8.231 8.231 8.543 -0.312 17952 7869 1 16 . 1 1 91 91 LYS N N 91 119.291 119.291 120.911 -1.620 17952 7870 1 16 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.211 -0.163 17952 7871 1 16 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.342 1.829 17952 7872 1 16 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.386 0.833 17952 7873 1 16 . 1 1 91 91 LYS H H 91 8.162 8.162 8.796 -0.634 17952 7874 1 16 . 1 1 92 92 GLY N N 92 112.991 112.991 112.739 0.252 17952 7875 1 16 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.015 0.121 17952 7876 1 16 . 1 1 92 92 GLY H H 92 8.783 8.783 8.531 0.252 17952 7877 1 16 . 1 1 93 93 VAL N N 93 122.937 122.937 122.026 0.911 17952 7878 1 16 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.849 -0.119 17952 7879 1 16 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.378 0.533 17952 7880 1 16 . 1 1 93 93 VAL CB C 93 29.998 29.998 32.035 -2.037 17952 7881 1 16 . 1 1 93 93 VAL H H 93 8.363 8.363 7.560 0.803 17952 7882 1 16 . 1 1 94 94 ALA N N 94 119.882 119.882 118.111 1.771 17952 7883 1 16 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.296 -0.200 17952 7884 1 16 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.886 -0.217 17952 7885 1 16 . 1 1 94 94 ALA H H 94 7.960 7.960 8.112 -0.152 17952 7886 1 16 . 1 1 95 95 ASP N N 95 114.705 114.705 120.678 -5.973 17952 7887 1 16 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.782 -0.290 17952 7888 1 16 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.925 0.936 17952 7889 1 16 . 1 1 95 95 ASP CB C 95 40.883 40.883 40.790 0.093 17952 7890 1 16 . 1 1 95 95 ASP H H 95 7.360 7.360 7.591 -0.231 17952 7891 1 16 . 1 1 96 96 LEU N N 96 120.424 120.424 118.322 2.102 17952 7892 1 16 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.742 -0.284 17952 7893 1 16 . 1 1 96 96 LEU CA C 96 54.357 54.357 52.805 1.552 17952 7894 1 16 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.545 -1.112 17952 7895 1 16 . 1 1 96 96 LEU H H 96 7.389 7.389 7.522 -0.133 17952 7896 1 16 . 1 1 97 97 ASP N N 97 123.018 123.018 119.513 3.505 17952 7897 1 16 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.713 -0.183 17952 7898 1 16 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.126 -1.291 17952 7899 1 16 . 1 1 97 97 ASP CB C 97 40.502 40.502 41.955 -1.453 17952 7900 1 16 . 1 1 97 97 ASP H H 97 8.473 8.473 8.194 0.279 17952 7901 1 16 . 1 1 98 98 ASN N N 98 117.692 117.692 118.277 -0.585 17952 7902 1 16 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.424 -0.288 17952 7903 1 16 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.985 0.880 17952 7904 1 16 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.654 -1.714 17952 7905 1 16 . 1 1 98 98 ASN H H 98 8.651 8.651 8.509 0.142 17952 7906 1 16 . 1 1 99 99 ARG N N 99 120.819 120.819 117.989 2.830 17952 7907 1 16 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.106 -0.053 17952 7908 1 16 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.559 0.939 17952 7909 1 16 . 1 1 99 99 ARG CB C 99 29.317 29.317 29.636 -0.319 17952 7910 1 16 . 1 1 99 99 ARG H H 99 8.191 8.191 8.409 -0.218 17952 7911 1 16 . 1 1 100 100 ALA N N 100 122.928 122.928 121.406 1.522 17952 7912 1 16 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.410 -0.259 17952 7913 1 16 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.160 0.889 17952 7914 1 16 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.267 0.730 17952 7915 1 16 . 1 1 100 100 ALA H H 100 8.524 8.524 7.340 1.184 17952 7916 1 16 . 1 1 101 101 LEU N N 101 120.795 120.795 118.527 2.268 17952 7917 1 16 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.865 0.233 17952 7918 1 16 . 1 1 101 101 LEU CA C 101 58.235 58.235 58.064 0.171 17952 7919 1 16 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.735 -0.226 17952 7920 1 16 . 1 1 101 101 LEU H H 101 8.961 8.961 7.682 1.279 17952 7921 1 16 . 1 1 102 102 SER N N 102 115.314 115.314 114.444 0.870 17952 7922 1 16 . 1 1 102 102 SER HA H 102 4.123 4.123 4.184 -0.061 17952 7923 1 16 . 1 1 102 102 SER CB C 102 62.761 62.761 62.918 -0.157 17952 7924 1 16 . 1 1 102 102 SER H H 102 8.459 8.459 7.848 0.611 17952 7925 1 16 . 1 1 103 103 GLU N N 103 122.468 122.468 122.582 -0.114 17952 7926 1 16 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.072 0.058 17952 7927 1 16 . 1 1 103 103 GLU CA C 103 59.468 59.468 59.166 0.302 17952 7928 1 16 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.811 -0.283 17952 7929 1 16 . 1 1 103 103 GLU H H 103 8.492 8.492 7.605 0.887 17952 7930 1 16 . 1 1 104 104 ALA N N 104 123.159 123.159 121.528 1.631 17952 7931 1 16 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.146 -0.056 17952 7932 1 16 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.663 0.579 17952 7933 1 16 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.693 -0.866 17952 7934 1 16 . 1 1 104 104 ALA H H 104 8.074 8.074 8.303 -0.229 17952 7935 1 16 . 1 1 105 105 LEU N N 105 116.602 116.602 120.387 -3.785 17952 7936 1 16 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.978 -0.426 17952 7937 1 16 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.201 0.203 17952 7938 1 16 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.932 -0.313 17952 7939 1 16 . 1 1 105 105 LEU H H 105 8.318 8.318 7.812 0.506 17952 7940 1 16 . 1 1 106 106 GLU N N 106 117.564 117.564 116.625 0.939 17952 7941 1 16 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.388 -0.156 17952 7942 1 16 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.060 1.356 17952 7943 1 16 . 1 1 106 106 GLU CB C 106 28.925 28.925 29.184 -0.259 17952 7944 1 16 . 1 1 106 106 GLU H H 106 8.009 8.009 7.948 0.061 17952 7945 1 16 . 1 1 107 107 LYS N N 107 117.286 117.286 120.432 -3.146 17952 7946 1 16 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.174 -0.200 17952 7947 1 16 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.468 1.438 17952 7948 1 16 . 1 1 107 107 LYS CB C 107 32.381 32.381 32.011 0.370 17952 7949 1 16 . 1 1 107 107 LYS H H 107 7.787 7.787 7.504 0.283 17952 7950 1 16 . 1 1 108 108 LEU N N 108 120.504 120.504 119.739 0.765 17952 7951 1 16 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.283 -0.304 17952 7952 1 16 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.681 0.136 17952 7953 1 16 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.785 0.515 17952 7954 1 16 . 1 1 108 108 LEU H H 108 7.875 7.875 7.802 0.073 17952 7955 1 16 . 1 1 109 109 TRP N N 109 120.547 120.547 121.820 -1.273 17952 7956 1 16 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.809 -0.922 17952 7957 1 16 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.025 1.738 17952 7958 1 16 . 1 1 109 109 TRP H H 109 9.048 9.048 8.247 0.801 17952 7959 1 16 . 1 1 110 110 ARG N N 110 117.678 117.678 117.215 0.463 17952 7960 1 16 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.404 0.670 17952 7961 1 16 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.140 1.103 17952 7962 1 16 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.604 0.037 17952 7963 1 16 . 1 1 110 110 ARG H H 110 8.425 8.425 8.273 0.152 17952 7964 1 16 . 1 1 111 111 ARG N N 111 121.156 121.156 118.974 2.182 17952 7965 1 16 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.026 0.149 17952 7966 1 16 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.694 0.374 17952 7967 1 16 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.802 -0.733 17952 7968 1 16 . 1 1 111 111 ARG H H 111 8.100 8.100 7.853 0.247 17952 7969 1 16 . 1 1 112 112 HIS N N 112 118.118 118.118 117.439 0.679 17952 7970 1 16 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.510 -0.207 17952 7971 1 16 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.500 3.035 17952 7972 1 16 . 1 1 112 112 HIS CB C 112 31.917 31.917 29.280 2.637 17952 7973 1 16 . 1 1 112 112 HIS H H 112 8.250 8.250 7.853 0.397 17952 7974 1 16 . 1 1 113 113 CYS N N 113 117.579 117.579 118.745 -1.166 17952 7975 1 16 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.814 0.450 17952 7976 1 16 . 1 1 113 113 CYS CA C 113 64.136 64.136 62.514 1.622 17952 7977 1 16 . 1 1 113 113 CYS CB C 113 26.785 26.785 26.163 0.622 17952 7978 1 16 . 1 1 113 113 CYS H H 113 8.181 8.181 7.535 0.646 17952 7979 1 16 . 1 1 114 114 ARG N N 114 120.172 120.172 119.669 0.503 17952 7980 1 16 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.108 0.039 17952 7981 1 16 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.231 0.819 17952 7982 1 16 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.864 -0.046 17952 7983 1 16 . 1 1 114 114 ARG H H 114 7.870 7.870 7.220 0.650 17952 7984 1 16 . 1 1 115 115 LEU N N 115 120.720 120.720 120.489 0.231 17952 7985 1 16 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.295 -0.178 17952 7986 1 16 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.184 0.178 17952 7987 1 16 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.908 -0.006 17952 7988 1 16 . 1 1 115 115 LEU H H 115 8.690 8.690 7.593 1.097 17952 7989 1 16 . 1 1 116 116 ALA N N 116 119.118 119.118 120.959 -1.841 17952 7990 1 16 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.197 0.170 17952 7991 1 16 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.624 0.464 17952 7992 1 16 . 1 1 116 116 ALA H H 116 7.751 7.751 8.026 -0.275 17952 7993 1 16 . 1 1 117 117 ARG N N 117 117.010 117.010 116.079 0.931 17952 7994 1 16 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.490 -0.102 17952 7995 1 16 . 1 1 117 117 ARG CA C 117 57.046 57.046 54.969 2.077 17952 7996 1 16 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.698 0.160 17952 7997 1 16 . 1 1 117 117 ARG H H 117 7.602 7.602 7.578 0.024 17952 7998 1 16 . 1 1 118 118 GLY N N 118 108.836 108.836 109.407 -0.571 17952 7999 1 16 . 1 1 118 118 GLY CA C 118 45.566 45.566 46.096 -0.530 17952 8000 1 16 . 1 1 118 118 GLY H H 118 8.087 8.087 8.158 -0.071 17952 8001 1 17 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.978 0.213 17952 8002 1 17 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.127 -0.161 17952 8003 1 17 . 1 1 4 4 LEU N N 4 125.667 125.667 120.786 4.881 17952 8004 1 17 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.578 -0.191 17952 8005 1 17 . 1 1 4 4 LEU CA C 4 54.667 54.667 53.572 1.095 17952 8006 1 17 . 1 1 4 4 LEU CB C 4 42.618 42.618 43.838 -1.220 17952 8007 1 17 . 1 1 4 4 LEU H H 4 8.498 8.498 7.419 1.079 17952 8008 1 17 . 1 1 5 5 ALA N N 5 126.419 126.419 123.358 3.061 17952 8009 1 17 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.315 0.056 17952 8010 1 17 . 1 1 5 5 ALA CB C 5 19.337 19.337 18.414 0.923 17952 8011 1 17 . 1 1 5 5 ALA H H 5 8.435 8.435 8.575 -0.140 17952 8012 1 17 . 1 1 6 6 PHE N N 6 124.718 124.718 126.517 -1.799 17952 8013 1 17 . 1 1 6 6 PHE H H 6 8.714 8.714 8.060 0.654 17952 8014 1 17 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.602 -0.366 17952 8015 1 17 . 1 1 7 7 PRO CA C 7 63.736 63.736 62.156 1.580 17952 8016 1 17 . 1 1 7 7 PRO CB C 7 32.402 32.402 29.796 2.606 17952 8017 1 17 . 1 1 8 8 ARG N N 8 124.351 124.351 120.276 4.075 17952 8018 1 17 . 1 1 8 8 ARG HA H 8 3.784 3.784 3.993 -0.209 17952 8019 1 17 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.888 1.084 17952 8020 1 17 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.645 0.612 17952 8021 1 17 . 1 1 8 8 ARG H H 8 8.650 8.650 8.129 0.521 17952 8022 1 17 . 1 1 9 9 GLU N N 9 117.015 117.015 117.626 -0.611 17952 8023 1 17 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.185 0.056 17952 8024 1 17 . 1 1 9 9 GLU CA C 9 58.536 58.536 57.778 0.758 17952 8025 1 17 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.909 -1.623 17952 8026 1 17 . 1 1 9 9 GLU H H 9 9.522 9.522 8.125 1.397 17952 8027 1 17 . 1 1 10 10 LEU N N 10 116.269 116.269 119.404 -3.135 17952 8028 1 17 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.272 0.410 17952 8029 1 17 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.567 -1.243 17952 8030 1 17 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.948 -0.643 17952 8031 1 17 . 1 1 10 10 LEU H H 10 7.285 7.285 7.376 -0.091 17952 8032 1 17 . 1 1 11 11 ARG N N 11 116.982 116.982 114.909 2.073 17952 8033 1 17 . 1 1 11 11 ARG HA H 11 5.045 5.045 3.922 1.123 17952 8034 1 17 . 1 1 11 11 ARG CA C 11 55.671 55.671 57.433 -1.762 17952 8035 1 17 . 1 1 11 11 ARG CB C 11 32.827 32.827 28.377 4.450 17952 8036 1 17 . 1 1 11 11 ARG H H 11 7.618 7.618 8.244 -0.626 17952 8037 1 17 . 1 1 12 12 LEU N N 12 119.127 119.127 121.075 -1.948 17952 8038 1 17 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.486 -0.157 17952 8039 1 17 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.984 0.131 17952 8040 1 17 . 1 1 12 12 LEU CB C 12 41.683 41.683 43.730 -2.047 17952 8041 1 17 . 1 1 12 12 LEU H H 12 7.289 7.289 7.674 -0.385 17952 8042 1 17 . 1 1 13 13 LEU N N 13 123.181 123.181 126.676 -3.495 17952 8043 1 17 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.559 0.188 17952 8044 1 17 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.809 1.381 17952 8045 1 17 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.969 4.265 17952 8046 1 17 . 1 1 13 13 LEU H H 13 8.816 8.816 8.530 0.286 17952 8047 1 17 . 1 1 14 14 THR N N 14 111.810 111.810 119.845 -8.035 17952 8048 1 17 . 1 1 14 14 THR HA H 14 5.104 5.104 4.802 0.302 17952 8049 1 17 . 1 1 14 14 THR H H 14 8.321 8.321 8.506 -0.185 17952 8050 1 17 . 1 1 16 16 SER HA H 16 4.282 4.282 4.489 -0.207 17952 8051 1 17 . 1 1 16 16 SER CB C 16 62.228 62.228 63.136 -0.908 17952 8052 1 17 . 1 1 17 17 GLN N N 17 122.336 122.336 128.041 -5.705 17952 8053 1 17 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.273 -0.195 17952 8054 1 17 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.778 -0.656 17952 8055 1 17 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.491 0.613 17952 8056 1 17 . 1 1 17 17 GLN H H 17 7.967 7.967 8.959 -0.992 17952 8057 1 17 . 1 1 18 18 PHE N N 18 119.658 119.658 119.256 0.402 17952 8058 1 17 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.148 0.492 17952 8059 1 17 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.859 -0.369 17952 8060 1 17 . 1 1 18 18 PHE H H 18 7.733 7.733 8.313 -0.580 17952 8061 1 17 . 1 1 19 19 THR N N 19 116.141 116.141 116.392 -0.251 17952 8062 1 17 . 1 1 19 19 THR HA H 19 3.911 3.911 4.002 -0.091 17952 8063 1 17 . 1 1 19 19 THR CA C 19 67.058 67.058 66.538 0.520 17952 8064 1 17 . 1 1 19 19 THR CB C 19 68.790 68.790 68.527 0.263 17952 8065 1 17 . 1 1 19 19 THR H H 19 8.622 8.622 7.529 1.093 17952 8066 1 17 . 1 1 20 20 PHE N N 20 119.904 119.904 122.778 -2.874 17952 8067 1 17 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.238 -0.089 17952 8068 1 17 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.286 -0.026 17952 8069 1 17 . 1 1 20 20 PHE H H 20 7.728 7.728 8.218 -0.490 17952 8070 1 17 . 1 1 21 21 VAL N N 21 117.896 117.896 117.905 -0.009 17952 8071 1 17 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.814 -0.732 17952 8072 1 17 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.230 2.106 17952 8073 1 17 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.670 -0.081 17952 8074 1 17 . 1 1 21 21 VAL H H 21 6.861 6.861 7.609 -0.748 17952 8075 1 17 . 1 1 22 22 PHE N N 22 114.352 114.352 117.959 -3.607 17952 8076 1 17 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.112 -0.101 17952 8077 1 17 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.277 -0.692 17952 8078 1 17 . 1 1 22 22 PHE H H 22 7.653 7.653 7.157 0.496 17952 8079 1 17 . 1 1 23 23 GLN N N 23 116.245 116.245 117.576 -1.331 17952 8080 1 17 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.947 0.086 17952 8081 1 17 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.816 0.599 17952 8082 1 17 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.904 0.046 17952 8083 1 17 . 1 1 23 23 GLN H H 23 7.928 7.928 7.611 0.317 17952 8084 1 17 . 1 1 24 24 GLN N N 24 114.087 114.087 116.985 -2.898 17952 8085 1 17 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.779 -0.354 17952 8086 1 17 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.092 1.599 17952 8087 1 17 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.045 -0.588 17952 8088 1 17 . 1 1 24 24 GLN H H 24 6.731 6.731 7.973 -1.242 17952 8089 1 17 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.529 0.499 17952 8090 1 17 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.099 1.080 17952 8091 1 17 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.499 0.078 17952 8092 1 17 . 1 1 26 26 GLN N N 26 120.107 120.107 122.265 -2.158 17952 8093 1 17 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.298 -0.019 17952 8094 1 17 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.747 0.809 17952 8095 1 17 . 1 1 26 26 GLN H H 26 9.622 9.622 8.071 1.551 17952 8096 1 17 . 1 1 27 27 ARG N N 27 125.712 125.712 126.752 -1.040 17952 8097 1 17 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.320 0.900 17952 8098 1 17 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.523 0.602 17952 8099 1 17 . 1 1 27 27 ARG CB C 27 34.641 34.641 28.898 5.743 17952 8100 1 17 . 1 1 27 27 ARG H H 27 9.068 9.068 8.703 0.365 17952 8101 1 17 . 1 1 28 28 ALA N N 28 123.402 123.402 128.120 -4.718 17952 8102 1 17 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.767 -0.253 17952 8103 1 17 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.136 -0.217 17952 8104 1 17 . 1 1 28 28 ALA H H 28 8.102 8.102 8.599 -0.497 17952 8105 1 17 . 1 1 29 29 GLY N N 29 109.532 109.532 108.000 1.532 17952 8106 1 17 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.402 1.482 17952 8107 1 17 . 1 1 29 29 GLY H H 29 8.572 8.572 8.650 -0.078 17952 8108 1 17 . 1 1 30 30 THR N N 30 113.168 113.168 116.770 -3.602 17952 8109 1 17 . 1 1 30 30 THR HA H 30 4.953 4.953 4.805 0.148 17952 8110 1 17 . 1 1 30 30 THR H H 30 9.199 9.199 8.029 1.170 17952 8111 1 17 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.287 0.010 17952 8112 1 17 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.484 0.027 17952 8113 1 17 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.200 -1.217 17952 8114 1 17 . 1 1 32 32 GLN N N 32 110.281 110.281 116.475 -6.194 17952 8115 1 17 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.210 -0.015 17952 8116 1 17 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.987 0.491 17952 8117 1 17 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.099 -0.103 17952 8118 1 17 . 1 1 32 32 GLN H H 32 7.403 7.403 8.534 -1.131 17952 8119 1 17 . 1 1 33 33 ILE N N 33 118.254 118.254 117.307 0.947 17952 8120 1 17 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.754 0.486 17952 8121 1 17 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.508 3.283 17952 8122 1 17 . 1 1 33 33 ILE H H 33 7.353 7.353 7.725 -0.372 17952 8123 1 17 . 1 1 34 34 THR N N 34 122.650 122.650 126.359 -3.709 17952 8124 1 17 . 1 1 34 34 THR HA H 34 4.946 4.946 4.935 0.011 17952 8125 1 17 . 1 1 34 34 THR CA C 34 61.792 61.792 62.120 -0.328 17952 8126 1 17 . 1 1 34 34 THR CB C 34 71.752 71.752 69.606 2.146 17952 8127 1 17 . 1 1 34 34 THR H H 34 8.787 8.787 8.993 -0.206 17952 8128 1 17 . 1 1 35 35 ILE N N 35 123.778 123.778 128.517 -4.739 17952 8129 1 17 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.484 0.677 17952 8130 1 17 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.837 0.876 17952 8131 1 17 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.330 1.713 17952 8132 1 17 . 1 1 35 35 ILE H H 35 9.109 9.109 9.143 -0.034 17952 8133 1 17 . 1 1 36 36 LEU N N 36 132.558 132.558 129.146 3.412 17952 8134 1 17 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.349 0.285 17952 8135 1 17 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.263 -0.019 17952 8136 1 17 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.048 2.450 17952 8137 1 17 . 1 1 36 36 LEU H H 36 9.500 9.500 9.043 0.457 17952 8138 1 17 . 1 1 37 37 GLY N N 37 106.940 106.940 110.751 -3.811 17952 8139 1 17 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.033 1.225 17952 8140 1 17 . 1 1 37 37 GLY H H 37 9.058 9.058 8.117 0.941 17952 8141 1 17 . 1 1 38 38 ARG N N 38 121.378 121.378 120.560 0.818 17952 8142 1 17 . 1 1 38 38 ARG HA H 38 4.652 4.652 5.047 -0.395 17952 8143 1 17 . 1 1 38 38 ARG CA C 38 56.285 56.285 54.348 1.937 17952 8144 1 17 . 1 1 38 38 ARG CB C 38 35.176 35.176 35.037 0.139 17952 8145 1 17 . 1 1 38 38 ARG H H 38 8.384 8.384 8.203 0.181 17952 8146 1 17 . 1 1 39 39 LEU N N 39 129.596 129.596 120.295 9.301 17952 8147 1 17 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.189 1.283 17952 8148 1 17 . 1 1 39 39 LEU H H 39 9.030 9.030 8.631 0.399 17952 8149 1 17 . 1 1 40 40 ASN N N 40 119.921 119.921 122.987 -3.066 17952 8150 1 17 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.653 -1.107 17952 8151 1 17 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.814 0.274 17952 8152 1 17 . 1 1 40 40 ASN H H 40 8.186 8.186 8.178 0.008 17952 8153 1 17 . 1 1 41 41 SER N N 41 112.600 112.600 116.825 -4.225 17952 8154 1 17 . 1 1 41 41 SER HA H 41 4.484 4.484 4.375 0.109 17952 8155 1 17 . 1 1 41 41 SER CB C 41 62.949 62.949 63.346 -0.397 17952 8156 1 17 . 1 1 41 41 SER H H 41 8.646 8.646 8.129 0.517 17952 8157 1 17 . 1 1 42 42 LEU N N 42 120.612 120.612 122.632 -2.020 17952 8158 1 17 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.183 0.151 17952 8159 1 17 . 1 1 42 42 LEU CA C 42 54.828 54.828 56.198 -1.370 17952 8160 1 17 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.669 1.044 17952 8161 1 17 . 1 1 42 42 LEU H H 42 8.538 8.538 8.148 0.390 17952 8162 1 17 . 1 1 43 43 GLY N N 43 105.922 105.922 106.839 -0.917 17952 8163 1 17 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.176 0.095 17952 8164 1 17 . 1 1 43 43 GLY H H 43 8.317 8.317 8.324 -0.007 17952 8165 1 17 . 1 1 44 44 HIS N N 44 114.144 114.144 119.952 -5.808 17952 8166 1 17 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.722 0.343 17952 8167 1 17 . 1 1 44 44 HIS H H 44 7.145 7.145 8.024 -0.879 17952 8168 1 17 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.096 1.307 17952 8169 1 17 . 1 1 45 45 PRO CA C 45 62.561 62.561 63.742 -1.181 17952 8170 1 17 . 1 1 45 45 PRO CB C 45 33.097 33.097 30.971 2.126 17952 8171 1 17 . 1 1 46 46 ARG N N 46 116.294 116.294 124.252 -7.958 17952 8172 1 17 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.557 0.599 17952 8173 1 17 . 1 1 46 46 ARG CA C 46 56.154 56.154 53.263 2.891 17952 8174 1 17 . 1 1 46 46 ARG CB C 46 37.970 37.970 31.077 6.893 17952 8175 1 17 . 1 1 46 46 ARG H H 46 8.919 8.919 8.053 0.866 17952 8176 1 17 . 1 1 47 47 ILE N N 47 117.069 117.069 126.786 -9.717 17952 8177 1 17 . 1 1 47 47 ILE HA H 47 5.684 5.684 3.575 2.109 17952 8178 1 17 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.838 -2.018 17952 8179 1 17 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.266 3.446 17952 8180 1 17 . 1 1 47 47 ILE H H 47 9.106 9.106 8.849 0.257 17952 8181 1 17 . 1 1 48 48 GLY N N 48 116.903 116.903 118.495 -1.592 17952 8182 1 17 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.367 0.162 17952 8183 1 17 . 1 1 48 48 GLY H H 48 9.276 9.276 8.632 0.644 17952 8184 1 17 . 1 1 49 49 LEU N N 49 123.729 123.729 125.755 -2.026 17952 8185 1 17 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.562 0.879 17952 8186 1 17 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.005 -0.643 17952 8187 1 17 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.262 3.283 17952 8188 1 17 . 1 1 49 49 LEU H H 49 8.957 8.957 7.924 1.033 17952 8189 1 17 . 1 1 50 50 THR N N 50 120.870 120.870 125.994 -5.124 17952 8190 1 17 . 1 1 50 50 THR HA H 50 4.616 4.616 4.546 0.070 17952 8191 1 17 . 1 1 50 50 THR H H 50 9.419 9.419 9.215 0.204 17952 8192 1 17 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.387 -0.031 17952 8193 1 17 . 1 1 51 51 VAL CA C 51 60.110 60.110 59.691 0.419 17952 8194 1 17 . 1 1 51 51 VAL CB C 51 32.291 32.291 32.367 -0.076 17952 8195 1 17 . 1 1 52 52 ALA N N 52 129.415 129.415 132.064 -2.649 17952 8196 1 17 . 1 1 52 52 ALA CB C 52 19.312 19.312 19.590 -0.278 17952 8197 1 17 . 1 1 52 52 ALA H H 52 9.046 9.046 8.398 0.648 17952 8198 1 17 . 1 1 53 53 LYS N N 53 125.023 125.023 122.356 2.667 17952 8199 1 17 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.226 -0.137 17952 8200 1 17 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.059 0.676 17952 8201 1 17 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.455 -0.359 17952 8202 1 17 . 1 1 53 53 LYS H H 53 8.811 8.811 8.685 0.126 17952 8203 1 17 . 1 1 54 54 LYS N N 54 114.126 114.126 116.967 -2.841 17952 8204 1 17 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.159 -0.118 17952 8205 1 17 . 1 1 54 54 LYS CA C 54 57.953 57.953 58.511 -0.558 17952 8206 1 17 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.219 -0.289 17952 8207 1 17 . 1 1 54 54 LYS H H 54 8.073 8.073 8.277 -0.204 17952 8208 1 17 . 1 1 55 55 ASN N N 55 115.234 115.234 117.356 -2.122 17952 8209 1 17 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.696 0.162 17952 8210 1 17 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.794 -1.017 17952 8211 1 17 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.463 0.066 17952 8212 1 17 . 1 1 55 55 ASN H H 55 7.434 7.434 7.550 -0.116 17952 8213 1 17 . 1 1 56 56 VAL N N 56 121.000 121.000 121.022 -0.022 17952 8214 1 17 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.243 -0.070 17952 8215 1 17 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.114 0.647 17952 8216 1 17 . 1 1 56 56 VAL CB C 56 33.033 33.033 31.720 1.313 17952 8217 1 17 . 1 1 56 56 VAL H H 56 7.764 7.764 7.948 -0.184 17952 8218 1 17 . 1 1 57 57 ARG N N 57 125.781 125.781 124.061 1.720 17952 8219 1 17 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.262 -0.062 17952 8220 1 17 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.492 2.154 17952 8221 1 17 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.077 0.927 17952 8222 1 17 . 1 1 57 57 ARG H H 57 8.441 8.441 8.565 -0.124 17952 8223 1 17 . 1 1 58 58 ARG N N 58 118.159 118.159 117.580 0.579 17952 8224 1 17 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.525 0.069 17952 8225 1 17 . 1 1 58 58 ARG H H 58 8.250 8.250 7.516 0.734 17952 8226 1 17 . 1 1 60 60 HIS N N 60 116.957 116.957 119.184 -2.227 17952 8227 1 17 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.702 -0.267 17952 8228 1 17 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.795 0.810 17952 8229 1 17 . 1 1 60 60 HIS CB C 60 29.947 29.947 30.026 -0.079 17952 8230 1 17 . 1 1 60 60 HIS H H 60 7.600 7.600 8.691 -1.091 17952 8231 1 17 . 1 1 61 61 GLU N N 61 119.542 119.542 118.319 1.223 17952 8232 1 17 . 1 1 61 61 GLU HA H 61 4.429 4.429 3.986 0.443 17952 8233 1 17 . 1 1 61 61 GLU CA C 61 57.628 57.628 58.836 -1.208 17952 8234 1 17 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.444 1.361 17952 8235 1 17 . 1 1 61 61 GLU H H 61 6.702 6.702 8.977 -2.275 17952 8236 1 17 . 1 1 62 62 ARG N N 62 120.227 120.227 118.749 1.478 17952 8237 1 17 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.083 -0.350 17952 8238 1 17 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.017 2.514 17952 8239 1 17 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.080 -0.468 17952 8240 1 17 . 1 1 62 62 ARG H H 62 7.951 7.951 7.968 -0.017 17952 8241 1 17 . 1 1 63 63 ASN N N 63 116.757 116.757 119.054 -2.297 17952 8242 1 17 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.471 -0.037 17952 8243 1 17 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.396 -0.188 17952 8244 1 17 . 1 1 63 63 ASN CB C 63 37.825 37.825 37.987 -0.162 17952 8245 1 17 . 1 1 63 63 ASN H H 63 8.365 8.365 7.850 0.515 17952 8246 1 17 . 1 1 64 64 ARG N N 64 123.093 123.093 121.276 1.817 17952 8247 1 17 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.022 0.034 17952 8248 1 17 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.782 1.356 17952 8249 1 17 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.500 1.332 17952 8250 1 17 . 1 1 64 64 ARG H H 64 7.770 7.770 7.420 0.350 17952 8251 1 17 . 1 1 65 65 ILE N N 65 117.911 117.911 118.945 -1.034 17952 8252 1 17 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.811 -0.285 17952 8253 1 17 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.590 1.125 17952 8254 1 17 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.896 0.749 17952 8255 1 17 . 1 1 65 65 ILE H H 65 8.121 8.121 7.528 0.593 17952 8256 1 17 . 1 1 66 66 LYS N N 66 122.635 122.635 121.806 0.829 17952 8257 1 17 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.074 -0.303 17952 8258 1 17 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.752 1.183 17952 8259 1 17 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.436 -0.012 17952 8260 1 17 . 1 1 66 66 LYS H H 66 8.337 8.337 7.924 0.413 17952 8261 1 17 . 1 1 67 67 ARG N N 67 119.137 119.137 118.460 0.677 17952 8262 1 17 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.075 -0.067 17952 8263 1 17 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.931 1.058 17952 8264 1 17 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.104 -0.069 17952 8265 1 17 . 1 1 67 67 ARG H H 67 8.257 8.257 8.178 0.079 17952 8266 1 17 . 1 1 68 68 LEU N N 68 119.084 119.084 119.094 -0.010 17952 8267 1 17 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.252 -0.144 17952 8268 1 17 . 1 1 68 68 LEU CA C 68 58.022 58.022 57.759 0.263 17952 8269 1 17 . 1 1 68 68 LEU CB C 68 41.602 41.602 42.035 -0.433 17952 8270 1 17 . 1 1 68 68 LEU H H 68 8.427 8.427 7.792 0.635 17952 8271 1 17 . 1 1 69 69 THR N N 69 118.019 118.019 110.912 7.107 17952 8272 1 17 . 1 1 69 69 THR CA C 69 67.701 67.701 65.269 2.432 17952 8273 1 17 . 1 1 69 69 THR H H 69 8.433 8.433 8.128 0.305 17952 8274 1 17 . 1 1 70 70 ARG N N 70 122.713 122.713 119.386 3.327 17952 8275 1 17 . 1 1 70 70 ARG CA C 70 61.410 61.410 58.394 3.016 17952 8276 1 17 . 1 1 70 70 ARG CB C 70 30.050 30.050 29.851 0.199 17952 8277 1 17 . 1 1 70 70 ARG H H 70 8.346 8.346 7.913 0.433 17952 8278 1 17 . 1 1 71 71 GLU N N 71 118.890 118.890 119.666 -0.776 17952 8279 1 17 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.418 -0.152 17952 8280 1 17 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.298 1.183 17952 8281 1 17 . 1 1 71 71 GLU CB C 71 29.316 29.316 31.086 -1.770 17952 8282 1 17 . 1 1 71 71 GLU H H 71 8.334 8.334 7.643 0.691 17952 8283 1 17 . 1 1 72 72 SER N N 72 114.922 114.922 116.753 -1.831 17952 8284 1 17 . 1 1 72 72 SER HA H 72 4.243 4.243 4.164 0.079 17952 8285 1 17 . 1 1 72 72 SER CA C 72 61.292 61.292 61.484 -0.192 17952 8286 1 17 . 1 1 72 72 SER CB C 72 63.065 63.065 63.044 0.021 17952 8287 1 17 . 1 1 72 72 SER H H 72 8.205 8.205 7.666 0.539 17952 8288 1 17 . 1 1 73 73 PHE N N 73 122.665 122.665 120.197 2.468 17952 8289 1 17 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.639 -1.530 17952 8290 1 17 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.063 0.472 17952 8291 1 17 . 1 1 73 73 PHE H H 73 7.788 7.788 7.674 0.114 17952 8292 1 17 . 1 1 74 74 ARG N N 74 119.417 119.417 120.981 -1.564 17952 8293 1 17 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.349 -0.452 17952 8294 1 17 . 1 1 74 74 ARG CA C 74 59.201 59.201 58.458 0.743 17952 8295 1 17 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.455 -0.474 17952 8296 1 17 . 1 1 74 74 ARG H H 74 8.580 8.580 7.630 0.950 17952 8297 1 17 . 1 1 75 75 LEU N N 75 117.144 117.144 120.089 -2.945 17952 8298 1 17 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.393 -0.297 17952 8299 1 17 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.629 1.588 17952 8300 1 17 . 1 1 75 75 LEU CB C 75 42.788 42.788 41.294 1.494 17952 8301 1 17 . 1 1 75 75 LEU H H 75 7.903 7.903 8.037 -0.134 17952 8302 1 17 . 1 1 76 76 ARG N N 76 113.888 113.888 116.987 -3.099 17952 8303 1 17 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.790 -0.367 17952 8304 1 17 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.280 0.207 17952 8305 1 17 . 1 1 76 76 ARG CB C 76 31.867 31.867 30.616 1.250 17952 8306 1 17 . 1 1 76 76 ARG H H 76 6.736 6.736 7.500 -0.764 17952 8307 1 17 . 1 1 77 77 GLN N N 77 120.009 120.009 120.122 -0.113 17952 8308 1 17 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.210 3.046 17952 8309 1 17 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.181 0.407 17952 8310 1 17 . 1 1 77 77 GLN H H 77 7.273 7.273 8.370 -1.097 17952 8311 1 17 . 1 1 78 78 HIS N N 78 114.954 114.954 115.495 -0.541 17952 8312 1 17 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.493 -0.048 17952 8313 1 17 . 1 1 78 78 HIS CA C 78 57.800 57.800 58.165 -0.365 17952 8314 1 17 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.315 -0.913 17952 8315 1 17 . 1 1 78 78 HIS H H 78 8.389 8.389 8.167 0.222 17952 8316 1 17 . 1 1 79 79 GLU N N 79 118.231 118.231 117.999 0.232 17952 8317 1 17 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.381 0.026 17952 8318 1 17 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.433 -1.041 17952 8319 1 17 . 1 1 79 79 GLU CB C 79 31.296 31.296 31.602 -0.306 17952 8320 1 17 . 1 1 79 79 GLU H H 79 7.717 7.717 7.838 -0.121 17952 8321 1 17 . 1 1 80 80 LEU N N 80 119.751 119.751 122.612 -2.861 17952 8322 1 17 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.352 0.202 17952 8323 1 17 . 1 1 80 80 LEU H H 80 6.859 6.859 7.830 -0.971 17952 8324 1 17 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.310 0.261 17952 8325 1 17 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.867 -1.142 17952 8326 1 17 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.514 -0.182 17952 8327 1 17 . 1 1 82 82 ALA N N 82 122.525 122.525 126.347 -3.822 17952 8328 1 17 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.334 -0.576 17952 8329 1 17 . 1 1 82 82 ALA CB C 82 15.908 15.908 17.398 -1.490 17952 8330 1 17 . 1 1 82 82 ALA H H 82 8.425 8.425 8.550 -0.125 17952 8331 1 17 . 1 1 83 83 MET N N 83 122.963 122.963 117.604 5.359 17952 8332 1 17 . 1 1 83 83 MET HA H 83 4.387 4.387 4.935 -0.548 17952 8333 1 17 . 1 1 83 83 MET CA C 83 54.002 54.002 54.471 -0.469 17952 8334 1 17 . 1 1 83 83 MET CB C 83 35.655 35.655 36.032 -0.377 17952 8335 1 17 . 1 1 83 83 MET H H 83 7.851 7.851 8.008 -0.157 17952 8336 1 17 . 1 1 84 84 ASP N N 84 121.733 121.733 122.607 -0.874 17952 8337 1 17 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.737 0.015 17952 8338 1 17 . 1 1 84 84 ASP CA C 84 53.638 53.638 55.061 -1.423 17952 8339 1 17 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.659 0.331 17952 8340 1 17 . 1 1 84 84 ASP H H 84 8.393 8.393 8.508 -0.115 17952 8341 1 17 . 1 1 85 85 PHE N N 85 121.368 121.368 118.812 2.556 17952 8342 1 17 . 1 1 85 85 PHE HA H 85 5.956 5.956 5.084 0.872 17952 8343 1 17 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.091 -0.011 17952 8344 1 17 . 1 1 85 85 PHE H H 85 8.849 8.849 7.553 1.296 17952 8345 1 17 . 1 1 86 86 VAL N N 86 120.431 120.431 115.589 4.842 17952 8346 1 17 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.496 0.120 17952 8347 1 17 . 1 1 86 86 VAL CA C 86 60.874 60.874 60.162 0.712 17952 8348 1 17 . 1 1 86 86 VAL CB C 86 34.882 34.882 34.230 0.652 17952 8349 1 17 . 1 1 86 86 VAL H H 86 9.407 9.407 8.886 0.521 17952 8350 1 17 . 1 1 87 87 VAL N N 87 127.860 127.860 125.258 2.602 17952 8351 1 17 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.604 0.013 17952 8352 1 17 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.372 0.048 17952 8353 1 17 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.062 -0.940 17952 8354 1 17 . 1 1 87 87 VAL H H 87 8.843 8.843 8.617 0.226 17952 8355 1 17 . 1 1 88 88 VAL N N 88 128.150 128.150 128.598 -0.448 17952 8356 1 17 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.650 0.005 17952 8357 1 17 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.732 0.533 17952 8358 1 17 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.832 0.607 17952 8359 1 17 . 1 1 88 88 VAL H H 88 9.538 9.538 9.241 0.297 17952 8360 1 17 . 1 1 89 89 ALA N N 89 128.337 128.337 132.015 -3.678 17952 8361 1 17 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.594 0.010 17952 8362 1 17 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.199 0.672 17952 8363 1 17 . 1 1 89 89 ALA H H 89 8.170 8.170 8.868 -0.698 17952 8364 1 17 . 1 1 90 90 LYS N N 90 123.110 123.110 123.636 -0.526 17952 8365 1 17 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.620 -0.143 17952 8366 1 17 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.351 1.759 17952 8367 1 17 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.087 -0.632 17952 8368 1 17 . 1 1 90 90 LYS H H 90 8.231 8.231 8.604 -0.373 17952 8369 1 17 . 1 1 91 91 LYS N N 91 119.291 119.291 120.070 -0.779 17952 8370 1 17 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.428 -0.380 17952 8371 1 17 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.177 1.994 17952 8372 1 17 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.522 0.697 17952 8373 1 17 . 1 1 91 91 LYS H H 91 8.162 8.162 8.668 -0.506 17952 8374 1 17 . 1 1 92 92 GLY N N 92 112.991 112.991 111.483 1.508 17952 8375 1 17 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.436 -0.300 17952 8376 1 17 . 1 1 92 92 GLY H H 92 8.783 8.783 8.103 0.680 17952 8377 1 17 . 1 1 93 93 VAL N N 93 122.937 122.937 119.967 2.970 17952 8378 1 17 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.858 -0.128 17952 8379 1 17 . 1 1 93 93 VAL CA C 93 64.911 64.911 65.776 -0.865 17952 8380 1 17 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.321 -1.323 17952 8381 1 17 . 1 1 93 93 VAL H H 93 8.363 8.363 7.464 0.899 17952 8382 1 17 . 1 1 94 94 ALA N N 94 119.882 119.882 120.724 -0.842 17952 8383 1 17 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.179 -0.083 17952 8384 1 17 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.854 -0.185 17952 8385 1 17 . 1 1 94 94 ALA H H 94 7.960 7.960 8.237 -0.277 17952 8386 1 17 . 1 1 95 95 ASP N N 95 114.705 114.705 118.025 -3.320 17952 8387 1 17 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.735 -0.243 17952 8388 1 17 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.390 1.471 17952 8389 1 17 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.274 -0.391 17952 8390 1 17 . 1 1 95 95 ASP H H 95 7.360 7.360 7.728 -0.368 17952 8391 1 17 . 1 1 96 96 LEU N N 96 120.424 120.424 120.338 0.086 17952 8392 1 17 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.478 -0.020 17952 8393 1 17 . 1 1 96 96 LEU CA C 96 54.357 54.357 54.056 0.301 17952 8394 1 17 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.143 -0.710 17952 8395 1 17 . 1 1 96 96 LEU H H 96 7.389 7.389 7.376 0.013 17952 8396 1 17 . 1 1 97 97 ASP N N 97 123.018 123.018 119.634 3.384 17952 8397 1 17 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.741 -0.211 17952 8398 1 17 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.220 -0.385 17952 8399 1 17 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.669 -2.167 17952 8400 1 17 . 1 1 97 97 ASP H H 97 8.473 8.473 8.360 0.114 17952 8401 1 17 . 1 1 98 98 ASN N N 98 117.692 117.692 120.896 -3.204 17952 8402 1 17 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.423 -0.287 17952 8403 1 17 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.006 0.859 17952 8404 1 17 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.703 -1.763 17952 8405 1 17 . 1 1 98 98 ASN H H 98 8.651 8.651 8.859 -0.208 17952 8406 1 17 . 1 1 99 99 ARG N N 99 120.819 120.819 120.416 0.403 17952 8407 1 17 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.079 -0.026 17952 8408 1 17 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.575 0.923 17952 8409 1 17 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.233 -0.916 17952 8410 1 17 . 1 1 99 99 ARG H H 99 8.191 8.191 8.287 -0.096 17952 8411 1 17 . 1 1 100 100 ALA N N 100 122.928 122.928 123.013 -0.085 17952 8412 1 17 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.117 0.034 17952 8413 1 17 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.852 0.197 17952 8414 1 17 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.108 0.889 17952 8415 1 17 . 1 1 100 100 ALA H H 100 8.524 8.524 8.249 0.275 17952 8416 1 17 . 1 1 101 101 LEU N N 101 120.795 120.795 117.955 2.840 17952 8417 1 17 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.991 0.107 17952 8418 1 17 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.514 0.721 17952 8419 1 17 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.512 -0.003 17952 8420 1 17 . 1 1 101 101 LEU H H 101 8.961 8.961 8.019 0.942 17952 8421 1 17 . 1 1 102 102 SER N N 102 115.314 115.314 114.333 0.981 17952 8422 1 17 . 1 1 102 102 SER HA H 102 4.123 4.123 4.153 -0.030 17952 8423 1 17 . 1 1 102 102 SER CB C 102 62.761 62.761 62.664 0.097 17952 8424 1 17 . 1 1 102 102 SER H H 102 8.459 8.459 7.449 1.010 17952 8425 1 17 . 1 1 103 103 GLU N N 103 122.468 122.468 120.480 1.988 17952 8426 1 17 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.138 -0.008 17952 8427 1 17 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.498 0.970 17952 8428 1 17 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.406 0.122 17952 8429 1 17 . 1 1 103 103 GLU H H 103 8.492 8.492 7.712 0.780 17952 8430 1 17 . 1 1 104 104 ALA N N 104 123.159 123.159 120.947 2.212 17952 8431 1 17 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.365 -0.275 17952 8432 1 17 . 1 1 104 104 ALA CA C 104 55.242 55.242 53.925 1.317 17952 8433 1 17 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.936 -1.109 17952 8434 1 17 . 1 1 104 104 ALA H H 104 8.074 8.074 7.909 0.165 17952 8435 1 17 . 1 1 105 105 LEU N N 105 116.602 116.602 120.926 -4.324 17952 8436 1 17 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.978 -0.426 17952 8437 1 17 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.936 0.468 17952 8438 1 17 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.455 0.164 17952 8439 1 17 . 1 1 105 105 LEU H H 105 8.318 8.318 7.838 0.480 17952 8440 1 17 . 1 1 106 106 GLU N N 106 117.564 117.564 115.849 1.715 17952 8441 1 17 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.087 0.145 17952 8442 1 17 . 1 1 106 106 GLU CA C 106 60.416 60.416 58.853 1.563 17952 8443 1 17 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.949 -0.024 17952 8444 1 17 . 1 1 106 106 GLU H H 106 8.009 8.009 8.155 -0.146 17952 8445 1 17 . 1 1 107 107 LYS N N 107 117.286 117.286 120.239 -2.953 17952 8446 1 17 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.211 -0.237 17952 8447 1 17 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.406 1.501 17952 8448 1 17 . 1 1 107 107 LYS CB C 107 32.381 32.381 32.072 0.309 17952 8449 1 17 . 1 1 107 107 LYS H H 107 7.787 7.787 7.804 -0.017 17952 8450 1 17 . 1 1 108 108 LEU N N 108 120.504 120.504 116.720 3.784 17952 8451 1 17 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.307 -0.328 17952 8452 1 17 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.771 0.046 17952 8453 1 17 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.364 0.936 17952 8454 1 17 . 1 1 108 108 LEU H H 108 7.875 7.875 7.464 0.411 17952 8455 1 17 . 1 1 109 109 TRP N N 109 120.547 120.547 122.333 -1.786 17952 8456 1 17 . 1 1 109 109 TRP CA C 109 59.887 59.887 62.031 -2.144 17952 8457 1 17 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.566 1.197 17952 8458 1 17 . 1 1 109 109 TRP H H 109 9.048 9.048 7.858 1.190 17952 8459 1 17 . 1 1 110 110 ARG N N 110 117.678 117.678 120.615 -2.937 17952 8460 1 17 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.835 0.239 17952 8461 1 17 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.090 1.153 17952 8462 1 17 . 1 1 110 110 ARG CB C 110 29.641 29.641 30.114 -0.473 17952 8463 1 17 . 1 1 110 110 ARG H H 110 8.425 8.425 8.050 0.375 17952 8464 1 17 . 1 1 111 111 ARG N N 111 121.156 121.156 119.365 1.791 17952 8465 1 17 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.030 0.145 17952 8466 1 17 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.601 0.467 17952 8467 1 17 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.648 -0.579 17952 8468 1 17 . 1 1 111 111 ARG H H 111 8.100 8.100 8.230 -0.130 17952 8469 1 17 . 1 1 112 112 HIS N N 112 118.118 118.118 117.196 0.922 17952 8470 1 17 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.397 -0.094 17952 8471 1 17 . 1 1 112 112 HIS CA C 112 61.535 61.535 57.839 3.696 17952 8472 1 17 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.272 1.645 17952 8473 1 17 . 1 1 112 112 HIS H H 112 8.250 8.250 7.747 0.503 17952 8474 1 17 . 1 1 113 113 CYS N N 113 117.579 117.579 116.757 0.822 17952 8475 1 17 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.896 0.368 17952 8476 1 17 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.517 2.619 17952 8477 1 17 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.692 -0.907 17952 8478 1 17 . 1 1 113 113 CYS H H 113 8.181 8.181 7.685 0.496 17952 8479 1 17 . 1 1 114 114 ARG N N 114 120.172 120.172 121.243 -1.071 17952 8480 1 17 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.100 0.047 17952 8481 1 17 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.089 0.961 17952 8482 1 17 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.890 -0.072 17952 8483 1 17 . 1 1 114 114 ARG H H 114 7.870 7.870 7.676 0.194 17952 8484 1 17 . 1 1 115 115 LEU N N 115 120.720 120.720 120.788 -0.068 17952 8485 1 17 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.496 -0.379 17952 8486 1 17 . 1 1 115 115 LEU CA C 115 57.362 57.362 54.763 2.599 17952 8487 1 17 . 1 1 115 115 LEU CB C 115 41.902 41.902 40.528 1.374 17952 8488 1 17 . 1 1 115 115 LEU H H 115 8.690 8.690 7.553 1.137 17952 8489 1 17 . 1 1 116 116 ALA N N 116 119.118 119.118 122.480 -3.362 17952 8490 1 17 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.383 -0.016 17952 8491 1 17 . 1 1 116 116 ALA CB C 116 19.088 19.088 19.624 -0.536 17952 8492 1 17 . 1 1 116 116 ALA H H 116 7.751 7.751 8.124 -0.373 17952 8493 1 17 . 1 1 117 117 ARG N N 117 117.010 117.010 118.779 -1.769 17952 8494 1 17 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.458 -0.070 17952 8495 1 17 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.507 1.539 17952 8496 1 17 . 1 1 117 117 ARG CB C 117 30.858 30.858 31.796 -0.938 17952 8497 1 17 . 1 1 117 117 ARG H H 117 7.602 7.602 7.843 -0.241 17952 8498 1 17 . 1 1 118 118 GLY N N 118 108.836 108.836 107.052 1.784 17952 8499 1 17 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.222 0.344 17952 8500 1 17 . 1 1 118 118 GLY H H 118 8.087 8.087 8.031 0.056 17952 8501 1 18 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.112 1.079 17952 8502 1 18 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.019 -0.053 17952 8503 1 18 . 1 1 4 4 LEU N N 4 125.667 125.667 123.899 1.768 17952 8504 1 18 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.355 0.032 17952 8505 1 18 . 1 1 4 4 LEU CA C 4 54.667 54.667 54.802 -0.135 17952 8506 1 18 . 1 1 4 4 LEU CB C 4 42.618 42.618 42.791 -0.173 17952 8507 1 18 . 1 1 4 4 LEU H H 4 8.498 8.498 8.629 -0.131 17952 8508 1 18 . 1 1 5 5 ALA N N 5 126.419 126.419 128.117 -1.698 17952 8509 1 18 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.393 -0.022 17952 8510 1 18 . 1 1 5 5 ALA CB C 5 19.337 19.337 18.339 0.998 17952 8511 1 18 . 1 1 5 5 ALA H H 5 8.435 8.435 8.385 0.050 17952 8512 1 18 . 1 1 6 6 PHE N N 6 124.718 124.718 124.524 0.194 17952 8513 1 18 . 1 1 6 6 PHE H H 6 8.714 8.714 8.144 0.570 17952 8514 1 18 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.410 -0.174 17952 8515 1 18 . 1 1 7 7 PRO CA C 7 63.736 63.736 63.481 0.255 17952 8516 1 18 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.943 0.459 17952 8517 1 18 . 1 1 8 8 ARG N N 8 124.351 124.351 123.407 0.944 17952 8518 1 18 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.252 -0.468 17952 8519 1 18 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.119 1.853 17952 8520 1 18 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.819 0.437 17952 8521 1 18 . 1 1 8 8 ARG H H 8 8.650 8.650 8.409 0.241 17952 8522 1 18 . 1 1 9 9 GLU N N 9 117.015 117.015 119.220 -2.205 17952 8523 1 18 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.158 0.083 17952 8524 1 18 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.460 0.076 17952 8525 1 18 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.461 -1.175 17952 8526 1 18 . 1 1 9 9 GLU H H 9 9.522 9.522 7.890 1.632 17952 8527 1 18 . 1 1 10 10 LEU N N 10 116.269 116.269 119.764 -3.495 17952 8528 1 18 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.346 0.336 17952 8529 1 18 . 1 1 10 10 LEU CA C 10 54.324 54.324 56.142 -1.818 17952 8530 1 18 . 1 1 10 10 LEU CB C 10 42.305 42.305 43.707 -1.402 17952 8531 1 18 . 1 1 10 10 LEU H H 10 7.285 7.285 7.561 -0.276 17952 8532 1 18 . 1 1 11 11 ARG N N 11 116.982 116.982 116.304 0.678 17952 8533 1 18 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.536 0.509 17952 8534 1 18 . 1 1 11 11 ARG CA C 11 55.671 55.671 54.450 1.221 17952 8535 1 18 . 1 1 11 11 ARG CB C 11 32.827 32.827 33.175 -0.348 17952 8536 1 18 . 1 1 11 11 ARG H H 11 7.618 7.618 7.931 -0.313 17952 8537 1 18 . 1 1 12 12 LEU N N 12 119.127 119.127 123.491 -4.364 17952 8538 1 18 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.345 -0.016 17952 8539 1 18 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.335 -0.220 17952 8540 1 18 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.190 -0.507 17952 8541 1 18 . 1 1 12 12 LEU H H 12 7.289 7.289 8.502 -1.213 17952 8542 1 18 . 1 1 13 13 LEU N N 13 123.181 123.181 122.911 0.270 17952 8543 1 18 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.087 0.660 17952 8544 1 18 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.264 0.926 17952 8545 1 18 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.092 4.142 17952 8546 1 18 . 1 1 13 13 LEU H H 13 8.816 8.816 8.306 0.510 17952 8547 1 18 . 1 1 14 14 THR N N 14 111.810 111.810 109.480 2.330 17952 8548 1 18 . 1 1 14 14 THR HA H 14 5.104 5.104 4.643 0.461 17952 8549 1 18 . 1 1 14 14 THR H H 14 8.321 8.321 7.695 0.626 17952 8550 1 18 . 1 1 16 16 SER HA H 16 4.282 4.282 4.735 -0.453 17952 8551 1 18 . 1 1 16 16 SER CB C 16 62.228 62.228 63.758 -1.530 17952 8552 1 18 . 1 1 17 17 GLN N N 17 122.336 122.336 127.248 -4.912 17952 8553 1 18 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.205 -0.127 17952 8554 1 18 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.451 -0.329 17952 8555 1 18 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.277 0.826 17952 8556 1 18 . 1 1 17 17 GLN H H 17 7.967 7.967 9.083 -1.116 17952 8557 1 18 . 1 1 18 18 PHE N N 18 119.658 119.658 120.135 -0.477 17952 8558 1 18 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.068 0.572 17952 8559 1 18 . 1 1 18 18 PHE CB C 18 38.490 38.490 39.048 -0.558 17952 8560 1 18 . 1 1 18 18 PHE H H 18 7.733 7.733 8.312 -0.579 17952 8561 1 18 . 1 1 19 19 THR N N 19 116.141 116.141 111.699 4.442 17952 8562 1 18 . 1 1 19 19 THR HA H 19 3.911 3.911 4.076 -0.165 17952 8563 1 18 . 1 1 19 19 THR CA C 19 67.058 67.058 63.891 3.167 17952 8564 1 18 . 1 1 19 19 THR CB C 19 68.790 68.790 68.813 -0.023 17952 8565 1 18 . 1 1 19 19 THR H H 19 8.622 8.622 7.733 0.889 17952 8566 1 18 . 1 1 20 20 PHE N N 20 119.904 119.904 122.112 -2.208 17952 8567 1 18 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.172 -0.023 17952 8568 1 18 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.673 -0.413 17952 8569 1 18 . 1 1 20 20 PHE H H 20 7.728 7.728 7.737 -0.009 17952 8570 1 18 . 1 1 21 21 VAL N N 21 117.896 117.896 116.302 1.594 17952 8571 1 18 . 1 1 21 21 VAL HA H 21 3.082 3.082 4.249 -1.167 17952 8572 1 18 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.121 2.215 17952 8573 1 18 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.077 0.512 17952 8574 1 18 . 1 1 21 21 VAL H H 21 6.861 6.861 7.716 -0.855 17952 8575 1 18 . 1 1 22 22 PHE N N 22 114.352 114.352 118.842 -4.490 17952 8576 1 18 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.366 -0.355 17952 8577 1 18 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.736 -0.151 17952 8578 1 18 . 1 1 22 22 PHE H H 22 7.653 7.653 7.690 -0.037 17952 8579 1 18 . 1 1 23 23 GLN N N 23 116.245 116.245 117.494 -1.249 17952 8580 1 18 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.982 0.051 17952 8581 1 18 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.697 0.718 17952 8582 1 18 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.032 -0.082 17952 8583 1 18 . 1 1 23 23 GLN H H 23 7.928 7.928 7.566 0.362 17952 8584 1 18 . 1 1 24 24 GLN N N 24 114.087 114.087 116.969 -2.882 17952 8585 1 18 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.553 -0.128 17952 8586 1 18 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.472 1.219 17952 8587 1 18 . 1 1 24 24 GLN CB C 24 29.457 29.457 29.700 -0.243 17952 8588 1 18 . 1 1 24 24 GLN H H 24 6.731 6.731 7.396 -0.665 17952 8589 1 18 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.573 0.455 17952 8590 1 18 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.599 0.580 17952 8591 1 18 . 1 1 25 25 PRO CB C 25 32.577 32.577 31.976 0.602 17952 8592 1 18 . 1 1 26 26 GLN N N 26 120.107 120.107 124.245 -4.138 17952 8593 1 18 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.137 0.142 17952 8594 1 18 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.720 0.836 17952 8595 1 18 . 1 1 26 26 GLN H H 26 9.622 9.622 8.498 1.124 17952 8596 1 18 . 1 1 27 27 ARG N N 27 125.712 125.712 128.131 -2.419 17952 8597 1 18 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.568 0.652 17952 8598 1 18 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.265 0.860 17952 8599 1 18 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.274 4.367 17952 8600 1 18 . 1 1 27 27 ARG H H 27 9.068 9.068 8.866 0.202 17952 8601 1 18 . 1 1 28 28 ALA N N 28 123.402 123.402 131.057 -7.655 17952 8602 1 18 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.746 -0.232 17952 8603 1 18 . 1 1 28 28 ALA CB C 28 21.919 21.919 19.996 1.923 17952 8604 1 18 . 1 1 28 28 ALA H H 28 8.102 8.102 8.437 -0.335 17952 8605 1 18 . 1 1 29 29 GLY N N 29 109.532 109.532 110.750 -1.218 17952 8606 1 18 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.780 1.104 17952 8607 1 18 . 1 1 29 29 GLY H H 29 8.572 8.572 8.043 0.529 17952 8608 1 18 . 1 1 30 30 THR N N 30 113.168 113.168 112.026 1.142 17952 8609 1 18 . 1 1 30 30 THR HA H 30 4.953 4.953 4.959 -0.006 17952 8610 1 18 . 1 1 30 30 THR H H 30 9.199 9.199 8.713 0.486 17952 8611 1 18 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.645 -0.348 17952 8612 1 18 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.500 1.011 17952 8613 1 18 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.139 -1.156 17952 8614 1 18 . 1 1 32 32 GLN N N 32 110.281 110.281 116.549 -6.268 17952 8615 1 18 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.362 -0.167 17952 8616 1 18 . 1 1 32 32 GLN CA C 32 58.478 58.478 56.733 1.745 17952 8617 1 18 . 1 1 32 32 GLN CB C 32 28.996 28.996 30.381 -1.385 17952 8618 1 18 . 1 1 32 32 GLN H H 32 7.403 7.403 7.803 -0.400 17952 8619 1 18 . 1 1 33 33 ILE N N 33 118.254 118.254 118.123 0.131 17952 8620 1 18 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.192 0.048 17952 8621 1 18 . 1 1 33 33 ILE CB C 33 42.791 42.791 41.050 1.741 17952 8622 1 18 . 1 1 33 33 ILE H H 33 7.353 7.353 8.137 -0.784 17952 8623 1 18 . 1 1 34 34 THR N N 34 122.650 122.650 126.672 -4.022 17952 8624 1 18 . 1 1 34 34 THR HA H 34 4.946 4.946 4.812 0.134 17952 8625 1 18 . 1 1 34 34 THR CA C 34 61.792 61.792 61.701 0.091 17952 8626 1 18 . 1 1 34 34 THR CB C 34 71.752 71.752 69.861 1.891 17952 8627 1 18 . 1 1 34 34 THR H H 34 8.787 8.787 9.270 -0.483 17952 8628 1 18 . 1 1 35 35 ILE N N 35 123.778 123.778 128.699 -4.921 17952 8629 1 18 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.496 0.665 17952 8630 1 18 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.951 0.762 17952 8631 1 18 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.437 1.606 17952 8632 1 18 . 1 1 35 35 ILE H H 35 9.109 9.109 9.070 0.039 17952 8633 1 18 . 1 1 36 36 LEU N N 36 132.558 132.558 129.473 3.085 17952 8634 1 18 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.503 0.131 17952 8635 1 18 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.484 -0.240 17952 8636 1 18 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.950 1.548 17952 8637 1 18 . 1 1 36 36 LEU H H 36 9.500 9.500 8.988 0.512 17952 8638 1 18 . 1 1 37 37 GLY N N 37 106.940 106.940 112.934 -5.994 17952 8639 1 18 . 1 1 37 37 GLY CA C 37 45.258 45.258 45.282 -0.024 17952 8640 1 18 . 1 1 37 37 GLY H H 37 9.058 9.058 8.177 0.881 17952 8641 1 18 . 1 1 38 38 ARG N N 38 121.378 121.378 126.590 -5.212 17952 8642 1 18 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.558 0.094 17952 8643 1 18 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.894 0.391 17952 8644 1 18 . 1 1 38 38 ARG CB C 38 35.176 35.176 30.732 4.444 17952 8645 1 18 . 1 1 38 38 ARG H H 38 8.384 8.384 8.605 -0.221 17952 8646 1 18 . 1 1 39 39 LEU N N 39 129.596 129.596 122.920 6.676 17952 8647 1 18 . 1 1 39 39 LEU CB C 39 42.472 42.472 45.809 -3.337 17952 8648 1 18 . 1 1 39 39 LEU H H 39 9.030 9.030 7.761 1.269 17952 8649 1 18 . 1 1 40 40 ASN N N 40 119.921 119.921 118.910 1.011 17952 8650 1 18 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.607 -1.061 17952 8651 1 18 . 1 1 40 40 ASN CB C 40 41.088 41.088 39.411 1.677 17952 8652 1 18 . 1 1 40 40 ASN H H 40 8.186 8.186 8.654 -0.468 17952 8653 1 18 . 1 1 41 41 SER N N 41 112.600 112.600 121.557 -8.957 17952 8654 1 18 . 1 1 41 41 SER HA H 41 4.484 4.484 4.752 -0.268 17952 8655 1 18 . 1 1 41 41 SER CB C 41 62.949 62.949 61.543 1.406 17952 8656 1 18 . 1 1 41 41 SER H H 41 8.646 8.646 8.768 -0.122 17952 8657 1 18 . 1 1 42 42 LEU N N 42 120.612 120.612 124.067 -3.455 17952 8658 1 18 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.339 -0.005 17952 8659 1 18 . 1 1 42 42 LEU CA C 42 54.828 54.828 55.588 -0.760 17952 8660 1 18 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.213 1.500 17952 8661 1 18 . 1 1 42 42 LEU H H 42 8.538 8.538 8.261 0.277 17952 8662 1 18 . 1 1 43 43 GLY N N 43 105.922 105.922 106.192 -0.270 17952 8663 1 18 . 1 1 43 43 GLY CA C 43 45.271 45.271 44.763 0.508 17952 8664 1 18 . 1 1 43 43 GLY H H 43 8.317 8.317 7.903 0.414 17952 8665 1 18 . 1 1 44 44 HIS N N 44 114.144 114.144 121.872 -7.728 17952 8666 1 18 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.929 0.136 17952 8667 1 18 . 1 1 44 44 HIS H H 44 7.145 7.145 8.089 -0.944 17952 8668 1 18 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.990 0.413 17952 8669 1 18 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.435 0.126 17952 8670 1 18 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.974 1.123 17952 8671 1 18 . 1 1 46 46 ARG N N 46 116.294 116.294 125.984 -9.690 17952 8672 1 18 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.524 0.632 17952 8673 1 18 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.411 1.743 17952 8674 1 18 . 1 1 46 46 ARG CB C 46 37.970 37.970 32.678 5.292 17952 8675 1 18 . 1 1 46 46 ARG H H 46 8.919 8.919 8.651 0.268 17952 8676 1 18 . 1 1 47 47 ILE N N 47 117.069 117.069 127.702 -10.633 17952 8677 1 18 . 1 1 47 47 ILE HA H 47 5.684 5.684 3.156 2.528 17952 8678 1 18 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.896 -1.076 17952 8679 1 18 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.319 3.393 17952 8680 1 18 . 1 1 47 47 ILE H H 47 9.106 9.106 8.753 0.353 17952 8681 1 18 . 1 1 48 48 GLY N N 48 116.903 116.903 118.108 -1.205 17952 8682 1 18 . 1 1 48 48 GLY CA C 48 44.529 44.529 43.961 0.568 17952 8683 1 18 . 1 1 48 48 GLY H H 48 9.276 9.276 8.445 0.831 17952 8684 1 18 . 1 1 49 49 LEU N N 49 123.729 123.729 126.555 -2.826 17952 8685 1 18 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.397 1.044 17952 8686 1 18 . 1 1 49 49 LEU CA C 49 54.362 54.362 55.221 -0.859 17952 8687 1 18 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.350 3.195 17952 8688 1 18 . 1 1 49 49 LEU H H 49 8.957 8.957 7.524 1.433 17952 8689 1 18 . 1 1 50 50 THR N N 50 120.870 120.870 125.974 -5.104 17952 8690 1 18 . 1 1 50 50 THR HA H 50 4.616 4.616 4.628 -0.012 17952 8691 1 18 . 1 1 50 50 THR H H 50 9.419 9.419 9.182 0.237 17952 8692 1 18 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.293 0.063 17952 8693 1 18 . 1 1 51 51 VAL CA C 51 60.110 60.110 61.266 -1.156 17952 8694 1 18 . 1 1 51 51 VAL CB C 51 32.291 32.291 35.017 -2.726 17952 8695 1 18 . 1 1 52 52 ALA N N 52 129.415 129.415 129.038 0.377 17952 8696 1 18 . 1 1 52 52 ALA CB C 52 19.312 19.312 21.459 -2.147 17952 8697 1 18 . 1 1 52 52 ALA H H 52 9.046 9.046 8.367 0.679 17952 8698 1 18 . 1 1 53 53 LYS N N 53 125.023 125.023 117.991 7.032 17952 8699 1 18 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.496 -0.407 17952 8700 1 18 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.518 1.217 17952 8701 1 18 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.801 -0.705 17952 8702 1 18 . 1 1 53 53 LYS H H 53 8.811 8.811 8.435 0.376 17952 8703 1 18 . 1 1 54 54 LYS N N 54 114.126 114.126 117.688 -3.562 17952 8704 1 18 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.150 -0.109 17952 8705 1 18 . 1 1 54 54 LYS CA C 54 57.953 57.953 58.471 -0.518 17952 8706 1 18 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.423 -0.493 17952 8707 1 18 . 1 1 54 54 LYS H H 54 8.073 8.073 8.152 -0.079 17952 8708 1 18 . 1 1 55 55 ASN N N 55 115.234 115.234 115.577 -0.343 17952 8709 1 18 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.696 0.162 17952 8710 1 18 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.070 -0.293 17952 8711 1 18 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.018 0.511 17952 8712 1 18 . 1 1 55 55 ASN H H 55 7.434 7.434 7.977 -0.543 17952 8713 1 18 . 1 1 56 56 VAL N N 56 121.000 121.000 123.618 -2.618 17952 8714 1 18 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.289 -0.116 17952 8715 1 18 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.654 0.107 17952 8716 1 18 . 1 1 56 56 VAL CB C 56 33.033 33.033 30.945 2.088 17952 8717 1 18 . 1 1 56 56 VAL H H 56 7.764 7.764 7.498 0.266 17952 8718 1 18 . 1 1 57 57 ARG N N 57 125.781 125.781 124.796 0.985 17952 8719 1 18 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.441 -0.241 17952 8720 1 18 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.618 2.028 17952 8721 1 18 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.448 0.555 17952 8722 1 18 . 1 1 57 57 ARG H H 57 8.441 8.441 7.728 0.713 17952 8723 1 18 . 1 1 58 58 ARG N N 58 118.159 118.159 119.609 -1.450 17952 8724 1 18 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.501 0.093 17952 8725 1 18 . 1 1 58 58 ARG H H 58 8.250 8.250 7.762 0.488 17952 8726 1 18 . 1 1 60 60 HIS N N 60 116.957 116.957 117.336 -0.379 17952 8727 1 18 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.411 0.024 17952 8728 1 18 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.547 1.058 17952 8729 1 18 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.742 0.205 17952 8730 1 18 . 1 1 60 60 HIS H H 60 7.600 7.600 8.391 -0.791 17952 8731 1 18 . 1 1 61 61 GLU N N 61 119.542 119.542 118.057 1.485 17952 8732 1 18 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.421 0.008 17952 8733 1 18 . 1 1 61 61 GLU CA C 61 57.628 57.628 55.553 2.075 17952 8734 1 18 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.832 0.973 17952 8735 1 18 . 1 1 61 61 GLU H H 61 6.702 6.702 7.654 -0.952 17952 8736 1 18 . 1 1 62 62 ARG N N 62 120.227 120.227 119.505 0.722 17952 8737 1 18 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.009 -0.276 17952 8738 1 18 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.500 3.031 17952 8739 1 18 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.852 -0.240 17952 8740 1 18 . 1 1 62 62 ARG H H 62 7.951 7.951 7.505 0.446 17952 8741 1 18 . 1 1 63 63 ASN N N 63 116.757 116.757 117.348 -0.591 17952 8742 1 18 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.483 -0.049 17952 8743 1 18 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.397 0.812 17952 8744 1 18 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.061 -0.236 17952 8745 1 18 . 1 1 63 63 ASN H H 63 8.365 8.365 7.830 0.535 17952 8746 1 18 . 1 1 64 64 ARG N N 64 123.093 123.093 119.807 3.286 17952 8747 1 18 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.056 -0.000 17952 8748 1 18 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.761 1.377 17952 8749 1 18 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.519 1.313 17952 8750 1 18 . 1 1 64 64 ARG H H 64 7.770 7.770 8.002 -0.232 17952 8751 1 18 . 1 1 65 65 ILE N N 65 117.911 117.911 119.132 -1.221 17952 8752 1 18 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.785 -0.261 17952 8753 1 18 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.002 1.713 17952 8754 1 18 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.383 1.262 17952 8755 1 18 . 1 1 65 65 ILE H H 65 8.121 8.121 7.459 0.662 17952 8756 1 18 . 1 1 66 66 LYS N N 66 122.635 122.635 120.653 1.982 17952 8757 1 18 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.003 -0.232 17952 8758 1 18 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.952 0.983 17952 8759 1 18 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.166 0.258 17952 8760 1 18 . 1 1 66 66 LYS H H 66 8.337 8.337 7.424 0.913 17952 8761 1 18 . 1 1 67 67 ARG N N 67 119.137 119.137 118.935 0.202 17952 8762 1 18 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.077 -0.069 17952 8763 1 18 . 1 1 67 67 ARG CA C 67 59.989 59.989 59.246 0.743 17952 8764 1 18 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.073 -0.038 17952 8765 1 18 . 1 1 67 67 ARG H H 67 8.257 8.257 7.591 0.666 17952 8766 1 18 . 1 1 68 68 LEU N N 68 119.084 119.084 121.539 -2.455 17952 8767 1 18 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.191 -0.083 17952 8768 1 18 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.373 -0.351 17952 8769 1 18 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.593 0.009 17952 8770 1 18 . 1 1 68 68 LEU H H 68 8.427 8.427 8.374 0.053 17952 8771 1 18 . 1 1 69 69 THR N N 69 118.019 118.019 108.236 9.783 17952 8772 1 18 . 1 1 69 69 THR CA C 69 67.701 67.701 63.283 4.418 17952 8773 1 18 . 1 1 69 69 THR H H 69 8.433 8.433 8.020 0.413 17952 8774 1 18 . 1 1 70 70 ARG N N 70 122.713 122.713 123.136 -0.423 17952 8775 1 18 . 1 1 70 70 ARG CA C 70 61.410 61.410 58.642 2.768 17952 8776 1 18 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.368 -0.318 17952 8777 1 18 . 1 1 70 70 ARG H H 70 8.346 8.346 7.281 1.065 17952 8778 1 18 . 1 1 71 71 GLU N N 71 118.890 118.890 118.261 0.629 17952 8779 1 18 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.126 0.140 17952 8780 1 18 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.765 0.716 17952 8781 1 18 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.149 0.167 17952 8782 1 18 . 1 1 71 71 GLU H H 71 8.334 8.334 8.095 0.239 17952 8783 1 18 . 1 1 72 72 SER N N 72 114.922 114.922 114.052 0.870 17952 8784 1 18 . 1 1 72 72 SER HA H 72 4.243 4.243 4.277 -0.034 17952 8785 1 18 . 1 1 72 72 SER CA C 72 61.292 61.292 60.847 0.445 17952 8786 1 18 . 1 1 72 72 SER CB C 72 63.065 63.065 63.434 -0.368 17952 8787 1 18 . 1 1 72 72 SER H H 72 8.205 8.205 8.000 0.205 17952 8788 1 18 . 1 1 73 73 PHE N N 73 122.665 122.665 122.153 0.512 17952 8789 1 18 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.446 -1.337 17952 8790 1 18 . 1 1 73 73 PHE CB C 73 39.535 39.535 39.147 0.388 17952 8791 1 18 . 1 1 73 73 PHE H H 73 7.788 7.788 7.691 0.097 17952 8792 1 18 . 1 1 74 74 ARG N N 74 119.417 119.417 117.134 2.283 17952 8793 1 18 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.415 -0.518 17952 8794 1 18 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.263 1.938 17952 8795 1 18 . 1 1 74 74 ARG CB C 74 29.981 29.981 29.504 0.477 17952 8796 1 18 . 1 1 74 74 ARG H H 74 8.580 8.580 8.069 0.511 17952 8797 1 18 . 1 1 75 75 LEU N N 75 117.144 117.144 119.304 -2.160 17952 8798 1 18 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.498 -0.402 17952 8799 1 18 . 1 1 75 75 LEU CA C 75 57.217 57.217 55.612 1.605 17952 8800 1 18 . 1 1 75 75 LEU CB C 75 42.788 42.788 43.115 -0.327 17952 8801 1 18 . 1 1 75 75 LEU H H 75 7.903 7.903 7.426 0.477 17952 8802 1 18 . 1 1 76 76 ARG N N 76 113.888 113.888 120.149 -6.261 17952 8803 1 18 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.401 0.022 17952 8804 1 18 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.132 0.355 17952 8805 1 18 . 1 1 76 76 ARG CB C 76 31.867 31.867 28.430 3.437 17952 8806 1 18 . 1 1 76 76 ARG H H 76 6.736 6.736 8.411 -1.675 17952 8807 1 18 . 1 1 77 77 GLN N N 77 120.009 120.009 120.479 -0.470 17952 8808 1 18 . 1 1 77 77 GLN CA C 77 60.256 60.256 58.402 1.854 17952 8809 1 18 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.079 0.509 17952 8810 1 18 . 1 1 77 77 GLN H H 77 7.273 7.273 7.812 -0.539 17952 8811 1 18 . 1 1 78 78 HIS N N 78 114.954 114.954 116.771 -1.817 17952 8812 1 18 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.607 -0.162 17952 8813 1 18 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.427 0.373 17952 8814 1 18 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.404 -0.002 17952 8815 1 18 . 1 1 78 78 HIS H H 78 8.389 8.389 8.412 -0.023 17952 8816 1 18 . 1 1 79 79 GLU N N 79 118.231 118.231 117.316 0.915 17952 8817 1 18 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.658 -0.251 17952 8818 1 18 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.027 -0.635 17952 8819 1 18 . 1 1 79 79 GLU CB C 79 31.296 31.296 31.106 0.190 17952 8820 1 18 . 1 1 79 79 GLU H H 79 7.717 7.717 7.944 -0.227 17952 8821 1 18 . 1 1 80 80 LEU N N 80 119.751 119.751 121.009 -1.258 17952 8822 1 18 . 1 1 80 80 LEU HA H 80 4.554 4.554 5.028 -0.474 17952 8823 1 18 . 1 1 80 80 LEU H H 80 6.859 6.859 7.397 -0.538 17952 8824 1 18 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.434 0.137 17952 8825 1 18 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.698 -0.973 17952 8826 1 18 . 1 1 81 81 PRO CB C 81 32.332 32.332 31.751 0.581 17952 8827 1 18 . 1 1 82 82 ALA N N 82 122.525 122.525 129.190 -6.665 17952 8828 1 18 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.509 -0.751 17952 8829 1 18 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.531 -2.623 17952 8830 1 18 . 1 1 82 82 ALA H H 82 8.425 8.425 8.490 -0.065 17952 8831 1 18 . 1 1 83 83 MET N N 83 122.963 122.963 118.719 4.244 17952 8832 1 18 . 1 1 83 83 MET HA H 83 4.387 4.387 5.133 -0.746 17952 8833 1 18 . 1 1 83 83 MET CA C 83 54.002 54.002 54.641 -0.638 17952 8834 1 18 . 1 1 83 83 MET CB C 83 35.655 35.655 36.437 -0.782 17952 8835 1 18 . 1 1 83 83 MET H H 83 7.851 7.851 8.014 -0.163 17952 8836 1 18 . 1 1 84 84 ASP N N 84 121.733 121.733 121.751 -0.018 17952 8837 1 18 . 1 1 84 84 ASP HA H 84 4.752 4.752 5.136 -0.384 17952 8838 1 18 . 1 1 84 84 ASP CA C 84 53.638 53.638 55.604 -1.966 17952 8839 1 18 . 1 1 84 84 ASP CB C 84 41.990 41.990 40.786 1.204 17952 8840 1 18 . 1 1 84 84 ASP H H 84 8.393 8.393 8.689 -0.296 17952 8841 1 18 . 1 1 85 85 PHE N N 85 121.368 121.368 120.169 1.199 17952 8842 1 18 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.984 0.972 17952 8843 1 18 . 1 1 85 85 PHE CB C 85 42.080 42.080 41.702 0.378 17952 8844 1 18 . 1 1 85 85 PHE H H 85 8.849 8.849 8.277 0.572 17952 8845 1 18 . 1 1 86 86 VAL N N 86 120.431 120.431 120.216 0.215 17952 8846 1 18 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.640 -0.024 17952 8847 1 18 . 1 1 86 86 VAL CA C 86 60.874 60.874 59.682 1.192 17952 8848 1 18 . 1 1 86 86 VAL CB C 86 34.882 34.882 35.372 -0.490 17952 8849 1 18 . 1 1 86 86 VAL H H 86 9.407 9.407 8.493 0.914 17952 8850 1 18 . 1 1 87 87 VAL N N 87 127.860 127.860 129.866 -2.006 17952 8851 1 18 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.405 0.212 17952 8852 1 18 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.714 -0.294 17952 8853 1 18 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.675 -0.553 17952 8854 1 18 . 1 1 87 87 VAL H H 87 8.843 8.843 9.003 -0.160 17952 8855 1 18 . 1 1 88 88 VAL N N 88 128.150 128.150 128.813 -0.663 17952 8856 1 18 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.330 0.325 17952 8857 1 18 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.671 0.594 17952 8858 1 18 . 1 1 88 88 VAL CB C 88 33.439 33.439 31.631 1.808 17952 8859 1 18 . 1 1 88 88 VAL H H 88 9.538 9.538 9.196 0.342 17952 8860 1 18 . 1 1 89 89 ALA N N 89 128.337 128.337 132.783 -4.446 17952 8861 1 18 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.466 0.138 17952 8862 1 18 . 1 1 89 89 ALA CB C 89 20.871 20.871 19.721 1.150 17952 8863 1 18 . 1 1 89 89 ALA H H 89 8.170 8.170 8.292 -0.122 17952 8864 1 18 . 1 1 90 90 LYS N N 90 123.110 123.110 124.300 -1.190 17952 8865 1 18 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.522 -0.045 17952 8866 1 18 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.193 0.917 17952 8867 1 18 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.612 -0.157 17952 8868 1 18 . 1 1 90 90 LYS H H 90 8.231 8.231 8.336 -0.105 17952 8869 1 18 . 1 1 91 91 LYS N N 91 119.291 119.291 121.030 -1.739 17952 8870 1 18 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.309 -0.261 17952 8871 1 18 . 1 1 91 91 LYS CA C 91 59.171 59.171 56.287 2.884 17952 8872 1 18 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.067 0.152 17952 8873 1 18 . 1 1 91 91 LYS H H 91 8.162 8.162 8.646 -0.484 17952 8874 1 18 . 1 1 92 92 GLY N N 92 112.991 112.991 112.811 0.180 17952 8875 1 18 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.924 -0.788 17952 8876 1 18 . 1 1 92 92 GLY H H 92 8.783 8.783 8.318 0.465 17952 8877 1 18 . 1 1 93 93 VAL N N 93 122.937 122.937 121.662 1.275 17952 8878 1 18 . 1 1 93 93 VAL HA H 93 3.730 3.730 4.118 -0.388 17952 8879 1 18 . 1 1 93 93 VAL CA C 93 64.911 64.911 62.376 2.535 17952 8880 1 18 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.252 -1.254 17952 8881 1 18 . 1 1 93 93 VAL H H 93 8.363 8.363 8.292 0.071 17952 8882 1 18 . 1 1 94 94 ALA N N 94 119.882 119.882 120.735 -0.853 17952 8883 1 18 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.303 -0.207 17952 8884 1 18 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.375 -0.706 17952 8885 1 18 . 1 1 94 94 ALA H H 94 7.960 7.960 7.875 0.085 17952 8886 1 18 . 1 1 95 95 ASP N N 95 114.705 114.705 119.072 -4.367 17952 8887 1 18 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.803 -0.311 17952 8888 1 18 . 1 1 95 95 ASP CA C 95 54.861 54.861 54.503 0.358 17952 8889 1 18 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.553 -0.670 17952 8890 1 18 . 1 1 95 95 ASP H H 95 7.360 7.360 7.753 -0.393 17952 8891 1 18 . 1 1 96 96 LEU N N 96 120.424 120.424 123.547 -3.123 17952 8892 1 18 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.597 -0.139 17952 8893 1 18 . 1 1 96 96 LEU CA C 96 54.357 54.357 53.590 0.767 17952 8894 1 18 . 1 1 96 96 LEU CB C 96 42.433 42.433 45.766 -3.333 17952 8895 1 18 . 1 1 96 96 LEU H H 96 7.389 7.389 8.162 -0.773 17952 8896 1 18 . 1 1 97 97 ASP N N 97 123.018 123.018 120.694 2.324 17952 8897 1 18 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.703 -0.173 17952 8898 1 18 . 1 1 97 97 ASP CA C 97 52.835 52.835 54.221 -1.386 17952 8899 1 18 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.355 -1.853 17952 8900 1 18 . 1 1 97 97 ASP H H 97 8.473 8.473 8.364 0.109 17952 8901 1 18 . 1 1 98 98 ASN N N 98 117.692 117.692 119.957 -2.265 17952 8902 1 18 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.462 -0.326 17952 8903 1 18 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.170 0.695 17952 8904 1 18 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.780 -1.840 17952 8905 1 18 . 1 1 98 98 ASN H H 98 8.651 8.651 8.703 -0.052 17952 8906 1 18 . 1 1 99 99 ARG N N 99 120.819 120.819 119.469 1.350 17952 8907 1 18 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.242 -0.189 17952 8908 1 18 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.643 0.855 17952 8909 1 18 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.072 -0.755 17952 8910 1 18 . 1 1 99 99 ARG H H 99 8.191 8.191 8.479 -0.288 17952 8911 1 18 . 1 1 100 100 ALA N N 100 122.928 122.928 121.941 0.987 17952 8912 1 18 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.177 -0.026 17952 8913 1 18 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.890 0.159 17952 8914 1 18 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.165 0.832 17952 8915 1 18 . 1 1 100 100 ALA H H 100 8.524 8.524 8.172 0.352 17952 8916 1 18 . 1 1 101 101 LEU N N 101 120.795 120.795 114.223 6.572 17952 8917 1 18 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.257 -0.159 17952 8918 1 18 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.269 0.966 17952 8919 1 18 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.164 0.345 17952 8920 1 18 . 1 1 101 101 LEU H H 101 8.961 8.961 8.317 0.644 17952 8921 1 18 . 1 1 102 102 SER N N 102 115.314 115.314 115.685 -0.371 17952 8922 1 18 . 1 1 102 102 SER HA H 102 4.123 4.123 4.236 -0.113 17952 8923 1 18 . 1 1 102 102 SER CB C 102 62.761 62.761 63.133 -0.372 17952 8924 1 18 . 1 1 102 102 SER H H 102 8.459 8.459 7.646 0.813 17952 8925 1 18 . 1 1 103 103 GLU N N 103 122.468 122.468 120.858 1.610 17952 8926 1 18 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.195 -0.065 17952 8927 1 18 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.577 0.891 17952 8928 1 18 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.363 0.165 17952 8929 1 18 . 1 1 103 103 GLU H H 103 8.492 8.492 8.431 0.061 17952 8930 1 18 . 1 1 104 104 ALA N N 104 123.159 123.159 122.168 0.991 17952 8931 1 18 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.090 0.000 17952 8932 1 18 . 1 1 104 104 ALA CA C 104 55.242 55.242 55.017 0.225 17952 8933 1 18 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.466 -0.639 17952 8934 1 18 . 1 1 104 104 ALA H H 104 8.074 8.074 8.021 0.053 17952 8935 1 18 . 1 1 105 105 LEU N N 105 116.602 116.602 118.878 -2.276 17952 8936 1 18 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.122 -0.570 17952 8937 1 18 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.804 0.600 17952 8938 1 18 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.890 -0.271 17952 8939 1 18 . 1 1 105 105 LEU H H 105 8.318 8.318 7.487 0.831 17952 8940 1 18 . 1 1 106 106 GLU N N 106 117.564 117.564 118.773 -1.209 17952 8941 1 18 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.293 -0.061 17952 8942 1 18 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.339 1.077 17952 8943 1 18 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.777 0.148 17952 8944 1 18 . 1 1 106 106 GLU H H 106 8.009 8.009 7.797 0.212 17952 8945 1 18 . 1 1 107 107 LYS N N 107 117.286 117.286 119.967 -2.681 17952 8946 1 18 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.152 -0.178 17952 8947 1 18 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.382 1.525 17952 8948 1 18 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.658 0.723 17952 8949 1 18 . 1 1 107 107 LYS H H 107 7.787 7.787 7.814 -0.027 17952 8950 1 18 . 1 1 108 108 LEU N N 108 120.504 120.504 120.110 0.394 17952 8951 1 18 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.089 -0.110 17952 8952 1 18 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.863 -0.046 17952 8953 1 18 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.720 0.580 17952 8954 1 18 . 1 1 108 108 LEU H H 108 7.875 7.875 7.392 0.483 17952 8955 1 18 . 1 1 109 109 TRP N N 109 120.547 120.547 120.898 -0.351 17952 8956 1 18 . 1 1 109 109 TRP CA C 109 59.887 59.887 61.680 -1.793 17952 8957 1 18 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.110 1.653 17952 8958 1 18 . 1 1 109 109 TRP H H 109 9.048 9.048 8.637 0.411 17952 8959 1 18 . 1 1 110 110 ARG N N 110 117.678 117.678 118.660 -0.982 17952 8960 1 18 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.181 0.893 17952 8961 1 18 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.194 1.049 17952 8962 1 18 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.965 -0.324 17952 8963 1 18 . 1 1 110 110 ARG H H 110 8.425 8.425 8.255 0.170 17952 8964 1 18 . 1 1 111 111 ARG N N 111 121.156 121.156 118.413 2.743 17952 8965 1 18 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.130 0.045 17952 8966 1 18 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.003 1.065 17952 8967 1 18 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.740 -0.670 17952 8968 1 18 . 1 1 111 111 ARG H H 111 8.100 8.100 7.545 0.555 17952 8969 1 18 . 1 1 112 112 HIS N N 112 118.118 118.118 120.223 -2.105 17952 8970 1 18 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.306 -0.003 17952 8971 1 18 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.828 1.707 17952 8972 1 18 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.374 1.543 17952 8973 1 18 . 1 1 112 112 HIS H H 112 8.250 8.250 8.407 -0.157 17952 8974 1 18 . 1 1 113 113 CYS N N 113 117.579 117.579 117.860 -0.281 17952 8975 1 18 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.985 0.279 17952 8976 1 18 . 1 1 113 113 CYS CA C 113 64.136 64.136 62.684 1.452 17952 8977 1 18 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.240 -0.455 17952 8978 1 18 . 1 1 113 113 CYS H H 113 8.181 8.181 8.701 -0.520 17952 8979 1 18 . 1 1 114 114 ARG N N 114 120.172 120.172 118.891 1.281 17952 8980 1 18 . 1 1 114 114 ARG HA H 114 4.147 4.147 3.965 0.182 17952 8981 1 18 . 1 1 114 114 ARG CA C 114 59.050 59.050 58.546 0.504 17952 8982 1 18 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.377 0.441 17952 8983 1 18 . 1 1 114 114 ARG H H 114 7.870 7.870 7.267 0.603 17952 8984 1 18 . 1 1 115 115 LEU N N 115 120.720 120.720 119.752 0.968 17952 8985 1 18 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.120 -0.003 17952 8986 1 18 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.901 0.461 17952 8987 1 18 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.747 0.155 17952 8988 1 18 . 1 1 115 115 LEU H H 115 8.690 8.690 7.762 0.928 17952 8989 1 18 . 1 1 116 116 ALA N N 116 119.118 119.118 119.795 -0.677 17952 8990 1 18 . 1 1 116 116 ALA HA H 116 4.367 4.367 3.977 0.390 17952 8991 1 18 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.598 0.490 17952 8992 1 18 . 1 1 116 116 ALA H H 116 7.751 7.751 7.839 -0.088 17952 8993 1 18 . 1 1 117 117 ARG N N 117 117.010 117.010 116.674 0.336 17952 8994 1 18 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.340 0.048 17952 8995 1 18 . 1 1 117 117 ARG CA C 117 57.046 57.046 57.132 -0.086 17952 8996 1 18 . 1 1 117 117 ARG CB C 117 30.858 30.858 31.362 -0.504 17952 8997 1 18 . 1 1 117 117 ARG H H 117 7.602 7.602 7.851 -0.249 17952 8998 1 18 . 1 1 118 118 GLY N N 118 108.836 108.836 105.191 3.645 17952 8999 1 18 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.912 -0.346 17952 9000 1 18 . 1 1 118 118 GLY H H 118 8.087 8.087 8.291 -0.204 17952 9001 1 19 . 1 1 3 3 LYS CA C 3 56.191 56.191 56.532 -0.341 17952 9002 1 19 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.889 -0.923 17952 9003 1 19 . 1 1 4 4 LEU N N 4 125.667 125.667 121.526 4.141 17952 9004 1 19 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.631 -0.244 17952 9005 1 19 . 1 1 4 4 LEU CA C 4 54.667 54.667 53.976 0.691 17952 9006 1 19 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.788 0.829 17952 9007 1 19 . 1 1 4 4 LEU H H 4 8.498 8.498 8.229 0.269 17952 9008 1 19 . 1 1 5 5 ALA N N 5 126.419 126.419 129.321 -2.902 17952 9009 1 19 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.343 0.028 17952 9010 1 19 . 1 1 5 5 ALA CB C 5 19.337 19.337 17.912 1.425 17952 9011 1 19 . 1 1 5 5 ALA H H 5 8.435 8.435 8.602 -0.167 17952 9012 1 19 . 1 1 6 6 PHE N N 6 124.718 124.718 122.406 2.312 17952 9013 1 19 . 1 1 6 6 PHE H H 6 8.714 8.714 7.350 1.364 17952 9014 1 19 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.492 -0.256 17952 9015 1 19 . 1 1 7 7 PRO CA C 7 63.736 63.736 63.266 0.470 17952 9016 1 19 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.788 0.614 17952 9017 1 19 . 1 1 8 8 ARG N N 8 124.351 124.351 125.842 -1.491 17952 9018 1 19 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.397 -0.613 17952 9019 1 19 . 1 1 8 8 ARG CA C 8 59.972 59.972 58.127 1.845 17952 9020 1 19 . 1 1 8 8 ARG CB C 8 30.256 30.256 30.059 0.197 17952 9021 1 19 . 1 1 8 8 ARG H H 8 8.650 8.650 8.438 0.212 17952 9022 1 19 . 1 1 9 9 GLU N N 9 117.015 117.015 119.318 -2.303 17952 9023 1 19 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.212 0.029 17952 9024 1 19 . 1 1 9 9 GLU CA C 9 58.536 58.536 58.180 0.356 17952 9025 1 19 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.089 -0.803 17952 9026 1 19 . 1 1 9 9 GLU H H 9 9.522 9.522 8.711 0.811 17952 9027 1 19 . 1 1 10 10 LEU N N 10 116.269 116.269 118.368 -2.099 17952 9028 1 19 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.438 0.244 17952 9029 1 19 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.376 -1.052 17952 9030 1 19 . 1 1 10 10 LEU CB C 10 42.305 42.305 43.540 -1.235 17952 9031 1 19 . 1 1 10 10 LEU H H 10 7.285 7.285 7.398 -0.113 17952 9032 1 19 . 1 1 11 11 ARG N N 11 116.982 116.982 118.155 -1.173 17952 9033 1 19 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.697 0.348 17952 9034 1 19 . 1 1 11 11 ARG CA C 11 55.671 55.671 54.938 0.733 17952 9035 1 19 . 1 1 11 11 ARG CB C 11 32.827 32.827 33.184 -0.357 17952 9036 1 19 . 1 1 11 11 ARG H H 11 7.618 7.618 8.174 -0.556 17952 9037 1 19 . 1 1 12 12 LEU N N 12 119.127 119.127 123.184 -4.057 17952 9038 1 19 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.539 -0.210 17952 9039 1 19 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.454 -0.339 17952 9040 1 19 . 1 1 12 12 LEU CB C 12 41.683 41.683 43.024 -1.341 17952 9041 1 19 . 1 1 12 12 LEU H H 12 7.289 7.289 8.651 -1.362 17952 9042 1 19 . 1 1 13 13 LEU N N 13 123.181 123.181 122.404 0.777 17952 9043 1 19 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.801 -0.054 17952 9044 1 19 . 1 1 13 13 LEU CA C 13 56.190 56.190 55.544 0.646 17952 9045 1 19 . 1 1 13 13 LEU CB C 13 46.234 46.234 41.708 4.527 17952 9046 1 19 . 1 1 13 13 LEU H H 13 8.816 8.816 8.595 0.221 17952 9047 1 19 . 1 1 14 14 THR N N 14 111.810 111.810 117.992 -6.182 17952 9048 1 19 . 1 1 14 14 THR HA H 14 5.104 5.104 4.903 0.201 17952 9049 1 19 . 1 1 14 14 THR H H 14 8.321 8.321 8.317 0.004 17952 9050 1 19 . 1 1 16 16 SER HA H 16 4.282 4.282 4.397 -0.115 17952 9051 1 19 . 1 1 16 16 SER CB C 16 62.228 62.228 63.769 -1.541 17952 9052 1 19 . 1 1 17 17 GLN N N 17 122.336 122.336 124.544 -2.208 17952 9053 1 19 . 1 1 17 17 GLN HA H 17 4.078 4.078 3.992 0.086 17952 9054 1 19 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.976 -0.854 17952 9055 1 19 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.405 0.698 17952 9056 1 19 . 1 1 17 17 GLN H H 17 7.967 7.967 8.910 -0.943 17952 9057 1 19 . 1 1 18 18 PHE N N 18 119.658 119.658 114.968 4.690 17952 9058 1 19 . 1 1 18 18 PHE CA C 18 61.640 61.640 59.342 2.299 17952 9059 1 19 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.440 0.050 17952 9060 1 19 . 1 1 18 18 PHE H H 18 7.733 7.733 8.124 -0.391 17952 9061 1 19 . 1 1 19 19 THR N N 19 116.141 116.141 114.656 1.485 17952 9062 1 19 . 1 1 19 19 THR HA H 19 3.911 3.911 4.419 -0.508 17952 9063 1 19 . 1 1 19 19 THR CA C 19 67.058 67.058 63.063 3.995 17952 9064 1 19 . 1 1 19 19 THR CB C 19 68.790 68.790 70.570 -1.780 17952 9065 1 19 . 1 1 19 19 THR H H 19 8.622 8.622 7.954 0.668 17952 9066 1 19 . 1 1 20 20 PHE N N 20 119.904 119.904 125.399 -5.495 17952 9067 1 19 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.252 -0.103 17952 9068 1 19 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.386 -0.127 17952 9069 1 19 . 1 1 20 20 PHE H H 20 7.728 7.728 9.006 -1.278 17952 9070 1 19 . 1 1 21 21 VAL N N 21 117.896 117.896 116.096 1.800 17952 9071 1 19 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.836 -0.754 17952 9072 1 19 . 1 1 21 21 VAL CA C 21 66.336 66.336 61.288 5.048 17952 9073 1 19 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.618 -0.029 17952 9074 1 19 . 1 1 21 21 VAL H H 21 6.861 6.861 7.700 -0.839 17952 9075 1 19 . 1 1 22 22 PHE N N 22 114.352 114.352 119.143 -4.791 17952 9076 1 19 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.504 -0.493 17952 9077 1 19 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.969 -0.384 17952 9078 1 19 . 1 1 22 22 PHE H H 22 7.653 7.653 7.491 0.162 17952 9079 1 19 . 1 1 23 23 GLN N N 23 116.245 116.245 118.828 -2.583 17952 9080 1 19 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.013 0.020 17952 9081 1 19 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.401 1.014 17952 9082 1 19 . 1 1 23 23 GLN CB C 23 28.950 28.950 28.474 0.476 17952 9083 1 19 . 1 1 23 23 GLN H H 23 7.928 7.928 8.226 -0.298 17952 9084 1 19 . 1 1 24 24 GLN N N 24 114.087 114.087 117.258 -3.171 17952 9085 1 19 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.702 -0.277 17952 9086 1 19 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.163 1.528 17952 9087 1 19 . 1 1 24 24 GLN CB C 24 29.457 29.457 29.917 -0.460 17952 9088 1 19 . 1 1 24 24 GLN H H 24 6.731 6.731 8.164 -1.433 17952 9089 1 19 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.408 0.620 17952 9090 1 19 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.510 0.669 17952 9091 1 19 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.450 0.127 17952 9092 1 19 . 1 1 26 26 GLN N N 26 120.107 120.107 123.331 -3.224 17952 9093 1 19 . 1 1 26 26 GLN CA C 26 55.279 55.279 55.293 -0.014 17952 9094 1 19 . 1 1 26 26 GLN CB C 26 30.556 30.556 28.250 2.306 17952 9095 1 19 . 1 1 26 26 GLN H H 26 9.622 9.622 8.180 1.442 17952 9096 1 19 . 1 1 27 27 ARG N N 27 125.712 125.712 127.635 -1.923 17952 9097 1 19 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.208 1.012 17952 9098 1 19 . 1 1 27 27 ARG CA C 27 56.125 56.125 56.005 0.120 17952 9099 1 19 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.156 5.485 17952 9100 1 19 . 1 1 27 27 ARG H H 27 9.068 9.068 8.601 0.467 17952 9101 1 19 . 1 1 28 28 ALA N N 28 123.402 123.402 128.429 -5.027 17952 9102 1 19 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.781 -0.267 17952 9103 1 19 . 1 1 28 28 ALA CB C 28 21.919 21.919 22.007 -0.088 17952 9104 1 19 . 1 1 28 28 ALA H H 28 8.102 8.102 8.941 -0.839 17952 9105 1 19 . 1 1 29 29 GLY N N 29 109.532 109.532 106.537 2.995 17952 9106 1 19 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.336 1.548 17952 9107 1 19 . 1 1 29 29 GLY H H 29 8.572 8.572 8.425 0.147 17952 9108 1 19 . 1 1 30 30 THR N N 30 113.168 113.168 112.090 1.078 17952 9109 1 19 . 1 1 30 30 THR HA H 30 4.953 4.953 5.004 -0.051 17952 9110 1 19 . 1 1 30 30 THR H H 30 9.199 9.199 8.434 0.765 17952 9111 1 19 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.456 -0.159 17952 9112 1 19 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.950 0.561 17952 9113 1 19 . 1 1 31 31 PRO CB C 31 30.983 30.983 31.898 -0.915 17952 9114 1 19 . 1 1 32 32 GLN N N 32 110.281 110.281 115.967 -5.686 17952 9115 1 19 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.248 -0.053 17952 9116 1 19 . 1 1 32 32 GLN CA C 32 58.478 58.478 58.180 0.298 17952 9117 1 19 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.434 -0.438 17952 9118 1 19 . 1 1 32 32 GLN H H 32 7.403 7.403 8.201 -0.798 17952 9119 1 19 . 1 1 33 33 ILE N N 33 118.254 118.254 118.499 -0.245 17952 9120 1 19 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.785 0.455 17952 9121 1 19 . 1 1 33 33 ILE CB C 33 42.791 42.791 40.415 2.376 17952 9122 1 19 . 1 1 33 33 ILE H H 33 7.353 7.353 7.906 -0.553 17952 9123 1 19 . 1 1 34 34 THR N N 34 122.650 122.650 126.535 -3.885 17952 9124 1 19 . 1 1 34 34 THR HA H 34 4.946 4.946 5.048 -0.102 17952 9125 1 19 . 1 1 34 34 THR CA C 34 61.792 61.792 61.972 -0.180 17952 9126 1 19 . 1 1 34 34 THR CB C 34 71.752 71.752 70.193 1.559 17952 9127 1 19 . 1 1 34 34 THR H H 34 8.787 8.787 9.128 -0.341 17952 9128 1 19 . 1 1 35 35 ILE N N 35 123.778 123.778 127.304 -3.526 17952 9129 1 19 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.569 0.592 17952 9130 1 19 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.490 1.223 17952 9131 1 19 . 1 1 35 35 ILE CB C 35 40.043 40.043 39.409 0.634 17952 9132 1 19 . 1 1 35 35 ILE H H 35 9.109 9.109 8.875 0.234 17952 9133 1 19 . 1 1 36 36 LEU N N 36 132.558 132.558 128.291 4.267 17952 9134 1 19 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.355 0.279 17952 9135 1 19 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.428 -0.184 17952 9136 1 19 . 1 1 36 36 LEU CB C 36 44.498 44.498 43.562 0.936 17952 9137 1 19 . 1 1 36 36 LEU H H 36 9.500 9.500 9.094 0.406 17952 9138 1 19 . 1 1 37 37 GLY N N 37 106.940 106.940 110.455 -3.515 17952 9139 1 19 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.891 0.367 17952 9140 1 19 . 1 1 37 37 GLY H H 37 9.058 9.058 8.160 0.898 17952 9141 1 19 . 1 1 38 38 ARG N N 38 121.378 121.378 124.938 -3.560 17952 9142 1 19 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.328 0.324 17952 9143 1 19 . 1 1 38 38 ARG CA C 38 56.285 56.285 56.216 0.069 17952 9144 1 19 . 1 1 38 38 ARG CB C 38 35.176 35.176 30.402 4.774 17952 9145 1 19 . 1 1 38 38 ARG H H 38 8.384 8.384 8.514 -0.130 17952 9146 1 19 . 1 1 39 39 LEU N N 39 129.596 129.596 122.841 6.755 17952 9147 1 19 . 1 1 39 39 LEU CB C 39 42.472 42.472 45.888 -3.416 17952 9148 1 19 . 1 1 39 39 LEU H H 39 9.030 9.030 7.495 1.535 17952 9149 1 19 . 1 1 40 40 ASN N N 40 119.921 119.921 115.732 4.189 17952 9150 1 19 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.307 -0.761 17952 9151 1 19 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.120 -0.032 17952 9152 1 19 . 1 1 40 40 ASN H H 40 8.186 8.186 8.195 -0.009 17952 9153 1 19 . 1 1 41 41 SER N N 41 112.600 112.600 111.510 1.090 17952 9154 1 19 . 1 1 41 41 SER HA H 41 4.484 4.484 4.204 0.280 17952 9155 1 19 . 1 1 41 41 SER CB C 41 62.949 62.949 62.264 0.685 17952 9156 1 19 . 1 1 41 41 SER H H 41 8.646 8.646 8.705 -0.059 17952 9157 1 19 . 1 1 42 42 LEU N N 42 120.612 120.612 121.157 -0.545 17952 9158 1 19 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.374 -0.040 17952 9159 1 19 . 1 1 42 42 LEU CA C 42 54.828 54.828 56.009 -1.181 17952 9160 1 19 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.522 1.191 17952 9161 1 19 . 1 1 42 42 LEU H H 42 8.538 8.538 7.846 0.692 17952 9162 1 19 . 1 1 43 43 GLY N N 43 105.922 105.922 105.726 0.196 17952 9163 1 19 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.608 -0.338 17952 9164 1 19 . 1 1 43 43 GLY H H 43 8.317 8.317 8.238 0.079 17952 9165 1 19 . 1 1 44 44 HIS N N 44 114.144 114.144 119.705 -5.561 17952 9166 1 19 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.904 0.161 17952 9167 1 19 . 1 1 44 44 HIS H H 44 7.145 7.145 8.046 -0.901 17952 9168 1 19 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.660 0.743 17952 9169 1 19 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.727 -0.167 17952 9170 1 19 . 1 1 45 45 PRO CB C 45 33.097 33.097 32.917 0.180 17952 9171 1 19 . 1 1 46 46 ARG N N 46 116.294 116.294 123.236 -6.942 17952 9172 1 19 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.736 0.420 17952 9173 1 19 . 1 1 46 46 ARG CA C 46 56.154 56.154 53.935 2.219 17952 9174 1 19 . 1 1 46 46 ARG CB C 46 37.970 37.970 32.655 5.315 17952 9175 1 19 . 1 1 46 46 ARG H H 46 8.919 8.919 9.424 -0.505 17952 9176 1 19 . 1 1 47 47 ILE N N 47 117.069 117.069 120.855 -3.786 17952 9177 1 19 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.148 1.536 17952 9178 1 19 . 1 1 47 47 ILE CA C 47 58.820 58.820 59.751 -0.931 17952 9179 1 19 . 1 1 47 47 ILE CB C 47 41.712 41.712 38.332 3.380 17952 9180 1 19 . 1 1 47 47 ILE H H 47 9.106 9.106 8.281 0.825 17952 9181 1 19 . 1 1 48 48 GLY N N 48 116.903 116.903 117.630 -0.727 17952 9182 1 19 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.461 0.068 17952 9183 1 19 . 1 1 48 48 GLY H H 48 9.276 9.276 9.147 0.129 17952 9184 1 19 . 1 1 49 49 LEU N N 49 123.729 123.729 125.991 -2.262 17952 9185 1 19 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.889 0.552 17952 9186 1 19 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.589 -0.227 17952 9187 1 19 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.273 3.272 17952 9188 1 19 . 1 1 49 49 LEU H H 49 8.957 8.957 7.792 1.165 17952 9189 1 19 . 1 1 50 50 THR N N 50 120.870 120.870 125.783 -4.913 17952 9190 1 19 . 1 1 50 50 THR HA H 50 4.616 4.616 4.685 -0.069 17952 9191 1 19 . 1 1 50 50 THR H H 50 9.419 9.419 9.311 0.108 17952 9192 1 19 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.484 -0.128 17952 9193 1 19 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.525 -0.415 17952 9194 1 19 . 1 1 51 51 VAL CB C 51 32.291 32.291 34.384 -2.093 17952 9195 1 19 . 1 1 52 52 ALA N N 52 129.415 129.415 131.601 -2.186 17952 9196 1 19 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.904 -1.593 17952 9197 1 19 . 1 1 52 52 ALA H H 52 9.046 9.046 8.879 0.167 17952 9198 1 19 . 1 1 53 53 LYS N N 53 125.023 125.023 117.659 7.364 17952 9199 1 19 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.191 -0.102 17952 9200 1 19 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.011 0.724 17952 9201 1 19 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.348 -0.252 17952 9202 1 19 . 1 1 53 53 LYS H H 53 8.811 8.811 8.563 0.248 17952 9203 1 19 . 1 1 54 54 LYS N N 54 114.126 114.126 113.951 0.175 17952 9204 1 19 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.477 -0.436 17952 9205 1 19 . 1 1 54 54 LYS CA C 54 57.953 57.953 56.889 1.064 17952 9206 1 19 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.412 -0.482 17952 9207 1 19 . 1 1 54 54 LYS H H 54 8.073 8.073 8.035 0.038 17952 9208 1 19 . 1 1 55 55 ASN N N 55 115.234 115.234 119.016 -3.782 17952 9209 1 19 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.919 -0.061 17952 9210 1 19 . 1 1 55 55 ASN CA C 55 53.777 53.777 55.673 -1.896 17952 9211 1 19 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.917 -1.388 17952 9212 1 19 . 1 1 55 55 ASN H H 55 7.434 7.434 8.142 -0.708 17952 9213 1 19 . 1 1 56 56 VAL N N 56 121.000 121.000 117.959 3.041 17952 9214 1 19 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.359 -0.186 17952 9215 1 19 . 1 1 56 56 VAL CA C 56 61.761 61.761 60.552 1.209 17952 9216 1 19 . 1 1 56 56 VAL CB C 56 33.033 33.033 34.920 -1.887 17952 9217 1 19 . 1 1 56 56 VAL H H 56 7.764 7.764 7.724 0.040 17952 9218 1 19 . 1 1 57 57 ARG N N 57 125.781 125.781 125.847 -0.066 17952 9219 1 19 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.448 -0.248 17952 9220 1 19 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.850 1.796 17952 9221 1 19 . 1 1 57 57 ARG CB C 57 31.004 31.004 32.007 -1.003 17952 9222 1 19 . 1 1 57 57 ARG H H 57 8.441 8.441 8.248 0.193 17952 9223 1 19 . 1 1 58 58 ARG N N 58 118.159 118.159 119.180 -1.021 17952 9224 1 19 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.560 0.034 17952 9225 1 19 . 1 1 58 58 ARG H H 58 8.250 8.250 8.833 -0.583 17952 9226 1 19 . 1 1 60 60 HIS N N 60 116.957 116.957 117.593 -0.636 17952 9227 1 19 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.296 0.139 17952 9228 1 19 . 1 1 60 60 HIS CA C 60 59.605 59.605 60.385 -0.779 17952 9229 1 19 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.464 0.483 17952 9230 1 19 . 1 1 60 60 HIS H H 60 7.600 7.600 8.807 -1.207 17952 9231 1 19 . 1 1 61 61 GLU N N 61 119.542 119.542 119.057 0.485 17952 9232 1 19 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.011 0.418 17952 9233 1 19 . 1 1 61 61 GLU CA C 61 57.628 57.628 59.572 -1.944 17952 9234 1 19 . 1 1 61 61 GLU CB C 61 29.805 29.805 29.180 0.625 17952 9235 1 19 . 1 1 61 61 GLU H H 61 6.702 6.702 8.784 -2.082 17952 9236 1 19 . 1 1 62 62 ARG N N 62 120.227 120.227 119.853 0.374 17952 9237 1 19 . 1 1 62 62 ARG HA H 62 3.733 3.733 3.947 -0.214 17952 9238 1 19 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.876 1.655 17952 9239 1 19 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.295 -0.683 17952 9240 1 19 . 1 1 62 62 ARG H H 62 7.951 7.951 7.901 0.050 17952 9241 1 19 . 1 1 63 63 ASN N N 63 116.757 116.757 117.460 -0.703 17952 9242 1 19 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.483 -0.049 17952 9243 1 19 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.692 0.516 17952 9244 1 19 . 1 1 63 63 ASN CB C 63 37.825 37.825 37.840 -0.015 17952 9245 1 19 . 1 1 63 63 ASN H H 63 8.365 8.365 8.328 0.037 17952 9246 1 19 . 1 1 64 64 ARG N N 64 123.093 123.093 121.588 1.505 17952 9247 1 19 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.138 -0.082 17952 9248 1 19 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.893 1.245 17952 9249 1 19 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.796 1.036 17952 9250 1 19 . 1 1 64 64 ARG H H 64 7.770 7.770 8.116 -0.346 17952 9251 1 19 . 1 1 65 65 ILE N N 65 117.911 117.911 119.242 -1.331 17952 9252 1 19 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.864 -0.339 17952 9253 1 19 . 1 1 65 65 ILE CA C 65 64.715 64.715 62.821 1.894 17952 9254 1 19 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.523 1.122 17952 9255 1 19 . 1 1 65 65 ILE H H 65 8.121 8.121 7.748 0.373 17952 9256 1 19 . 1 1 66 66 LYS N N 66 122.635 122.635 121.429 1.206 17952 9257 1 19 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.063 -0.292 17952 9258 1 19 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.543 1.392 17952 9259 1 19 . 1 1 66 66 LYS CB C 66 32.424 32.424 31.998 0.426 17952 9260 1 19 . 1 1 66 66 LYS H H 66 8.337 8.337 8.076 0.261 17952 9261 1 19 . 1 1 67 67 ARG N N 67 119.137 119.137 118.214 0.923 17952 9262 1 19 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.199 -0.191 17952 9263 1 19 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.480 1.509 17952 9264 1 19 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.286 -0.251 17952 9265 1 19 . 1 1 67 67 ARG H H 67 8.257 8.257 7.829 0.428 17952 9266 1 19 . 1 1 68 68 LEU N N 68 119.084 119.084 121.525 -2.441 17952 9267 1 19 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.135 -0.027 17952 9268 1 19 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.341 -0.319 17952 9269 1 19 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.518 0.084 17952 9270 1 19 . 1 1 68 68 LEU H H 68 8.427 8.427 7.687 0.740 17952 9271 1 19 . 1 1 69 69 THR N N 69 118.019 118.019 111.844 6.175 17952 9272 1 19 . 1 1 69 69 THR CA C 69 67.701 67.701 65.723 1.978 17952 9273 1 19 . 1 1 69 69 THR H H 69 8.433 8.433 8.190 0.243 17952 9274 1 19 . 1 1 70 70 ARG N N 70 122.713 122.713 121.869 0.844 17952 9275 1 19 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.493 1.917 17952 9276 1 19 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.055 -0.005 17952 9277 1 19 . 1 1 70 70 ARG H H 70 8.346 8.346 7.823 0.523 17952 9278 1 19 . 1 1 71 71 GLU N N 71 118.890 118.890 118.388 0.502 17952 9279 1 19 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.115 0.151 17952 9280 1 19 . 1 1 71 71 GLU CA C 71 59.481 59.481 59.461 0.021 17952 9281 1 19 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.483 -0.167 17952 9282 1 19 . 1 1 71 71 GLU H H 71 8.334 8.334 7.964 0.370 17952 9283 1 19 . 1 1 72 72 SER N N 72 114.922 114.922 116.613 -1.691 17952 9284 1 19 . 1 1 72 72 SER HA H 72 4.243 4.243 4.188 0.055 17952 9285 1 19 . 1 1 72 72 SER CA C 72 61.292 61.292 61.262 0.030 17952 9286 1 19 . 1 1 72 72 SER CB C 72 63.065 63.065 62.327 0.738 17952 9287 1 19 . 1 1 72 72 SER H H 72 8.205 8.205 7.874 0.331 17952 9288 1 19 . 1 1 73 73 PHE N N 73 122.665 122.665 121.527 1.138 17952 9289 1 19 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.344 -1.235 17952 9290 1 19 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.730 0.805 17952 9291 1 19 . 1 1 73 73 PHE H H 73 7.788 7.788 7.854 -0.066 17952 9292 1 19 . 1 1 74 74 ARG N N 74 119.417 119.417 118.497 0.920 17952 9293 1 19 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.355 -0.458 17952 9294 1 19 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.499 1.702 17952 9295 1 19 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.664 -0.683 17952 9296 1 19 . 1 1 74 74 ARG H H 74 8.580 8.580 7.714 0.866 17952 9297 1 19 . 1 1 75 75 LEU N N 75 117.144 117.144 119.358 -2.214 17952 9298 1 19 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.506 -0.410 17952 9299 1 19 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.382 0.835 17952 9300 1 19 . 1 1 75 75 LEU CB C 75 42.788 42.788 44.074 -1.286 17952 9301 1 19 . 1 1 75 75 LEU H H 75 7.903 7.903 7.550 0.353 17952 9302 1 19 . 1 1 76 76 ARG N N 76 113.888 113.888 120.067 -6.179 17952 9303 1 19 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.573 -0.150 17952 9304 1 19 . 1 1 76 76 ARG CA C 76 54.487 54.487 55.549 -1.062 17952 9305 1 19 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.108 2.759 17952 9306 1 19 . 1 1 76 76 ARG H H 76 6.736 6.736 8.407 -1.671 17952 9307 1 19 . 1 1 77 77 GLN N N 77 120.009 120.009 118.850 1.159 17952 9308 1 19 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.853 2.403 17952 9309 1 19 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.555 0.033 17952 9310 1 19 . 1 1 77 77 GLN H H 77 7.273 7.273 7.858 -0.585 17952 9311 1 19 . 1 1 78 78 HIS N N 78 114.954 114.954 119.162 -4.208 17952 9312 1 19 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.519 -0.074 17952 9313 1 19 . 1 1 78 78 HIS CA C 78 57.800 57.800 58.481 -0.681 17952 9314 1 19 . 1 1 78 78 HIS CB C 78 29.402 29.402 29.909 -0.507 17952 9315 1 19 . 1 1 78 78 HIS H H 78 8.389 8.389 8.465 -0.076 17952 9316 1 19 . 1 1 79 79 GLU N N 79 118.231 118.231 117.815 0.416 17952 9317 1 19 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.494 -0.087 17952 9318 1 19 . 1 1 79 79 GLU CA C 79 55.392 55.392 55.746 -0.354 17952 9319 1 19 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.169 2.127 17952 9320 1 19 . 1 1 79 79 GLU H H 79 7.717 7.717 8.500 -0.783 17952 9321 1 19 . 1 1 80 80 LEU N N 80 119.751 119.751 117.066 2.685 17952 9322 1 19 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.784 -0.230 17952 9323 1 19 . 1 1 80 80 LEU H H 80 6.859 6.859 7.254 -0.395 17952 9324 1 19 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.603 -0.032 17952 9325 1 19 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.064 -0.339 17952 9326 1 19 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.778 -0.446 17952 9327 1 19 . 1 1 82 82 ALA N N 82 122.525 122.525 123.419 -0.894 17952 9328 1 19 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.359 -0.601 17952 9329 1 19 . 1 1 82 82 ALA CB C 82 15.908 15.908 16.703 -0.795 17952 9330 1 19 . 1 1 82 82 ALA H H 82 8.425 8.425 8.560 -0.135 17952 9331 1 19 . 1 1 83 83 MET N N 83 122.963 122.963 117.645 5.318 17952 9332 1 19 . 1 1 83 83 MET HA H 83 4.387 4.387 4.833 -0.446 17952 9333 1 19 . 1 1 83 83 MET CA C 83 54.002 54.002 54.333 -0.331 17952 9334 1 19 . 1 1 83 83 MET CB C 83 35.655 35.655 34.994 0.661 17952 9335 1 19 . 1 1 83 83 MET H H 83 7.851 7.851 8.049 -0.198 17952 9336 1 19 . 1 1 84 84 ASP N N 84 121.733 121.733 119.444 2.289 17952 9337 1 19 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.686 0.066 17952 9338 1 19 . 1 1 84 84 ASP CA C 84 53.638 53.638 53.539 0.099 17952 9339 1 19 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.343 -0.353 17952 9340 1 19 . 1 1 84 84 ASP H H 84 8.393 8.393 8.204 0.189 17952 9341 1 19 . 1 1 85 85 PHE N N 85 121.368 121.368 119.998 1.370 17952 9342 1 19 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.717 1.239 17952 9343 1 19 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.424 -0.344 17952 9344 1 19 . 1 1 85 85 PHE H H 85 8.849 8.849 8.049 0.800 17952 9345 1 19 . 1 1 86 86 VAL N N 86 120.431 120.431 124.168 -3.737 17952 9346 1 19 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.483 0.133 17952 9347 1 19 . 1 1 86 86 VAL CA C 86 60.874 60.874 61.114 -0.240 17952 9348 1 19 . 1 1 86 86 VAL CB C 86 34.882 34.882 33.702 1.180 17952 9349 1 19 . 1 1 86 86 VAL H H 86 9.407 9.407 8.407 1.000 17952 9350 1 19 . 1 1 87 87 VAL N N 87 127.860 127.860 129.964 -2.104 17952 9351 1 19 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.776 -0.159 17952 9352 1 19 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.143 0.277 17952 9353 1 19 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.576 -1.454 17952 9354 1 19 . 1 1 87 87 VAL H H 87 8.843 8.843 8.733 0.110 17952 9355 1 19 . 1 1 88 88 VAL N N 88 128.150 128.150 128.778 -0.628 17952 9356 1 19 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.595 0.060 17952 9357 1 19 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.965 0.300 17952 9358 1 19 . 1 1 88 88 VAL CB C 88 33.439 33.439 33.097 0.342 17952 9359 1 19 . 1 1 88 88 VAL H H 88 9.538 9.538 9.315 0.223 17952 9360 1 19 . 1 1 89 89 ALA N N 89 128.337 128.337 131.552 -3.215 17952 9361 1 19 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.752 -0.148 17952 9362 1 19 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.616 0.256 17952 9363 1 19 . 1 1 89 89 ALA H H 89 8.170 8.170 8.842 -0.672 17952 9364 1 19 . 1 1 90 90 LYS N N 90 123.110 123.110 122.129 0.981 17952 9365 1 19 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.469 0.008 17952 9366 1 19 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.585 1.525 17952 9367 1 19 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.767 -0.311 17952 9368 1 19 . 1 1 90 90 LYS H H 90 8.231 8.231 8.576 -0.345 17952 9369 1 19 . 1 1 91 91 LYS N N 91 119.291 119.291 120.284 -0.993 17952 9370 1 19 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.128 -0.080 17952 9371 1 19 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.693 1.478 17952 9372 1 19 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.079 0.140 17952 9373 1 19 . 1 1 91 91 LYS H H 91 8.162 8.162 8.467 -0.305 17952 9374 1 19 . 1 1 92 92 GLY N N 92 112.991 112.991 115.121 -2.130 17952 9375 1 19 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.029 0.107 17952 9376 1 19 . 1 1 92 92 GLY H H 92 8.783 8.783 8.670 0.113 17952 9377 1 19 . 1 1 93 93 VAL N N 93 122.937 122.937 121.455 1.482 17952 9378 1 19 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.866 -0.136 17952 9379 1 19 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.236 0.675 17952 9380 1 19 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.134 -1.136 17952 9381 1 19 . 1 1 93 93 VAL H H 93 8.363 8.363 7.681 0.682 17952 9382 1 19 . 1 1 94 94 ALA N N 94 119.882 119.882 119.458 0.424 17952 9383 1 19 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.177 -0.081 17952 9384 1 19 . 1 1 94 94 ALA CB C 94 18.669 18.669 19.453 -0.784 17952 9385 1 19 . 1 1 94 94 ALA H H 94 7.960 7.960 8.087 -0.127 17952 9386 1 19 . 1 1 95 95 ASP N N 95 114.705 114.705 120.483 -5.778 17952 9387 1 19 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.719 -0.227 17952 9388 1 19 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.927 0.934 17952 9389 1 19 . 1 1 95 95 ASP CB C 95 40.883 40.883 39.767 1.116 17952 9390 1 19 . 1 1 95 95 ASP H H 95 7.360 7.360 7.705 -0.345 17952 9391 1 19 . 1 1 96 96 LEU N N 96 120.424 120.424 123.390 -2.966 17952 9392 1 19 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.569 -0.111 17952 9393 1 19 . 1 1 96 96 LEU CA C 96 54.357 54.357 54.068 0.289 17952 9394 1 19 . 1 1 96 96 LEU CB C 96 42.433 42.433 44.548 -2.115 17952 9395 1 19 . 1 1 96 96 LEU H H 96 7.389 7.389 7.510 -0.121 17952 9396 1 19 . 1 1 97 97 ASP N N 97 123.018 123.018 123.189 -0.171 17952 9397 1 19 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.636 -0.106 17952 9398 1 19 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.794 -0.959 17952 9399 1 19 . 1 1 97 97 ASP CB C 97 40.502 40.502 43.439 -2.937 17952 9400 1 19 . 1 1 97 97 ASP H H 97 8.473 8.473 8.363 0.110 17952 9401 1 19 . 1 1 98 98 ASN N N 98 117.692 117.692 121.850 -4.158 17952 9402 1 19 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.385 -0.249 17952 9403 1 19 . 1 1 98 98 ASN CA C 98 56.865 56.865 55.741 1.124 17952 9404 1 19 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.785 -1.845 17952 9405 1 19 . 1 1 98 98 ASN H H 98 8.651 8.651 8.701 -0.050 17952 9406 1 19 . 1 1 99 99 ARG N N 99 120.819 120.819 119.266 1.553 17952 9407 1 19 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.161 -0.108 17952 9408 1 19 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.855 0.643 17952 9409 1 19 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.469 -1.152 17952 9410 1 19 . 1 1 99 99 ARG H H 99 8.191 8.191 8.541 -0.350 17952 9411 1 19 . 1 1 100 100 ALA N N 100 122.928 122.928 122.489 0.439 17952 9412 1 19 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.178 -0.027 17952 9413 1 19 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.273 0.776 17952 9414 1 19 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.020 0.977 17952 9415 1 19 . 1 1 100 100 ALA H H 100 8.524 8.524 7.748 0.776 17952 9416 1 19 . 1 1 101 101 LEU N N 101 120.795 120.795 119.537 1.258 17952 9417 1 19 . 1 1 101 101 LEU HA H 101 4.098 4.098 3.850 0.248 17952 9418 1 19 . 1 1 101 101 LEU CA C 101 58.235 58.235 58.256 -0.021 17952 9419 1 19 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.491 0.018 17952 9420 1 19 . 1 1 101 101 LEU H H 101 8.961 8.961 8.022 0.939 17952 9421 1 19 . 1 1 102 102 SER N N 102 115.314 115.314 113.475 1.839 17952 9422 1 19 . 1 1 102 102 SER HA H 102 4.123 4.123 4.150 -0.027 17952 9423 1 19 . 1 1 102 102 SER CB C 102 62.761 62.761 62.736 0.025 17952 9424 1 19 . 1 1 102 102 SER H H 102 8.459 8.459 7.812 0.647 17952 9425 1 19 . 1 1 103 103 GLU N N 103 122.468 122.468 122.560 -0.092 17952 9426 1 19 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.128 0.002 17952 9427 1 19 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.786 0.682 17952 9428 1 19 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.598 -0.070 17952 9429 1 19 . 1 1 103 103 GLU H H 103 8.492 8.492 7.498 0.994 17952 9430 1 19 . 1 1 104 104 ALA N N 104 123.159 123.159 121.377 1.782 17952 9431 1 19 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.166 -0.076 17952 9432 1 19 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.745 0.497 17952 9433 1 19 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.809 -0.983 17952 9434 1 19 . 1 1 104 104 ALA H H 104 8.074 8.074 8.277 -0.203 17952 9435 1 19 . 1 1 105 105 LEU N N 105 116.602 116.602 119.796 -3.194 17952 9436 1 19 . 1 1 105 105 LEU HA H 105 3.552 3.552 4.062 -0.510 17952 9437 1 19 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.529 0.875 17952 9438 1 19 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.489 0.130 17952 9439 1 19 . 1 1 105 105 LEU H H 105 8.318 8.318 8.161 0.157 17952 9440 1 19 . 1 1 106 106 GLU N N 106 117.564 117.564 117.938 -0.374 17952 9441 1 19 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.176 0.056 17952 9442 1 19 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.231 1.185 17952 9443 1 19 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.710 0.215 17952 9444 1 19 . 1 1 106 106 GLU H H 106 8.009 8.009 8.051 -0.042 17952 9445 1 19 . 1 1 107 107 LYS N N 107 117.286 117.286 119.502 -2.216 17952 9446 1 19 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.175 -0.201 17952 9447 1 19 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.248 1.659 17952 9448 1 19 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.581 0.800 17952 9449 1 19 . 1 1 107 107 LYS H H 107 7.787 7.787 7.697 0.090 17952 9450 1 19 . 1 1 108 108 LEU N N 108 120.504 120.504 120.565 -0.061 17952 9451 1 19 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.235 -0.256 17952 9452 1 19 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.474 0.343 17952 9453 1 19 . 1 1 108 108 LEU CB C 108 42.300 42.300 40.855 1.444 17952 9454 1 19 . 1 1 108 108 LEU H H 108 7.875 7.875 7.653 0.222 17952 9455 1 19 . 1 1 109 109 TRP N N 109 120.547 120.547 121.545 -0.998 17952 9456 1 19 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.911 -1.024 17952 9457 1 19 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.483 1.280 17952 9458 1 19 . 1 1 109 109 TRP H H 109 9.048 9.048 8.094 0.954 17952 9459 1 19 . 1 1 110 110 ARG N N 110 117.678 117.678 117.768 -0.090 17952 9460 1 19 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.598 0.476 17952 9461 1 19 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.614 0.629 17952 9462 1 19 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.898 -0.258 17952 9463 1 19 . 1 1 110 110 ARG H H 110 8.425 8.425 8.219 0.206 17952 9464 1 19 . 1 1 111 111 ARG N N 111 121.156 121.156 119.021 2.135 17952 9465 1 19 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.047 0.128 17952 9466 1 19 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.522 0.546 17952 9467 1 19 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.732 -0.662 17952 9468 1 19 . 1 1 111 111 ARG H H 111 8.100 8.100 7.915 0.185 17952 9469 1 19 . 1 1 112 112 HIS N N 112 118.118 118.118 118.914 -0.796 17952 9470 1 19 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.231 0.072 17952 9471 1 19 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.395 2.140 17952 9472 1 19 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.368 1.549 17952 9473 1 19 . 1 1 112 112 HIS H H 112 8.250 8.250 8.388 -0.138 17952 9474 1 19 . 1 1 113 113 CYS N N 113 117.579 117.579 116.451 1.128 17952 9475 1 19 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.866 0.398 17952 9476 1 19 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.286 2.850 17952 9477 1 19 . 1 1 113 113 CYS CB C 113 26.785 26.785 26.924 -0.139 17952 9478 1 19 . 1 1 113 113 CYS H H 113 8.181 8.181 8.330 -0.149 17952 9479 1 19 . 1 1 114 114 ARG N N 114 120.172 120.172 118.829 1.343 17952 9480 1 19 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.295 -0.148 17952 9481 1 19 . 1 1 114 114 ARG CA C 114 59.050 59.050 56.846 2.204 17952 9482 1 19 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.569 0.249 17952 9483 1 19 . 1 1 114 114 ARG H H 114 7.870 7.870 7.427 0.443 17952 9484 1 19 . 1 1 115 115 LEU N N 115 120.720 120.720 122.902 -2.182 17952 9485 1 19 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.067 0.050 17952 9486 1 19 . 1 1 115 115 LEU CA C 115 57.362 57.362 57.785 -0.423 17952 9487 1 19 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.809 0.093 17952 9488 1 19 . 1 1 115 115 LEU H H 115 8.690 8.690 7.615 1.075 17952 9489 1 19 . 1 1 116 116 ALA N N 116 119.118 119.118 118.484 0.634 17952 9490 1 19 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.204 0.163 17952 9491 1 19 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.324 0.764 17952 9492 1 19 . 1 1 116 116 ALA H H 116 7.751 7.751 7.645 0.106 17952 9493 1 19 . 1 1 117 117 ARG N N 117 117.010 117.010 117.336 -0.326 17952 9494 1 19 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.477 -0.089 17952 9495 1 19 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.337 1.709 17952 9496 1 19 . 1 1 117 117 ARG CB C 117 30.858 30.858 31.878 -1.020 17952 9497 1 19 . 1 1 117 117 ARG H H 117 7.602 7.602 7.421 0.181 17952 9498 1 19 . 1 1 118 118 GLY N N 118 108.836 108.836 108.641 0.195 17952 9499 1 19 . 1 1 118 118 GLY CA C 118 45.566 45.566 44.827 0.739 17952 9500 1 19 . 1 1 118 118 GLY H H 118 8.087 8.087 7.688 0.400 17952 9501 1 20 . 1 1 3 3 LYS CA C 3 56.191 56.191 54.998 1.193 17952 9502 1 20 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.142 -0.176 17952 9503 1 20 . 1 1 4 4 LEU N N 4 125.667 125.667 119.919 5.748 17952 9504 1 20 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.130 0.257 17952 9505 1 20 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.771 -1.104 17952 9506 1 20 . 1 1 4 4 LEU CB C 4 42.618 42.618 40.367 2.251 17952 9507 1 20 . 1 1 4 4 LEU H H 4 8.498 8.498 8.551 -0.053 17952 9508 1 20 . 1 1 5 5 ALA N N 5 126.419 126.419 117.814 8.605 17952 9509 1 20 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.480 -0.109 17952 9510 1 20 . 1 1 5 5 ALA CB C 5 19.337 19.337 21.906 -2.569 17952 9511 1 20 . 1 1 5 5 ALA H H 5 8.435 8.435 7.331 1.104 17952 9512 1 20 . 1 1 6 6 PHE N N 6 124.718 124.718 119.446 5.272 17952 9513 1 20 . 1 1 6 6 PHE H H 6 8.714 8.714 8.661 0.053 17952 9514 1 20 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.379 -0.143 17952 9515 1 20 . 1 1 7 7 PRO CA C 7 63.736 63.736 65.009 -1.273 17952 9516 1 20 . 1 1 7 7 PRO CB C 7 32.402 32.402 31.757 0.645 17952 9517 1 20 . 1 1 8 8 ARG N N 8 124.351 124.351 115.980 8.371 17952 9518 1 20 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.583 -0.799 17952 9519 1 20 . 1 1 8 8 ARG CA C 8 59.972 59.972 55.926 4.046 17952 9520 1 20 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.359 0.897 17952 9521 1 20 . 1 1 8 8 ARG H H 8 8.650 8.650 8.364 0.286 17952 9522 1 20 . 1 1 9 9 GLU N N 9 117.015 117.015 119.356 -2.341 17952 9523 1 20 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.399 -0.158 17952 9524 1 20 . 1 1 9 9 GLU CA C 9 58.536 58.536 57.082 1.454 17952 9525 1 20 . 1 1 9 9 GLU CB C 9 28.286 28.286 30.658 -2.372 17952 9526 1 20 . 1 1 9 9 GLU H H 9 9.522 9.522 7.989 1.533 17952 9527 1 20 . 1 1 10 10 LEU N N 10 116.269 116.269 121.968 -5.699 17952 9528 1 20 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.649 0.033 17952 9529 1 20 . 1 1 10 10 LEU CA C 10 54.324 54.324 54.665 -0.341 17952 9530 1 20 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.116 0.189 17952 9531 1 20 . 1 1 10 10 LEU H H 10 7.285 7.285 7.921 -0.636 17952 9532 1 20 . 1 1 11 11 ARG N N 11 116.982 116.982 121.153 -4.171 17952 9533 1 20 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.717 0.328 17952 9534 1 20 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.124 0.547 17952 9535 1 20 . 1 1 11 11 ARG CB C 11 32.827 32.827 30.086 2.741 17952 9536 1 20 . 1 1 11 11 ARG H H 11 7.618 7.618 7.385 0.233 17952 9537 1 20 . 1 1 12 12 LEU N N 12 119.127 119.127 121.649 -2.522 17952 9538 1 20 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.812 -0.483 17952 9539 1 20 . 1 1 12 12 LEU CA C 12 54.115 54.115 53.736 0.379 17952 9540 1 20 . 1 1 12 12 LEU CB C 12 41.683 41.683 43.539 -1.856 17952 9541 1 20 . 1 1 12 12 LEU H H 12 7.289 7.289 8.376 -1.087 17952 9542 1 20 . 1 1 13 13 LEU N N 13 123.181 123.181 121.857 1.324 17952 9543 1 20 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.746 0.001 17952 9544 1 20 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.635 1.555 17952 9545 1 20 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.793 3.441 17952 9546 1 20 . 1 1 13 13 LEU H H 13 8.816 8.816 8.513 0.303 17952 9547 1 20 . 1 1 14 14 THR N N 14 111.810 111.810 113.948 -2.138 17952 9548 1 20 . 1 1 14 14 THR HA H 14 5.104 5.104 4.120 0.984 17952 9549 1 20 . 1 1 14 14 THR H H 14 8.321 8.321 8.326 -0.005 17952 9550 1 20 . 1 1 16 16 SER HA H 16 4.282 4.282 4.733 -0.451 17952 9551 1 20 . 1 1 16 16 SER CB C 16 62.228 62.228 64.308 -2.079 17952 9552 1 20 . 1 1 17 17 GLN N N 17 122.336 122.336 126.662 -4.326 17952 9553 1 20 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.386 -0.308 17952 9554 1 20 . 1 1 17 17 GLN CA C 17 58.122 58.122 56.520 1.602 17952 9555 1 20 . 1 1 17 17 GLN CB C 17 29.103 29.103 29.025 0.078 17952 9556 1 20 . 1 1 17 17 GLN H H 17 7.967 7.967 8.836 -0.869 17952 9557 1 20 . 1 1 18 18 PHE N N 18 119.658 119.658 123.786 -4.128 17952 9558 1 20 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.670 -0.030 17952 9559 1 20 . 1 1 18 18 PHE CB C 18 38.490 38.490 39.191 -0.701 17952 9560 1 20 . 1 1 18 18 PHE H H 18 7.733 7.733 8.051 -0.318 17952 9561 1 20 . 1 1 19 19 THR N N 19 116.141 116.141 113.987 2.154 17952 9562 1 20 . 1 1 19 19 THR HA H 19 3.911 3.911 3.967 -0.056 17952 9563 1 20 . 1 1 19 19 THR CA C 19 67.058 67.058 65.460 1.598 17952 9564 1 20 . 1 1 19 19 THR CB C 19 68.790 68.790 68.435 0.355 17952 9565 1 20 . 1 1 19 19 THR H H 19 8.622 8.622 7.861 0.761 17952 9566 1 20 . 1 1 20 20 PHE N N 20 119.904 119.904 120.371 -0.467 17952 9567 1 20 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.482 -0.333 17952 9568 1 20 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.488 -0.228 17952 9569 1 20 . 1 1 20 20 PHE H H 20 7.728 7.728 7.833 -0.105 17952 9570 1 20 . 1 1 21 21 VAL N N 21 117.896 117.896 116.907 0.989 17952 9571 1 20 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.859 -0.777 17952 9572 1 20 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.939 1.397 17952 9573 1 20 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.047 0.541 17952 9574 1 20 . 1 1 21 21 VAL H H 21 6.861 6.861 8.564 -1.703 17952 9575 1 20 . 1 1 22 22 PHE N N 22 114.352 114.352 119.462 -5.110 17952 9576 1 20 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.224 -0.213 17952 9577 1 20 . 1 1 22 22 PHE CB C 22 38.585 38.585 38.981 -0.397 17952 9578 1 20 . 1 1 22 22 PHE H H 22 7.653 7.653 7.630 0.023 17952 9579 1 20 . 1 1 23 23 GLN N N 23 116.245 116.245 117.553 -1.308 17952 9580 1 20 . 1 1 23 23 GLN HA H 23 4.033 4.033 4.017 0.016 17952 9581 1 20 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.622 0.793 17952 9582 1 20 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.162 -0.212 17952 9583 1 20 . 1 1 23 23 GLN H H 23 7.928 7.928 7.561 0.367 17952 9584 1 20 . 1 1 24 24 GLN N N 24 114.087 114.087 117.709 -3.622 17952 9585 1 20 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.636 -0.211 17952 9586 1 20 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.221 1.470 17952 9587 1 20 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.420 -0.963 17952 9588 1 20 . 1 1 24 24 GLN H H 24 6.731 6.731 7.511 -0.780 17952 9589 1 20 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.587 0.441 17952 9590 1 20 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.352 0.827 17952 9591 1 20 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.373 0.204 17952 9592 1 20 . 1 1 26 26 GLN N N 26 120.107 120.107 124.989 -4.882 17952 9593 1 20 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.634 0.645 17952 9594 1 20 . 1 1 26 26 GLN CB C 26 30.556 30.556 30.128 0.428 17952 9595 1 20 . 1 1 26 26 GLN H H 26 9.622 9.622 8.836 0.786 17952 9596 1 20 . 1 1 27 27 ARG N N 27 125.712 125.712 128.615 -2.903 17952 9597 1 20 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.730 0.490 17952 9598 1 20 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.290 0.835 17952 9599 1 20 . 1 1 27 27 ARG CB C 27 34.641 34.641 30.274 4.367 17952 9600 1 20 . 1 1 27 27 ARG H H 27 9.068 9.068 8.822 0.246 17952 9601 1 20 . 1 1 28 28 ALA N N 28 123.402 123.402 130.693 -7.291 17952 9602 1 20 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.682 -0.168 17952 9603 1 20 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.013 0.906 17952 9604 1 20 . 1 1 28 28 ALA H H 28 8.102 8.102 8.049 0.053 17952 9605 1 20 . 1 1 29 29 GLY N N 29 109.532 109.532 109.786 -0.254 17952 9606 1 20 . 1 1 29 29 GLY CA C 29 46.884 46.884 44.974 1.910 17952 9607 1 20 . 1 1 29 29 GLY H H 29 8.572 8.572 8.073 0.499 17952 9608 1 20 . 1 1 30 30 THR N N 30 113.168 113.168 116.818 -3.650 17952 9609 1 20 . 1 1 30 30 THR HA H 30 4.953 4.953 4.684 0.269 17952 9610 1 20 . 1 1 30 30 THR H H 30 9.199 9.199 8.387 0.812 17952 9611 1 20 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.323 -0.026 17952 9612 1 20 . 1 1 31 31 PRO CA C 31 65.511 65.511 65.723 -0.212 17952 9613 1 20 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.102 -1.119 17952 9614 1 20 . 1 1 32 32 GLN N N 32 110.281 110.281 116.506 -6.225 17952 9615 1 20 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.113 0.082 17952 9616 1 20 . 1 1 32 32 GLN CA C 32 58.478 58.478 58.763 -0.285 17952 9617 1 20 . 1 1 32 32 GLN CB C 32 28.996 28.996 28.532 0.464 17952 9618 1 20 . 1 1 32 32 GLN H H 32 7.403 7.403 8.534 -1.131 17952 9619 1 20 . 1 1 33 33 ILE N N 33 118.254 118.254 117.809 0.445 17952 9620 1 20 . 1 1 33 33 ILE CA C 33 60.240 60.240 59.747 0.493 17952 9621 1 20 . 1 1 33 33 ILE CB C 33 42.791 42.791 38.975 3.816 17952 9622 1 20 . 1 1 33 33 ILE H H 33 7.353 7.353 7.770 -0.417 17952 9623 1 20 . 1 1 34 34 THR N N 34 122.650 122.650 126.553 -3.903 17952 9624 1 20 . 1 1 34 34 THR HA H 34 4.946 4.946 4.734 0.212 17952 9625 1 20 . 1 1 34 34 THR CA C 34 61.792 61.792 62.328 -0.536 17952 9626 1 20 . 1 1 34 34 THR CB C 34 71.752 71.752 69.002 2.750 17952 9627 1 20 . 1 1 34 34 THR H H 34 8.787 8.787 8.901 -0.114 17952 9628 1 20 . 1 1 35 35 ILE N N 35 123.778 123.778 129.613 -5.835 17952 9629 1 20 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.496 0.665 17952 9630 1 20 . 1 1 35 35 ILE CA C 35 61.713 61.713 61.031 0.682 17952 9631 1 20 . 1 1 35 35 ILE CB C 35 40.043 40.043 37.681 2.362 17952 9632 1 20 . 1 1 35 35 ILE H H 35 9.109 9.109 8.649 0.460 17952 9633 1 20 . 1 1 36 36 LEU N N 36 132.558 132.558 129.152 3.406 17952 9634 1 20 . 1 1 36 36 LEU HA H 36 5.634 5.634 4.762 0.872 17952 9635 1 20 . 1 1 36 36 LEU CA C 36 53.244 53.244 54.021 -0.777 17952 9636 1 20 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.104 2.394 17952 9637 1 20 . 1 1 36 36 LEU H H 36 9.500 9.500 9.122 0.378 17952 9638 1 20 . 1 1 37 37 GLY N N 37 106.940 106.940 111.483 -4.543 17952 9639 1 20 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.063 1.195 17952 9640 1 20 . 1 1 37 37 GLY H H 37 9.058 9.058 8.651 0.407 17952 9641 1 20 . 1 1 38 38 ARG N N 38 121.378 121.378 120.994 0.384 17952 9642 1 20 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.695 -0.043 17952 9643 1 20 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.888 0.397 17952 9644 1 20 . 1 1 38 38 ARG CB C 38 35.176 35.176 34.573 0.603 17952 9645 1 20 . 1 1 38 38 ARG H H 38 8.384 8.384 8.252 0.132 17952 9646 1 20 . 1 1 39 39 LEU N N 39 129.596 129.596 126.581 3.015 17952 9647 1 20 . 1 1 39 39 LEU CB C 39 42.472 42.472 41.035 1.437 17952 9648 1 20 . 1 1 39 39 LEU H H 39 9.030 9.030 8.543 0.487 17952 9649 1 20 . 1 1 40 40 ASN N N 40 119.921 119.921 122.198 -2.277 17952 9650 1 20 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.024 -0.478 17952 9651 1 20 . 1 1 40 40 ASN CB C 40 41.088 41.088 41.209 -0.121 17952 9652 1 20 . 1 1 40 40 ASN H H 40 8.186 8.186 7.714 0.472 17952 9653 1 20 . 1 1 41 41 SER N N 41 112.600 112.600 115.248 -2.648 17952 9654 1 20 . 1 1 41 41 SER HA H 41 4.484 4.484 4.400 0.084 17952 9655 1 20 . 1 1 41 41 SER CB C 41 62.949 62.949 63.237 -0.288 17952 9656 1 20 . 1 1 41 41 SER H H 41 8.646 8.646 8.680 -0.034 17952 9657 1 20 . 1 1 42 42 LEU N N 42 120.612 120.612 121.203 -0.591 17952 9658 1 20 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.279 0.055 17952 9659 1 20 . 1 1 42 42 LEU CA C 42 54.828 54.828 56.133 -1.306 17952 9660 1 20 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.392 1.321 17952 9661 1 20 . 1 1 42 42 LEU H H 42 8.538 8.538 8.305 0.233 17952 9662 1 20 . 1 1 43 43 GLY N N 43 105.922 105.922 106.051 -0.129 17952 9663 1 20 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.681 -0.410 17952 9664 1 20 . 1 1 43 43 GLY H H 43 8.317 8.317 7.985 0.332 17952 9665 1 20 . 1 1 44 44 HIS N N 44 114.144 114.144 119.702 -5.558 17952 9666 1 20 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.738 0.327 17952 9667 1 20 . 1 1 44 44 HIS H H 44 7.145 7.145 7.715 -0.570 17952 9668 1 20 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.721 0.682 17952 9669 1 20 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.760 -0.199 17952 9670 1 20 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.314 1.783 17952 9671 1 20 . 1 1 46 46 ARG N N 46 116.294 116.294 123.513 -7.219 17952 9672 1 20 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.398 0.758 17952 9673 1 20 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.801 1.353 17952 9674 1 20 . 1 1 46 46 ARG CB C 46 37.970 37.970 33.540 4.430 17952 9675 1 20 . 1 1 46 46 ARG H H 46 8.919 8.919 7.635 1.284 17952 9676 1 20 . 1 1 47 47 ILE N N 47 117.069 117.069 123.546 -6.477 17952 9677 1 20 . 1 1 47 47 ILE HA H 47 5.684 5.684 3.798 1.886 17952 9678 1 20 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.229 -1.409 17952 9679 1 20 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.302 2.410 17952 9680 1 20 . 1 1 47 47 ILE H H 47 9.106 9.106 8.326 0.780 17952 9681 1 20 . 1 1 48 48 GLY N N 48 116.903 116.903 117.730 -0.827 17952 9682 1 20 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.100 0.429 17952 9683 1 20 . 1 1 48 48 GLY H H 48 9.276 9.276 8.355 0.921 17952 9684 1 20 . 1 1 49 49 LEU N N 49 123.729 123.729 128.062 -4.333 17952 9685 1 20 . 1 1 49 49 LEU HA H 49 5.441 5.441 5.080 0.361 17952 9686 1 20 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.085 0.277 17952 9687 1 20 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.769 2.776 17952 9688 1 20 . 1 1 49 49 LEU H H 49 8.957 8.957 8.607 0.350 17952 9689 1 20 . 1 1 50 50 THR N N 50 120.870 120.870 125.499 -4.629 17952 9690 1 20 . 1 1 50 50 THR HA H 50 4.616 4.616 4.466 0.150 17952 9691 1 20 . 1 1 50 50 THR H H 50 9.419 9.419 9.197 0.222 17952 9692 1 20 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.208 0.148 17952 9693 1 20 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.398 -0.288 17952 9694 1 20 . 1 1 51 51 VAL CB C 51 32.291 32.291 32.882 -0.591 17952 9695 1 20 . 1 1 52 52 ALA N N 52 129.415 129.415 131.054 -1.639 17952 9696 1 20 . 1 1 52 52 ALA CB C 52 19.312 19.312 19.280 0.032 17952 9697 1 20 . 1 1 52 52 ALA H H 52 9.046 9.046 8.695 0.351 17952 9698 1 20 . 1 1 53 53 LYS N N 53 125.023 125.023 124.958 0.065 17952 9699 1 20 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.026 0.063 17952 9700 1 20 . 1 1 53 53 LYS CA C 53 58.735 58.735 58.386 0.349 17952 9701 1 20 . 1 1 53 53 LYS CB C 53 32.096 32.096 32.221 -0.125 17952 9702 1 20 . 1 1 53 53 LYS H H 53 8.811 8.811 8.770 0.041 17952 9703 1 20 . 1 1 54 54 LYS N N 54 114.126 114.126 113.655 0.471 17952 9704 1 20 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.273 -0.232 17952 9705 1 20 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.452 0.501 17952 9706 1 20 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.356 -0.426 17952 9707 1 20 . 1 1 54 54 LYS H H 54 8.073 8.073 7.851 0.222 17952 9708 1 20 . 1 1 55 55 ASN N N 55 115.234 115.234 118.545 -3.311 17952 9709 1 20 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.800 0.058 17952 9710 1 20 . 1 1 55 55 ASN CA C 55 53.777 53.777 53.883 -0.105 17952 9711 1 20 . 1 1 55 55 ASN CB C 55 39.529 39.529 39.389 0.140 17952 9712 1 20 . 1 1 55 55 ASN H H 55 7.434 7.434 8.110 -0.676 17952 9713 1 20 . 1 1 56 56 VAL N N 56 121.000 121.000 118.603 2.397 17952 9714 1 20 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.128 0.045 17952 9715 1 20 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.300 0.461 17952 9716 1 20 . 1 1 56 56 VAL CB C 56 33.033 33.033 33.400 -0.367 17952 9717 1 20 . 1 1 56 56 VAL H H 56 7.764 7.764 7.116 0.648 17952 9718 1 20 . 1 1 57 57 ARG N N 57 125.781 125.781 125.511 0.270 17952 9719 1 20 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.064 0.136 17952 9720 1 20 . 1 1 57 57 ARG CA C 57 58.646 58.646 58.860 -0.214 17952 9721 1 20 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.431 0.573 17952 9722 1 20 . 1 1 57 57 ARG H H 57 8.441 8.441 8.661 -0.220 17952 9723 1 20 . 1 1 58 58 ARG N N 58 118.159 118.159 115.195 2.964 17952 9724 1 20 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.524 0.070 17952 9725 1 20 . 1 1 58 58 ARG H H 58 8.250 8.250 8.355 -0.105 17952 9726 1 20 . 1 1 60 60 HIS N N 60 116.957 116.957 118.415 -1.458 17952 9727 1 20 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.318 0.117 17952 9728 1 20 . 1 1 60 60 HIS CA C 60 59.605 59.605 59.056 0.549 17952 9729 1 20 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.687 0.260 17952 9730 1 20 . 1 1 60 60 HIS H H 60 7.600 7.600 8.406 -0.806 17952 9731 1 20 . 1 1 61 61 GLU N N 61 119.542 119.542 118.792 0.750 17952 9732 1 20 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.253 0.176 17952 9733 1 20 . 1 1 61 61 GLU CA C 61 57.628 57.628 58.559 -0.931 17952 9734 1 20 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.607 1.198 17952 9735 1 20 . 1 1 61 61 GLU H H 61 6.702 6.702 9.011 -2.309 17952 9736 1 20 . 1 1 62 62 ARG N N 62 120.227 120.227 120.228 -0.001 17952 9737 1 20 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.115 -0.382 17952 9738 1 20 . 1 1 62 62 ARG CA C 62 61.531 61.531 58.944 2.587 17952 9739 1 20 . 1 1 62 62 ARG CB C 62 29.612 29.612 30.338 -0.726 17952 9740 1 20 . 1 1 62 62 ARG H H 62 7.951 7.951 7.864 0.087 17952 9741 1 20 . 1 1 63 63 ASN N N 63 116.757 116.757 117.580 -0.823 17952 9742 1 20 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.493 -0.059 17952 9743 1 20 . 1 1 63 63 ASN CA C 63 56.208 56.208 56.150 0.058 17952 9744 1 20 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.538 -0.713 17952 9745 1 20 . 1 1 63 63 ASN H H 63 8.365 8.365 7.941 0.424 17952 9746 1 20 . 1 1 64 64 ARG N N 64 123.093 123.093 120.712 2.381 17952 9747 1 20 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.128 -0.072 17952 9748 1 20 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.675 1.463 17952 9749 1 20 . 1 1 64 64 ARG CB C 64 30.832 30.832 29.531 1.301 17952 9750 1 20 . 1 1 64 64 ARG H H 64 7.770 7.770 7.520 0.250 17952 9751 1 20 . 1 1 65 65 ILE N N 65 117.911 117.911 118.997 -1.086 17952 9752 1 20 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.844 -0.319 17952 9753 1 20 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.338 1.377 17952 9754 1 20 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.776 0.869 17952 9755 1 20 . 1 1 65 65 ILE H H 65 8.121 8.121 7.570 0.551 17952 9756 1 20 . 1 1 66 66 LYS N N 66 122.635 122.635 120.409 2.226 17952 9757 1 20 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.134 -0.363 17952 9758 1 20 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.466 1.469 17952 9759 1 20 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.136 0.288 17952 9760 1 20 . 1 1 66 66 LYS H H 66 8.337 8.337 7.604 0.733 17952 9761 1 20 . 1 1 67 67 ARG N N 67 119.137 119.137 119.638 -0.501 17952 9762 1 20 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.135 -0.127 17952 9763 1 20 . 1 1 67 67 ARG CA C 67 59.989 59.989 57.771 2.218 17952 9764 1 20 . 1 1 67 67 ARG CB C 67 30.035 30.035 29.729 0.306 17952 9765 1 20 . 1 1 67 67 ARG H H 67 8.257 8.257 7.825 0.432 17952 9766 1 20 . 1 1 68 68 LEU N N 68 119.084 119.084 120.409 -1.325 17952 9767 1 20 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.123 -0.016 17952 9768 1 20 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.221 -0.199 17952 9769 1 20 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.383 0.219 17952 9770 1 20 . 1 1 68 68 LEU H H 68 8.427 8.427 8.356 0.071 17952 9771 1 20 . 1 1 69 69 THR N N 69 118.019 118.019 111.693 6.326 17952 9772 1 20 . 1 1 69 69 THR CA C 69 67.701 67.701 65.717 1.984 17952 9773 1 20 . 1 1 69 69 THR H H 69 8.433 8.433 8.318 0.115 17952 9774 1 20 . 1 1 70 70 ARG N N 70 122.713 122.713 119.794 2.919 17952 9775 1 20 . 1 1 70 70 ARG CA C 70 61.410 61.410 57.566 3.845 17952 9776 1 20 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.167 -0.117 17952 9777 1 20 . 1 1 70 70 ARG H H 70 8.346 8.346 7.765 0.581 17952 9778 1 20 . 1 1 71 71 GLU N N 71 118.890 118.890 119.656 -0.766 17952 9779 1 20 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.335 -0.069 17952 9780 1 20 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.504 0.977 17952 9781 1 20 . 1 1 71 71 GLU CB C 71 29.316 29.316 30.871 -1.555 17952 9782 1 20 . 1 1 71 71 GLU H H 71 8.334 8.334 7.511 0.823 17952 9783 1 20 . 1 1 72 72 SER N N 72 114.922 114.922 117.248 -2.326 17952 9784 1 20 . 1 1 72 72 SER HA H 72 4.243 4.243 4.129 0.114 17952 9785 1 20 . 1 1 72 72 SER CA C 72 61.292 61.292 61.929 -0.637 17952 9786 1 20 . 1 1 72 72 SER CB C 72 63.065 63.065 63.314 -0.249 17952 9787 1 20 . 1 1 72 72 SER H H 72 8.205 8.205 8.355 -0.150 17952 9788 1 20 . 1 1 73 73 PHE N N 73 122.665 122.665 119.005 3.660 17952 9789 1 20 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.568 -1.459 17952 9790 1 20 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.394 1.141 17952 9791 1 20 . 1 1 73 73 PHE H H 73 7.788 7.788 7.969 -0.181 17952 9792 1 20 . 1 1 74 74 ARG N N 74 119.417 119.417 119.049 0.368 17952 9793 1 20 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.408 -0.511 17952 9794 1 20 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.066 2.135 17952 9795 1 20 . 1 1 74 74 ARG CB C 74 29.981 29.981 31.837 -1.856 17952 9796 1 20 . 1 1 74 74 ARG H H 74 8.580 8.580 7.400 1.180 17952 9797 1 20 . 1 1 75 75 LEU N N 75 117.144 117.144 119.299 -2.155 17952 9798 1 20 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.188 -0.092 17952 9799 1 20 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.329 0.888 17952 9800 1 20 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.460 0.328 17952 9801 1 20 . 1 1 75 75 LEU H H 75 7.903 7.903 7.537 0.366 17952 9802 1 20 . 1 1 76 76 ARG N N 76 113.888 113.888 116.829 -2.941 17952 9803 1 20 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.606 -0.183 17952 9804 1 20 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.756 -0.269 17952 9805 1 20 . 1 1 76 76 ARG CB C 76 31.867 31.867 30.774 1.093 17952 9806 1 20 . 1 1 76 76 ARG H H 76 6.736 6.736 7.374 -0.638 17952 9807 1 20 . 1 1 77 77 GLN N N 77 120.009 120.009 119.015 0.994 17952 9808 1 20 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.113 3.143 17952 9809 1 20 . 1 1 77 77 GLN CB C 77 28.588 28.588 29.482 -0.894 17952 9810 1 20 . 1 1 77 77 GLN H H 77 7.273 7.273 9.273 -2.000 17952 9811 1 20 . 1 1 78 78 HIS N N 78 114.954 114.954 117.865 -2.911 17952 9812 1 20 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.756 -0.311 17952 9813 1 20 . 1 1 78 78 HIS CA C 78 57.800 57.800 58.145 -0.345 17952 9814 1 20 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.893 -1.491 17952 9815 1 20 . 1 1 78 78 HIS H H 78 8.389 8.389 8.541 -0.152 17952 9816 1 20 . 1 1 79 79 GLU N N 79 118.231 118.231 119.967 -1.736 17952 9817 1 20 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.367 0.040 17952 9818 1 20 . 1 1 79 79 GLU CA C 79 55.392 55.392 57.629 -2.237 17952 9819 1 20 . 1 1 79 79 GLU CB C 79 31.296 31.296 29.377 1.919 17952 9820 1 20 . 1 1 79 79 GLU H H 79 7.717 7.717 8.917 -1.200 17952 9821 1 20 . 1 1 80 80 LEU N N 80 119.751 119.751 117.939 1.812 17952 9822 1 20 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.819 -0.265 17952 9823 1 20 . 1 1 80 80 LEU H H 80 6.859 6.859 7.720 -0.861 17952 9824 1 20 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.540 0.031 17952 9825 1 20 . 1 1 81 81 PRO CA C 81 61.725 61.725 61.767 -0.042 17952 9826 1 20 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.499 -0.167 17952 9827 1 20 . 1 1 82 82 ALA N N 82 122.525 122.525 122.652 -0.127 17952 9828 1 20 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.230 -0.472 17952 9829 1 20 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.622 -2.715 17952 9830 1 20 . 1 1 82 82 ALA H H 82 8.425 8.425 8.286 0.139 17952 9831 1 20 . 1 1 83 83 MET N N 83 122.963 122.963 124.854 -1.891 17952 9832 1 20 . 1 1 83 83 MET HA H 83 4.387 4.387 4.849 -0.462 17952 9833 1 20 . 1 1 83 83 MET CA C 83 54.002 54.002 55.471 -1.469 17952 9834 1 20 . 1 1 83 83 MET CB C 83 35.655 35.655 35.590 0.065 17952 9835 1 20 . 1 1 83 83 MET H H 83 7.851 7.851 8.285 -0.434 17952 9836 1 20 . 1 1 84 84 ASP N N 84 121.733 121.733 125.199 -3.466 17952 9837 1 20 . 1 1 84 84 ASP HA H 84 4.752 4.752 5.328 -0.576 17952 9838 1 20 . 1 1 84 84 ASP CA C 84 53.638 53.638 52.989 0.650 17952 9839 1 20 . 1 1 84 84 ASP CB C 84 41.990 41.990 42.225 -0.235 17952 9840 1 20 . 1 1 84 84 ASP H H 84 8.393 8.393 8.409 -0.016 17952 9841 1 20 . 1 1 85 85 PHE N N 85 121.368 121.368 116.429 4.939 17952 9842 1 20 . 1 1 85 85 PHE HA H 85 5.956 5.956 5.345 0.611 17952 9843 1 20 . 1 1 85 85 PHE CB C 85 42.080 42.080 42.095 -0.015 17952 9844 1 20 . 1 1 85 85 PHE H H 85 8.849 8.849 7.626 1.223 17952 9845 1 20 . 1 1 86 86 VAL N N 86 120.431 120.431 120.656 -0.225 17952 9846 1 20 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.581 0.035 17952 9847 1 20 . 1 1 86 86 VAL CA C 86 60.874 60.874 59.724 1.150 17952 9848 1 20 . 1 1 86 86 VAL CB C 86 34.882 34.882 36.468 -1.586 17952 9849 1 20 . 1 1 86 86 VAL H H 86 9.407 9.407 9.231 0.176 17952 9850 1 20 . 1 1 87 87 VAL N N 87 127.860 127.860 128.806 -0.946 17952 9851 1 20 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.833 -0.216 17952 9852 1 20 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.216 0.204 17952 9853 1 20 . 1 1 87 87 VAL CB C 87 32.122 32.122 33.082 -0.960 17952 9854 1 20 . 1 1 87 87 VAL H H 87 8.843 8.843 9.170 -0.327 17952 9855 1 20 . 1 1 88 88 VAL N N 88 128.150 128.150 128.480 -0.330 17952 9856 1 20 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.923 -0.268 17952 9857 1 20 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.262 1.003 17952 9858 1 20 . 1 1 88 88 VAL CB C 88 33.439 33.439 34.891 -1.452 17952 9859 1 20 . 1 1 88 88 VAL H H 88 9.538 9.538 9.217 0.321 17952 9860 1 20 . 1 1 89 89 ALA N N 89 128.337 128.337 130.417 -2.080 17952 9861 1 20 . 1 1 89 89 ALA HA H 89 4.604 4.604 5.017 -0.413 17952 9862 1 20 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.357 0.514 17952 9863 1 20 . 1 1 89 89 ALA H H 89 8.170 8.170 8.182 -0.012 17952 9864 1 20 . 1 1 90 90 LYS N N 90 123.110 123.110 123.914 -0.804 17952 9865 1 20 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.443 0.034 17952 9866 1 20 . 1 1 90 90 LYS CA C 90 55.110 55.110 53.771 1.339 17952 9867 1 20 . 1 1 90 90 LYS CB C 90 33.455 33.455 33.503 -0.048 17952 9868 1 20 . 1 1 90 90 LYS H H 90 8.231 8.231 8.715 -0.484 17952 9869 1 20 . 1 1 91 91 LYS N N 91 119.291 119.291 119.783 -0.492 17952 9870 1 20 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.375 -0.327 17952 9871 1 20 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.063 2.108 17952 9872 1 20 . 1 1 91 91 LYS CB C 91 32.219 32.219 32.609 -0.390 17952 9873 1 20 . 1 1 91 91 LYS H H 91 8.162 8.162 8.340 -0.178 17952 9874 1 20 . 1 1 92 92 GLY N N 92 112.991 112.991 115.223 -2.232 17952 9875 1 20 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.278 -0.142 17952 9876 1 20 . 1 1 92 92 GLY H H 92 8.783 8.783 8.513 0.270 17952 9877 1 20 . 1 1 93 93 VAL N N 93 122.937 122.937 122.610 0.327 17952 9878 1 20 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.905 -0.175 17952 9879 1 20 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.637 0.274 17952 9880 1 20 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.809 -1.811 17952 9881 1 20 . 1 1 93 93 VAL H H 93 8.363 8.363 7.405 0.958 17952 9882 1 20 . 1 1 94 94 ALA N N 94 119.882 119.882 118.991 0.891 17952 9883 1 20 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.244 -0.148 17952 9884 1 20 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.133 0.536 17952 9885 1 20 . 1 1 94 94 ALA H H 94 7.960 7.960 8.243 -0.283 17952 9886 1 20 . 1 1 95 95 ASP N N 95 114.705 114.705 118.515 -3.810 17952 9887 1 20 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.726 -0.234 17952 9888 1 20 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.753 1.108 17952 9889 1 20 . 1 1 95 95 ASP CB C 95 40.883 40.883 42.276 -1.393 17952 9890 1 20 . 1 1 95 95 ASP H H 95 7.360 7.360 7.756 -0.396 17952 9891 1 20 . 1 1 96 96 LEU N N 96 120.424 120.424 122.599 -2.175 17952 9892 1 20 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.313 0.145 17952 9893 1 20 . 1 1 96 96 LEU CA C 96 54.357 54.357 55.151 -0.794 17952 9894 1 20 . 1 1 96 96 LEU CB C 96 42.433 42.433 42.377 0.056 17952 9895 1 20 . 1 1 96 96 LEU H H 96 7.389 7.389 7.440 -0.051 17952 9896 1 20 . 1 1 97 97 ASP N N 97 123.018 123.018 122.686 0.332 17952 9897 1 20 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.603 -0.073 17952 9898 1 20 . 1 1 97 97 ASP CA C 97 52.835 52.835 52.828 0.007 17952 9899 1 20 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.203 -1.701 17952 9900 1 20 . 1 1 97 97 ASP H H 97 8.473 8.473 8.226 0.247 17952 9901 1 20 . 1 1 98 98 ASN N N 98 117.692 117.692 117.887 -0.195 17952 9902 1 20 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.452 -0.316 17952 9903 1 20 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.138 0.727 17952 9904 1 20 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.246 -1.306 17952 9905 1 20 . 1 1 98 98 ASN H H 98 8.651 8.651 8.730 -0.079 17952 9906 1 20 . 1 1 99 99 ARG N N 99 120.819 120.819 120.947 -0.128 17952 9907 1 20 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.039 0.014 17952 9908 1 20 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.924 0.574 17952 9909 1 20 . 1 1 99 99 ARG CB C 99 29.317 29.317 29.822 -0.505 17952 9910 1 20 . 1 1 99 99 ARG H H 99 8.191 8.191 8.451 -0.260 17952 9911 1 20 . 1 1 100 100 ALA N N 100 122.928 122.928 121.351 1.577 17952 9912 1 20 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.081 0.070 17952 9913 1 20 . 1 1 100 100 ALA CA C 100 55.049 55.049 55.070 -0.021 17952 9914 1 20 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.293 0.704 17952 9915 1 20 . 1 1 100 100 ALA H H 100 8.524 8.524 8.448 0.076 17952 9916 1 20 . 1 1 101 101 LEU N N 101 120.795 120.795 116.013 4.782 17952 9917 1 20 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.126 -0.028 17952 9918 1 20 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.930 0.305 17952 9919 1 20 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.040 0.469 17952 9920 1 20 . 1 1 101 101 LEU H H 101 8.961 8.961 8.356 0.605 17952 9921 1 20 . 1 1 102 102 SER N N 102 115.314 115.314 115.398 -0.084 17952 9922 1 20 . 1 1 102 102 SER HA H 102 4.123 4.123 4.160 -0.037 17952 9923 1 20 . 1 1 102 102 SER CB C 102 62.761 62.761 62.870 -0.109 17952 9924 1 20 . 1 1 102 102 SER H H 102 8.459 8.459 8.082 0.377 17952 9925 1 20 . 1 1 103 103 GLU N N 103 122.468 122.468 120.808 1.660 17952 9926 1 20 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.152 -0.022 17952 9927 1 20 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.432 1.036 17952 9928 1 20 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.488 0.040 17952 9929 1 20 . 1 1 103 103 GLU H H 103 8.492 8.492 7.960 0.532 17952 9930 1 20 . 1 1 104 104 ALA N N 104 123.159 123.159 122.229 0.930 17952 9931 1 20 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.121 -0.031 17952 9932 1 20 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.765 0.477 17952 9933 1 20 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.281 -0.454 17952 9934 1 20 . 1 1 104 104 ALA H H 104 8.074 8.074 8.473 -0.399 17952 9935 1 20 . 1 1 105 105 LEU N N 105 116.602 116.602 119.478 -2.876 17952 9936 1 20 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.922 -0.370 17952 9937 1 20 . 1 1 105 105 LEU CA C 105 58.404 58.404 58.157 0.247 17952 9938 1 20 . 1 1 105 105 LEU CB C 105 41.619 41.619 42.053 -0.434 17952 9939 1 20 . 1 1 105 105 LEU H H 105 8.318 8.318 7.736 0.582 17952 9940 1 20 . 1 1 106 106 GLU N N 106 117.564 117.564 118.023 -0.459 17952 9941 1 20 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.238 -0.006 17952 9942 1 20 . 1 1 106 106 GLU CA C 106 60.416 60.416 58.990 1.426 17952 9943 1 20 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.904 0.021 17952 9944 1 20 . 1 1 106 106 GLU H H 106 8.009 8.009 7.999 0.010 17952 9945 1 20 . 1 1 107 107 LYS N N 107 117.286 117.286 120.182 -2.896 17952 9946 1 20 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.163 -0.189 17952 9947 1 20 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.500 1.407 17952 9948 1 20 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.858 0.523 17952 9949 1 20 . 1 1 107 107 LYS H H 107 7.787 7.787 7.520 0.267 17952 9950 1 20 . 1 1 108 108 LEU N N 108 120.504 120.504 116.742 3.762 17952 9951 1 20 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.454 -0.475 17952 9952 1 20 . 1 1 108 108 LEU CA C 108 57.817 57.817 58.131 -0.314 17952 9953 1 20 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.231 1.069 17952 9954 1 20 . 1 1 108 108 LEU H H 108 7.875 7.875 7.717 0.158 17952 9955 1 20 . 1 1 109 109 TRP N N 109 120.547 120.547 122.425 -1.878 17952 9956 1 20 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.653 -0.766 17952 9957 1 20 . 1 1 109 109 TRP CB C 109 30.763 30.763 30.012 0.751 17952 9958 1 20 . 1 1 109 109 TRP H H 109 9.048 9.048 8.144 0.904 17952 9959 1 20 . 1 1 110 110 ARG N N 110 117.678 117.678 117.394 0.284 17952 9960 1 20 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.581 0.493 17952 9961 1 20 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.092 1.151 17952 9962 1 20 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.829 -0.188 17952 9963 1 20 . 1 1 110 110 ARG H H 110 8.425 8.425 8.043 0.382 17952 9964 1 20 . 1 1 111 111 ARG N N 111 121.156 121.156 119.109 2.047 17952 9965 1 20 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.088 0.087 17952 9966 1 20 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.348 0.720 17952 9967 1 20 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.915 -0.845 17952 9968 1 20 . 1 1 111 111 ARG H H 111 8.100 8.100 7.847 0.253 17952 9969 1 20 . 1 1 112 112 HIS N N 112 118.118 118.118 117.206 0.912 17952 9970 1 20 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.405 -0.102 17952 9971 1 20 . 1 1 112 112 HIS CA C 112 61.535 61.535 59.005 2.530 17952 9972 1 20 . 1 1 112 112 HIS CB C 112 31.917 31.917 31.227 0.690 17952 9973 1 20 . 1 1 112 112 HIS H H 112 8.250 8.250 7.855 0.395 17952 9974 1 20 . 1 1 113 113 CYS N N 113 117.579 117.579 119.436 -1.857 17952 9975 1 20 . 1 1 113 113 CYS HA H 113 4.264 4.264 3.715 0.549 17952 9976 1 20 . 1 1 113 113 CYS CA C 113 64.136 64.136 62.577 1.559 17952 9977 1 20 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.346 -0.561 17952 9978 1 20 . 1 1 113 113 CYS H H 113 8.181 8.181 8.212 -0.031 17952 9979 1 20 . 1 1 114 114 ARG N N 114 120.172 120.172 116.354 3.818 17952 9980 1 20 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.306 -0.159 17952 9981 1 20 . 1 1 114 114 ARG CA C 114 59.050 59.050 55.621 3.429 17952 9982 1 20 . 1 1 114 114 ARG CB C 114 29.818 29.818 28.986 0.832 17952 9983 1 20 . 1 1 114 114 ARG H H 114 7.870 7.870 7.563 0.307 17952 9984 1 20 . 1 1 115 115 LEU N N 115 120.720 120.720 120.645 0.075 17952 9985 1 20 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.275 -0.158 17952 9986 1 20 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.250 1.112 17952 9987 1 20 . 1 1 115 115 LEU CB C 115 41.902 41.902 42.371 -0.469 17952 9988 1 20 . 1 1 115 115 LEU H H 115 8.690 8.690 7.439 1.251 17952 9989 1 20 . 1 1 116 116 ALA N N 116 119.118 119.118 120.678 -1.560 17952 9990 1 20 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.120 0.247 17952 9991 1 20 . 1 1 116 116 ALA CB C 116 19.088 19.088 19.325 -0.237 17952 9992 1 20 . 1 1 116 116 ALA H H 116 7.751 7.751 8.197 -0.446 17952 9993 1 20 . 1 1 117 117 ARG N N 117 117.010 117.010 120.010 -3.000 17952 9994 1 20 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.495 -0.107 17952 9995 1 20 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.038 2.007 17952 9996 1 20 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.158 0.700 17952 9997 1 20 . 1 1 117 117 ARG H H 117 7.602 7.602 7.492 0.110 17952 9998 1 20 . 1 1 118 118 GLY N N 118 108.836 108.836 110.401 -1.565 17952 9999 1 20 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.177 0.389 17952 10000 1 20 . 1 1 118 118 GLY H H 118 8.087 8.087 8.056 0.031 17952 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 106 3.185 0.961 3.051 17952 2 1 1 "Average Difference" HA 108 0.398 -0.020 0.400 17952 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17952 4 1 1 "Average Difference" CA 92 1.157 -0.506 1.046 17952 5 1 1 "Average Difference" CB 100 1.451 -0.453 1.385 17952 6 1 1 "Average Difference" HN 106 0.617 -0.156 0.600 17952 7 1 2 "Average Difference" N 106 3.112 0.437 3.096 17952 8 1 2 "Average Difference" HA 108 0.447 -0.011 0.449 17952 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17952 10 1 2 "Average Difference" CA 92 1.250 -0.543 1.132 17952 11 1 2 "Average Difference" CB 100 1.491 -0.293 1.469 17952 12 1 2 "Average Difference" HN 106 0.637 -0.143 0.624 17952 13 1 3 "Average Difference" N 106 3.391 0.686 3.337 17952 14 1 3 "Average Difference" HA 108 0.417 0.011 0.418 17952 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17952 16 1 3 "Average Difference" CA 92 1.301 -0.695 1.106 17952 17 1 3 "Average Difference" CB 100 1.404 -0.110 1.406 17952 18 1 3 "Average Difference" HN 106 0.658 -0.079 0.656 17952 19 1 4 "Average Difference" N 106 3.135 0.642 3.083 17952 20 1 4 "Average Difference" HA 108 0.455 -0.001 0.457 17952 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17952 22 1 4 "Average Difference" CA 92 1.261 -0.569 1.131 17952 23 1 4 "Average Difference" CB 100 1.415 -0.289 1.392 17952 24 1 4 "Average Difference" HN 106 0.604 -0.105 0.597 17952 25 1 5 "Average Difference" N 106 3.389 0.940 3.272 17952 26 1 5 "Average Difference" HA 108 0.428 -0.012 0.430 17952 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17952 28 1 5 "Average Difference" CA 92 1.156 -0.643 0.965 17952 29 1 5 "Average Difference" CB 100 1.353 -0.277 1.330 17952 30 1 5 "Average Difference" HN 106 0.572 -0.084 0.569 17952 31 1 6 "Average Difference" N 106 3.335 0.656 3.286 17952 32 1 6 "Average Difference" HA 108 0.436 -0.005 0.438 17952 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17952 34 1 6 "Average Difference" CA 92 1.284 -0.518 1.181 17952 35 1 6 "Average Difference" CB 100 1.456 -0.186 1.452 17952 36 1 6 "Average Difference" HN 106 0.623 -0.098 0.618 17952 37 1 7 "Average Difference" N 106 3.595 0.953 3.483 17952 38 1 7 "Average Difference" HA 108 0.419 0.023 0.421 17952 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17952 40 1 7 "Average Difference" CA 92 1.496 -0.789 1.278 17952 41 1 7 "Average Difference" CB 100 1.455 -0.334 1.424 17952 42 1 7 "Average Difference" HN 106 0.610 -0.123 0.600 17952 43 1 8 "Average Difference" N 106 3.255 0.717 3.191 17952 44 1 8 "Average Difference" HA 108 0.447 0.002 0.449 17952 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17952 46 1 8 "Average Difference" CA 92 1.414 -0.693 1.239 17952 47 1 8 "Average Difference" CB 100 1.406 -0.254 1.389 17952 48 1 8 "Average Difference" HN 106 0.641 -0.049 0.642 17952 49 1 9 "Average Difference" N 106 3.480 0.867 3.387 17952 50 1 9 "Average Difference" HA 108 0.408 0.023 0.410 17952 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17952 52 1 9 "Average Difference" CA 92 1.288 -0.649 1.118 17952 53 1 9 "Average Difference" CB 100 1.403 -0.201 1.395 17952 54 1 9 "Average Difference" HN 106 0.598 -0.084 0.595 17952 55 1 10 "Average Difference" N 106 3.115 0.707 3.048 17952 56 1 10 "Average Difference" HA 108 0.448 -0.030 0.449 17952 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17952 58 1 10 "Average Difference" CA 92 1.130 -0.588 0.970 17952 59 1 10 "Average Difference" CB 100 1.540 -0.429 1.487 17952 60 1 10 "Average Difference" HN 106 0.571 -0.146 0.554 17952 61 1 11 "Average Difference" N 106 3.270 0.867 3.168 17952 62 1 11 "Average Difference" HA 108 0.468 -0.000 0.470 17952 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17952 64 1 11 "Average Difference" CA 92 1.249 -0.558 1.124 17952 65 1 11 "Average Difference" CB 100 1.683 -0.303 1.663 17952 66 1 11 "Average Difference" HN 106 0.659 -0.093 0.655 17952 67 1 12 "Average Difference" N 106 3.099 0.786 3.012 17952 68 1 12 "Average Difference" HA 108 0.464 -0.075 0.460 17952 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17952 70 1 12 "Average Difference" CA 92 1.115 -0.368 1.058 17952 71 1 12 "Average Difference" CB 100 1.578 -0.490 1.507 17952 72 1 12 "Average Difference" HN 106 0.608 -0.187 0.581 17952 73 1 13 "Average Difference" N 106 3.073 0.701 3.007 17952 74 1 13 "Average Difference" HA 108 0.465 -0.050 0.464 17952 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17952 76 1 13 "Average Difference" CA 92 1.166 -0.461 1.077 17952 77 1 13 "Average Difference" CB 100 1.750 -0.293 1.734 17952 78 1 13 "Average Difference" HN 106 0.643 -0.110 0.636 17952 79 1 14 "Average Difference" N 106 3.390 0.751 3.321 17952 80 1 14 "Average Difference" HA 108 0.438 0.016 0.439 17952 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17952 82 1 14 "Average Difference" CA 92 1.426 -0.713 1.241 17952 83 1 14 "Average Difference" CB 100 1.561 -0.415 1.512 17952 84 1 14 "Average Difference" HN 106 0.563 -0.143 0.547 17952 85 1 15 "Average Difference" N 106 3.202 0.486 3.180 17952 86 1 15 "Average Difference" HA 108 0.434 -0.033 0.435 17952 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17952 88 1 15 "Average Difference" CA 92 1.358 -0.573 1.237 17952 89 1 15 "Average Difference" CB 100 1.637 -0.342 1.609 17952 90 1 15 "Average Difference" HN 106 0.659 -0.143 0.646 17952 91 1 16 "Average Difference" N 106 3.262 0.662 3.209 17952 92 1 16 "Average Difference" HA 108 0.460 -0.019 0.462 17952 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17952 94 1 16 "Average Difference" CA 92 1.300 -0.561 1.179 17952 95 1 16 "Average Difference" CB 100 1.461 -0.348 1.426 17952 96 1 16 "Average Difference" HN 106 0.639 -0.181 0.616 17952 97 1 17 "Average Difference" N 106 3.206 0.696 3.144 17952 98 1 17 "Average Difference" HA 108 0.470 -0.031 0.471 17952 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17952 100 1 17 "Average Difference" CA 92 1.321 -0.592 1.187 17952 101 1 17 "Average Difference" CB 100 1.544 -0.361 1.509 17952 102 1 17 "Average Difference" HN 106 0.651 -0.138 0.639 17952 103 1 18 "Average Difference" N 106 3.482 0.918 3.374 17952 104 1 18 "Average Difference" HA 108 0.473 -0.008 0.475 17952 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17952 106 1 18 "Average Difference" CA 92 1.291 -0.623 1.137 17952 107 1 18 "Average Difference" CB 100 1.528 -0.302 1.505 17952 108 1 18 "Average Difference" HN 106 0.591 -0.118 0.581 17952 109 1 19 "Average Difference" N 106 2.958 0.646 2.900 17952 110 1 19 "Average Difference" HA 108 0.425 -0.013 0.427 17952 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17952 112 1 19 "Average Difference" CA 92 1.295 -0.598 1.155 17952 113 1 19 "Average Difference" CB 100 1.543 -0.195 1.539 17952 114 1 19 "Average Difference" HN 106 0.649 -0.050 0.650 17952 115 1 20 "Average Difference" N 106 3.188 0.702 3.125 17952 116 1 20 "Average Difference" HA 108 0.445 0.006 0.447 17952 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17952 118 1 20 "Average Difference" CA 92 1.314 -0.640 1.154 17952 119 1 20 "Average Difference" CB 100 1.396 -0.205 1.388 17952 120 1 20 "Average Difference" HN 106 0.644 -0.089 0.641 17952 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 17952 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 LYS CA C 3 56.191 56.191 55.890 0.301 17952 2 1 . 1 1 3 3 LYS CB C 3 32.966 32.966 33.423 -0.457 17952 3 1 . 1 1 4 4 LEU N N 4 125.667 125.667 122.707 2.960 17952 4 1 . 1 1 4 4 LEU HA H 4 4.387 4.387 4.273 0.114 17952 5 1 . 1 1 4 4 LEU CA C 4 54.667 54.667 55.033 -0.366 17952 6 1 . 1 1 4 4 LEU CB C 4 42.618 42.618 41.769 0.849 17952 7 1 . 1 1 4 4 LEU H H 4 8.498 8.498 8.359 0.139 17952 8 1 . 1 1 5 5 ALA N N 5 126.419 126.419 122.678 3.741 17952 9 1 . 1 1 5 5 ALA HA H 5 4.371 4.371 4.379 -0.008 17952 10 1 . 1 1 5 5 ALA CB C 5 19.337 19.337 19.691 -0.354 17952 11 1 . 1 1 5 5 ALA H H 5 8.435 8.435 7.733 0.702 17952 12 1 . 1 1 6 6 PHE N N 6 124.718 124.718 121.565 3.153 17952 13 1 . 1 1 6 6 PHE H H 6 8.714 8.714 8.108 0.606 17952 14 1 . 1 1 7 7 PRO HA H 7 4.236 4.236 4.475 -0.239 17952 15 1 . 1 1 7 7 PRO CA C 7 63.736 63.736 63.384 0.352 17952 16 1 . 1 1 7 7 PRO CB C 7 32.402 32.402 32.096 0.306 17952 17 1 . 1 1 8 8 ARG N N 8 124.351 124.351 120.130 4.221 17952 18 1 . 1 1 8 8 ARG HA H 8 3.784 3.784 4.248 -0.464 17952 19 1 . 1 1 8 8 ARG CA C 8 59.972 59.972 57.923 2.049 17952 20 1 . 1 1 8 8 ARG CB C 8 30.256 30.256 29.592 0.665 17952 21 1 . 1 1 8 8 ARG H H 8 8.650 8.650 8.605 0.045 17952 22 1 . 1 1 9 9 GLU N N 9 117.015 117.015 119.661 -2.646 17952 23 1 . 1 1 9 9 GLU HA H 9 4.241 4.241 4.267 -0.026 17952 24 1 . 1 1 9 9 GLU CA C 9 58.536 58.536 57.657 0.879 17952 25 1 . 1 1 9 9 GLU CB C 9 28.286 28.286 29.352 -1.066 17952 26 1 . 1 1 9 9 GLU H H 9 9.522 9.522 8.226 1.296 17952 27 1 . 1 1 10 10 LEU N N 10 116.269 116.269 119.991 -3.722 17952 28 1 . 1 1 10 10 LEU HA H 10 4.682 4.682 4.339 0.343 17952 29 1 . 1 1 10 10 LEU CA C 10 54.324 54.324 55.604 -1.280 17952 30 1 . 1 1 10 10 LEU CB C 10 42.305 42.305 42.442 -0.137 17952 31 1 . 1 1 10 10 LEU H H 10 7.285 7.285 7.691 -0.406 17952 32 1 . 1 1 11 11 ARG N N 11 116.982 116.982 118.750 -1.768 17952 33 1 . 1 1 11 11 ARG HA H 11 5.045 5.045 4.366 0.679 17952 34 1 . 1 1 11 11 ARG CA C 11 55.671 55.671 55.750 -0.079 17952 35 1 . 1 1 11 11 ARG CB C 11 32.827 32.827 30.971 1.856 17952 36 1 . 1 1 11 11 ARG H H 11 7.618 7.618 7.738 -0.120 17952 37 1 . 1 1 12 12 LEU N N 12 119.127 119.127 123.079 -3.952 17952 38 1 . 1 1 12 12 LEU HA H 12 4.329 4.329 4.492 -0.163 17952 39 1 . 1 1 12 12 LEU CA C 12 54.115 54.115 54.350 -0.235 17952 40 1 . 1 1 12 12 LEU CB C 12 41.683 41.683 42.178 -0.495 17952 41 1 . 1 1 12 12 LEU H H 12 7.289 7.289 8.248 -0.959 17952 42 1 . 1 1 13 13 LEU N N 13 123.181 123.181 124.667 -1.486 17952 43 1 . 1 1 13 13 LEU HA H 13 4.747 4.747 4.563 0.184 17952 44 1 . 1 1 13 13 LEU CA C 13 56.190 56.190 54.733 1.457 17952 45 1 . 1 1 13 13 LEU CB C 13 46.234 46.234 42.286 3.948 17952 46 1 . 1 1 13 13 LEU H H 13 8.816 8.816 8.335 0.481 17952 47 1 . 1 1 14 14 THR N N 14 111.810 111.810 115.780 -3.970 17952 48 1 . 1 1 14 14 THR HA H 14 5.104 5.104 4.570 0.534 17952 49 1 . 1 1 14 14 THR H H 14 8.321 8.321 8.177 0.144 17952 50 1 . 1 1 16 16 SER HA H 16 4.282 4.282 4.599 -0.317 17952 51 1 . 1 1 16 16 SER CB C 16 62.228 62.228 63.953 -1.725 17952 52 1 . 1 1 17 17 GLN N N 17 122.336 122.336 126.313 -3.977 17952 53 1 . 1 1 17 17 GLN HA H 17 4.078 4.078 4.148 -0.070 17952 54 1 . 1 1 17 17 GLN CA C 17 58.122 58.122 58.593 -0.471 17952 55 1 . 1 1 17 17 GLN CB C 17 29.103 29.103 28.529 0.575 17952 56 1 . 1 1 17 17 GLN H H 17 7.967 7.967 8.857 -0.890 17952 57 1 . 1 1 18 18 PHE N N 18 119.658 119.658 118.803 0.855 17952 58 1 . 1 1 18 18 PHE CA C 18 61.640 61.640 61.086 0.554 17952 59 1 . 1 1 18 18 PHE CB C 18 38.490 38.490 38.698 -0.207 17952 60 1 . 1 1 18 18 PHE H H 18 7.733 7.733 8.188 -0.455 17952 61 1 . 1 1 19 19 THR N N 19 116.141 116.141 114.905 1.236 17952 62 1 . 1 1 19 19 THR HA H 19 3.911 3.911 4.177 -0.266 17952 63 1 . 1 1 19 19 THR CA C 19 67.058 67.058 65.347 1.711 17952 64 1 . 1 1 19 19 THR CB C 19 68.790 68.790 68.911 -0.121 17952 65 1 . 1 1 19 19 THR H H 19 8.622 8.622 7.859 0.763 17952 66 1 . 1 1 20 20 PHE N N 20 119.904 119.904 122.433 -2.529 17952 67 1 . 1 1 20 20 PHE HA H 20 4.149 4.149 4.402 -0.253 17952 68 1 . 1 1 20 20 PHE CB C 20 39.260 39.260 39.688 -0.428 17952 69 1 . 1 1 20 20 PHE H H 20 7.728 7.728 7.931 -0.203 17952 70 1 . 1 1 21 21 VAL N N 21 117.896 117.896 116.993 0.903 17952 71 1 . 1 1 21 21 VAL HA H 21 3.082 3.082 3.850 -0.768 17952 72 1 . 1 1 21 21 VAL CA C 21 66.336 66.336 64.384 1.952 17952 73 1 . 1 1 21 21 VAL CB C 21 31.589 31.589 31.356 0.233 17952 74 1 . 1 1 21 21 VAL H H 21 6.861 6.861 8.290 -1.429 17952 75 1 . 1 1 22 22 PHE N N 22 114.352 114.352 118.881 -4.529 17952 76 1 . 1 1 22 22 PHE HA H 22 4.011 4.011 4.301 -0.290 17952 77 1 . 1 1 22 22 PHE CB C 22 38.585 38.585 39.145 -0.560 17952 78 1 . 1 1 22 22 PHE H H 22 7.653 7.653 7.685 -0.032 17952 79 1 . 1 1 23 23 GLN N N 23 116.245 116.245 117.909 -1.664 17952 80 1 . 1 1 23 23 GLN HA H 23 4.033 4.033 3.996 0.037 17952 81 1 . 1 1 23 23 GLN CA C 23 58.415 58.415 57.610 0.805 17952 82 1 . 1 1 23 23 GLN CB C 23 28.950 28.950 29.042 -0.092 17952 83 1 . 1 1 23 23 GLN H H 23 7.928 7.928 7.610 0.319 17952 84 1 . 1 1 24 24 GLN N N 24 114.087 114.087 117.076 -2.989 17952 85 1 . 1 1 24 24 GLN HA H 24 4.425 4.425 4.674 -0.249 17952 86 1 . 1 1 24 24 GLN CA C 24 54.691 54.691 53.411 1.280 17952 87 1 . 1 1 24 24 GLN CB C 24 29.457 29.457 30.288 -0.831 17952 88 1 . 1 1 24 24 GLN H H 24 6.731 6.731 7.769 -1.038 17952 89 1 . 1 1 25 25 PRO HA H 25 5.028 5.028 4.709 0.319 17952 90 1 . 1 1 25 25 PRO CA C 25 63.179 63.179 62.007 1.172 17952 91 1 . 1 1 25 25 PRO CB C 25 32.577 32.577 32.818 -0.241 17952 92 1 . 1 1 26 26 GLN N N 26 120.107 120.107 122.291 -2.184 17952 93 1 . 1 1 26 26 GLN CA C 26 55.279 55.279 54.745 0.534 17952 94 1 . 1 1 26 26 GLN CB C 26 30.556 30.556 29.285 1.271 17952 95 1 . 1 1 26 26 GLN H H 26 9.622 9.622 8.500 1.122 17952 96 1 . 1 1 27 27 ARG N N 27 125.712 125.712 127.001 -1.288 17952 97 1 . 1 1 27 27 ARG HA H 27 5.220 5.220 4.436 0.784 17952 98 1 . 1 1 27 27 ARG CA C 27 56.125 56.125 55.654 0.471 17952 99 1 . 1 1 27 27 ARG CB C 27 34.641 34.641 29.822 4.819 17952 100 1 . 1 1 27 27 ARG H H 27 9.068 9.068 8.688 0.380 17952 101 1 . 1 1 28 28 ALA N N 28 123.402 123.402 128.898 -5.496 17952 102 1 . 1 1 28 28 ALA HA H 28 4.514 4.514 4.733 -0.219 17952 103 1 . 1 1 28 28 ALA CB C 28 21.919 21.919 21.495 0.424 17952 104 1 . 1 1 28 28 ALA H H 28 8.102 8.102 8.475 -0.373 17952 105 1 . 1 1 29 29 GLY N N 29 109.532 109.532 108.753 0.779 17952 106 1 . 1 1 29 29 GLY CA C 29 46.884 46.884 45.151 1.733 17952 107 1 . 1 1 29 29 GLY H H 29 8.572 8.572 8.286 0.286 17952 108 1 . 1 1 30 30 THR N N 30 113.168 113.168 113.278 -0.110 17952 109 1 . 1 1 30 30 THR HA H 30 4.953 4.953 4.863 0.090 17952 110 1 . 1 1 30 30 THR H H 30 9.199 9.199 8.365 0.834 17952 111 1 . 1 1 31 31 PRO HA H 31 4.297 4.297 4.417 -0.120 17952 112 1 . 1 1 31 31 PRO CA C 31 65.511 65.511 64.986 0.525 17952 113 1 . 1 1 31 31 PRO CB C 31 30.983 30.983 32.045 -1.062 17952 114 1 . 1 1 32 32 GLN N N 32 110.281 110.281 115.580 -5.299 17952 115 1 . 1 1 32 32 GLN HA H 32 4.195 4.195 4.289 -0.094 17952 116 1 . 1 1 32 32 GLN CA C 32 58.478 58.478 57.179 1.299 17952 117 1 . 1 1 32 32 GLN CB C 32 28.996 28.996 29.495 -0.499 17952 118 1 . 1 1 32 32 GLN H H 32 7.403 7.403 8.151 -0.748 17952 119 1 . 1 1 33 33 ILE N N 33 118.254 118.254 118.842 -0.588 17952 120 1 . 1 1 33 33 ILE CA C 33 60.240 60.240 60.029 0.211 17952 121 1 . 1 1 33 33 ILE CB C 33 42.791 42.791 39.936 2.855 17952 122 1 . 1 1 33 33 ILE H H 33 7.353 7.353 7.758 -0.405 17952 123 1 . 1 1 34 34 THR N N 34 122.650 122.650 126.365 -3.715 17952 124 1 . 1 1 34 34 THR HA H 34 4.946 4.946 4.847 0.099 17952 125 1 . 1 1 34 34 THR CA C 34 61.792 61.792 61.968 -0.176 17952 126 1 . 1 1 34 34 THR CB C 34 71.752 71.752 69.657 2.095 17952 127 1 . 1 1 34 34 THR H H 34 8.787 8.787 8.900 -0.113 17952 128 1 . 1 1 35 35 ILE N N 35 123.778 123.778 128.610 -4.832 17952 129 1 . 1 1 35 35 ILE HA H 35 5.161 5.161 4.481 0.680 17952 130 1 . 1 1 35 35 ILE CA C 35 61.713 61.713 60.922 0.791 17952 131 1 . 1 1 35 35 ILE CB C 35 40.043 40.043 38.379 1.664 17952 132 1 . 1 1 35 35 ILE H H 35 9.109 9.109 8.894 0.215 17952 133 1 . 1 1 36 36 LEU N N 36 132.558 132.558 128.735 3.823 17952 134 1 . 1 1 36 36 LEU HA H 36 5.634 5.634 5.165 0.469 17952 135 1 . 1 1 36 36 LEU CA C 36 53.244 53.244 53.452 -0.208 17952 136 1 . 1 1 36 36 LEU CB C 36 44.498 44.498 42.901 1.597 17952 137 1 . 1 1 36 36 LEU H H 36 9.500 9.500 8.903 0.597 17952 138 1 . 1 1 37 37 GLY N N 37 106.940 106.940 109.868 -2.928 17952 139 1 . 1 1 37 37 GLY CA C 37 45.258 45.258 44.672 0.586 17952 140 1 . 1 1 37 37 GLY H H 37 9.058 9.058 8.246 0.812 17952 141 1 . 1 1 38 38 ARG N N 38 121.378 121.378 122.458 -1.080 17952 142 1 . 1 1 38 38 ARG HA H 38 4.652 4.652 4.712 -0.060 17952 143 1 . 1 1 38 38 ARG CA C 38 56.285 56.285 55.115 1.170 17952 144 1 . 1 1 38 38 ARG CB C 38 35.176 35.176 33.140 2.036 17952 145 1 . 1 1 38 38 ARG H H 38 8.384 8.384 8.458 -0.074 17952 146 1 . 1 1 39 39 LEU N N 39 129.596 129.596 123.179 6.417 17952 147 1 . 1 1 39 39 LEU CB C 39 42.472 42.472 42.134 0.338 17952 148 1 . 1 1 39 39 LEU H H 39 9.030 9.030 8.414 0.616 17952 149 1 . 1 1 40 40 ASN N N 40 119.921 119.921 121.493 -1.572 17952 150 1 . 1 1 40 40 ASN CA C 40 51.546 51.546 52.639 -1.093 17952 151 1 . 1 1 40 40 ASN CB C 40 41.088 41.088 40.730 0.358 17952 152 1 . 1 1 40 40 ASN H H 40 8.186 8.186 8.152 0.034 17952 153 1 . 1 1 41 41 SER N N 41 112.600 112.600 118.139 -5.539 17952 154 1 . 1 1 41 41 SER HA H 41 4.484 4.484 4.516 -0.032 17952 155 1 . 1 1 41 41 SER CB C 41 62.949 62.949 62.567 0.382 17952 156 1 . 1 1 41 41 SER H H 41 8.646 8.646 8.619 0.027 17952 157 1 . 1 1 42 42 LEU N N 42 120.612 120.612 124.319 -3.707 17952 158 1 . 1 1 42 42 LEU HA H 42 4.334 4.334 4.428 -0.094 17952 159 1 . 1 1 42 42 LEU CA C 42 54.828 54.828 55.131 -0.303 17952 160 1 . 1 1 42 42 LEU CB C 42 43.713 43.713 42.547 1.166 17952 161 1 . 1 1 42 42 LEU H H 42 8.538 8.538 8.091 0.447 17952 162 1 . 1 1 43 43 GLY N N 43 105.922 105.922 107.380 -1.458 17952 163 1 . 1 1 43 43 GLY CA C 43 45.271 45.271 45.456 -0.185 17952 164 1 . 1 1 43 43 GLY H H 43 8.317 8.317 8.105 0.212 17952 165 1 . 1 1 44 44 HIS N N 44 114.144 114.144 119.768 -5.624 17952 166 1 . 1 1 44 44 HIS HA H 44 5.065 5.065 4.847 0.218 17952 167 1 . 1 1 44 44 HIS H H 44 7.145 7.145 7.948 -0.803 17952 168 1 . 1 1 45 45 PRO HA H 45 5.403 5.403 4.720 0.683 17952 169 1 . 1 1 45 45 PRO CA C 45 62.561 62.561 62.800 -0.239 17952 170 1 . 1 1 45 45 PRO CB C 45 33.097 33.097 31.902 1.195 17952 171 1 . 1 1 46 46 ARG N N 46 116.294 116.294 123.569 -7.275 17952 172 1 . 1 1 46 46 ARG HA H 46 5.156 5.156 4.613 0.543 17952 173 1 . 1 1 46 46 ARG CA C 46 56.154 56.154 54.463 1.691 17952 174 1 . 1 1 46 46 ARG CB C 46 37.970 37.970 32.824 5.146 17952 175 1 . 1 1 46 46 ARG H H 46 8.919 8.919 8.313 0.606 17952 176 1 . 1 1 47 47 ILE N N 47 117.069 117.069 124.658 -7.589 17952 177 1 . 1 1 47 47 ILE HA H 47 5.684 5.684 4.131 1.553 17952 178 1 . 1 1 47 47 ILE CA C 47 58.820 58.820 60.147 -1.327 17952 179 1 . 1 1 47 47 ILE CB C 47 41.712 41.712 39.076 2.636 17952 180 1 . 1 1 47 47 ILE H H 47 9.106 9.106 8.516 0.590 17952 181 1 . 1 1 48 48 GLY N N 48 116.903 116.903 117.882 -0.979 17952 182 1 . 1 1 48 48 GLY CA C 48 44.529 44.529 44.201 0.328 17952 183 1 . 1 1 48 48 GLY H H 48 9.276 9.276 8.774 0.502 17952 184 1 . 1 1 49 49 LEU N N 49 123.729 123.729 126.372 -2.643 17952 185 1 . 1 1 49 49 LEU HA H 49 5.441 5.441 4.719 0.722 17952 186 1 . 1 1 49 49 LEU CA C 49 54.362 54.362 54.737 -0.375 17952 187 1 . 1 1 49 49 LEU CB C 49 45.545 45.545 42.642 2.903 17952 188 1 . 1 1 49 49 LEU H H 49 8.957 8.957 7.980 0.977 17952 189 1 . 1 1 50 50 THR N N 50 120.870 120.870 125.431 -4.561 17952 190 1 . 1 1 50 50 THR HA H 50 4.616 4.616 4.569 0.047 17952 191 1 . 1 1 50 50 THR H H 50 9.419 9.419 9.144 0.275 17952 192 1 . 1 1 51 51 VAL HA H 51 4.356 4.356 4.341 0.015 17952 193 1 . 1 1 51 51 VAL CA C 51 60.110 60.110 60.238 -0.128 17952 194 1 . 1 1 51 51 VAL CB C 51 32.291 32.291 33.547 -1.256 17952 195 1 . 1 1 52 52 ALA N N 52 129.415 129.415 129.875 -0.460 17952 196 1 . 1 1 52 52 ALA CB C 52 19.312 19.312 20.619 -1.307 17952 197 1 . 1 1 52 52 ALA H H 52 9.046 9.046 8.527 0.519 17952 198 1 . 1 1 53 53 LYS N N 53 125.023 125.023 120.729 4.294 17952 199 1 . 1 1 53 53 LYS HA H 53 4.089 4.089 4.243 -0.154 17952 200 1 . 1 1 53 53 LYS CA C 53 58.735 58.735 57.830 0.905 17952 201 1 . 1 1 53 53 LYS CB C 53 32.096 32.096 31.964 0.132 17952 202 1 . 1 1 53 53 LYS H H 53 8.811 8.811 8.664 0.147 17952 203 1 . 1 1 54 54 LYS N N 54 114.126 114.126 115.745 -1.619 17952 204 1 . 1 1 54 54 LYS HA H 54 4.041 4.041 4.323 -0.282 17952 205 1 . 1 1 54 54 LYS CA C 54 57.953 57.953 57.412 0.541 17952 206 1 . 1 1 54 54 LYS CB C 54 31.930 31.930 32.385 -0.455 17952 207 1 . 1 1 54 54 LYS H H 54 8.073 8.073 8.101 -0.028 17952 208 1 . 1 1 55 55 ASN N N 55 115.234 115.234 117.462 -2.228 17952 209 1 . 1 1 55 55 ASN HA H 55 4.858 4.858 4.774 0.084 17952 210 1 . 1 1 55 55 ASN CA C 55 53.777 53.777 54.522 -0.745 17952 211 1 . 1 1 55 55 ASN CB C 55 39.529 39.529 40.021 -0.492 17952 212 1 . 1 1 55 55 ASN H H 55 7.434 7.434 7.845 -0.411 17952 213 1 . 1 1 56 56 VAL N N 56 121.000 121.000 120.830 0.170 17952 214 1 . 1 1 56 56 VAL HA H 56 4.173 4.173 4.283 -0.110 17952 215 1 . 1 1 56 56 VAL CA C 56 61.761 61.761 61.531 0.230 17952 216 1 . 1 1 56 56 VAL CB C 56 33.033 33.033 32.304 0.729 17952 217 1 . 1 1 56 56 VAL H H 56 7.764 7.764 7.723 0.041 17952 218 1 . 1 1 57 57 ARG N N 57 125.781 125.781 126.244 -0.463 17952 219 1 . 1 1 57 57 ARG HA H 57 4.200 4.200 4.360 -0.160 17952 220 1 . 1 1 57 57 ARG CA C 57 58.646 58.646 56.931 1.715 17952 221 1 . 1 1 57 57 ARG CB C 57 31.004 31.004 30.618 0.386 17952 222 1 . 1 1 57 57 ARG H H 57 8.441 8.441 8.541 -0.100 17952 223 1 . 1 1 58 58 ARG N N 58 118.159 118.159 118.963 -0.804 17952 224 1 . 1 1 58 58 ARG HA H 58 4.594 4.594 4.473 0.121 17952 225 1 . 1 1 58 58 ARG H H 58 8.250 8.250 8.008 0.242 17952 226 1 . 1 1 60 60 HIS N N 60 116.957 116.957 116.716 0.241 17952 227 1 . 1 1 60 60 HIS HA H 60 4.435 4.435 4.431 0.004 17952 228 1 . 1 1 60 60 HIS CA C 60 59.605 59.605 58.831 0.774 17952 229 1 . 1 1 60 60 HIS CB C 60 29.947 29.947 29.592 0.355 17952 230 1 . 1 1 60 60 HIS H H 60 7.600 7.600 8.482 -0.882 17952 231 1 . 1 1 61 61 GLU N N 61 119.542 119.542 119.193 0.348 17952 232 1 . 1 1 61 61 GLU HA H 61 4.429 4.429 4.159 0.270 17952 233 1 . 1 1 61 61 GLU CA C 61 57.628 57.628 58.538 -0.910 17952 234 1 . 1 1 61 61 GLU CB C 61 29.805 29.805 28.808 0.997 17952 235 1 . 1 1 61 61 GLU H H 61 6.702 6.702 8.385 -1.683 17952 236 1 . 1 1 62 62 ARG N N 62 120.227 120.227 119.403 0.824 17952 237 1 . 1 1 62 62 ARG HA H 62 3.733 3.733 4.061 -0.328 17952 238 1 . 1 1 62 62 ARG CA C 62 61.531 61.531 59.152 2.379 17952 239 1 . 1 1 62 62 ARG CB C 62 29.612 29.612 29.964 -0.352 17952 240 1 . 1 1 62 62 ARG H H 62 7.951 7.951 7.913 0.038 17952 241 1 . 1 1 63 63 ASN N N 63 116.757 116.757 117.640 -0.883 17952 242 1 . 1 1 63 63 ASN HA H 63 4.434 4.434 4.554 -0.120 17952 243 1 . 1 1 63 63 ASN CA C 63 56.208 56.208 55.644 0.564 17952 244 1 . 1 1 63 63 ASN CB C 63 37.825 37.825 38.212 -0.387 17952 245 1 . 1 1 63 63 ASN H H 63 8.365 8.365 7.903 0.462 17952 246 1 . 1 1 64 64 ARG N N 64 123.093 123.093 120.609 2.484 17952 247 1 . 1 1 64 64 ARG HA H 64 4.056 4.056 4.113 -0.057 17952 248 1 . 1 1 64 64 ARG CA C 64 60.138 60.138 58.920 1.218 17952 249 1 . 1 1 64 64 ARG CB C 64 30.832 30.832 30.006 0.826 17952 250 1 . 1 1 64 64 ARG H H 64 7.770 7.770 7.647 0.123 17952 251 1 . 1 1 65 65 ILE N N 65 117.911 117.911 119.110 -1.199 17952 252 1 . 1 1 65 65 ILE HA H 65 3.525 3.525 3.832 -0.307 17952 253 1 . 1 1 65 65 ILE CA C 65 64.715 64.715 63.481 1.234 17952 254 1 . 1 1 65 65 ILE CB C 65 37.645 37.645 36.865 0.780 17952 255 1 . 1 1 65 65 ILE H H 65 8.121 8.121 7.971 0.150 17952 256 1 . 1 1 66 66 LYS N N 66 122.635 122.635 119.372 3.263 17952 257 1 . 1 1 66 66 LYS HA H 66 3.771 3.771 4.207 -0.436 17952 258 1 . 1 1 66 66 LYS CA C 66 60.935 60.935 59.020 1.915 17952 259 1 . 1 1 66 66 LYS CB C 66 32.424 32.424 32.151 0.273 17952 260 1 . 1 1 66 66 LYS H H 66 8.337 8.337 7.705 0.632 17952 261 1 . 1 1 67 67 ARG N N 67 119.137 119.137 119.594 -0.457 17952 262 1 . 1 1 67 67 ARG HA H 67 4.008 4.008 4.151 -0.143 17952 263 1 . 1 1 67 67 ARG CA C 67 59.989 59.989 58.904 1.085 17952 264 1 . 1 1 67 67 ARG CB C 67 30.035 30.035 30.267 -0.232 17952 265 1 . 1 1 67 67 ARG H H 67 8.257 8.257 7.778 0.479 17952 266 1 . 1 1 68 68 LEU N N 68 119.084 119.084 120.570 -1.486 17952 267 1 . 1 1 68 68 LEU HA H 68 4.108 4.108 4.191 -0.083 17952 268 1 . 1 1 68 68 LEU CA C 68 58.022 58.022 58.142 -0.120 17952 269 1 . 1 1 68 68 LEU CB C 68 41.602 41.602 41.591 0.011 17952 270 1 . 1 1 68 68 LEU H H 68 8.427 8.427 8.128 0.299 17952 271 1 . 1 1 69 69 THR N N 69 118.019 118.019 111.727 6.292 17952 272 1 . 1 1 69 69 THR CA C 69 67.701 67.701 65.577 2.124 17952 273 1 . 1 1 69 69 THR H H 69 8.433 8.433 8.006 0.427 17952 274 1 . 1 1 70 70 ARG N N 70 122.713 122.713 121.343 1.370 17952 275 1 . 1 1 70 70 ARG CA C 70 61.410 61.410 59.010 2.400 17952 276 1 . 1 1 70 70 ARG CB C 70 30.050 30.050 30.173 -0.123 17952 277 1 . 1 1 70 70 ARG H H 70 8.346 8.346 7.947 0.399 17952 278 1 . 1 1 71 71 GLU N N 71 118.890 118.890 118.593 0.297 17952 279 1 . 1 1 71 71 GLU HA H 71 4.266 4.266 4.197 0.069 17952 280 1 . 1 1 71 71 GLU CA C 71 59.481 59.481 58.921 0.560 17952 281 1 . 1 1 71 71 GLU CB C 71 29.316 29.316 29.827 -0.512 17952 282 1 . 1 1 71 71 GLU H H 71 8.334 8.334 7.971 0.363 17952 283 1 . 1 1 72 72 SER N N 72 114.922 114.922 115.559 -0.637 17952 284 1 . 1 1 72 72 SER HA H 72 4.243 4.243 4.250 -0.007 17952 285 1 . 1 1 72 72 SER CA C 72 61.292 61.292 61.319 -0.027 17952 286 1 . 1 1 72 72 SER CB C 72 63.065 63.065 63.226 -0.161 17952 287 1 . 1 1 72 72 SER H H 72 8.205 8.205 7.829 0.376 17952 288 1 . 1 1 73 73 PHE N N 73 122.665 122.665 121.256 1.409 17952 289 1 . 1 1 73 73 PHE HA H 73 3.109 3.109 4.331 -1.222 17952 290 1 . 1 1 73 73 PHE CB C 73 39.535 39.535 38.947 0.588 17952 291 1 . 1 1 73 73 PHE H H 73 7.788 7.788 8.078 -0.290 17952 292 1 . 1 1 74 74 ARG N N 74 119.417 119.417 118.704 0.713 17952 293 1 . 1 1 74 74 ARG HA H 74 3.897 3.897 4.290 -0.393 17952 294 1 . 1 1 74 74 ARG CA C 74 59.201 59.201 57.702 1.499 17952 295 1 . 1 1 74 74 ARG CB C 74 29.981 29.981 30.656 -0.675 17952 296 1 . 1 1 74 74 ARG H H 74 8.580 8.580 7.772 0.808 17952 297 1 . 1 1 75 75 LEU N N 75 117.144 117.144 119.373 -2.229 17952 298 1 . 1 1 75 75 LEU HA H 75 4.096 4.096 4.311 -0.215 17952 299 1 . 1 1 75 75 LEU CA C 75 57.217 57.217 56.032 1.185 17952 300 1 . 1 1 75 75 LEU CB C 75 42.788 42.788 42.577 0.211 17952 301 1 . 1 1 75 75 LEU H H 75 7.903 7.903 7.720 0.183 17952 302 1 . 1 1 76 76 ARG N N 76 113.888 113.888 118.176 -4.288 17952 303 1 . 1 1 76 76 ARG HA H 76 4.423 4.423 4.457 -0.034 17952 304 1 . 1 1 76 76 ARG CA C 76 54.487 54.487 54.516 -0.029 17952 305 1 . 1 1 76 76 ARG CB C 76 31.867 31.867 29.370 2.497 17952 306 1 . 1 1 76 76 ARG H H 76 6.736 6.736 7.639 -0.903 17952 307 1 . 1 1 77 77 GLN N N 77 120.009 120.009 119.345 0.664 17952 308 1 . 1 1 77 77 GLN CA C 77 60.256 60.256 57.802 2.454 17952 309 1 . 1 1 77 77 GLN CB C 77 28.588 28.588 28.055 0.533 17952 310 1 . 1 1 77 77 GLN H H 77 7.273 7.273 7.940 -0.667 17952 311 1 . 1 1 78 78 HIS N N 78 114.954 114.954 117.243 -2.289 17952 312 1 . 1 1 78 78 HIS HA H 78 4.445 4.445 4.592 -0.147 17952 313 1 . 1 1 78 78 HIS CA C 78 57.800 57.800 57.313 0.487 17952 314 1 . 1 1 78 78 HIS CB C 78 29.402 29.402 30.084 -0.682 17952 315 1 . 1 1 78 78 HIS H H 78 8.389 8.389 8.219 0.170 17952 316 1 . 1 1 79 79 GLU N N 79 118.231 118.231 118.612 -0.381 17952 317 1 . 1 1 79 79 GLU HA H 79 4.407 4.407 4.421 -0.014 17952 318 1 . 1 1 79 79 GLU CA C 79 55.392 55.392 56.391 -0.999 17952 319 1 . 1 1 79 79 GLU CB C 79 31.296 31.296 30.426 0.870 17952 320 1 . 1 1 79 79 GLU H H 79 7.717 7.717 8.002 -0.285 17952 321 1 . 1 1 80 80 LEU N N 80 119.751 119.751 118.682 1.069 17952 322 1 . 1 1 80 80 LEU HA H 80 4.554 4.554 4.832 -0.278 17952 323 1 . 1 1 80 80 LEU H H 80 6.859 6.859 7.471 -0.612 17952 324 1 . 1 1 81 81 PRO HA H 81 4.571 4.571 4.528 0.043 17952 325 1 . 1 1 81 81 PRO CA C 81 61.725 61.725 62.492 -0.767 17952 326 1 . 1 1 81 81 PRO CB C 81 32.332 32.332 32.440 -0.108 17952 327 1 . 1 1 82 82 ALA N N 82 122.525 122.525 125.952 -3.427 17952 328 1 . 1 1 82 82 ALA HA H 82 3.758 3.758 4.423 -0.665 17952 329 1 . 1 1 82 82 ALA CB C 82 15.908 15.908 18.088 -2.180 17952 330 1 . 1 1 82 82 ALA H H 82 8.425 8.425 8.471 -0.046 17952 331 1 . 1 1 83 83 MET N N 83 122.963 122.963 119.825 3.138 17952 332 1 . 1 1 83 83 MET HA H 83 4.387 4.387 4.832 -0.445 17952 333 1 . 1 1 83 83 MET CA C 83 54.002 54.002 54.250 -0.248 17952 334 1 . 1 1 83 83 MET CB C 83 35.655 35.655 36.196 -0.541 17952 335 1 . 1 1 83 83 MET H H 83 7.851 7.851 7.931 -0.080 17952 336 1 . 1 1 84 84 ASP N N 84 121.733 121.733 121.428 0.305 17952 337 1 . 1 1 84 84 ASP HA H 84 4.752 4.752 4.837 -0.085 17952 338 1 . 1 1 84 84 ASP CA C 84 53.638 53.638 54.053 -0.415 17952 339 1 . 1 1 84 84 ASP CB C 84 41.990 41.990 41.677 0.313 17952 340 1 . 1 1 84 84 ASP H H 84 8.393 8.393 8.387 0.006 17952 341 1 . 1 1 85 85 PHE N N 85 121.368 121.368 121.631 -0.263 17952 342 1 . 1 1 85 85 PHE HA H 85 5.956 5.956 4.854 1.102 17952 343 1 . 1 1 85 85 PHE CB C 85 42.080 42.080 41.242 0.838 17952 344 1 . 1 1 85 85 PHE H H 85 8.849 8.849 8.273 0.576 17952 345 1 . 1 1 86 86 VAL N N 86 120.431 120.431 122.776 -2.345 17952 346 1 . 1 1 86 86 VAL HA H 86 4.616 4.616 4.518 0.098 17952 347 1 . 1 1 86 86 VAL CA C 86 60.874 60.874 61.094 -0.220 17952 348 1 . 1 1 86 86 VAL CB C 86 34.882 34.882 33.129 1.753 17952 349 1 . 1 1 86 86 VAL H H 86 9.407 9.407 8.756 0.651 17952 350 1 . 1 1 87 87 VAL N N 87 127.860 127.860 129.302 -1.442 17952 351 1 . 1 1 87 87 VAL HA H 87 4.617 4.617 4.523 0.094 17952 352 1 . 1 1 87 87 VAL CA C 87 61.420 61.420 61.507 -0.087 17952 353 1 . 1 1 87 87 VAL CB C 87 32.122 32.122 32.522 -0.400 17952 354 1 . 1 1 87 87 VAL H H 87 8.843 8.843 8.750 0.093 17952 355 1 . 1 1 88 88 VAL N N 88 128.150 128.150 128.795 -0.645 17952 356 1 . 1 1 88 88 VAL HA H 88 4.655 4.655 4.560 0.095 17952 357 1 . 1 1 88 88 VAL CA C 88 61.265 61.265 60.831 0.434 17952 358 1 . 1 1 88 88 VAL CB C 88 33.439 33.439 32.452 0.987 17952 359 1 . 1 1 88 88 VAL H H 88 9.538 9.538 9.167 0.371 17952 360 1 . 1 1 89 89 ALA N N 89 128.337 128.337 131.998 -3.661 17952 361 1 . 1 1 89 89 ALA HA H 89 4.604 4.604 4.620 -0.016 17952 362 1 . 1 1 89 89 ALA CB C 89 20.871 20.871 20.009 0.862 17952 363 1 . 1 1 89 89 ALA H H 89 8.170 8.170 8.378 -0.208 17952 364 1 . 1 1 90 90 LYS N N 90 123.110 123.110 123.842 -0.732 17952 365 1 . 1 1 90 90 LYS HA H 90 4.477 4.477 4.548 -0.071 17952 366 1 . 1 1 90 90 LYS CA C 90 55.110 55.110 54.033 1.077 17952 367 1 . 1 1 90 90 LYS CB C 90 33.455 33.455 34.057 -0.602 17952 368 1 . 1 1 90 90 LYS H H 90 8.231 8.231 8.480 -0.249 17952 369 1 . 1 1 91 91 LYS N N 91 119.291 119.291 120.299 -1.008 17952 370 1 . 1 1 91 91 LYS HA H 91 4.048 4.048 4.297 -0.249 17952 371 1 . 1 1 91 91 LYS CA C 91 59.171 59.171 57.312 1.859 17952 372 1 . 1 1 91 91 LYS CB C 91 32.219 32.219 31.846 0.373 17952 373 1 . 1 1 91 91 LYS H H 91 8.162 8.162 8.586 -0.424 17952 374 1 . 1 1 92 92 GLY N N 92 112.991 112.991 113.023 -0.032 17952 375 1 . 1 1 92 92 GLY CA C 92 45.136 45.136 45.432 -0.296 17952 376 1 . 1 1 92 92 GLY H H 92 8.783 8.783 8.499 0.284 17952 377 1 . 1 1 93 93 VAL N N 93 122.937 122.937 121.270 1.667 17952 378 1 . 1 1 93 93 VAL HA H 93 3.730 3.730 3.939 -0.209 17952 379 1 . 1 1 93 93 VAL CA C 93 64.911 64.911 64.544 0.367 17952 380 1 . 1 1 93 93 VAL CB C 93 29.998 29.998 31.539 -1.541 17952 381 1 . 1 1 93 93 VAL H H 93 8.363 8.363 7.536 0.827 17952 382 1 . 1 1 94 94 ALA N N 94 119.882 119.882 119.325 0.557 17952 383 1 . 1 1 94 94 ALA HA H 94 4.096 4.096 4.229 -0.133 17952 384 1 . 1 1 94 94 ALA CB C 94 18.669 18.669 18.737 -0.068 17952 385 1 . 1 1 94 94 ALA H H 94 7.960 7.960 8.147 -0.187 17952 386 1 . 1 1 95 95 ASP N N 95 114.705 114.705 119.103 -4.398 17952 387 1 . 1 1 95 95 ASP HA H 95 4.492 4.492 4.731 -0.239 17952 388 1 . 1 1 95 95 ASP CA C 95 54.861 54.861 53.968 0.893 17952 389 1 . 1 1 95 95 ASP CB C 95 40.883 40.883 41.249 -0.366 17952 390 1 . 1 1 95 95 ASP H H 95 7.360 7.360 7.792 -0.432 17952 391 1 . 1 1 96 96 LEU N N 96 120.424 120.424 121.246 -0.822 17952 392 1 . 1 1 96 96 LEU HA H 96 4.458 4.458 4.498 -0.040 17952 393 1 . 1 1 96 96 LEU CA C 96 54.357 54.357 54.155 0.202 17952 394 1 . 1 1 96 96 LEU CB C 96 42.433 42.433 43.454 -1.021 17952 395 1 . 1 1 96 96 LEU H H 96 7.389 7.389 7.583 -0.194 17952 396 1 . 1 1 97 97 ASP N N 97 123.018 123.018 121.373 1.645 17952 397 1 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.632 -0.102 17952 398 1 . 1 1 97 97 ASP CA C 97 52.835 52.835 53.840 -1.005 17952 399 1 . 1 1 97 97 ASP CB C 97 40.502 40.502 42.688 -2.186 17952 400 1 . 1 1 97 97 ASP H H 97 8.473 8.473 8.360 0.113 17952 401 1 . 1 1 98 98 ASN N N 98 117.692 117.692 120.624 -2.932 17952 402 1 . 1 1 98 98 ASN HA H 98 4.136 4.136 4.417 -0.281 17952 403 1 . 1 1 98 98 ASN CA C 98 56.865 56.865 56.013 0.852 17952 404 1 . 1 1 98 98 ASN CB C 98 36.940 36.940 38.637 -1.697 17952 405 1 . 1 1 98 98 ASN H H 98 8.651 8.651 8.741 -0.090 17952 406 1 . 1 1 99 99 ARG N N 99 120.819 120.819 119.659 1.160 17952 407 1 . 1 1 99 99 ARG HA H 99 4.053 4.053 4.160 -0.107 17952 408 1 . 1 1 99 99 ARG CA C 99 59.498 59.498 58.683 0.815 17952 409 1 . 1 1 99 99 ARG CB C 99 29.317 29.317 30.210 -0.893 17952 410 1 . 1 1 99 99 ARG H H 99 8.191 8.191 8.556 -0.365 17952 411 1 . 1 1 100 100 ALA N N 100 122.928 122.928 122.029 0.899 17952 412 1 . 1 1 100 100 ALA HA H 100 4.151 4.151 4.181 -0.030 17952 413 1 . 1 1 100 100 ALA CA C 100 55.049 55.049 54.638 0.411 17952 414 1 . 1 1 100 100 ALA CB C 100 18.997 18.997 18.180 0.817 17952 415 1 . 1 1 100 100 ALA H H 100 8.524 8.524 7.907 0.617 17952 416 1 . 1 1 101 101 LEU N N 101 120.795 120.795 116.785 4.010 17952 417 1 . 1 1 101 101 LEU HA H 101 4.098 4.098 4.053 0.045 17952 418 1 . 1 1 101 101 LEU CA C 101 58.235 58.235 57.752 0.483 17952 419 1 . 1 1 101 101 LEU CB C 101 41.509 41.509 41.321 0.188 17952 420 1 . 1 1 101 101 LEU H H 101 8.961 8.961 8.029 0.932 17952 421 1 . 1 1 102 102 SER N N 102 115.314 115.314 114.746 0.568 17952 422 1 . 1 1 102 102 SER HA H 102 4.123 4.123 4.178 -0.055 17952 423 1 . 1 1 102 102 SER CB C 102 62.761 62.761 62.911 -0.150 17952 424 1 . 1 1 102 102 SER H H 102 8.459 8.459 7.800 0.659 17952 425 1 . 1 1 103 103 GLU N N 103 122.468 122.468 120.895 1.573 17952 426 1 . 1 1 103 103 GLU HA H 103 4.130 4.130 4.145 -0.015 17952 427 1 . 1 1 103 103 GLU CA C 103 59.468 59.468 58.460 1.008 17952 428 1 . 1 1 103 103 GLU CB C 103 29.528 29.528 29.480 0.048 17952 429 1 . 1 1 103 103 GLU H H 103 8.492 8.492 7.847 0.645 17952 430 1 . 1 1 104 104 ALA N N 104 123.159 123.159 121.460 1.699 17952 431 1 . 1 1 104 104 ALA HA H 104 4.090 4.090 4.248 -0.158 17952 432 1 . 1 1 104 104 ALA CA C 104 55.242 55.242 54.318 0.924 17952 433 1 . 1 1 104 104 ALA CB C 104 17.827 17.827 18.833 -1.006 17952 434 1 . 1 1 104 104 ALA H H 104 8.074 8.074 7.957 0.117 17952 435 1 . 1 1 105 105 LEU N N 105 116.602 116.602 120.127 -3.525 17952 436 1 . 1 1 105 105 LEU HA H 105 3.552 3.552 3.947 -0.395 17952 437 1 . 1 1 105 105 LEU CA C 105 58.404 58.404 57.960 0.444 17952 438 1 . 1 1 105 105 LEU CB C 105 41.619 41.619 41.832 -0.213 17952 439 1 . 1 1 105 105 LEU H H 105 8.318 8.318 7.779 0.539 17952 440 1 . 1 1 106 106 GLU N N 106 117.564 117.564 117.574 -0.010 17952 441 1 . 1 1 106 106 GLU HA H 106 4.232 4.232 4.126 0.106 17952 442 1 . 1 1 106 106 GLU CA C 106 60.416 60.416 59.192 1.224 17952 443 1 . 1 1 106 106 GLU CB C 106 28.925 28.925 28.900 0.025 17952 444 1 . 1 1 106 106 GLU H H 106 8.009 8.009 8.007 0.002 17952 445 1 . 1 1 107 107 LYS N N 107 117.286 117.286 119.727 -2.441 17952 446 1 . 1 1 107 107 LYS HA H 107 3.974 3.974 4.165 -0.192 17952 447 1 . 1 1 107 107 LYS CA C 107 59.907 59.907 58.278 1.629 17952 448 1 . 1 1 107 107 LYS CB C 107 32.381 32.381 31.776 0.605 17952 449 1 . 1 1 107 107 LYS H H 107 7.787 7.787 7.635 0.152 17952 450 1 . 1 1 108 108 LEU N N 108 120.504 120.504 118.582 1.922 17952 451 1 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.241 -0.262 17952 452 1 . 1 1 108 108 LEU CA C 108 57.817 57.817 57.667 0.150 17952 453 1 . 1 1 108 108 LEU CB C 108 42.300 42.300 41.260 1.040 17952 454 1 . 1 1 108 108 LEU H H 108 7.875 7.875 7.678 0.197 17952 455 1 . 1 1 109 109 TRP N N 109 120.547 120.547 121.168 -0.621 17952 456 1 . 1 1 109 109 TRP CA C 109 59.887 59.887 60.804 -0.917 17952 457 1 . 1 1 109 109 TRP CB C 109 30.763 30.763 29.514 1.249 17952 458 1 . 1 1 109 109 TRP H H 109 9.048 9.048 8.064 0.984 17952 459 1 . 1 1 110 110 ARG N N 110 117.678 117.678 118.866 -1.188 17952 460 1 . 1 1 110 110 ARG HA H 110 4.074 4.074 3.702 0.371 17952 461 1 . 1 1 110 110 ARG CA C 110 60.243 60.243 59.610 0.633 17952 462 1 . 1 1 110 110 ARG CB C 110 29.641 29.641 29.944 -0.303 17952 463 1 . 1 1 110 110 ARG H H 110 8.425 8.425 8.259 0.166 17952 464 1 . 1 1 111 111 ARG N N 111 121.156 121.156 118.888 2.268 17952 465 1 . 1 1 111 111 ARG HA H 111 4.175 4.175 4.087 0.088 17952 466 1 . 1 1 111 111 ARG CA C 111 59.068 59.068 58.335 0.733 17952 467 1 . 1 1 111 111 ARG CB C 111 29.070 29.070 29.708 -0.638 17952 468 1 . 1 1 111 111 ARG H H 111 8.100 8.100 7.909 0.191 17952 469 1 . 1 1 112 112 HIS N N 112 118.118 118.118 118.290 -0.172 17952 470 1 . 1 1 112 112 HIS HA H 112 4.303 4.303 4.379 -0.076 17952 471 1 . 1 1 112 112 HIS CA C 112 61.535 61.535 58.917 2.619 17952 472 1 . 1 1 112 112 HIS CB C 112 31.917 31.917 30.262 1.655 17952 473 1 . 1 1 112 112 HIS H H 112 8.250 8.250 8.044 0.206 17952 474 1 . 1 1 113 113 CYS N N 113 117.579 117.579 118.186 -0.607 17952 475 1 . 1 1 113 113 CYS HA H 113 4.264 4.264 4.023 0.241 17952 476 1 . 1 1 113 113 CYS CA C 113 64.136 64.136 61.905 2.231 17952 477 1 . 1 1 113 113 CYS CB C 113 26.785 26.785 27.486 -0.701 17952 478 1 . 1 1 113 113 CYS H H 113 8.181 8.181 8.263 -0.082 17952 479 1 . 1 1 114 114 ARG N N 114 120.172 120.172 118.929 1.243 17952 480 1 . 1 1 114 114 ARG HA H 114 4.147 4.147 4.141 0.006 17952 481 1 . 1 1 114 114 ARG CA C 114 59.050 59.050 57.726 1.324 17952 482 1 . 1 1 114 114 ARG CB C 114 29.818 29.818 29.557 0.261 17952 483 1 . 1 1 114 114 ARG H H 114 7.870 7.870 7.609 0.261 17952 484 1 . 1 1 115 115 LEU N N 115 120.720 120.720 119.694 1.026 17952 485 1 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.253 -0.136 17952 486 1 . 1 1 115 115 LEU CA C 115 57.362 57.362 56.737 0.625 17952 487 1 . 1 1 115 115 LEU CB C 115 41.902 41.902 41.988 -0.086 17952 488 1 . 1 1 115 115 LEU H H 115 8.690 8.690 7.673 1.017 17952 489 1 . 1 1 116 116 ALA N N 116 119.118 119.118 120.548 -1.430 17952 490 1 . 1 1 116 116 ALA HA H 116 4.367 4.367 4.214 0.153 17952 491 1 . 1 1 116 116 ALA CB C 116 19.088 19.088 18.903 0.185 17952 492 1 . 1 1 116 116 ALA H H 116 7.751 7.751 7.823 -0.072 17952 493 1 . 1 1 117 117 ARG N N 117 117.010 117.010 117.702 -0.692 17952 494 1 . 1 1 117 117 ARG HA H 117 4.388 4.388 4.391 -0.003 17952 495 1 . 1 1 117 117 ARG CA C 117 57.046 57.046 55.686 1.360 17952 496 1 . 1 1 117 117 ARG CB C 117 30.858 30.858 30.555 0.303 17952 497 1 . 1 1 117 117 ARG H H 117 7.602 7.602 7.680 -0.078 17952 498 1 . 1 1 118 118 GLY N N 118 108.836 108.836 108.869 -0.033 17952 499 1 . 1 1 118 118 GLY CA C 118 45.566 45.566 45.080 0.486 17952 500 1 . 1 1 118 118 GLY H H 118 8.087 8.087 7.857 0.230 17952 stop_ save_