data_17896 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17896 _Entry.PDB_ID 2LIL 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 17896 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 123.023 123.023 121.605 1.418 17896 2 1 1 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.993 1.939 17896 3 1 1 . 1 1 2 2 ILE H H 2 9.199 9.199 8.420 0.779 17896 4 1 1 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.419 1.080 17896 5 1 1 . 1 1 3 3 ILE CA C 3 60.783 60.783 64.297 -3.514 17896 6 1 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.446 3.109 17896 7 1 1 . 1 1 4 4 ASN N N 4 124.021 124.021 116.229 7.792 17896 8 1 1 . 1 1 4 4 ASN CB C 4 40.713 40.713 37.912 2.801 17896 9 1 1 . 1 1 4 4 ASN H H 4 9.123 9.123 8.937 0.186 17896 10 1 1 . 1 1 6 6 LEU N N 6 120.649 120.649 122.873 -2.224 17896 11 1 1 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.175 -0.391 17896 12 1 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.058 2.541 17896 13 1 1 . 1 1 6 6 LEU H H 6 8.602 8.602 8.663 -0.061 17896 14 1 1 . 1 1 7 7 LYS N N 7 118.177 118.177 118.878 -0.701 17896 15 1 1 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.988 -0.056 17896 16 1 1 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.126 2.180 17896 17 1 1 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.224 1.210 17896 18 1 1 . 1 1 7 7 LYS H H 7 8.972 8.972 8.680 0.292 17896 19 1 1 . 1 1 8 8 LEU N N 8 116.322 116.322 121.293 -4.971 17896 20 1 1 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.320 -0.130 17896 21 1 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.172 0.118 17896 22 1 1 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.090 1.669 17896 23 1 1 . 1 1 8 8 LEU H H 8 7.743 7.743 7.960 -0.217 17896 24 1 1 . 1 1 9 9 ILE N N 9 119.138 119.138 119.522 -0.384 17896 25 1 1 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.733 0.181 17896 26 1 1 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.810 0.048 17896 27 1 1 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.356 1.328 17896 28 1 1 . 1 1 9 9 ILE H H 9 8.239 8.239 8.119 0.120 17896 29 1 1 . 1 1 10 10 ARG N N 10 120.186 120.186 120.294 -0.108 17896 30 1 1 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.969 -0.079 17896 31 1 1 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.086 2.582 17896 32 1 1 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.139 -0.745 17896 33 1 1 . 1 1 10 10 ARG H H 10 9.291 9.291 8.486 0.805 17896 34 1 1 . 1 1 11 11 GLU N N 11 115.814 115.814 118.223 -2.409 17896 35 1 1 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.041 0.160 17896 36 1 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.986 1.300 17896 37 1 1 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.921 0.893 17896 38 1 1 . 1 1 11 11 GLU H H 11 8.732 8.732 8.692 0.040 17896 39 1 1 . 1 1 12 12 LYS N N 12 122.969 122.969 118.856 4.113 17896 40 1 1 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.080 0.143 17896 41 1 1 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.265 1.952 17896 42 1 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.299 0.599 17896 43 1 1 . 1 1 12 12 LYS H H 12 8.275 8.275 7.804 0.471 17896 44 1 1 . 1 1 13 13 LYS N N 13 116.324 116.324 114.947 1.377 17896 45 1 1 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.374 -0.062 17896 46 1 1 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.937 -0.006 17896 47 1 1 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.429 -0.676 17896 48 1 1 . 1 1 13 13 LYS H H 13 7.800 7.800 7.604 0.196 17896 49 1 1 . 1 1 14 14 LYS N N 14 115.342 115.342 113.562 1.780 17896 50 1 1 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.938 0.107 17896 51 1 1 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.447 0.607 17896 52 1 1 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.697 -0.649 17896 53 1 1 . 1 1 14 14 LYS H H 14 8.090 8.090 7.851 0.239 17896 54 1 1 . 1 1 15 15 ILE N N 15 118.356 118.356 120.489 -2.133 17896 55 1 1 . 1 1 15 15 ILE HA H 15 4.634 4.634 3.903 0.731 17896 56 1 1 . 1 1 15 15 ILE CA C 15 60.680 60.680 62.218 -1.538 17896 57 1 1 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.486 3.074 17896 58 1 1 . 1 1 15 15 ILE H H 15 7.593 7.593 7.344 0.249 17896 59 1 1 . 1 1 16 16 SER N N 16 125.139 125.139 123.795 1.344 17896 60 1 1 . 1 1 16 16 SER HA H 16 4.571 4.571 4.702 -0.131 17896 61 1 1 . 1 1 16 16 SER CA C 16 57.781 57.781 57.174 0.607 17896 62 1 1 . 1 1 16 16 SER H H 16 9.500 9.500 9.467 0.033 17896 63 1 1 . 1 1 17 17 GLN N N 17 120.188 120.188 120.886 -0.698 17896 64 1 1 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.915 -0.036 17896 65 1 1 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.427 2.235 17896 66 1 1 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.756 0.988 17896 67 1 1 . 1 1 17 17 GLN H H 17 9.575 9.575 8.830 0.745 17896 68 1 1 . 1 1 18 18 SER N N 18 113.031 113.031 115.327 -2.296 17896 69 1 1 . 1 1 18 18 SER H H 18 9.031 9.031 8.566 0.465 17896 70 1 1 . 1 1 19 19 GLU N N 19 124.044 124.044 120.918 3.126 17896 71 1 1 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.089 0.093 17896 72 1 1 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.200 0.209 17896 73 1 1 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.669 0.770 17896 74 1 1 . 1 1 19 19 GLU H H 19 8.381 8.381 7.577 0.804 17896 75 1 1 . 1 1 20 20 LEU N N 20 120.001 120.001 117.259 2.742 17896 76 1 1 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.277 -0.178 17896 77 1 1 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.674 0.776 17896 78 1 1 . 1 1 20 20 LEU H H 20 8.340 8.340 7.572 0.767 17896 79 1 1 . 1 1 21 21 ALA N N 21 119.822 119.822 121.604 -1.782 17896 80 1 1 . 1 1 21 21 ALA HA H 21 3.596 3.596 4.016 -0.420 17896 81 1 1 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.830 -0.021 17896 82 1 1 . 1 1 21 21 ALA CB C 21 17.756 17.756 17.867 -0.111 17896 83 1 1 . 1 1 21 21 ALA H H 21 8.632 8.632 8.822 -0.190 17896 84 1 1 . 1 1 22 22 ALA N N 22 117.186 117.186 120.262 -3.076 17896 85 1 1 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.059 0.223 17896 86 1 1 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.388 1.144 17896 87 1 1 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.415 0.138 17896 88 1 1 . 1 1 22 22 ALA H H 22 7.847 7.847 7.949 -0.102 17896 89 1 1 . 1 1 23 23 LEU N N 23 118.505 118.505 118.664 -0.159 17896 90 1 1 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.082 -0.031 17896 91 1 1 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.433 1.694 17896 92 1 1 . 1 1 23 23 LEU H H 23 7.546 7.546 7.681 -0.135 17896 93 1 1 . 1 1 24 24 LEU N N 24 114.492 114.492 112.590 1.902 17896 94 1 1 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.246 0.040 17896 95 1 1 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.472 0.222 17896 96 1 1 . 1 1 24 24 LEU H H 24 7.450 7.450 7.337 0.113 17896 97 1 1 . 1 1 25 25 GLU N N 25 114.844 114.844 114.147 0.697 17896 98 1 1 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.998 0.048 17896 99 1 1 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.042 1.191 17896 100 1 1 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.587 0.306 17896 101 1 1 . 1 1 25 25 GLU H H 25 8.045 8.045 7.851 0.194 17896 102 1 1 . 1 1 26 26 VAL N N 26 109.674 109.674 112.282 -2.608 17896 103 1 1 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.476 0.294 17896 104 1 1 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.447 -1.104 17896 105 1 1 . 1 1 26 26 VAL H H 26 8.012 8.012 7.472 0.540 17896 106 1 1 . 1 1 27 27 SER N N 27 114.352 114.352 117.459 -3.107 17896 107 1 1 . 1 1 27 27 SER CB C 27 63.110 63.110 63.924 -0.814 17896 108 1 1 . 1 1 27 27 SER H H 27 8.672 8.672 8.379 0.293 17896 109 1 1 . 1 1 28 28 ARG N N 28 115.247 115.247 126.885 -11.638 17896 110 1 1 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.951 -0.192 17896 111 1 1 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.788 0.971 17896 112 1 1 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.245 -0.295 17896 113 1 1 . 1 1 28 28 ARG H H 28 8.263 8.263 8.859 -0.596 17896 114 1 1 . 1 1 29 29 GLN N N 29 117.283 117.283 116.463 0.820 17896 115 1 1 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.062 0.137 17896 116 1 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.976 1.037 17896 117 1 1 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.384 1.084 17896 118 1 1 . 1 1 29 29 GLN H H 29 8.866 8.866 8.761 0.105 17896 119 1 1 . 1 1 30 30 THR N N 30 119.955 119.955 117.549 2.406 17896 120 1 1 . 1 1 30 30 THR HA H 30 4.454 4.454 4.001 0.453 17896 121 1 1 . 1 1 30 30 THR CA C 30 68.781 68.781 66.749 2.032 17896 122 1 1 . 1 1 30 30 THR CB C 30 67.567 67.567 68.063 -0.496 17896 123 1 1 . 1 1 30 30 THR H H 30 8.168 8.168 8.017 0.151 17896 124 1 1 . 1 1 31 31 ILE N N 31 118.777 118.777 122.097 -3.320 17896 125 1 1 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.689 0.110 17896 126 1 1 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.733 -1.804 17896 127 1 1 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.889 -1.911 17896 128 1 1 . 1 1 31 31 ILE H H 31 7.159 7.159 7.846 -0.687 17896 129 1 1 . 1 1 32 32 ASN N N 32 118.007 118.007 118.883 -0.876 17896 130 1 1 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.405 -0.034 17896 131 1 1 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.164 1.888 17896 132 1 1 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.292 1.789 17896 133 1 1 . 1 1 32 32 ASN H H 32 8.692 8.692 8.106 0.586 17896 134 1 1 . 1 1 33 33 GLY N N 33 124.878 124.878 108.529 16.349 17896 135 1 1 . 1 1 33 33 GLY H H 33 8.688 8.688 8.236 0.452 17896 136 1 1 . 1 1 34 34 ILE N N 34 122.256 122.256 122.491 -0.235 17896 137 1 1 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.637 0.675 17896 138 1 1 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.510 1.944 17896 139 1 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.779 1.407 17896 140 1 1 . 1 1 34 34 ILE H H 34 8.244 8.244 8.418 -0.174 17896 141 1 1 . 1 1 35 35 GLU N N 35 120.621 120.621 119.379 1.242 17896 142 1 1 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.112 0.202 17896 143 1 1 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.663 1.929 17896 144 1 1 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.287 0.466 17896 145 1 1 . 1 1 35 35 GLU H H 35 8.646 8.646 8.699 -0.053 17896 146 1 1 . 1 1 36 36 LYS N N 36 115.927 115.927 119.330 -3.403 17896 147 1 1 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.181 0.422 17896 148 1 1 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.460 -0.176 17896 149 1 1 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.278 1.561 17896 150 1 1 . 1 1 36 36 LYS H H 36 8.125 8.125 7.613 0.512 17896 151 1 1 . 1 1 37 37 ASN N N 37 114.474 114.474 114.098 0.376 17896 152 1 1 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.553 0.181 17896 153 1 1 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.745 0.689 17896 154 1 1 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.114 0.690 17896 155 1 1 . 1 1 37 37 ASN H H 37 8.238 8.238 8.548 -0.310 17896 156 1 1 . 1 1 38 38 LYS N N 38 115.022 115.022 119.128 -4.106 17896 157 1 1 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.475 -0.011 17896 158 1 1 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.363 -1.749 17896 159 1 1 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.596 -0.510 17896 160 1 1 . 1 1 38 38 LYS H H 38 8.761 8.761 8.481 0.280 17896 161 1 1 . 1 1 39 39 TYR N N 39 117.018 117.018 113.056 3.962 17896 162 1 1 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.626 0.084 17896 163 1 1 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.315 0.062 17896 164 1 1 . 1 1 39 39 TYR H H 39 7.098 7.098 7.269 -0.171 17896 165 1 1 . 1 1 40 40 ASN N N 40 123.636 123.636 119.011 4.625 17896 166 1 1 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.198 1.178 17896 167 1 1 . 1 1 40 40 ASN H H 40 8.904 8.904 8.462 0.442 17896 168 1 1 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.514 -0.624 17896 169 1 1 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.372 0.098 17896 170 1 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.202 0.259 17896 171 1 1 . 1 1 42 42 SER N N 42 125.765 125.765 117.298 8.467 17896 172 1 1 . 1 1 42 42 SER HA H 42 4.571 4.571 4.312 0.259 17896 173 1 1 . 1 1 42 42 SER CA C 42 58.198 58.198 58.426 -0.228 17896 174 1 1 . 1 1 42 42 SER H H 42 8.107 8.107 8.322 -0.215 17896 175 1 1 . 1 1 43 43 LEU N N 43 120.617 120.617 126.203 -5.586 17896 176 1 1 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.055 -0.041 17896 177 1 1 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.904 0.341 17896 178 1 1 . 1 1 43 43 LEU H H 43 9.322 9.322 8.801 0.521 17896 179 1 1 . 1 1 44 44 GLN N N 44 115.972 115.972 118.192 -2.220 17896 180 1 1 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.081 -0.346 17896 181 1 1 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.684 2.188 17896 182 1 1 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.210 0.940 17896 183 1 1 . 1 1 44 44 GLN H H 44 8.952 8.952 8.387 0.565 17896 184 1 1 . 1 1 45 45 LEU N N 45 119.443 119.443 120.939 -1.496 17896 185 1 1 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.076 -0.416 17896 186 1 1 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.587 -2.725 17896 187 1 1 . 1 1 45 45 LEU H H 45 8.129 8.129 7.845 0.284 17896 188 1 1 . 1 1 46 46 ALA N N 46 120.485 120.485 121.652 -1.167 17896 189 1 1 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.070 -0.010 17896 190 1 1 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.094 1.391 17896 191 1 1 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.114 2.627 17896 192 1 1 . 1 1 46 46 ALA H H 46 8.531 8.531 8.996 -0.465 17896 193 1 1 . 1 1 47 47 LEU N N 47 116.554 116.554 119.948 -3.394 17896 194 1 1 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.066 0.146 17896 195 1 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.331 0.070 17896 196 1 1 . 1 1 47 47 LEU H H 47 8.761 8.761 8.431 0.330 17896 197 1 1 . 1 1 48 48 LYS N N 48 121.029 121.029 119.503 1.526 17896 198 1 1 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.102 -0.421 17896 199 1 1 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.074 1.653 17896 200 1 1 . 1 1 48 48 LYS H H 48 8.068 8.068 7.531 0.537 17896 201 1 1 . 1 1 49 49 ILE N N 49 120.454 120.454 118.624 1.830 17896 202 1 1 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.064 -0.390 17896 203 1 1 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.476 3.626 17896 204 1 1 . 1 1 49 49 ILE H H 49 8.822 8.822 7.596 1.226 17896 205 1 1 . 1 1 50 50 ALA N N 50 120.394 120.394 123.613 -3.219 17896 206 1 1 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.029 0.084 17896 207 1 1 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.129 1.167 17896 208 1 1 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.086 0.846 17896 209 1 1 . 1 1 50 50 ALA H H 50 8.217 8.217 8.856 -0.639 17896 210 1 1 . 1 1 51 51 TYR N N 51 117.083 117.083 118.895 -1.812 17896 211 1 1 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.040 0.331 17896 212 1 1 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.004 0.292 17896 213 1 1 . 1 1 51 51 TYR H H 51 8.187 8.187 8.366 -0.179 17896 214 1 1 . 1 1 52 52 TYR N N 52 118.569 118.569 115.754 2.815 17896 215 1 1 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.262 0.047 17896 216 1 1 . 1 1 52 52 TYR CA C 52 63.752 63.752 60.429 3.323 17896 217 1 1 . 1 1 52 52 TYR H H 52 9.091 9.091 7.584 1.507 17896 218 1 1 . 1 1 53 53 LEU N N 53 115.465 115.465 119.123 -3.658 17896 219 1 1 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.305 0.277 17896 220 1 1 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.074 0.062 17896 221 1 1 . 1 1 53 53 LEU H H 53 8.443 8.443 8.188 0.255 17896 222 1 1 . 1 1 54 54 ASN N N 54 122.105 122.105 115.556 6.549 17896 223 1 1 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.323 0.127 17896 224 1 1 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.850 -0.195 17896 225 1 1 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.184 1.301 17896 226 1 1 . 1 1 54 54 ASN H H 54 8.099 8.099 8.056 0.043 17896 227 1 1 . 1 1 55 55 THR N N 55 114.942 114.942 113.882 1.060 17896 228 1 1 . 1 1 55 55 THR HA H 55 5.014 5.014 4.922 0.092 17896 229 1 1 . 1 1 55 55 THR CA C 55 60.889 60.889 60.792 0.097 17896 230 1 1 . 1 1 55 55 THR CB C 55 75.500 75.500 71.317 4.183 17896 231 1 1 . 1 1 55 55 THR H H 55 8.277 8.277 7.439 0.838 17896 232 1 1 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.527 0.052 17896 233 1 1 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.772 0.504 17896 234 1 1 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.649 -0.414 17896 235 1 1 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.013 0.158 17896 236 1 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.607 2.015 17896 237 1 1 . 1 1 58 58 GLU N N 58 123.079 123.079 116.750 6.329 17896 238 1 1 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.240 0.522 17896 239 1 1 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.412 0.397 17896 240 1 1 . 1 1 58 58 GLU H H 58 9.387 9.387 8.736 0.651 17896 241 1 1 . 1 1 59 59 ASP N N 59 117.677 117.677 118.007 -0.330 17896 242 1 1 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.494 0.096 17896 243 1 1 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.439 0.186 17896 244 1 1 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.050 -0.159 17896 245 1 1 . 1 1 59 59 ASP H H 59 8.035 8.035 8.332 -0.297 17896 246 1 1 . 1 1 60 60 ILE N N 60 119.506 119.506 113.273 6.233 17896 247 1 1 . 1 1 60 60 ILE H H 60 8.238 8.238 7.332 0.906 17896 248 1 1 . 1 1 61 61 PHE N N 61 115.913 115.913 124.156 -8.243 17896 249 1 1 . 1 1 61 61 PHE H H 61 8.548 8.548 8.729 -0.181 17896 250 1 1 . 1 1 62 62 GLN N N 62 116.558 116.558 121.950 -5.392 17896 251 1 1 . 1 1 62 62 GLN H H 62 8.808 8.808 7.847 0.961 17896 252 1 1 . 1 1 63 63 TRP N N 63 125.624 125.624 124.294 1.330 17896 253 1 1 . 1 1 63 63 TRP H H 63 9.515 9.515 8.574 0.941 17896 254 1 1 . 1 1 64 64 GLN N N 64 127.215 127.215 118.678 8.537 17896 255 1 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.892 2.680 17896 256 1 1 . 1 1 64 64 GLN H H 64 8.023 8.023 8.446 -0.423 17896 257 1 1 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.396 0.314 17896 258 1 1 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.189 -0.389 17896 259 1 2 . 1 1 2 2 ILE N N 2 123.023 123.023 117.885 5.138 17896 260 1 2 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.717 2.215 17896 261 1 2 . 1 1 2 2 ILE H H 2 9.199 9.199 7.785 1.414 17896 262 1 2 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.223 0.276 17896 263 1 2 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.668 1.115 17896 264 1 2 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.658 0.897 17896 265 1 2 . 1 1 4 4 ASN N N 4 124.021 124.021 126.119 -2.098 17896 266 1 2 . 1 1 4 4 ASN CB C 4 40.713 40.713 39.826 0.887 17896 267 1 2 . 1 1 4 4 ASN H H 4 9.123 9.123 8.547 0.576 17896 268 1 2 . 1 1 6 6 LEU N N 6 120.649 120.649 122.490 -1.841 17896 269 1 2 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.061 -0.277 17896 270 1 2 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.538 2.061 17896 271 1 2 . 1 1 6 6 LEU H H 6 8.602 8.602 8.890 -0.288 17896 272 1 2 . 1 1 7 7 LYS N N 7 118.177 118.177 117.475 0.702 17896 273 1 2 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.983 -0.051 17896 274 1 2 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.306 2.001 17896 275 1 2 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.218 1.216 17896 276 1 2 . 1 1 7 7 LYS H H 7 8.972 8.972 8.528 0.444 17896 277 1 2 . 1 1 8 8 LEU N N 8 116.322 116.322 120.991 -4.669 17896 278 1 2 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.471 -0.281 17896 279 1 2 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.802 0.488 17896 280 1 2 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.182 1.577 17896 281 1 2 . 1 1 8 8 LEU H H 8 7.743 7.743 7.677 0.066 17896 282 1 2 . 1 1 9 9 ILE N N 9 119.138 119.138 119.922 -0.784 17896 283 1 2 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.666 0.248 17896 284 1 2 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.907 -0.049 17896 285 1 2 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.445 1.239 17896 286 1 2 . 1 1 9 9 ILE H H 9 8.239 8.239 8.928 -0.689 17896 287 1 2 . 1 1 10 10 ARG N N 10 120.186 120.186 120.583 -0.397 17896 288 1 2 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.883 0.007 17896 289 1 2 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.105 1.562 17896 290 1 2 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.416 -1.022 17896 291 1 2 . 1 1 10 10 ARG H H 10 9.291 9.291 8.574 0.717 17896 292 1 2 . 1 1 11 11 GLU N N 11 115.814 115.814 117.968 -2.154 17896 293 1 2 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.106 0.095 17896 294 1 2 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.888 1.398 17896 295 1 2 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.982 0.832 17896 296 1 2 . 1 1 11 11 GLU H H 11 8.732 8.732 8.121 0.611 17896 297 1 2 . 1 1 12 12 LYS N N 12 122.969 122.969 121.010 1.959 17896 298 1 2 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.138 0.085 17896 299 1 2 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.454 1.763 17896 300 1 2 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.249 0.649 17896 301 1 2 . 1 1 12 12 LYS H H 12 8.275 8.275 7.542 0.733 17896 302 1 2 . 1 1 13 13 LYS N N 13 116.324 116.324 115.937 0.387 17896 303 1 2 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.337 -0.025 17896 304 1 2 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.671 0.260 17896 305 1 2 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.425 -0.672 17896 306 1 2 . 1 1 13 13 LYS H H 13 7.800 7.800 7.524 0.276 17896 307 1 2 . 1 1 14 14 LYS N N 14 115.342 115.342 115.576 -0.234 17896 308 1 2 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.891 0.154 17896 309 1 2 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.678 1.376 17896 310 1 2 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.091 -0.043 17896 311 1 2 . 1 1 14 14 LYS H H 14 8.090 8.090 7.650 0.440 17896 312 1 2 . 1 1 15 15 ILE N N 15 118.356 118.356 120.096 -1.740 17896 313 1 2 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.363 0.271 17896 314 1 2 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.586 0.094 17896 315 1 2 . 1 1 15 15 ILE CB C 15 41.559 41.559 41.531 0.028 17896 316 1 2 . 1 1 15 15 ILE H H 15 7.593 7.593 8.202 -0.609 17896 317 1 2 . 1 1 16 16 SER N N 16 125.139 125.139 121.503 3.636 17896 318 1 2 . 1 1 16 16 SER HA H 16 4.571 4.571 4.820 -0.249 17896 319 1 2 . 1 1 16 16 SER CA C 16 57.781 57.781 56.808 0.973 17896 320 1 2 . 1 1 16 16 SER H H 16 9.500 9.500 9.646 -0.146 17896 321 1 2 . 1 1 17 17 GLN N N 17 120.188 120.188 121.021 -0.833 17896 322 1 2 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.101 -0.223 17896 323 1 2 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.567 3.095 17896 324 1 2 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.151 1.593 17896 325 1 2 . 1 1 17 17 GLN H H 17 9.575 9.575 8.933 0.642 17896 326 1 2 . 1 1 18 18 SER N N 18 113.031 113.031 114.623 -1.592 17896 327 1 2 . 1 1 18 18 SER H H 18 9.031 9.031 8.456 0.575 17896 328 1 2 . 1 1 19 19 GLU N N 19 124.044 124.044 121.900 2.144 17896 329 1 2 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.193 -0.011 17896 330 1 2 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.571 -0.161 17896 331 1 2 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.734 0.705 17896 332 1 2 . 1 1 19 19 GLU H H 19 8.381 8.381 7.782 0.599 17896 333 1 2 . 1 1 20 20 LEU N N 20 120.001 120.001 117.125 2.876 17896 334 1 2 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.336 -0.237 17896 335 1 2 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.622 0.828 17896 336 1 2 . 1 1 20 20 LEU H H 20 8.340 8.340 7.366 0.974 17896 337 1 2 . 1 1 21 21 ALA N N 21 119.822 119.822 120.833 -1.011 17896 338 1 2 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.919 -0.323 17896 339 1 2 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.635 0.173 17896 340 1 2 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.262 -0.506 17896 341 1 2 . 1 1 21 21 ALA H H 21 8.632 8.632 8.297 0.335 17896 342 1 2 . 1 1 22 22 ALA N N 22 117.186 117.186 120.008 -2.822 17896 343 1 2 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.041 0.241 17896 344 1 2 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.287 1.245 17896 345 1 2 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.380 0.173 17896 346 1 2 . 1 1 22 22 ALA H H 22 7.847 7.847 7.676 0.171 17896 347 1 2 . 1 1 23 23 LEU N N 23 118.505 118.505 118.207 0.298 17896 348 1 2 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.994 0.057 17896 349 1 2 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.715 1.413 17896 350 1 2 . 1 1 23 23 LEU H H 23 7.546 7.546 7.430 0.116 17896 351 1 2 . 1 1 24 24 LEU N N 24 114.492 114.492 112.046 2.446 17896 352 1 2 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.288 -0.002 17896 353 1 2 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.791 0.903 17896 354 1 2 . 1 1 24 24 LEU H H 24 7.450 7.450 7.482 -0.032 17896 355 1 2 . 1 1 25 25 GLU N N 25 114.844 114.844 113.808 1.036 17896 356 1 2 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.868 0.178 17896 357 1 2 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.478 0.755 17896 358 1 2 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.543 0.350 17896 359 1 2 . 1 1 25 25 GLU H H 25 8.045 8.045 8.123 -0.078 17896 360 1 2 . 1 1 26 26 VAL N N 26 109.674 109.674 111.541 -1.867 17896 361 1 2 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.443 0.327 17896 362 1 2 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.252 -0.909 17896 363 1 2 . 1 1 26 26 VAL H H 26 8.012 8.012 7.251 0.761 17896 364 1 2 . 1 1 27 27 SER N N 27 114.352 114.352 117.337 -2.985 17896 365 1 2 . 1 1 27 27 SER CB C 27 63.110 63.110 63.829 -0.719 17896 366 1 2 . 1 1 27 27 SER H H 27 8.672 8.672 8.436 0.236 17896 367 1 2 . 1 1 28 28 ARG N N 28 115.247 115.247 127.245 -11.998 17896 368 1 2 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.934 -0.175 17896 369 1 2 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.978 0.780 17896 370 1 2 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.182 -0.232 17896 371 1 2 . 1 1 28 28 ARG H H 28 8.263 8.263 8.935 -0.672 17896 372 1 2 . 1 1 29 29 GLN N N 29 117.283 117.283 117.324 -0.041 17896 373 1 2 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.136 0.063 17896 374 1 2 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.544 0.469 17896 375 1 2 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.801 0.667 17896 376 1 2 . 1 1 29 29 GLN H H 29 8.866 8.866 8.891 -0.025 17896 377 1 2 . 1 1 30 30 THR N N 30 119.955 119.955 114.112 5.843 17896 378 1 2 . 1 1 30 30 THR HA H 30 4.454 4.454 4.081 0.373 17896 379 1 2 . 1 1 30 30 THR CA C 30 68.781 68.781 65.531 3.250 17896 380 1 2 . 1 1 30 30 THR CB C 30 67.567 67.567 67.966 -0.399 17896 381 1 2 . 1 1 30 30 THR H H 30 8.168 8.168 8.077 0.091 17896 382 1 2 . 1 1 31 31 ILE N N 31 118.777 118.777 122.855 -4.078 17896 383 1 2 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.688 0.111 17896 384 1 2 . 1 1 31 31 ILE CA C 31 61.929 61.929 64.141 -2.212 17896 385 1 2 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.990 -2.013 17896 386 1 2 . 1 1 31 31 ILE H H 31 7.159 7.159 8.061 -0.902 17896 387 1 2 . 1 1 32 32 ASN N N 32 118.007 118.007 118.562 -0.555 17896 388 1 2 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.389 -0.018 17896 389 1 2 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.614 1.438 17896 390 1 2 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.698 1.383 17896 391 1 2 . 1 1 32 32 ASN H H 32 8.692 8.692 8.763 -0.071 17896 392 1 2 . 1 1 33 33 GLY N N 33 124.878 124.878 108.392 16.486 17896 393 1 2 . 1 1 33 33 GLY H H 33 8.688 8.688 8.171 0.517 17896 394 1 2 . 1 1 34 34 ILE N N 34 122.256 122.256 121.423 0.833 17896 395 1 2 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.898 0.414 17896 396 1 2 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.180 2.274 17896 397 1 2 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.004 1.182 17896 398 1 2 . 1 1 34 34 ILE H H 34 8.244 8.244 8.546 -0.302 17896 399 1 2 . 1 1 35 35 GLU N N 35 120.621 120.621 120.614 0.007 17896 400 1 2 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.383 -0.069 17896 401 1 2 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.910 1.682 17896 402 1 2 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.619 0.133 17896 403 1 2 . 1 1 35 35 GLU H H 35 8.646 8.646 8.713 -0.067 17896 404 1 2 . 1 1 36 36 LYS N N 36 115.927 115.927 119.268 -3.341 17896 405 1 2 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.229 0.374 17896 406 1 2 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.361 -0.077 17896 407 1 2 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.083 1.756 17896 408 1 2 . 1 1 36 36 LYS H H 36 8.125 8.125 7.372 0.753 17896 409 1 2 . 1 1 37 37 ASN N N 37 114.474 114.474 115.248 -0.774 17896 410 1 2 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.504 0.230 17896 411 1 2 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.670 0.764 17896 412 1 2 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.740 0.064 17896 413 1 2 . 1 1 37 37 ASN H H 37 8.238 8.238 8.462 -0.224 17896 414 1 2 . 1 1 38 38 LYS N N 38 115.022 115.022 117.969 -2.947 17896 415 1 2 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.222 0.242 17896 416 1 2 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.630 -2.015 17896 417 1 2 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.042 -0.957 17896 418 1 2 . 1 1 38 38 LYS H H 38 8.761 8.761 8.395 0.366 17896 419 1 2 . 1 1 39 39 TYR N N 39 117.018 117.018 116.917 0.101 17896 420 1 2 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.597 0.113 17896 421 1 2 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.920 -0.543 17896 422 1 2 . 1 1 39 39 TYR H H 39 7.098 7.098 7.923 -0.825 17896 423 1 2 . 1 1 40 40 ASN N N 40 123.636 123.636 120.395 3.241 17896 424 1 2 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.532 -0.156 17896 425 1 2 . 1 1 40 40 ASN H H 40 8.904 8.904 8.862 0.042 17896 426 1 2 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.415 -0.525 17896 427 1 2 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.291 0.180 17896 428 1 2 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.239 0.222 17896 429 1 2 . 1 1 42 42 SER N N 42 125.765 125.765 117.868 7.897 17896 430 1 2 . 1 1 42 42 SER HA H 42 4.571 4.571 4.448 0.123 17896 431 1 2 . 1 1 42 42 SER CA C 42 58.198 58.198 57.977 0.221 17896 432 1 2 . 1 1 42 42 SER H H 42 8.107 8.107 8.275 -0.168 17896 433 1 2 . 1 1 43 43 LEU N N 43 120.617 120.617 125.309 -4.692 17896 434 1 2 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.926 0.088 17896 435 1 2 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.130 0.115 17896 436 1 2 . 1 1 43 43 LEU H H 43 9.322 9.322 8.811 0.511 17896 437 1 2 . 1 1 44 44 GLN N N 44 115.972 115.972 117.999 -2.027 17896 438 1 2 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.088 -0.353 17896 439 1 2 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.766 2.106 17896 440 1 2 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.937 1.213 17896 441 1 2 . 1 1 44 44 GLN H H 44 8.952 8.952 8.480 0.472 17896 442 1 2 . 1 1 45 45 LEU N N 45 119.443 119.443 114.524 4.919 17896 443 1 2 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.436 -0.776 17896 444 1 2 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.250 -1.388 17896 445 1 2 . 1 1 45 45 LEU H H 45 8.129 8.129 7.672 0.457 17896 446 1 2 . 1 1 46 46 ALA N N 46 120.485 120.485 123.468 -2.983 17896 447 1 2 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.027 0.033 17896 448 1 2 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.043 1.442 17896 449 1 2 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.798 2.943 17896 450 1 2 . 1 1 46 46 ALA H H 46 8.531 8.531 8.830 -0.299 17896 451 1 2 . 1 1 47 47 LEU N N 47 116.554 116.554 118.163 -1.609 17896 452 1 2 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.891 0.321 17896 453 1 2 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.943 0.458 17896 454 1 2 . 1 1 47 47 LEU H H 47 8.761 8.761 7.801 0.960 17896 455 1 2 . 1 1 48 48 LYS N N 48 121.029 121.029 119.077 1.952 17896 456 1 2 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.110 -0.429 17896 457 1 2 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.395 1.332 17896 458 1 2 . 1 1 48 48 LYS H H 48 8.068 8.068 7.592 0.476 17896 459 1 2 . 1 1 49 49 ILE N N 49 120.454 120.454 120.796 -0.342 17896 460 1 2 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.861 -0.187 17896 461 1 2 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.225 3.877 17896 462 1 2 . 1 1 49 49 ILE H H 49 8.822 8.822 7.942 0.880 17896 463 1 2 . 1 1 50 50 ALA N N 50 120.394 120.394 122.822 -2.428 17896 464 1 2 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.038 0.075 17896 465 1 2 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.459 0.837 17896 466 1 2 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.762 1.169 17896 467 1 2 . 1 1 50 50 ALA H H 50 8.217 8.217 8.849 -0.632 17896 468 1 2 . 1 1 51 51 TYR N N 51 117.083 117.083 120.108 -3.025 17896 469 1 2 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.099 0.272 17896 470 1 2 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.099 0.197 17896 471 1 2 . 1 1 51 51 TYR H H 51 8.187 8.187 7.842 0.345 17896 472 1 2 . 1 1 52 52 TYR N N 52 118.569 118.569 120.000 -1.431 17896 473 1 2 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.150 0.159 17896 474 1 2 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.396 2.356 17896 475 1 2 . 1 1 52 52 TYR H H 52 9.091 9.091 7.923 1.168 17896 476 1 2 . 1 1 53 53 LEU N N 53 115.465 115.465 117.907 -2.442 17896 477 1 2 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.024 0.558 17896 478 1 2 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.761 -0.625 17896 479 1 2 . 1 1 53 53 LEU H H 53 8.443 8.443 8.354 0.089 17896 480 1 2 . 1 1 54 54 ASN N N 54 122.105 122.105 114.558 7.547 17896 481 1 2 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.166 0.284 17896 482 1 2 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.716 -0.061 17896 483 1 2 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.462 2.023 17896 484 1 2 . 1 1 54 54 ASN H H 54 8.099 8.099 7.761 0.338 17896 485 1 2 . 1 1 55 55 THR N N 55 114.942 114.942 114.783 0.159 17896 486 1 2 . 1 1 55 55 THR HA H 55 5.014 5.014 4.558 0.456 17896 487 1 2 . 1 1 55 55 THR CA C 55 60.889 60.889 59.580 1.309 17896 488 1 2 . 1 1 55 55 THR CB C 55 75.500 75.500 71.012 4.488 17896 489 1 2 . 1 1 55 55 THR H H 55 8.277 8.277 8.085 0.192 17896 490 1 2 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.541 0.038 17896 491 1 2 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.350 0.926 17896 492 1 2 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.671 -0.436 17896 493 1 2 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.979 0.192 17896 494 1 2 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.798 1.824 17896 495 1 2 . 1 1 58 58 GLU N N 58 123.079 123.079 116.646 6.433 17896 496 1 2 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.295 0.467 17896 497 1 2 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.059 0.750 17896 498 1 2 . 1 1 58 58 GLU H H 58 9.387 9.387 8.689 0.698 17896 499 1 2 . 1 1 59 59 ASP N N 59 117.677 117.677 117.374 0.303 17896 500 1 2 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.422 0.168 17896 501 1 2 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.484 0.141 17896 502 1 2 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.292 -0.401 17896 503 1 2 . 1 1 59 59 ASP H H 59 8.035 8.035 8.183 -0.148 17896 504 1 2 . 1 1 60 60 ILE N N 60 119.506 119.506 113.001 6.505 17896 505 1 2 . 1 1 60 60 ILE H H 60 8.238 8.238 7.242 0.996 17896 506 1 2 . 1 1 61 61 PHE N N 61 115.913 115.913 123.896 -7.983 17896 507 1 2 . 1 1 61 61 PHE H H 61 8.548 8.548 8.763 -0.215 17896 508 1 2 . 1 1 62 62 GLN N N 62 116.558 116.558 124.125 -7.567 17896 509 1 2 . 1 1 62 62 GLN H H 62 8.808 8.808 7.611 1.197 17896 510 1 2 . 1 1 63 63 TRP N N 63 125.624 125.624 120.264 5.360 17896 511 1 2 . 1 1 63 63 TRP H H 63 9.515 9.515 7.798 1.717 17896 512 1 2 . 1 1 64 64 GLN N N 64 127.215 127.215 117.458 9.757 17896 513 1 2 . 1 1 64 64 GLN CB C 64 31.573 31.573 25.798 5.775 17896 514 1 2 . 1 1 64 64 GLN H H 64 8.023 8.023 8.948 -0.925 17896 515 1 2 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.328 0.382 17896 516 1 2 . 1 1 65 65 PRO CA C 65 62.800 62.800 64.256 -1.456 17896 517 1 3 . 1 1 2 2 ILE N N 2 123.023 123.023 119.125 3.898 17896 518 1 3 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.974 0.958 17896 519 1 3 . 1 1 2 2 ILE H H 2 9.199 9.199 8.060 1.139 17896 520 1 3 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.968 0.531 17896 521 1 3 . 1 1 3 3 ILE CA C 3 60.783 60.783 61.331 -0.548 17896 522 1 3 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.196 1.359 17896 523 1 3 . 1 1 4 4 ASN N N 4 124.021 124.021 121.662 2.359 17896 524 1 3 . 1 1 4 4 ASN CB C 4 40.713 40.713 41.045 -0.332 17896 525 1 3 . 1 1 4 4 ASN H H 4 9.123 9.123 7.933 1.190 17896 526 1 3 . 1 1 6 6 LEU N N 6 120.649 120.649 123.963 -3.314 17896 527 1 3 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.221 -0.437 17896 528 1 3 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.835 2.764 17896 529 1 3 . 1 1 6 6 LEU H H 6 8.602 8.602 9.810 -1.208 17896 530 1 3 . 1 1 7 7 LYS N N 7 118.177 118.177 118.071 0.106 17896 531 1 3 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.052 -0.120 17896 532 1 3 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.008 2.298 17896 533 1 3 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.097 1.337 17896 534 1 3 . 1 1 7 7 LYS H H 7 8.972 8.972 8.662 0.310 17896 535 1 3 . 1 1 8 8 LEU N N 8 116.322 116.322 120.932 -4.610 17896 536 1 3 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.411 -0.221 17896 537 1 3 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.782 0.508 17896 538 1 3 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.091 1.668 17896 539 1 3 . 1 1 8 8 LEU H H 8 7.743 7.743 8.111 -0.368 17896 540 1 3 . 1 1 9 9 ILE N N 9 119.138 119.138 119.098 0.040 17896 541 1 3 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.678 0.236 17896 542 1 3 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.648 0.210 17896 543 1 3 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.428 1.256 17896 544 1 3 . 1 1 9 9 ILE H H 9 8.239 8.239 8.493 -0.254 17896 545 1 3 . 1 1 10 10 ARG N N 10 120.186 120.186 120.917 -0.731 17896 546 1 3 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.918 -0.028 17896 547 1 3 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.869 1.799 17896 548 1 3 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.561 -1.167 17896 549 1 3 . 1 1 10 10 ARG H H 10 9.291 9.291 8.658 0.633 17896 550 1 3 . 1 1 11 11 GLU N N 11 115.814 115.814 117.481 -1.667 17896 551 1 3 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.058 0.143 17896 552 1 3 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.951 1.335 17896 553 1 3 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.024 0.790 17896 554 1 3 . 1 1 11 11 GLU H H 11 8.732 8.732 8.266 0.466 17896 555 1 3 . 1 1 12 12 LYS N N 12 122.969 122.969 119.071 3.898 17896 556 1 3 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.081 0.142 17896 557 1 3 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.674 1.543 17896 558 1 3 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.265 0.633 17896 559 1 3 . 1 1 12 12 LYS H H 12 8.275 8.275 7.760 0.515 17896 560 1 3 . 1 1 13 13 LYS N N 13 116.324 116.324 114.517 1.807 17896 561 1 3 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.311 0.001 17896 562 1 3 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.167 -0.236 17896 563 1 3 . 1 1 13 13 LYS CB C 13 31.753 31.753 31.882 -0.129 17896 564 1 3 . 1 1 13 13 LYS H H 13 7.800 7.800 7.571 0.229 17896 565 1 3 . 1 1 14 14 LYS N N 14 115.342 115.342 114.481 0.861 17896 566 1 3 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.972 0.073 17896 567 1 3 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.730 1.324 17896 568 1 3 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.490 -0.442 17896 569 1 3 . 1 1 14 14 LYS H H 14 8.090 8.090 7.771 0.319 17896 570 1 3 . 1 1 15 15 ILE N N 15 118.356 118.356 121.049 -2.693 17896 571 1 3 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.028 0.606 17896 572 1 3 . 1 1 15 15 ILE CA C 15 60.680 60.680 61.712 -1.032 17896 573 1 3 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.775 2.784 17896 574 1 3 . 1 1 15 15 ILE H H 15 7.593 7.593 7.338 0.255 17896 575 1 3 . 1 1 16 16 SER N N 16 125.139 125.139 122.763 2.376 17896 576 1 3 . 1 1 16 16 SER HA H 16 4.571 4.571 4.673 -0.102 17896 577 1 3 . 1 1 16 16 SER CA C 16 57.781 57.781 57.695 0.086 17896 578 1 3 . 1 1 16 16 SER H H 16 9.500 9.500 9.452 0.048 17896 579 1 3 . 1 1 17 17 GLN N N 17 120.188 120.188 122.594 -2.406 17896 580 1 3 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.954 -0.075 17896 581 1 3 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.134 2.528 17896 582 1 3 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.008 1.736 17896 583 1 3 . 1 1 17 17 GLN H H 17 9.575 9.575 9.076 0.499 17896 584 1 3 . 1 1 18 18 SER N N 18 113.031 113.031 113.867 -0.836 17896 585 1 3 . 1 1 18 18 SER H H 18 9.031 9.031 8.495 0.536 17896 586 1 3 . 1 1 19 19 GLU N N 19 124.044 124.044 121.375 2.669 17896 587 1 3 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.198 -0.016 17896 588 1 3 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.466 -0.057 17896 589 1 3 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.889 0.550 17896 590 1 3 . 1 1 19 19 GLU H H 19 8.381 8.381 7.824 0.557 17896 591 1 3 . 1 1 20 20 LEU N N 20 120.001 120.001 118.767 1.234 17896 592 1 3 . 1 1 20 20 LEU HA H 20 4.099 4.099 3.196 0.903 17896 593 1 3 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.270 1.180 17896 594 1 3 . 1 1 20 20 LEU H H 20 8.340 8.340 7.762 0.578 17896 595 1 3 . 1 1 21 21 ALA N N 21 119.822 119.822 122.349 -2.527 17896 596 1 3 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.872 -0.276 17896 597 1 3 . 1 1 21 21 ALA CA C 21 54.808 54.808 55.026 -0.218 17896 598 1 3 . 1 1 21 21 ALA CB C 21 17.756 17.756 17.836 -0.080 17896 599 1 3 . 1 1 21 21 ALA H H 21 8.632 8.632 8.635 -0.003 17896 600 1 3 . 1 1 22 22 ALA N N 22 117.186 117.186 119.284 -2.098 17896 601 1 3 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.000 0.282 17896 602 1 3 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.246 1.286 17896 603 1 3 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.305 0.248 17896 604 1 3 . 1 1 22 22 ALA H H 22 7.847 7.847 7.885 -0.038 17896 605 1 3 . 1 1 23 23 LEU N N 23 118.505 118.505 118.200 0.305 17896 606 1 3 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.032 0.019 17896 607 1 3 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.013 1.115 17896 608 1 3 . 1 1 23 23 LEU H H 23 7.546 7.546 7.684 -0.138 17896 609 1 3 . 1 1 24 24 LEU N N 24 114.492 114.492 110.171 4.321 17896 610 1 3 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.199 0.087 17896 611 1 3 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.648 0.046 17896 612 1 3 . 1 1 24 24 LEU H H 24 7.450 7.450 7.449 0.001 17896 613 1 3 . 1 1 25 25 GLU N N 25 114.844 114.844 114.323 0.521 17896 614 1 3 . 1 1 25 25 GLU HA H 25 4.046 4.046 4.001 0.045 17896 615 1 3 . 1 1 25 25 GLU CA C 25 58.233 58.233 56.949 1.284 17896 616 1 3 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.900 -0.007 17896 617 1 3 . 1 1 25 25 GLU H H 25 8.045 8.045 8.147 -0.102 17896 618 1 3 . 1 1 26 26 VAL N N 26 109.674 109.674 113.140 -3.466 17896 619 1 3 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.479 0.291 17896 620 1 3 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.625 -1.282 17896 621 1 3 . 1 1 26 26 VAL H H 26 8.012 8.012 7.611 0.401 17896 622 1 3 . 1 1 27 27 SER N N 27 114.352 114.352 116.638 -2.286 17896 623 1 3 . 1 1 27 27 SER CB C 27 63.110 63.110 63.786 -0.676 17896 624 1 3 . 1 1 27 27 SER H H 27 8.672 8.672 8.322 0.350 17896 625 1 3 . 1 1 28 28 ARG N N 28 115.247 115.247 127.031 -11.784 17896 626 1 3 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.924 -0.165 17896 627 1 3 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.828 0.930 17896 628 1 3 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.234 -0.284 17896 629 1 3 . 1 1 28 28 ARG H H 28 8.263 8.263 8.934 -0.671 17896 630 1 3 . 1 1 29 29 GLN N N 29 117.283 117.283 117.716 -0.433 17896 631 1 3 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.121 0.078 17896 632 1 3 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.553 0.460 17896 633 1 3 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.916 0.552 17896 634 1 3 . 1 1 29 29 GLN H H 29 8.866 8.866 8.936 -0.070 17896 635 1 3 . 1 1 30 30 THR N N 30 119.955 119.955 113.344 6.611 17896 636 1 3 . 1 1 30 30 THR HA H 30 4.454 4.454 4.052 0.402 17896 637 1 3 . 1 1 30 30 THR CA C 30 68.781 68.781 65.190 3.591 17896 638 1 3 . 1 1 30 30 THR CB C 30 67.567 67.567 68.419 -0.852 17896 639 1 3 . 1 1 30 30 THR H H 30 8.168 8.168 7.998 0.170 17896 640 1 3 . 1 1 31 31 ILE N N 31 118.777 118.777 122.691 -3.914 17896 641 1 3 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.748 0.051 17896 642 1 3 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.292 -1.363 17896 643 1 3 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.807 -1.830 17896 644 1 3 . 1 1 31 31 ILE H H 31 7.159 7.159 7.952 -0.793 17896 645 1 3 . 1 1 32 32 ASN N N 32 118.007 118.007 118.722 -0.715 17896 646 1 3 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.482 -0.111 17896 647 1 3 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.313 1.739 17896 648 1 3 . 1 1 32 32 ASN CB C 32 40.081 40.081 37.917 2.164 17896 649 1 3 . 1 1 32 32 ASN H H 32 8.692 8.692 8.775 -0.083 17896 650 1 3 . 1 1 33 33 GLY N N 33 124.878 124.878 109.090 15.788 17896 651 1 3 . 1 1 33 33 GLY H H 33 8.688 8.688 8.234 0.454 17896 652 1 3 . 1 1 34 34 ILE N N 34 122.256 122.256 121.365 0.891 17896 653 1 3 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.895 0.417 17896 654 1 3 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.562 1.892 17896 655 1 3 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.983 1.203 17896 656 1 3 . 1 1 34 34 ILE H H 34 8.244 8.244 8.653 -0.409 17896 657 1 3 . 1 1 35 35 GLU N N 35 120.621 120.621 120.569 0.052 17896 658 1 3 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.512 -0.198 17896 659 1 3 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.016 1.576 17896 660 1 3 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.469 0.283 17896 661 1 3 . 1 1 35 35 GLU H H 35 8.646 8.646 8.880 -0.234 17896 662 1 3 . 1 1 36 36 LYS N N 36 115.927 115.927 119.110 -3.183 17896 663 1 3 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.236 0.367 17896 664 1 3 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.410 -0.126 17896 665 1 3 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.367 1.472 17896 666 1 3 . 1 1 36 36 LYS H H 36 8.125 8.125 7.602 0.523 17896 667 1 3 . 1 1 37 37 ASN N N 37 114.474 114.474 115.630 -1.156 17896 668 1 3 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.539 0.195 17896 669 1 3 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.595 0.839 17896 670 1 3 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.855 -0.051 17896 671 1 3 . 1 1 37 37 ASN H H 37 8.238 8.238 8.551 -0.313 17896 672 1 3 . 1 1 38 38 LYS N N 38 115.022 115.022 117.626 -2.604 17896 673 1 3 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.223 0.241 17896 674 1 3 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.444 -1.830 17896 675 1 3 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.273 -1.187 17896 676 1 3 . 1 1 38 38 LYS H H 38 8.761 8.761 8.426 0.335 17896 677 1 3 . 1 1 39 39 TYR N N 39 117.018 117.018 116.924 0.094 17896 678 1 3 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.721 -0.011 17896 679 1 3 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.568 -0.191 17896 680 1 3 . 1 1 39 39 TYR H H 39 7.098 7.098 8.065 -0.967 17896 681 1 3 . 1 1 40 40 ASN N N 40 123.636 123.636 118.042 5.594 17896 682 1 3 . 1 1 40 40 ASN CB C 40 39.376 39.376 40.749 -1.373 17896 683 1 3 . 1 1 40 40 ASN H H 40 8.904 8.904 8.636 0.268 17896 684 1 3 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.331 -0.441 17896 685 1 3 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.022 0.448 17896 686 1 3 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.323 0.138 17896 687 1 3 . 1 1 42 42 SER N N 42 125.765 125.765 117.574 8.191 17896 688 1 3 . 1 1 42 42 SER HA H 42 4.571 4.571 4.171 0.400 17896 689 1 3 . 1 1 42 42 SER CA C 42 58.198 58.198 58.177 0.021 17896 690 1 3 . 1 1 42 42 SER H H 42 8.107 8.107 8.126 -0.019 17896 691 1 3 . 1 1 43 43 LEU N N 43 120.617 120.617 124.963 -4.346 17896 692 1 3 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.909 0.105 17896 693 1 3 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.440 0.805 17896 694 1 3 . 1 1 43 43 LEU H H 43 9.322 9.322 8.684 0.638 17896 695 1 3 . 1 1 44 44 GLN N N 44 115.972 115.972 117.989 -2.017 17896 696 1 3 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.085 -0.350 17896 697 1 3 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.864 2.008 17896 698 1 3 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.298 0.852 17896 699 1 3 . 1 1 44 44 GLN H H 44 8.952 8.952 8.487 0.465 17896 700 1 3 . 1 1 45 45 LEU N N 45 119.443 119.443 114.876 4.567 17896 701 1 3 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.453 -0.793 17896 702 1 3 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.571 -1.709 17896 703 1 3 . 1 1 45 45 LEU H H 45 8.129 8.129 7.308 0.821 17896 704 1 3 . 1 1 46 46 ALA N N 46 120.485 120.485 123.412 -2.927 17896 705 1 3 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.042 0.018 17896 706 1 3 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.051 1.434 17896 707 1 3 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.033 2.708 17896 708 1 3 . 1 1 46 46 ALA H H 46 8.531 8.531 8.883 -0.352 17896 709 1 3 . 1 1 47 47 LEU N N 47 116.554 116.554 119.376 -2.822 17896 710 1 3 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.071 0.141 17896 711 1 3 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.323 0.078 17896 712 1 3 . 1 1 47 47 LEU H H 47 8.761 8.761 7.934 0.827 17896 713 1 3 . 1 1 48 48 LYS N N 48 121.029 121.029 119.177 1.852 17896 714 1 3 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.019 -0.338 17896 715 1 3 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.944 0.783 17896 716 1 3 . 1 1 48 48 LYS H H 48 8.068 8.068 7.631 0.437 17896 717 1 3 . 1 1 49 49 ILE N N 49 120.454 120.454 120.137 0.317 17896 718 1 3 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.893 -0.219 17896 719 1 3 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.105 3.997 17896 720 1 3 . 1 1 49 49 ILE H H 49 8.822 8.822 7.584 1.238 17896 721 1 3 . 1 1 50 50 ALA N N 50 120.394 120.394 123.781 -3.387 17896 722 1 3 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.010 0.103 17896 723 1 3 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.631 0.665 17896 724 1 3 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.931 1.001 17896 725 1 3 . 1 1 50 50 ALA H H 50 8.217 8.217 8.971 -0.754 17896 726 1 3 . 1 1 51 51 TYR N N 51 117.083 117.083 120.308 -3.225 17896 727 1 3 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.119 0.252 17896 728 1 3 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.143 0.153 17896 729 1 3 . 1 1 51 51 TYR H H 51 8.187 8.187 8.458 -0.271 17896 730 1 3 . 1 1 52 52 TYR N N 52 118.569 118.569 120.489 -1.920 17896 731 1 3 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.082 0.227 17896 732 1 3 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.140 2.612 17896 733 1 3 . 1 1 52 52 TYR H H 52 9.091 9.091 7.944 1.147 17896 734 1 3 . 1 1 53 53 LEU N N 53 115.465 115.465 118.844 -3.379 17896 735 1 3 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.317 0.265 17896 736 1 3 . 1 1 53 53 LEU CA C 53 55.136 55.136 54.953 0.183 17896 737 1 3 . 1 1 53 53 LEU H H 53 8.443 8.443 8.696 -0.253 17896 738 1 3 . 1 1 54 54 ASN N N 54 122.105 122.105 115.082 7.023 17896 739 1 3 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.214 0.236 17896 740 1 3 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.842 -0.187 17896 741 1 3 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.839 1.647 17896 742 1 3 . 1 1 54 54 ASN H H 54 8.099 8.099 7.719 0.380 17896 743 1 3 . 1 1 55 55 THR N N 55 114.942 114.942 115.428 -0.486 17896 744 1 3 . 1 1 55 55 THR HA H 55 5.014 5.014 4.651 0.363 17896 745 1 3 . 1 1 55 55 THR CA C 55 60.889 60.889 60.077 0.812 17896 746 1 3 . 1 1 55 55 THR CB C 55 75.500 75.500 71.319 4.181 17896 747 1 3 . 1 1 55 55 THR H H 55 8.277 8.277 8.239 0.038 17896 748 1 3 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.642 -0.063 17896 749 1 3 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.146 1.130 17896 750 1 3 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.602 -0.367 17896 751 1 3 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.094 0.077 17896 752 1 3 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.506 2.116 17896 753 1 3 . 1 1 58 58 GLU N N 58 123.079 123.079 117.196 5.883 17896 754 1 3 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.206 0.556 17896 755 1 3 . 1 1 58 58 GLU CA C 58 59.809 59.809 58.287 1.522 17896 756 1 3 . 1 1 58 58 GLU H H 58 9.387 9.387 8.391 0.996 17896 757 1 3 . 1 1 59 59 ASP N N 59 117.677 117.677 116.685 0.992 17896 758 1 3 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.372 0.218 17896 759 1 3 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.812 -0.187 17896 760 1 3 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.955 -0.064 17896 761 1 3 . 1 1 59 59 ASP H H 59 8.035 8.035 8.218 -0.183 17896 762 1 3 . 1 1 60 60 ILE N N 60 119.506 119.506 113.984 5.522 17896 763 1 3 . 1 1 60 60 ILE H H 60 8.238 8.238 7.247 0.991 17896 764 1 3 . 1 1 61 61 PHE N N 61 115.913 115.913 120.432 -4.519 17896 765 1 3 . 1 1 61 61 PHE H H 61 8.548 8.548 8.490 0.058 17896 766 1 3 . 1 1 62 62 GLN N N 62 116.558 116.558 121.323 -4.765 17896 767 1 3 . 1 1 62 62 GLN H H 62 8.808 8.808 8.685 0.123 17896 768 1 3 . 1 1 63 63 TRP N N 63 125.624 125.624 122.464 3.160 17896 769 1 3 . 1 1 63 63 TRP H H 63 9.515 9.515 8.502 1.013 17896 770 1 3 . 1 1 64 64 GLN N N 64 127.215 127.215 120.695 6.520 17896 771 1 3 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.988 1.585 17896 772 1 3 . 1 1 64 64 GLN H H 64 8.023 8.023 8.567 -0.544 17896 773 1 3 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.412 0.298 17896 774 1 3 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.242 -0.442 17896 775 1 4 . 1 1 2 2 ILE N N 2 123.023 123.023 122.397 0.626 17896 776 1 4 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.440 1.492 17896 777 1 4 . 1 1 2 2 ILE H H 2 9.199 9.199 8.749 0.450 17896 778 1 4 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.299 0.200 17896 779 1 4 . 1 1 3 3 ILE CA C 3 60.783 60.783 60.315 0.468 17896 780 1 4 . 1 1 3 3 ILE CB C 3 39.555 39.555 41.065 -1.510 17896 781 1 4 . 1 1 4 4 ASN N N 4 124.021 124.021 119.923 4.098 17896 782 1 4 . 1 1 4 4 ASN CB C 4 40.713 40.713 38.907 1.806 17896 783 1 4 . 1 1 4 4 ASN H H 4 9.123 9.123 8.695 0.428 17896 784 1 4 . 1 1 6 6 LEU N N 6 120.649 120.649 123.058 -2.409 17896 785 1 4 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.141 -0.357 17896 786 1 4 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.313 2.286 17896 787 1 4 . 1 1 6 6 LEU H H 6 8.602 8.602 8.913 -0.311 17896 788 1 4 . 1 1 7 7 LYS N N 7 118.177 118.177 117.561 0.616 17896 789 1 4 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.969 -0.037 17896 790 1 4 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.166 2.140 17896 791 1 4 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.033 1.401 17896 792 1 4 . 1 1 7 7 LYS H H 7 8.972 8.972 8.522 0.450 17896 793 1 4 . 1 1 8 8 LEU N N 8 116.322 116.322 120.545 -4.223 17896 794 1 4 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.138 0.052 17896 795 1 4 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.657 0.633 17896 796 1 4 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.739 2.020 17896 797 1 4 . 1 1 8 8 LEU H H 8 7.743 7.743 7.849 -0.106 17896 798 1 4 . 1 1 9 9 ILE N N 9 119.138 119.138 119.947 -0.809 17896 799 1 4 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.815 0.099 17896 800 1 4 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.525 0.333 17896 801 1 4 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.453 1.232 17896 802 1 4 . 1 1 9 9 ILE H H 9 8.239 8.239 7.678 0.561 17896 803 1 4 . 1 1 10 10 ARG N N 10 120.186 120.186 121.096 -0.910 17896 804 1 4 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.880 0.010 17896 805 1 4 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.797 1.871 17896 806 1 4 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.466 -1.073 17896 807 1 4 . 1 1 10 10 ARG H H 10 9.291 9.291 8.374 0.917 17896 808 1 4 . 1 1 11 11 GLU N N 11 115.814 115.814 117.238 -1.424 17896 809 1 4 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.068 0.133 17896 810 1 4 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.046 1.240 17896 811 1 4 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.911 0.903 17896 812 1 4 . 1 1 11 11 GLU H H 11 8.732 8.732 8.659 0.073 17896 813 1 4 . 1 1 12 12 LYS N N 12 122.969 122.969 120.065 2.904 17896 814 1 4 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.108 0.115 17896 815 1 4 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.659 1.558 17896 816 1 4 . 1 1 12 12 LYS CB C 12 32.898 32.898 31.892 1.006 17896 817 1 4 . 1 1 12 12 LYS H H 12 8.275 8.275 7.643 0.632 17896 818 1 4 . 1 1 13 13 LYS N N 13 116.324 116.324 115.667 0.657 17896 819 1 4 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.359 -0.047 17896 820 1 4 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.125 -0.194 17896 821 1 4 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.110 -0.357 17896 822 1 4 . 1 1 13 13 LYS H H 13 7.800 7.800 7.553 0.247 17896 823 1 4 . 1 1 14 14 LYS N N 14 115.342 115.342 113.454 1.888 17896 824 1 4 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.885 0.160 17896 825 1 4 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.112 0.942 17896 826 1 4 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.415 -0.367 17896 827 1 4 . 1 1 14 14 LYS H H 14 8.090 8.090 7.558 0.532 17896 828 1 4 . 1 1 15 15 ILE N N 15 118.356 118.356 120.835 -2.479 17896 829 1 4 . 1 1 15 15 ILE HA H 15 4.634 4.634 3.990 0.644 17896 830 1 4 . 1 1 15 15 ILE CA C 15 60.680 60.680 61.984 -1.304 17896 831 1 4 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.828 2.731 17896 832 1 4 . 1 1 15 15 ILE H H 15 7.593 7.593 7.480 0.113 17896 833 1 4 . 1 1 16 16 SER N N 16 125.139 125.139 124.036 1.103 17896 834 1 4 . 1 1 16 16 SER HA H 16 4.571 4.571 4.551 0.020 17896 835 1 4 . 1 1 16 16 SER CA C 16 57.781 57.781 57.982 -0.201 17896 836 1 4 . 1 1 16 16 SER H H 16 9.500 9.500 9.427 0.073 17896 837 1 4 . 1 1 17 17 GLN N N 17 120.188 120.188 120.895 -0.707 17896 838 1 4 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.003 -0.124 17896 839 1 4 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.422 3.240 17896 840 1 4 . 1 1 17 17 GLN CB C 17 29.744 29.744 27.774 1.970 17896 841 1 4 . 1 1 17 17 GLN H H 17 9.575 9.575 8.944 0.631 17896 842 1 4 . 1 1 18 18 SER N N 18 113.031 113.031 116.003 -2.972 17896 843 1 4 . 1 1 18 18 SER H H 18 9.031 9.031 8.349 0.682 17896 844 1 4 . 1 1 19 19 GLU N N 19 124.044 124.044 120.856 3.188 17896 845 1 4 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.051 0.131 17896 846 1 4 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.594 -0.185 17896 847 1 4 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.400 1.039 17896 848 1 4 . 1 1 19 19 GLU H H 19 8.381 8.381 8.441 -0.060 17896 849 1 4 . 1 1 20 20 LEU N N 20 120.001 120.001 117.372 2.629 17896 850 1 4 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.199 -0.100 17896 851 1 4 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.829 0.621 17896 852 1 4 . 1 1 20 20 LEU H H 20 8.340 8.340 7.313 1.027 17896 853 1 4 . 1 1 21 21 ALA N N 21 119.822 119.822 120.901 -1.079 17896 854 1 4 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.950 -0.354 17896 855 1 4 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.544 0.264 17896 856 1 4 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.338 -0.582 17896 857 1 4 . 1 1 21 21 ALA H H 21 8.632 8.632 8.494 0.138 17896 858 1 4 . 1 1 22 22 ALA N N 22 117.186 117.186 121.237 -4.051 17896 859 1 4 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.074 0.207 17896 860 1 4 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.584 0.948 17896 861 1 4 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.497 0.056 17896 862 1 4 . 1 1 22 22 ALA H H 22 7.847 7.847 7.432 0.415 17896 863 1 4 . 1 1 23 23 LEU N N 23 118.505 118.505 117.489 1.016 17896 864 1 4 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.029 0.022 17896 865 1 4 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.537 1.590 17896 866 1 4 . 1 1 23 23 LEU H H 23 7.546 7.546 7.490 0.056 17896 867 1 4 . 1 1 24 24 LEU N N 24 114.492 114.492 112.625 1.867 17896 868 1 4 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.360 -0.074 17896 869 1 4 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.974 0.720 17896 870 1 4 . 1 1 24 24 LEU H H 24 7.450 7.450 7.602 -0.152 17896 871 1 4 . 1 1 25 25 GLU N N 25 114.844 114.844 114.180 0.664 17896 872 1 4 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.898 0.148 17896 873 1 4 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.421 0.812 17896 874 1 4 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.514 0.379 17896 875 1 4 . 1 1 25 25 GLU H H 25 8.045 8.045 8.193 -0.148 17896 876 1 4 . 1 1 26 26 VAL N N 26 109.674 109.674 111.659 -1.985 17896 877 1 4 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.443 0.327 17896 878 1 4 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.445 -1.102 17896 879 1 4 . 1 1 26 26 VAL H H 26 8.012 8.012 7.330 0.682 17896 880 1 4 . 1 1 27 27 SER N N 27 114.352 114.352 117.528 -3.176 17896 881 1 4 . 1 1 27 27 SER CB C 27 63.110 63.110 64.259 -1.149 17896 882 1 4 . 1 1 27 27 SER H H 27 8.672 8.672 8.331 0.341 17896 883 1 4 . 1 1 28 28 ARG N N 28 115.247 115.247 127.893 -12.646 17896 884 1 4 . 1 1 28 28 ARG HA H 28 3.759 3.759 4.045 -0.286 17896 885 1 4 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.182 0.576 17896 886 1 4 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.259 -0.309 17896 887 1 4 . 1 1 28 28 ARG H H 28 8.263 8.263 8.866 -0.603 17896 888 1 4 . 1 1 29 29 GLN N N 29 117.283 117.283 117.506 -0.223 17896 889 1 4 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.161 0.038 17896 890 1 4 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.043 0.970 17896 891 1 4 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.791 0.677 17896 892 1 4 . 1 1 29 29 GLN H H 29 8.866 8.866 8.794 0.072 17896 893 1 4 . 1 1 30 30 THR N N 30 119.955 119.955 117.364 2.591 17896 894 1 4 . 1 1 30 30 THR HA H 30 4.454 4.454 4.033 0.421 17896 895 1 4 . 1 1 30 30 THR CA C 30 68.781 68.781 66.229 2.552 17896 896 1 4 . 1 1 30 30 THR CB C 30 67.567 67.567 68.485 -0.918 17896 897 1 4 . 1 1 30 30 THR H H 30 8.168 8.168 7.865 0.303 17896 898 1 4 . 1 1 31 31 ILE N N 31 118.777 118.777 122.452 -3.675 17896 899 1 4 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.741 0.058 17896 900 1 4 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.533 -1.605 17896 901 1 4 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.944 -1.967 17896 902 1 4 . 1 1 31 31 ILE H H 31 7.159 7.159 8.225 -1.066 17896 903 1 4 . 1 1 32 32 ASN N N 32 118.007 118.007 118.129 -0.122 17896 904 1 4 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.412 -0.041 17896 905 1 4 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.455 1.597 17896 906 1 4 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.519 1.562 17896 907 1 4 . 1 1 32 32 ASN H H 32 8.692 8.692 8.373 0.319 17896 908 1 4 . 1 1 33 33 GLY N N 33 124.878 124.878 108.579 16.299 17896 909 1 4 . 1 1 33 33 GLY H H 33 8.688 8.688 8.236 0.452 17896 910 1 4 . 1 1 34 34 ILE N N 34 122.256 122.256 122.070 0.186 17896 911 1 4 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.862 0.450 17896 912 1 4 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.455 1.999 17896 913 1 4 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.041 1.145 17896 914 1 4 . 1 1 34 34 ILE H H 34 8.244 8.244 8.505 -0.261 17896 915 1 4 . 1 1 35 35 GLU N N 35 120.621 120.621 119.900 0.721 17896 916 1 4 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.335 -0.021 17896 917 1 4 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.019 1.573 17896 918 1 4 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.328 0.424 17896 919 1 4 . 1 1 35 35 GLU H H 35 8.646 8.646 8.811 -0.165 17896 920 1 4 . 1 1 36 36 LYS N N 36 115.927 115.927 118.957 -3.030 17896 921 1 4 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.193 0.410 17896 922 1 4 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.448 -0.164 17896 923 1 4 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.262 1.577 17896 924 1 4 . 1 1 36 36 LYS H H 36 8.125 8.125 7.623 0.502 17896 925 1 4 . 1 1 37 37 ASN N N 37 114.474 114.474 115.851 -1.377 17896 926 1 4 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.547 0.187 17896 927 1 4 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.687 0.747 17896 928 1 4 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.751 0.053 17896 929 1 4 . 1 1 37 37 ASN H H 37 8.238 8.238 8.606 -0.368 17896 930 1 4 . 1 1 38 38 LYS N N 38 115.022 115.022 117.529 -2.507 17896 931 1 4 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.320 0.144 17896 932 1 4 . 1 1 38 38 LYS CA C 38 56.614 56.614 57.841 -1.227 17896 933 1 4 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.904 -0.818 17896 934 1 4 . 1 1 38 38 LYS H H 38 8.761 8.761 8.505 0.256 17896 935 1 4 . 1 1 39 39 TYR N N 39 117.018 117.018 117.436 -0.418 17896 936 1 4 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.634 0.076 17896 937 1 4 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.835 -0.458 17896 938 1 4 . 1 1 39 39 TYR H H 39 7.098 7.098 7.912 -0.814 17896 939 1 4 . 1 1 40 40 ASN N N 40 123.636 123.636 120.115 3.521 17896 940 1 4 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.181 0.195 17896 941 1 4 . 1 1 40 40 ASN H H 40 8.904 8.904 8.606 0.298 17896 942 1 4 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.497 -0.607 17896 943 1 4 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.109 0.361 17896 944 1 4 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.232 0.229 17896 945 1 4 . 1 1 42 42 SER N N 42 125.765 125.765 117.808 7.957 17896 946 1 4 . 1 1 42 42 SER HA H 42 4.571 4.571 4.456 0.115 17896 947 1 4 . 1 1 42 42 SER CA C 42 58.198 58.198 58.449 -0.251 17896 948 1 4 . 1 1 42 42 SER H H 42 8.107 8.107 8.289 -0.182 17896 949 1 4 . 1 1 43 43 LEU N N 43 120.617 120.617 125.368 -4.751 17896 950 1 4 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.957 0.057 17896 951 1 4 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.114 0.132 17896 952 1 4 . 1 1 43 43 LEU H H 43 9.322 9.322 8.850 0.472 17896 953 1 4 . 1 1 44 44 GLN N N 44 115.972 115.972 118.172 -2.200 17896 954 1 4 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.072 -0.337 17896 955 1 4 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.194 1.679 17896 956 1 4 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.287 0.863 17896 957 1 4 . 1 1 44 44 GLN H H 44 8.952 8.952 8.731 0.221 17896 958 1 4 . 1 1 45 45 LEU N N 45 119.443 119.443 116.205 3.238 17896 959 1 4 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.341 -0.681 17896 960 1 4 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.045 -2.183 17896 961 1 4 . 1 1 45 45 LEU H H 45 8.129 8.129 7.358 0.771 17896 962 1 4 . 1 1 46 46 ALA N N 46 120.485 120.485 123.669 -3.184 17896 963 1 4 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.054 0.006 17896 964 1 4 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.366 1.119 17896 965 1 4 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.197 2.544 17896 966 1 4 . 1 1 46 46 ALA H H 46 8.531 8.531 9.105 -0.574 17896 967 1 4 . 1 1 47 47 LEU N N 47 116.554 116.554 119.387 -2.833 17896 968 1 4 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.019 0.193 17896 969 1 4 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.314 0.087 17896 970 1 4 . 1 1 47 47 LEU H H 47 8.761 8.761 8.607 0.154 17896 971 1 4 . 1 1 48 48 LYS N N 48 121.029 121.029 119.589 1.440 17896 972 1 4 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.017 -0.336 17896 973 1 4 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.089 0.638 17896 974 1 4 . 1 1 48 48 LYS H H 48 8.068 8.068 7.371 0.697 17896 975 1 4 . 1 1 49 49 ILE N N 49 120.454 120.454 120.752 -0.298 17896 976 1 4 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.925 -0.251 17896 977 1 4 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.357 3.745 17896 978 1 4 . 1 1 49 49 ILE H H 49 8.822 8.822 8.841 -0.019 17896 979 1 4 . 1 1 50 50 ALA N N 50 120.394 120.394 122.910 -2.516 17896 980 1 4 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.052 0.061 17896 981 1 4 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.381 0.915 17896 982 1 4 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.769 1.163 17896 983 1 4 . 1 1 50 50 ALA H H 50 8.217 8.217 8.927 -0.710 17896 984 1 4 . 1 1 51 51 TYR N N 51 117.083 117.083 120.177 -3.094 17896 985 1 4 . 1 1 51 51 TYR HA H 51 4.371 4.371 3.992 0.379 17896 986 1 4 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.200 0.096 17896 987 1 4 . 1 1 51 51 TYR H H 51 8.187 8.187 8.366 -0.179 17896 988 1 4 . 1 1 52 52 TYR N N 52 118.569 118.569 117.001 1.568 17896 989 1 4 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.171 0.138 17896 990 1 4 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.356 2.396 17896 991 1 4 . 1 1 52 52 TYR H H 52 9.091 9.091 7.939 1.152 17896 992 1 4 . 1 1 53 53 LEU N N 53 115.465 115.465 118.720 -3.255 17896 993 1 4 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.103 0.479 17896 994 1 4 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.387 -0.251 17896 995 1 4 . 1 1 53 53 LEU H H 53 8.443 8.443 8.588 -0.145 17896 996 1 4 . 1 1 54 54 ASN N N 54 122.105 122.105 114.565 7.540 17896 997 1 4 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.295 0.155 17896 998 1 4 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.703 -0.049 17896 999 1 4 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.991 1.494 17896 1000 1 4 . 1 1 54 54 ASN H H 54 8.099 8.099 7.738 0.361 17896 1001 1 4 . 1 1 55 55 THR N N 55 114.942 114.942 114.729 0.213 17896 1002 1 4 . 1 1 55 55 THR HA H 55 5.014 5.014 4.844 0.170 17896 1003 1 4 . 1 1 55 55 THR CA C 55 60.889 60.889 59.901 0.988 17896 1004 1 4 . 1 1 55 55 THR CB C 55 75.500 75.500 71.728 3.772 17896 1005 1 4 . 1 1 55 55 THR H H 55 8.277 8.277 8.206 0.071 17896 1006 1 4 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.633 -0.054 17896 1007 1 4 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.076 1.200 17896 1008 1 4 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.683 -0.448 17896 1009 1 4 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.065 0.106 17896 1010 1 4 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.391 2.231 17896 1011 1 4 . 1 1 58 58 GLU N N 58 123.079 123.079 118.385 4.694 17896 1012 1 4 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.143 0.619 17896 1013 1 4 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.174 0.635 17896 1014 1 4 . 1 1 58 58 GLU H H 58 9.387 9.387 8.755 0.632 17896 1015 1 4 . 1 1 59 59 ASP N N 59 117.677 117.677 117.749 -0.072 17896 1016 1 4 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.517 0.073 17896 1017 1 4 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.465 0.160 17896 1018 1 4 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.171 -0.280 17896 1019 1 4 . 1 1 59 59 ASP H H 59 8.035 8.035 8.444 -0.409 17896 1020 1 4 . 1 1 60 60 ILE N N 60 119.506 119.506 112.070 7.436 17896 1021 1 4 . 1 1 60 60 ILE H H 60 8.238 8.238 7.529 0.709 17896 1022 1 4 . 1 1 61 61 PHE N N 61 115.913 115.913 123.025 -7.112 17896 1023 1 4 . 1 1 61 61 PHE H H 61 8.548 8.548 8.594 -0.046 17896 1024 1 4 . 1 1 62 62 GLN N N 62 116.558 116.558 121.006 -4.448 17896 1025 1 4 . 1 1 62 62 GLN H H 62 8.808 8.808 7.643 1.165 17896 1026 1 4 . 1 1 63 63 TRP N N 63 125.624 125.624 121.430 4.194 17896 1027 1 4 . 1 1 63 63 TRP H H 63 9.515 9.515 8.647 0.868 17896 1028 1 4 . 1 1 64 64 GLN N N 64 127.215 127.215 124.560 2.655 17896 1029 1 4 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.238 2.335 17896 1030 1 4 . 1 1 64 64 GLN H H 64 8.023 8.023 8.471 -0.448 17896 1031 1 4 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.475 0.235 17896 1032 1 4 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.498 -0.698 17896 1033 1 5 . 1 1 2 2 ILE N N 2 123.023 123.023 118.938 4.085 17896 1034 1 5 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.696 2.236 17896 1035 1 5 . 1 1 2 2 ILE H H 2 9.199 9.199 7.735 1.464 17896 1036 1 5 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.206 0.293 17896 1037 1 5 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.972 0.811 17896 1038 1 5 . 1 1 3 3 ILE CB C 3 39.555 39.555 39.859 -0.304 17896 1039 1 5 . 1 1 4 4 ASN N N 4 124.021 124.021 124.030 -0.009 17896 1040 1 5 . 1 1 4 4 ASN CB C 4 40.713 40.713 39.595 1.118 17896 1041 1 5 . 1 1 4 4 ASN H H 4 9.123 9.123 8.704 0.419 17896 1042 1 5 . 1 1 6 6 LEU N N 6 120.649 120.649 123.008 -2.359 17896 1043 1 5 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.154 -0.370 17896 1044 1 5 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.849 2.750 17896 1045 1 5 . 1 1 6 6 LEU H H 6 8.602 8.602 7.968 0.634 17896 1046 1 5 . 1 1 7 7 LYS N N 7 118.177 118.177 118.152 0.025 17896 1047 1 5 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.898 0.034 17896 1048 1 5 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.987 2.319 17896 1049 1 5 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.252 1.182 17896 1050 1 5 . 1 1 7 7 LYS H H 7 8.972 8.972 8.089 0.883 17896 1051 1 5 . 1 1 8 8 LEU N N 8 116.322 116.322 119.871 -3.549 17896 1052 1 5 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.248 -0.058 17896 1053 1 5 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.983 0.307 17896 1054 1 5 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.919 1.840 17896 1055 1 5 . 1 1 8 8 LEU H H 8 7.743 7.743 7.924 -0.181 17896 1056 1 5 . 1 1 9 9 ILE N N 9 119.138 119.138 119.449 -0.311 17896 1057 1 5 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.708 0.206 17896 1058 1 5 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.532 0.327 17896 1059 1 5 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.459 1.225 17896 1060 1 5 . 1 1 9 9 ILE H H 9 8.239 8.239 8.308 -0.069 17896 1061 1 5 . 1 1 10 10 ARG N N 10 120.186 120.186 121.295 -1.109 17896 1062 1 5 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.897 -0.007 17896 1063 1 5 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.893 1.775 17896 1064 1 5 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.435 -1.041 17896 1065 1 5 . 1 1 10 10 ARG H H 10 9.291 9.291 8.726 0.565 17896 1066 1 5 . 1 1 11 11 GLU N N 11 115.814 115.814 117.413 -1.599 17896 1067 1 5 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.085 0.116 17896 1068 1 5 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.955 1.331 17896 1069 1 5 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.992 0.821 17896 1070 1 5 . 1 1 11 11 GLU H H 11 8.732 8.732 8.701 0.031 17896 1071 1 5 . 1 1 12 12 LYS N N 12 122.969 122.969 120.309 2.660 17896 1072 1 5 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.121 0.102 17896 1073 1 5 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.573 1.644 17896 1074 1 5 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.220 0.678 17896 1075 1 5 . 1 1 12 12 LYS H H 12 8.275 8.275 7.609 0.666 17896 1076 1 5 . 1 1 13 13 LYS N N 13 116.324 116.324 116.087 0.237 17896 1077 1 5 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.325 -0.013 17896 1078 1 5 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.123 -0.192 17896 1079 1 5 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.008 -0.255 17896 1080 1 5 . 1 1 13 13 LYS H H 13 7.800 7.800 7.564 0.236 17896 1081 1 5 . 1 1 14 14 LYS N N 14 115.342 115.342 114.077 1.265 17896 1082 1 5 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.868 0.177 17896 1083 1 5 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.789 1.265 17896 1084 1 5 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.186 -0.138 17896 1085 1 5 . 1 1 14 14 LYS H H 14 8.090 8.090 7.565 0.525 17896 1086 1 5 . 1 1 15 15 ILE N N 15 118.356 118.356 120.737 -2.381 17896 1087 1 5 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.163 0.471 17896 1088 1 5 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.983 -0.303 17896 1089 1 5 . 1 1 15 15 ILE CB C 15 41.559 41.559 39.107 2.452 17896 1090 1 5 . 1 1 15 15 ILE H H 15 7.593 7.593 7.398 0.195 17896 1091 1 5 . 1 1 16 16 SER N N 16 125.139 125.139 124.033 1.106 17896 1092 1 5 . 1 1 16 16 SER HA H 16 4.571 4.571 4.560 0.011 17896 1093 1 5 . 1 1 16 16 SER CA C 16 57.781 57.781 57.711 0.070 17896 1094 1 5 . 1 1 16 16 SER H H 16 9.500 9.500 8.387 1.113 17896 1095 1 5 . 1 1 17 17 GLN N N 17 120.188 120.188 120.825 -0.637 17896 1096 1 5 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.985 -0.106 17896 1097 1 5 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.776 2.885 17896 1098 1 5 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.284 1.460 17896 1099 1 5 . 1 1 17 17 GLN H H 17 9.575 9.575 8.964 0.611 17896 1100 1 5 . 1 1 18 18 SER N N 18 113.031 113.031 114.935 -1.904 17896 1101 1 5 . 1 1 18 18 SER H H 18 9.031 9.031 8.497 0.534 17896 1102 1 5 . 1 1 19 19 GLU N N 19 124.044 124.044 121.190 2.854 17896 1103 1 5 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.125 0.057 17896 1104 1 5 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.398 0.011 17896 1105 1 5 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.549 0.890 17896 1106 1 5 . 1 1 19 19 GLU H H 19 8.381 8.381 7.760 0.621 17896 1107 1 5 . 1 1 20 20 LEU N N 20 120.001 120.001 117.488 2.513 17896 1108 1 5 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.409 -0.310 17896 1109 1 5 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.779 0.671 17896 1110 1 5 . 1 1 20 20 LEU H H 20 8.340 8.340 7.449 0.891 17896 1111 1 5 . 1 1 21 21 ALA N N 21 119.822 119.822 120.399 -0.577 17896 1112 1 5 . 1 1 21 21 ALA HA H 21 3.596 3.596 4.051 -0.455 17896 1113 1 5 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.654 0.154 17896 1114 1 5 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.052 -0.296 17896 1115 1 5 . 1 1 21 21 ALA H H 21 8.632 8.632 8.299 0.333 17896 1116 1 5 . 1 1 22 22 ALA N N 22 117.186 117.186 120.420 -3.234 17896 1117 1 5 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.082 0.200 17896 1118 1 5 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.304 1.228 17896 1119 1 5 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.352 0.201 17896 1120 1 5 . 1 1 22 22 ALA H H 22 7.847 7.847 7.811 0.036 17896 1121 1 5 . 1 1 23 23 LEU N N 23 118.505 118.505 118.072 0.433 17896 1122 1 5 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.045 0.006 17896 1123 1 5 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.653 1.474 17896 1124 1 5 . 1 1 23 23 LEU H H 23 7.546 7.546 7.518 0.028 17896 1125 1 5 . 1 1 24 24 LEU N N 24 114.492 114.492 111.397 3.095 17896 1126 1 5 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.278 0.008 17896 1127 1 5 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.819 0.875 17896 1128 1 5 . 1 1 24 24 LEU H H 24 7.450 7.450 7.383 0.067 17896 1129 1 5 . 1 1 25 25 GLU N N 25 114.844 114.844 114.437 0.407 17896 1130 1 5 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.984 0.062 17896 1131 1 5 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.249 0.984 17896 1132 1 5 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.005 -0.112 17896 1133 1 5 . 1 1 25 25 GLU H H 25 8.045 8.045 7.927 0.118 17896 1134 1 5 . 1 1 26 26 VAL N N 26 109.674 109.674 112.182 -2.508 17896 1135 1 5 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.454 0.316 17896 1136 1 5 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.414 -1.071 17896 1137 1 5 . 1 1 26 26 VAL H H 26 8.012 8.012 7.301 0.711 17896 1138 1 5 . 1 1 27 27 SER N N 27 114.352 114.352 116.520 -2.168 17896 1139 1 5 . 1 1 27 27 SER CB C 27 63.110 63.110 63.687 -0.577 17896 1140 1 5 . 1 1 27 27 SER H H 27 8.672 8.672 8.264 0.408 17896 1141 1 5 . 1 1 28 28 ARG N N 28 115.247 115.247 127.018 -11.771 17896 1142 1 5 . 1 1 28 28 ARG HA H 28 3.759 3.759 4.048 -0.289 17896 1143 1 5 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.764 0.994 17896 1144 1 5 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.209 -0.259 17896 1145 1 5 . 1 1 28 28 ARG H H 28 8.263 8.263 8.905 -0.642 17896 1146 1 5 . 1 1 29 29 GLN N N 29 117.283 117.283 117.035 0.248 17896 1147 1 5 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.149 0.050 17896 1148 1 5 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.047 0.966 17896 1149 1 5 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.760 0.708 17896 1150 1 5 . 1 1 29 29 GLN H H 29 8.866 8.866 8.815 0.051 17896 1151 1 5 . 1 1 30 30 THR N N 30 119.955 119.955 114.414 5.541 17896 1152 1 5 . 1 1 30 30 THR HA H 30 4.454 4.454 4.033 0.421 17896 1153 1 5 . 1 1 30 30 THR CA C 30 68.781 68.781 65.031 3.750 17896 1154 1 5 . 1 1 30 30 THR CB C 30 67.567 67.567 68.413 -0.846 17896 1155 1 5 . 1 1 30 30 THR H H 30 8.168 8.168 7.939 0.229 17896 1156 1 5 . 1 1 31 31 ILE N N 31 118.777 118.777 122.416 -3.639 17896 1157 1 5 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.751 0.048 17896 1158 1 5 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.674 -1.745 17896 1159 1 5 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.795 -1.818 17896 1160 1 5 . 1 1 31 31 ILE H H 31 7.159 7.159 7.720 -0.561 17896 1161 1 5 . 1 1 32 32 ASN N N 32 118.007 118.007 118.907 -0.900 17896 1162 1 5 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.458 -0.087 17896 1163 1 5 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.372 1.680 17896 1164 1 5 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.309 1.772 17896 1165 1 5 . 1 1 32 32 ASN H H 32 8.692 8.692 7.803 0.889 17896 1166 1 5 . 1 1 33 33 GLY N N 33 124.878 124.878 108.652 16.226 17896 1167 1 5 . 1 1 33 33 GLY H H 33 8.688 8.688 8.290 0.398 17896 1168 1 5 . 1 1 34 34 ILE N N 34 122.256 122.256 122.996 -0.740 17896 1169 1 5 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.763 0.549 17896 1170 1 5 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.304 1.150 17896 1171 1 5 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.932 1.254 17896 1172 1 5 . 1 1 34 34 ILE H H 34 8.244 8.244 8.956 -0.712 17896 1173 1 5 . 1 1 35 35 GLU N N 35 120.621 120.621 118.993 1.628 17896 1174 1 5 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.192 0.122 17896 1175 1 5 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.662 1.930 17896 1176 1 5 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.437 0.315 17896 1177 1 5 . 1 1 35 35 GLU H H 35 8.646 8.646 8.057 0.589 17896 1178 1 5 . 1 1 36 36 LYS N N 36 115.927 115.927 119.303 -3.376 17896 1179 1 5 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.190 0.413 17896 1180 1 5 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.589 -0.305 17896 1181 1 5 . 1 1 36 36 LYS CB C 36 32.839 32.839 30.930 1.909 17896 1182 1 5 . 1 1 36 36 LYS H H 36 8.125 8.125 7.611 0.514 17896 1183 1 5 . 1 1 37 37 ASN N N 37 114.474 114.474 115.062 -0.588 17896 1184 1 5 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.551 0.183 17896 1185 1 5 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.637 0.797 17896 1186 1 5 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.650 0.154 17896 1187 1 5 . 1 1 37 37 ASN H H 37 8.238 8.238 8.693 -0.455 17896 1188 1 5 . 1 1 38 38 LYS N N 38 115.022 115.022 117.872 -2.850 17896 1189 1 5 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.584 -0.120 17896 1190 1 5 . 1 1 38 38 LYS CA C 38 56.614 56.614 57.642 -1.028 17896 1191 1 5 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.151 -1.065 17896 1192 1 5 . 1 1 38 38 LYS H H 38 8.761 8.761 8.447 0.314 17896 1193 1 5 . 1 1 39 39 TYR N N 39 117.018 117.018 118.603 -1.585 17896 1194 1 5 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.594 0.116 17896 1195 1 5 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.447 -1.070 17896 1196 1 5 . 1 1 39 39 TYR H H 39 7.098 7.098 8.183 -1.085 17896 1197 1 5 . 1 1 40 40 ASN N N 40 123.636 123.636 122.360 1.276 17896 1198 1 5 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.815 0.561 17896 1199 1 5 . 1 1 40 40 ASN H H 40 8.904 8.904 7.939 0.965 17896 1200 1 5 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.255 -0.365 17896 1201 1 5 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.471 -0.001 17896 1202 1 5 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.961 0.500 17896 1203 1 5 . 1 1 42 42 SER N N 42 125.765 125.765 118.631 7.134 17896 1204 1 5 . 1 1 42 42 SER HA H 42 4.571 4.571 4.401 0.170 17896 1205 1 5 . 1 1 42 42 SER CA C 42 58.198 58.198 58.013 0.185 17896 1206 1 5 . 1 1 42 42 SER H H 42 8.107 8.107 9.052 -0.945 17896 1207 1 5 . 1 1 43 43 LEU N N 43 120.617 120.617 125.400 -4.783 17896 1208 1 5 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.988 0.026 17896 1209 1 5 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.645 0.600 17896 1210 1 5 . 1 1 43 43 LEU H H 43 9.322 9.322 8.841 0.481 17896 1211 1 5 . 1 1 44 44 GLN N N 44 115.972 115.972 117.373 -1.401 17896 1212 1 5 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.034 -0.299 17896 1213 1 5 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.828 2.045 17896 1214 1 5 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.182 0.968 17896 1215 1 5 . 1 1 44 44 GLN H H 44 8.952 8.952 8.203 0.749 17896 1216 1 5 . 1 1 45 45 LEU N N 45 119.443 119.443 120.423 -0.980 17896 1217 1 5 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.081 -0.421 17896 1218 1 5 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.500 -2.638 17896 1219 1 5 . 1 1 45 45 LEU H H 45 8.129 8.129 7.806 0.323 17896 1220 1 5 . 1 1 46 46 ALA N N 46 120.485 120.485 121.517 -1.032 17896 1221 1 5 . 1 1 46 46 ALA HA H 46 4.060 4.060 3.996 0.064 17896 1222 1 5 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.025 1.460 17896 1223 1 5 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.948 2.792 17896 1224 1 5 . 1 1 46 46 ALA H H 46 8.531 8.531 8.906 -0.375 17896 1225 1 5 . 1 1 47 47 LEU N N 47 116.554 116.554 119.356 -2.802 17896 1226 1 5 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.013 0.199 17896 1227 1 5 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.318 0.083 17896 1228 1 5 . 1 1 47 47 LEU H H 47 8.761 8.761 7.790 0.971 17896 1229 1 5 . 1 1 48 48 LYS N N 48 121.029 121.029 119.152 1.877 17896 1230 1 5 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.098 -0.417 17896 1231 1 5 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.049 0.678 17896 1232 1 5 . 1 1 48 48 LYS H H 48 8.068 8.068 7.600 0.468 17896 1233 1 5 . 1 1 49 49 ILE N N 49 120.454 120.454 120.689 -0.235 17896 1234 1 5 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.969 -0.295 17896 1235 1 5 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.141 3.961 17896 1236 1 5 . 1 1 49 49 ILE H H 49 8.822 8.822 7.585 1.237 17896 1237 1 5 . 1 1 50 50 ALA N N 50 120.394 120.394 123.004 -2.610 17896 1238 1 5 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.979 0.134 17896 1239 1 5 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.368 0.928 17896 1240 1 5 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.702 1.230 17896 1241 1 5 . 1 1 50 50 ALA H H 50 8.217 8.217 8.873 -0.656 17896 1242 1 5 . 1 1 51 51 TYR N N 51 117.083 117.083 119.986 -2.903 17896 1243 1 5 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.098 0.273 17896 1244 1 5 . 1 1 51 51 TYR CA C 51 62.296 62.296 61.356 0.940 17896 1245 1 5 . 1 1 51 51 TYR H H 51 8.187 8.187 8.679 -0.492 17896 1246 1 5 . 1 1 52 52 TYR N N 52 118.569 118.569 120.004 -1.435 17896 1247 1 5 . 1 1 52 52 TYR HA H 52 4.309 4.309 3.480 0.829 17896 1248 1 5 . 1 1 52 52 TYR CA C 52 63.752 63.752 60.261 3.491 17896 1249 1 5 . 1 1 52 52 TYR H H 52 9.091 9.091 7.433 1.658 17896 1250 1 5 . 1 1 53 53 LEU N N 53 115.465 115.465 119.077 -3.612 17896 1251 1 5 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.072 0.510 17896 1252 1 5 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.229 -0.093 17896 1253 1 5 . 1 1 53 53 LEU H H 53 8.443 8.443 8.430 0.013 17896 1254 1 5 . 1 1 54 54 ASN N N 54 122.105 122.105 113.651 8.454 17896 1255 1 5 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.252 0.198 17896 1256 1 5 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.814 -0.159 17896 1257 1 5 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.631 1.854 17896 1258 1 5 . 1 1 54 54 ASN H H 54 8.099 8.099 7.487 0.612 17896 1259 1 5 . 1 1 55 55 THR N N 55 114.942 114.942 115.447 -0.505 17896 1260 1 5 . 1 1 55 55 THR HA H 55 5.014 5.014 4.625 0.389 17896 1261 1 5 . 1 1 55 55 THR CA C 55 60.889 60.889 60.291 0.598 17896 1262 1 5 . 1 1 55 55 THR CB C 55 75.500 75.500 71.122 4.378 17896 1263 1 5 . 1 1 55 55 THR H H 55 8.277 8.277 8.116 0.161 17896 1264 1 5 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.559 0.020 17896 1265 1 5 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.264 1.012 17896 1266 1 5 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.637 -0.402 17896 1267 1 5 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.983 0.188 17896 1268 1 5 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.626 1.996 17896 1269 1 5 . 1 1 58 58 GLU N N 58 123.079 123.079 116.594 6.485 17896 1270 1 5 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.072 0.690 17896 1271 1 5 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.827 -0.018 17896 1272 1 5 . 1 1 58 58 GLU H H 58 9.387 9.387 8.777 0.610 17896 1273 1 5 . 1 1 59 59 ASP N N 59 117.677 117.677 118.808 -1.131 17896 1274 1 5 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.549 0.041 17896 1275 1 5 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.643 -0.018 17896 1276 1 5 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.000 -0.109 17896 1277 1 5 . 1 1 59 59 ASP H H 59 8.035 8.035 8.031 0.004 17896 1278 1 5 . 1 1 60 60 ILE N N 60 119.506 119.506 115.225 4.281 17896 1279 1 5 . 1 1 60 60 ILE H H 60 8.238 8.238 7.652 0.586 17896 1280 1 5 . 1 1 61 61 PHE N N 61 115.913 115.913 117.702 -1.789 17896 1281 1 5 . 1 1 61 61 PHE H H 61 8.548 8.548 8.453 0.095 17896 1282 1 5 . 1 1 62 62 GLN N N 62 116.558 116.558 118.494 -1.936 17896 1283 1 5 . 1 1 62 62 GLN H H 62 8.808 8.808 7.207 1.601 17896 1284 1 5 . 1 1 63 63 TRP N N 63 125.624 125.624 121.340 4.284 17896 1285 1 5 . 1 1 63 63 TRP H H 63 9.515 9.515 8.454 1.061 17896 1286 1 5 . 1 1 64 64 GLN N N 64 127.215 127.215 119.456 7.759 17896 1287 1 5 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.812 4.761 17896 1288 1 5 . 1 1 64 64 GLN H H 64 8.023 8.023 8.610 -0.587 17896 1289 1 5 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.332 0.378 17896 1290 1 5 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.584 -0.784 17896 1291 1 6 . 1 1 2 2 ILE N N 2 123.023 123.023 121.885 1.138 17896 1292 1 6 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.963 1.969 17896 1293 1 6 . 1 1 2 2 ILE H H 2 9.199 9.199 8.321 0.878 17896 1294 1 6 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.079 0.420 17896 1295 1 6 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.647 1.136 17896 1296 1 6 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.370 2.185 17896 1297 1 6 . 1 1 4 4 ASN N N 4 124.021 124.021 125.522 -1.501 17896 1298 1 6 . 1 1 4 4 ASN CB C 4 40.713 40.713 39.729 0.984 17896 1299 1 6 . 1 1 4 4 ASN H H 4 9.123 9.123 8.476 0.647 17896 1300 1 6 . 1 1 6 6 LEU N N 6 120.649 120.649 123.397 -2.748 17896 1301 1 6 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.060 -0.276 17896 1302 1 6 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.314 2.285 17896 1303 1 6 . 1 1 6 6 LEU H H 6 8.602 8.602 8.867 -0.265 17896 1304 1 6 . 1 1 7 7 LYS N N 7 118.177 118.177 118.839 -0.662 17896 1305 1 6 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.013 -0.081 17896 1306 1 6 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.373 1.933 17896 1307 1 6 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.371 1.063 17896 1308 1 6 . 1 1 7 7 LYS H H 7 8.972 8.972 7.841 1.131 17896 1309 1 6 . 1 1 8 8 LEU N N 8 116.322 116.322 121.877 -5.555 17896 1310 1 6 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.137 0.053 17896 1311 1 6 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.764 0.526 17896 1312 1 6 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.138 1.621 17896 1313 1 6 . 1 1 8 8 LEU H H 8 7.743 7.743 7.679 0.064 17896 1314 1 6 . 1 1 9 9 ILE N N 9 119.138 119.138 119.225 -0.087 17896 1315 1 6 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.762 0.152 17896 1316 1 6 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.688 0.170 17896 1317 1 6 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.609 1.075 17896 1318 1 6 . 1 1 9 9 ILE H H 9 8.239 8.239 8.851 -0.612 17896 1319 1 6 . 1 1 10 10 ARG N N 10 120.186 120.186 121.104 -0.918 17896 1320 1 6 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.940 -0.050 17896 1321 1 6 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.852 1.816 17896 1322 1 6 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.304 -0.910 17896 1323 1 6 . 1 1 10 10 ARG H H 10 9.291 9.291 8.645 0.646 17896 1324 1 6 . 1 1 11 11 GLU N N 11 115.814 115.814 117.102 -1.288 17896 1325 1 6 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.200 0.001 17896 1326 1 6 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.642 1.643 17896 1327 1 6 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.895 0.919 17896 1328 1 6 . 1 1 11 11 GLU H H 11 8.732 8.732 8.157 0.575 17896 1329 1 6 . 1 1 12 12 LYS N N 12 122.969 122.969 121.259 1.710 17896 1330 1 6 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.116 0.107 17896 1331 1 6 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.565 1.652 17896 1332 1 6 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.046 0.852 17896 1333 1 6 . 1 1 12 12 LYS H H 12 8.275 8.275 7.495 0.780 17896 1334 1 6 . 1 1 13 13 LYS N N 13 116.324 116.324 115.764 0.560 17896 1335 1 6 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.336 -0.024 17896 1336 1 6 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.971 -0.040 17896 1337 1 6 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.534 -0.781 17896 1338 1 6 . 1 1 13 13 LYS H H 13 7.800 7.800 7.588 0.212 17896 1339 1 6 . 1 1 14 14 LYS N N 14 115.342 115.342 113.775 1.567 17896 1340 1 6 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.966 0.079 17896 1341 1 6 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.738 1.316 17896 1342 1 6 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.226 -0.178 17896 1343 1 6 . 1 1 14 14 LYS H H 14 8.090 8.090 8.066 0.024 17896 1344 1 6 . 1 1 15 15 ILE N N 15 118.356 118.356 120.547 -2.191 17896 1345 1 6 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.011 0.623 17896 1346 1 6 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.944 -0.264 17896 1347 1 6 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.703 2.856 17896 1348 1 6 . 1 1 15 15 ILE H H 15 7.593 7.593 7.884 -0.291 17896 1349 1 6 . 1 1 16 16 SER N N 16 125.139 125.139 122.107 3.032 17896 1350 1 6 . 1 1 16 16 SER HA H 16 4.571 4.571 4.693 -0.122 17896 1351 1 6 . 1 1 16 16 SER CA C 16 57.781 57.781 57.654 0.127 17896 1352 1 6 . 1 1 16 16 SER H H 16 9.500 9.500 9.146 0.354 17896 1353 1 6 . 1 1 17 17 GLN N N 17 120.188 120.188 122.022 -1.834 17896 1354 1 6 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.959 -0.080 17896 1355 1 6 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.117 2.546 17896 1356 1 6 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.211 1.533 17896 1357 1 6 . 1 1 17 17 GLN H H 17 9.575 9.575 8.979 0.596 17896 1358 1 6 . 1 1 18 18 SER N N 18 113.031 113.031 114.562 -1.531 17896 1359 1 6 . 1 1 18 18 SER H H 18 9.031 9.031 8.547 0.484 17896 1360 1 6 . 1 1 19 19 GLU N N 19 124.044 124.044 120.963 3.081 17896 1361 1 6 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.115 0.067 17896 1362 1 6 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.309 0.100 17896 1363 1 6 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.657 0.782 17896 1364 1 6 . 1 1 19 19 GLU H H 19 8.381 8.381 7.661 0.720 17896 1365 1 6 . 1 1 20 20 LEU N N 20 120.001 120.001 116.822 3.179 17896 1366 1 6 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.459 -0.360 17896 1367 1 6 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.232 1.218 17896 1368 1 6 . 1 1 20 20 LEU H H 20 8.340 8.340 7.440 0.900 17896 1369 1 6 . 1 1 21 21 ALA N N 21 119.822 119.822 120.869 -1.047 17896 1370 1 6 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.946 -0.350 17896 1371 1 6 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.532 0.276 17896 1372 1 6 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.390 -0.634 17896 1373 1 6 . 1 1 21 21 ALA H H 21 8.632 8.632 8.640 -0.008 17896 1374 1 6 . 1 1 22 22 ALA N N 22 117.186 117.186 121.343 -4.157 17896 1375 1 6 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.043 0.239 17896 1376 1 6 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.637 0.895 17896 1377 1 6 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.377 0.176 17896 1378 1 6 . 1 1 22 22 ALA H H 22 7.847 7.847 7.412 0.435 17896 1379 1 6 . 1 1 23 23 LEU N N 23 118.505 118.505 117.977 0.528 17896 1380 1 6 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.894 0.157 17896 1381 1 6 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.714 1.413 17896 1382 1 6 . 1 1 23 23 LEU H H 23 7.546 7.546 7.795 -0.249 17896 1383 1 6 . 1 1 24 24 LEU N N 24 114.492 114.492 111.680 2.812 17896 1384 1 6 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.292 -0.006 17896 1385 1 6 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.895 0.799 17896 1386 1 6 . 1 1 24 24 LEU H H 24 7.450 7.450 7.376 0.074 17896 1387 1 6 . 1 1 25 25 GLU N N 25 114.844 114.844 114.850 -0.006 17896 1388 1 6 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.937 0.109 17896 1389 1 6 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.377 0.856 17896 1390 1 6 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.196 -0.303 17896 1391 1 6 . 1 1 25 25 GLU H H 25 8.045 8.045 8.272 -0.227 17896 1392 1 6 . 1 1 26 26 VAL N N 26 109.674 109.674 112.120 -2.446 17896 1393 1 6 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.453 0.317 17896 1394 1 6 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.162 -0.819 17896 1395 1 6 . 1 1 26 26 VAL H H 26 8.012 8.012 7.224 0.788 17896 1396 1 6 . 1 1 27 27 SER N N 27 114.352 114.352 116.576 -2.224 17896 1397 1 6 . 1 1 27 27 SER CB C 27 63.110 63.110 63.676 -0.566 17896 1398 1 6 . 1 1 27 27 SER H H 27 8.672 8.672 8.277 0.395 17896 1399 1 6 . 1 1 28 28 ARG N N 28 115.247 115.247 127.452 -12.205 17896 1400 1 6 . 1 1 28 28 ARG HA H 28 3.759 3.759 4.003 -0.244 17896 1401 1 6 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.049 0.709 17896 1402 1 6 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.162 -0.212 17896 1403 1 6 . 1 1 28 28 ARG H H 28 8.263 8.263 8.933 -0.670 17896 1404 1 6 . 1 1 29 29 GLN N N 29 117.283 117.283 116.373 0.910 17896 1405 1 6 . 1 1 29 29 GLN HA H 29 4.199 4.199 3.996 0.203 17896 1406 1 6 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.079 0.934 17896 1407 1 6 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.433 1.035 17896 1408 1 6 . 1 1 29 29 GLN H H 29 8.866 8.866 8.834 0.032 17896 1409 1 6 . 1 1 30 30 THR N N 30 119.955 119.955 114.901 5.054 17896 1410 1 6 . 1 1 30 30 THR HA H 30 4.454 4.454 4.012 0.442 17896 1411 1 6 . 1 1 30 30 THR CA C 30 68.781 68.781 65.508 3.272 17896 1412 1 6 . 1 1 30 30 THR CB C 30 67.567 67.567 67.995 -0.428 17896 1413 1 6 . 1 1 30 30 THR H H 30 8.168 8.168 7.949 0.219 17896 1414 1 6 . 1 1 31 31 ILE N N 31 118.777 118.777 122.869 -4.092 17896 1415 1 6 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.642 0.157 17896 1416 1 6 . 1 1 31 31 ILE CA C 31 61.929 61.929 64.000 -2.071 17896 1417 1 6 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.845 -1.868 17896 1418 1 6 . 1 1 31 31 ILE H H 31 7.159 7.159 7.694 -0.535 17896 1419 1 6 . 1 1 32 32 ASN N N 32 118.007 118.007 118.720 -0.713 17896 1420 1 6 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.418 -0.047 17896 1421 1 6 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.373 1.679 17896 1422 1 6 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.180 1.901 17896 1423 1 6 . 1 1 32 32 ASN H H 32 8.692 8.692 8.249 0.443 17896 1424 1 6 . 1 1 33 33 GLY N N 33 124.878 124.878 108.188 16.690 17896 1425 1 6 . 1 1 33 33 GLY H H 33 8.688 8.688 8.246 0.442 17896 1426 1 6 . 1 1 34 34 ILE N N 34 122.256 122.256 121.541 0.715 17896 1427 1 6 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.729 0.583 17896 1428 1 6 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.387 2.067 17896 1429 1 6 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.607 1.579 17896 1430 1 6 . 1 1 34 34 ILE H H 34 8.244 8.244 8.510 -0.266 17896 1431 1 6 . 1 1 35 35 GLU N N 35 120.621 120.621 119.037 1.584 17896 1432 1 6 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.072 0.242 17896 1433 1 6 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.294 1.298 17896 1434 1 6 . 1 1 35 35 GLU CB C 35 29.752 29.752 28.997 0.755 17896 1435 1 6 . 1 1 35 35 GLU H H 35 8.646 8.646 8.528 0.118 17896 1436 1 6 . 1 1 36 36 LYS N N 36 115.927 115.927 116.532 -0.605 17896 1437 1 6 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.249 0.354 17896 1438 1 6 . 1 1 36 36 LYS CA C 36 56.284 56.284 55.994 0.290 17896 1439 1 6 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.275 1.564 17896 1440 1 6 . 1 1 36 36 LYS H H 36 8.125 8.125 8.026 0.099 17896 1441 1 6 . 1 1 37 37 ASN N N 37 114.474 114.474 115.708 -1.234 17896 1442 1 6 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.580 0.154 17896 1443 1 6 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.594 0.840 17896 1444 1 6 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.645 0.159 17896 1445 1 6 . 1 1 37 37 ASN H H 37 8.238 8.238 8.158 0.080 17896 1446 1 6 . 1 1 38 38 LYS N N 38 115.022 115.022 118.057 -3.035 17896 1447 1 6 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.522 -0.058 17896 1448 1 6 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.619 -2.005 17896 1449 1 6 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.259 -1.173 17896 1450 1 6 . 1 1 38 38 LYS H H 38 8.761 8.761 8.494 0.267 17896 1451 1 6 . 1 1 39 39 TYR N N 39 117.018 117.018 114.390 2.628 17896 1452 1 6 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.658 0.052 17896 1453 1 6 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.068 0.309 17896 1454 1 6 . 1 1 39 39 TYR H H 39 7.098 7.098 7.534 -0.436 17896 1455 1 6 . 1 1 40 40 ASN N N 40 123.636 123.636 118.312 5.324 17896 1456 1 6 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.580 0.796 17896 1457 1 6 . 1 1 40 40 ASN H H 40 8.904 8.904 8.474 0.430 17896 1458 1 6 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.465 -0.575 17896 1459 1 6 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.642 -0.172 17896 1460 1 6 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.855 0.606 17896 1461 1 6 . 1 1 42 42 SER N N 42 125.765 125.765 118.452 7.313 17896 1462 1 6 . 1 1 42 42 SER HA H 42 4.571 4.571 4.265 0.306 17896 1463 1 6 . 1 1 42 42 SER CA C 42 58.198 58.198 59.203 -1.005 17896 1464 1 6 . 1 1 42 42 SER H H 42 8.107 8.107 8.428 -0.321 17896 1465 1 6 . 1 1 43 43 LEU N N 43 120.617 120.617 126.083 -5.466 17896 1466 1 6 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.029 -0.015 17896 1467 1 6 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.869 0.376 17896 1468 1 6 . 1 1 43 43 LEU H H 43 9.322 9.322 8.868 0.454 17896 1469 1 6 . 1 1 44 44 GLN N N 44 115.972 115.972 118.673 -2.701 17896 1470 1 6 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.115 -0.380 17896 1471 1 6 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.905 1.967 17896 1472 1 6 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.195 0.955 17896 1473 1 6 . 1 1 44 44 GLN H H 44 8.952 8.952 8.470 0.482 17896 1474 1 6 . 1 1 45 45 LEU N N 45 119.443 119.443 120.424 -0.981 17896 1475 1 6 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.106 -0.446 17896 1476 1 6 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.673 -2.811 17896 1477 1 6 . 1 1 45 45 LEU H H 45 8.129 8.129 7.867 0.262 17896 1478 1 6 . 1 1 46 46 ALA N N 46 120.485 120.485 122.015 -1.530 17896 1479 1 6 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.117 -0.057 17896 1480 1 6 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.110 1.375 17896 1481 1 6 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.254 2.487 17896 1482 1 6 . 1 1 46 46 ALA H H 46 8.531 8.531 9.031 -0.500 17896 1483 1 6 . 1 1 47 47 LEU N N 47 116.554 116.554 118.807 -2.253 17896 1484 1 6 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.917 0.295 17896 1485 1 6 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.264 0.137 17896 1486 1 6 . 1 1 47 47 LEU H H 47 8.761 8.761 8.875 -0.114 17896 1487 1 6 . 1 1 48 48 LYS N N 48 121.029 121.029 119.186 1.843 17896 1488 1 6 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.188 -0.507 17896 1489 1 6 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.242 1.485 17896 1490 1 6 . 1 1 48 48 LYS H H 48 8.068 8.068 7.372 0.696 17896 1491 1 6 . 1 1 49 49 ILE N N 49 120.454 120.454 120.691 -0.237 17896 1492 1 6 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.061 -0.387 17896 1493 1 6 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.145 3.957 17896 1494 1 6 . 1 1 49 49 ILE H H 49 8.822 8.822 8.309 0.513 17896 1495 1 6 . 1 1 50 50 ALA N N 50 120.394 120.394 123.117 -2.723 17896 1496 1 6 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.961 0.152 17896 1497 1 6 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.818 0.478 17896 1498 1 6 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.471 1.461 17896 1499 1 6 . 1 1 50 50 ALA H H 50 8.217 8.217 8.904 -0.687 17896 1500 1 6 . 1 1 51 51 TYR N N 51 117.083 117.083 117.916 -0.833 17896 1501 1 6 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.045 0.326 17896 1502 1 6 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.193 0.103 17896 1503 1 6 . 1 1 51 51 TYR H H 51 8.187 8.187 7.889 0.298 17896 1504 1 6 . 1 1 52 52 TYR N N 52 118.569 118.569 117.319 1.250 17896 1505 1 6 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.369 -0.060 17896 1506 1 6 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.395 2.357 17896 1507 1 6 . 1 1 52 52 TYR H H 52 9.091 9.091 7.523 1.568 17896 1508 1 6 . 1 1 53 53 LEU N N 53 115.465 115.465 116.973 -1.508 17896 1509 1 6 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.360 0.222 17896 1510 1 6 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.880 -0.744 17896 1511 1 6 . 1 1 53 53 LEU H H 53 8.443 8.443 8.456 -0.013 17896 1512 1 6 . 1 1 54 54 ASN N N 54 122.105 122.105 115.628 6.477 17896 1513 1 6 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.402 0.048 17896 1514 1 6 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.816 -0.161 17896 1515 1 6 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.312 1.173 17896 1516 1 6 . 1 1 54 54 ASN H H 54 8.099 8.099 7.838 0.261 17896 1517 1 6 . 1 1 55 55 THR N N 55 114.942 114.942 115.728 -0.786 17896 1518 1 6 . 1 1 55 55 THR HA H 55 5.014 5.014 4.640 0.374 17896 1519 1 6 . 1 1 55 55 THR CA C 55 60.889 60.889 59.851 1.038 17896 1520 1 6 . 1 1 55 55 THR CB C 55 75.500 75.500 71.178 4.322 17896 1521 1 6 . 1 1 55 55 THR H H 55 8.277 8.277 7.891 0.386 17896 1522 1 6 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.428 0.151 17896 1523 1 6 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.289 0.987 17896 1524 1 6 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.358 -0.123 17896 1525 1 6 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.115 0.056 17896 1526 1 6 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.095 2.527 17896 1527 1 6 . 1 1 58 58 GLU N N 58 123.079 123.079 117.582 5.497 17896 1528 1 6 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.144 0.618 17896 1529 1 6 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.681 0.128 17896 1530 1 6 . 1 1 58 58 GLU H H 58 9.387 9.387 8.722 0.665 17896 1531 1 6 . 1 1 59 59 ASP N N 59 117.677 117.677 118.970 -1.293 17896 1532 1 6 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.458 0.132 17896 1533 1 6 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.910 -0.285 17896 1534 1 6 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.035 -0.144 17896 1535 1 6 . 1 1 59 59 ASP H H 59 8.035 8.035 7.796 0.239 17896 1536 1 6 . 1 1 60 60 ILE N N 60 119.506 119.506 113.608 5.898 17896 1537 1 6 . 1 1 60 60 ILE H H 60 8.238 8.238 7.495 0.743 17896 1538 1 6 . 1 1 61 61 PHE N N 61 115.913 115.913 121.018 -5.105 17896 1539 1 6 . 1 1 61 61 PHE H H 61 8.548 8.548 8.672 -0.124 17896 1540 1 6 . 1 1 62 62 GLN N N 62 116.558 116.558 119.020 -2.462 17896 1541 1 6 . 1 1 62 62 GLN H H 62 8.808 8.808 7.981 0.827 17896 1542 1 6 . 1 1 63 63 TRP N N 63 125.624 125.624 125.259 0.365 17896 1543 1 6 . 1 1 63 63 TRP H H 63 9.515 9.515 8.996 0.519 17896 1544 1 6 . 1 1 64 64 GLN N N 64 127.215 127.215 120.383 6.832 17896 1545 1 6 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.084 3.489 17896 1546 1 6 . 1 1 64 64 GLN H H 64 8.023 8.023 8.235 -0.212 17896 1547 1 6 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.434 0.276 17896 1548 1 6 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.366 -0.566 17896 1549 1 7 . 1 1 2 2 ILE N N 2 123.023 123.023 121.059 1.964 17896 1550 1 7 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.557 1.375 17896 1551 1 7 . 1 1 2 2 ILE H H 2 9.199 9.199 7.599 1.600 17896 1552 1 7 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.895 0.604 17896 1553 1 7 . 1 1 3 3 ILE CA C 3 60.783 60.783 62.866 -2.083 17896 1554 1 7 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.381 1.174 17896 1555 1 7 . 1 1 4 4 ASN N N 4 124.021 124.021 119.366 4.655 17896 1556 1 7 . 1 1 4 4 ASN CB C 4 40.713 40.713 37.762 2.951 17896 1557 1 7 . 1 1 4 4 ASN H H 4 9.123 9.123 9.338 -0.215 17896 1558 1 7 . 1 1 6 6 LEU N N 6 120.649 120.649 123.161 -2.512 17896 1559 1 7 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.139 -0.355 17896 1560 1 7 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.052 2.547 17896 1561 1 7 . 1 1 6 6 LEU H H 6 8.602 8.602 8.902 -0.300 17896 1562 1 7 . 1 1 7 7 LYS N N 7 118.177 118.177 118.227 -0.050 17896 1563 1 7 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.964 -0.032 17896 1564 1 7 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.045 2.261 17896 1565 1 7 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.260 1.174 17896 1566 1 7 . 1 1 7 7 LYS H H 7 8.972 8.972 8.031 0.941 17896 1567 1 7 . 1 1 8 8 LEU N N 8 116.322 116.322 120.845 -4.523 17896 1568 1 7 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.292 -0.102 17896 1569 1 7 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.714 0.576 17896 1570 1 7 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.171 1.588 17896 1571 1 7 . 1 1 8 8 LEU H H 8 7.743 7.743 7.793 -0.050 17896 1572 1 7 . 1 1 9 9 ILE N N 9 119.138 119.138 119.136 0.002 17896 1573 1 7 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.686 0.228 17896 1574 1 7 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.025 -0.167 17896 1575 1 7 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.635 1.049 17896 1576 1 7 . 1 1 9 9 ILE H H 9 8.239 8.239 8.434 -0.195 17896 1577 1 7 . 1 1 10 10 ARG N N 10 120.186 120.186 120.576 -0.390 17896 1578 1 7 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.898 -0.008 17896 1579 1 7 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.135 1.533 17896 1580 1 7 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.400 -1.006 17896 1581 1 7 . 1 1 10 10 ARG H H 10 9.291 9.291 7.993 1.298 17896 1582 1 7 . 1 1 11 11 GLU N N 11 115.814 115.814 118.097 -2.283 17896 1583 1 7 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.140 0.061 17896 1584 1 7 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.773 1.513 17896 1585 1 7 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.166 0.648 17896 1586 1 7 . 1 1 11 11 GLU H H 11 8.732 8.732 7.835 0.897 17896 1587 1 7 . 1 1 12 12 LYS N N 12 122.969 122.969 119.942 3.027 17896 1588 1 7 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.062 0.161 17896 1589 1 7 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.354 1.863 17896 1590 1 7 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.325 0.573 17896 1591 1 7 . 1 1 12 12 LYS H H 12 8.275 8.275 8.013 0.262 17896 1592 1 7 . 1 1 13 13 LYS N N 13 116.324 116.324 114.541 1.783 17896 1593 1 7 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.286 0.026 17896 1594 1 7 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.083 -0.152 17896 1595 1 7 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.715 -0.962 17896 1596 1 7 . 1 1 13 13 LYS H H 13 7.800 7.800 7.583 0.217 17896 1597 1 7 . 1 1 14 14 LYS N N 14 115.342 115.342 116.156 -0.814 17896 1598 1 7 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.942 0.103 17896 1599 1 7 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.913 1.141 17896 1600 1 7 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.362 -0.314 17896 1601 1 7 . 1 1 14 14 LYS H H 14 8.090 8.090 7.883 0.207 17896 1602 1 7 . 1 1 15 15 ILE N N 15 118.356 118.356 120.771 -2.415 17896 1603 1 7 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.245 0.389 17896 1604 1 7 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.514 0.166 17896 1605 1 7 . 1 1 15 15 ILE CB C 15 41.559 41.559 40.173 1.386 17896 1606 1 7 . 1 1 15 15 ILE H H 15 7.593 7.593 7.986 -0.393 17896 1607 1 7 . 1 1 16 16 SER N N 16 125.139 125.139 121.597 3.542 17896 1608 1 7 . 1 1 16 16 SER HA H 16 4.571 4.571 4.540 0.031 17896 1609 1 7 . 1 1 16 16 SER CA C 16 57.781 57.781 57.904 -0.123 17896 1610 1 7 . 1 1 16 16 SER H H 16 9.500 9.500 9.242 0.258 17896 1611 1 7 . 1 1 17 17 GLN N N 17 120.188 120.188 124.017 -3.829 17896 1612 1 7 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.000 -0.121 17896 1613 1 7 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.424 3.238 17896 1614 1 7 . 1 1 17 17 GLN CB C 17 29.744 29.744 27.379 2.365 17896 1615 1 7 . 1 1 17 17 GLN H H 17 9.575 9.575 9.001 0.574 17896 1616 1 7 . 1 1 18 18 SER N N 18 113.031 113.031 116.583 -3.552 17896 1617 1 7 . 1 1 18 18 SER H H 18 9.031 9.031 7.772 1.259 17896 1618 1 7 . 1 1 19 19 GLU N N 19 124.044 124.044 120.443 3.601 17896 1619 1 7 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.140 0.042 17896 1620 1 7 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.173 0.236 17896 1621 1 7 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.615 0.824 17896 1622 1 7 . 1 1 19 19 GLU H H 19 8.381 8.381 7.871 0.510 17896 1623 1 7 . 1 1 20 20 LEU N N 20 120.001 120.001 116.058 3.943 17896 1624 1 7 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.436 -0.337 17896 1625 1 7 . 1 1 20 20 LEU CA C 20 58.450 58.450 55.552 2.898 17896 1626 1 7 . 1 1 20 20 LEU H H 20 8.340 8.340 7.391 0.949 17896 1627 1 7 . 1 1 21 21 ALA N N 21 119.822 119.822 123.117 -3.295 17896 1628 1 7 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.826 -0.230 17896 1629 1 7 . 1 1 21 21 ALA CA C 21 54.808 54.808 55.169 -0.361 17896 1630 1 7 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.261 -0.504 17896 1631 1 7 . 1 1 21 21 ALA H H 21 8.632 8.632 8.899 -0.267 17896 1632 1 7 . 1 1 22 22 ALA N N 22 117.186 117.186 119.201 -2.015 17896 1633 1 7 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.055 0.227 17896 1634 1 7 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.136 1.396 17896 1635 1 7 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.392 0.161 17896 1636 1 7 . 1 1 22 22 ALA H H 22 7.847 7.847 8.255 -0.408 17896 1637 1 7 . 1 1 23 23 LEU N N 23 118.505 118.505 118.565 -0.060 17896 1638 1 7 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.956 0.095 17896 1639 1 7 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.318 0.809 17896 1640 1 7 . 1 1 23 23 LEU H H 23 7.546 7.546 7.659 -0.113 17896 1641 1 7 . 1 1 24 24 LEU N N 24 114.492 114.492 111.241 3.251 17896 1642 1 7 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.248 0.038 17896 1643 1 7 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.837 0.858 17896 1644 1 7 . 1 1 24 24 LEU H H 24 7.450 7.450 7.345 0.105 17896 1645 1 7 . 1 1 25 25 GLU N N 25 114.844 114.844 114.377 0.467 17896 1646 1 7 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.942 0.104 17896 1647 1 7 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.320 0.913 17896 1648 1 7 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.159 -0.266 17896 1649 1 7 . 1 1 25 25 GLU H H 25 8.045 8.045 7.593 0.452 17896 1650 1 7 . 1 1 26 26 VAL N N 26 109.674 109.674 112.172 -2.498 17896 1651 1 7 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.524 0.246 17896 1652 1 7 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.360 -1.017 17896 1653 1 7 . 1 1 26 26 VAL H H 26 8.012 8.012 7.322 0.690 17896 1654 1 7 . 1 1 27 27 SER N N 27 114.352 114.352 115.974 -1.622 17896 1655 1 7 . 1 1 27 27 SER CB C 27 63.110 63.110 63.621 -0.511 17896 1656 1 7 . 1 1 27 27 SER H H 27 8.672 8.672 8.462 0.210 17896 1657 1 7 . 1 1 28 28 ARG N N 28 115.247 115.247 126.765 -11.518 17896 1658 1 7 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.869 -0.110 17896 1659 1 7 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.217 0.541 17896 1660 1 7 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.061 -0.111 17896 1661 1 7 . 1 1 28 28 ARG H H 28 8.263 8.263 8.974 -0.711 17896 1662 1 7 . 1 1 29 29 GLN N N 29 117.283 117.283 117.251 0.032 17896 1663 1 7 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.123 0.076 17896 1664 1 7 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.561 0.452 17896 1665 1 7 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.790 0.678 17896 1666 1 7 . 1 1 29 29 GLN H H 29 8.866 8.866 8.918 -0.052 17896 1667 1 7 . 1 1 30 30 THR N N 30 119.955 119.955 114.224 5.731 17896 1668 1 7 . 1 1 30 30 THR HA H 30 4.454 4.454 4.035 0.419 17896 1669 1 7 . 1 1 30 30 THR CA C 30 68.781 68.781 65.572 3.209 17896 1670 1 7 . 1 1 30 30 THR CB C 30 67.567 67.567 68.005 -0.438 17896 1671 1 7 . 1 1 30 30 THR H H 30 8.168 8.168 7.942 0.226 17896 1672 1 7 . 1 1 31 31 ILE N N 31 118.777 118.777 122.929 -4.152 17896 1673 1 7 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.623 0.176 17896 1674 1 7 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.884 -1.955 17896 1675 1 7 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.859 -1.882 17896 1676 1 7 . 1 1 31 31 ILE H H 31 7.159 7.159 8.222 -1.063 17896 1677 1 7 . 1 1 32 32 ASN N N 32 118.007 118.007 118.164 -0.157 17896 1678 1 7 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.371 -0.000 17896 1679 1 7 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.383 1.669 17896 1680 1 7 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.558 1.523 17896 1681 1 7 . 1 1 32 32 ASN H H 32 8.692 8.692 8.908 -0.216 17896 1682 1 7 . 1 1 33 33 GLY N N 33 124.878 124.878 107.866 17.012 17896 1683 1 7 . 1 1 33 33 GLY H H 33 8.688 8.688 8.138 0.550 17896 1684 1 7 . 1 1 34 34 ILE N N 34 122.256 122.256 121.429 0.827 17896 1685 1 7 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.742 0.570 17896 1686 1 7 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.868 1.586 17896 1687 1 7 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.828 1.358 17896 1688 1 7 . 1 1 34 34 ILE H H 34 8.244 8.244 8.529 -0.285 17896 1689 1 7 . 1 1 35 35 GLU N N 35 120.621 120.621 119.606 1.015 17896 1690 1 7 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.144 0.170 17896 1691 1 7 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.943 1.649 17896 1692 1 7 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.432 0.320 17896 1693 1 7 . 1 1 35 35 GLU H H 35 8.646 8.646 8.497 0.149 17896 1694 1 7 . 1 1 36 36 LYS N N 36 115.927 115.927 118.674 -2.747 17896 1695 1 7 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.220 0.383 17896 1696 1 7 . 1 1 36 36 LYS CA C 36 56.284 56.284 55.948 0.336 17896 1697 1 7 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.116 1.723 17896 1698 1 7 . 1 1 36 36 LYS H H 36 8.125 8.125 7.668 0.457 17896 1699 1 7 . 1 1 37 37 ASN N N 37 114.474 114.474 116.230 -1.756 17896 1700 1 7 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.590 0.144 17896 1701 1 7 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.444 0.990 17896 1702 1 7 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.618 0.186 17896 1703 1 7 . 1 1 37 37 ASN H H 37 8.238 8.238 8.121 0.117 17896 1704 1 7 . 1 1 38 38 LYS N N 38 115.022 115.022 118.440 -3.418 17896 1705 1 7 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.521 -0.057 17896 1706 1 7 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.237 -1.623 17896 1707 1 7 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.824 -0.738 17896 1708 1 7 . 1 1 38 38 LYS H H 38 8.761 8.761 8.451 0.310 17896 1709 1 7 . 1 1 39 39 TYR N N 39 117.018 117.018 114.039 2.979 17896 1710 1 7 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.682 0.028 17896 1711 1 7 . 1 1 39 39 TYR CA C 39 56.377 56.377 55.948 0.429 17896 1712 1 7 . 1 1 39 39 TYR H H 39 7.098 7.098 7.450 -0.352 17896 1713 1 7 . 1 1 40 40 ASN N N 40 123.636 123.636 119.690 3.946 17896 1714 1 7 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.878 0.498 17896 1715 1 7 . 1 1 40 40 ASN H H 40 8.904 8.904 8.543 0.361 17896 1716 1 7 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.491 -0.601 17896 1717 1 7 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.151 0.319 17896 1718 1 7 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.198 0.263 17896 1719 1 7 . 1 1 42 42 SER N N 42 125.765 125.765 117.690 8.075 17896 1720 1 7 . 1 1 42 42 SER HA H 42 4.571 4.571 4.345 0.226 17896 1721 1 7 . 1 1 42 42 SER CA C 42 58.198 58.198 58.928 -0.730 17896 1722 1 7 . 1 1 42 42 SER H H 42 8.107 8.107 8.328 -0.221 17896 1723 1 7 . 1 1 43 43 LEU N N 43 120.617 120.617 125.861 -5.244 17896 1724 1 7 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.015 -0.001 17896 1725 1 7 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.048 0.197 17896 1726 1 7 . 1 1 43 43 LEU H H 43 9.322 9.322 8.919 0.403 17896 1727 1 7 . 1 1 44 44 GLN N N 44 115.972 115.972 118.515 -2.543 17896 1728 1 7 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.089 -0.354 17896 1729 1 7 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.839 2.033 17896 1730 1 7 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.704 1.446 17896 1731 1 7 . 1 1 44 44 GLN H H 44 8.952 8.952 8.466 0.486 17896 1732 1 7 . 1 1 45 45 LEU N N 45 119.443 119.443 120.238 -0.795 17896 1733 1 7 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.113 -0.453 17896 1734 1 7 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.351 -2.489 17896 1735 1 7 . 1 1 45 45 LEU H H 45 8.129 8.129 7.807 0.322 17896 1736 1 7 . 1 1 46 46 ALA N N 46 120.485 120.485 121.743 -1.258 17896 1737 1 7 . 1 1 46 46 ALA HA H 46 4.060 4.060 3.964 0.096 17896 1738 1 7 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.288 1.197 17896 1739 1 7 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.722 2.019 17896 1740 1 7 . 1 1 46 46 ALA H H 46 8.531 8.531 8.923 -0.392 17896 1741 1 7 . 1 1 47 47 LEU N N 47 116.554 116.554 116.391 0.163 17896 1742 1 7 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.135 0.077 17896 1743 1 7 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.462 -0.061 17896 1744 1 7 . 1 1 47 47 LEU H H 47 8.761 8.761 8.591 0.170 17896 1745 1 7 . 1 1 48 48 LYS N N 48 121.029 121.029 118.976 2.053 17896 1746 1 7 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.153 -0.472 17896 1747 1 7 . 1 1 48 48 LYS CA C 48 60.727 60.727 58.938 1.789 17896 1748 1 7 . 1 1 48 48 LYS H H 48 8.068 8.068 7.659 0.409 17896 1749 1 7 . 1 1 49 49 ILE N N 49 120.454 120.454 119.458 0.996 17896 1750 1 7 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.914 -0.240 17896 1751 1 7 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.191 3.911 17896 1752 1 7 . 1 1 49 49 ILE H H 49 8.822 8.822 7.432 1.390 17896 1753 1 7 . 1 1 50 50 ALA N N 50 120.394 120.394 123.081 -2.687 17896 1754 1 7 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.971 0.142 17896 1755 1 7 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.429 0.867 17896 1756 1 7 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.758 1.174 17896 1757 1 7 . 1 1 50 50 ALA H H 50 8.217 8.217 9.009 -0.792 17896 1758 1 7 . 1 1 51 51 TYR N N 51 117.083 117.083 117.506 -0.423 17896 1759 1 7 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.171 0.200 17896 1760 1 7 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.364 -0.068 17896 1761 1 7 . 1 1 51 51 TYR H H 51 8.187 8.187 7.879 0.308 17896 1762 1 7 . 1 1 52 52 TYR N N 52 118.569 118.569 117.442 1.127 17896 1763 1 7 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.308 0.001 17896 1764 1 7 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.304 2.447 17896 1765 1 7 . 1 1 52 52 TYR H H 52 9.091 9.091 8.002 1.089 17896 1766 1 7 . 1 1 53 53 LEU N N 53 115.465 115.465 118.595 -3.130 17896 1767 1 7 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.284 0.298 17896 1768 1 7 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.353 -0.217 17896 1769 1 7 . 1 1 53 53 LEU H H 53 8.443 8.443 8.178 0.265 17896 1770 1 7 . 1 1 54 54 ASN N N 54 122.105 122.105 114.441 7.664 17896 1771 1 7 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.433 0.017 17896 1772 1 7 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.998 -0.343 17896 1773 1 7 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.473 2.012 17896 1774 1 7 . 1 1 54 54 ASN H H 54 8.099 8.099 8.126 -0.027 17896 1775 1 7 . 1 1 55 55 THR N N 55 114.942 114.942 115.015 -0.073 17896 1776 1 7 . 1 1 55 55 THR HA H 55 5.014 5.014 4.475 0.539 17896 1777 1 7 . 1 1 55 55 THR CA C 55 60.889 60.889 59.394 1.495 17896 1778 1 7 . 1 1 55 55 THR CB C 55 75.500 75.500 70.816 4.684 17896 1779 1 7 . 1 1 55 55 THR H H 55 8.277 8.277 7.962 0.315 17896 1780 1 7 . 1 1 56 56 PRO HA H 56 4.579 4.579 3.161 1.418 17896 1781 1 7 . 1 1 56 56 PRO CA C 56 63.276 63.276 61.745 1.532 17896 1782 1 7 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.370 -0.134 17896 1783 1 7 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.925 0.246 17896 1784 1 7 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.218 2.404 17896 1785 1 7 . 1 1 58 58 GLU N N 58 123.079 123.079 115.655 7.424 17896 1786 1 7 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.093 0.669 17896 1787 1 7 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.080 0.729 17896 1788 1 7 . 1 1 58 58 GLU H H 58 9.387 9.387 8.346 1.041 17896 1789 1 7 . 1 1 59 59 ASP N N 59 117.677 117.677 117.732 -0.055 17896 1790 1 7 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.449 0.141 17896 1791 1 7 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.203 0.422 17896 1792 1 7 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.188 -0.297 17896 1793 1 7 . 1 1 59 59 ASP H H 59 8.035 8.035 7.738 0.297 17896 1794 1 7 . 1 1 60 60 ILE N N 60 119.506 119.506 113.470 6.036 17896 1795 1 7 . 1 1 60 60 ILE H H 60 8.238 8.238 7.282 0.956 17896 1796 1 7 . 1 1 61 61 PHE N N 61 115.913 115.913 122.810 -6.897 17896 1797 1 7 . 1 1 61 61 PHE H H 61 8.548 8.548 8.270 0.278 17896 1798 1 7 . 1 1 62 62 GLN N N 62 116.558 116.558 120.242 -3.684 17896 1799 1 7 . 1 1 62 62 GLN H H 62 8.808 8.808 7.381 1.427 17896 1800 1 7 . 1 1 63 63 TRP N N 63 125.624 125.624 119.076 6.548 17896 1801 1 7 . 1 1 63 63 TRP H H 63 9.515 9.515 7.045 2.470 17896 1802 1 7 . 1 1 64 64 GLN N N 64 127.215 127.215 117.979 9.236 17896 1803 1 7 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.276 4.296 17896 1804 1 7 . 1 1 64 64 GLN H H 64 8.023 8.023 8.455 -0.432 17896 1805 1 7 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.441 0.269 17896 1806 1 7 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.247 -0.447 17896 1807 1 8 . 1 1 2 2 ILE N N 2 123.023 123.023 122.014 1.009 17896 1808 1 8 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.218 2.714 17896 1809 1 8 . 1 1 2 2 ILE H H 2 9.199 9.199 7.788 1.411 17896 1810 1 8 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.395 1.104 17896 1811 1 8 . 1 1 3 3 ILE CA C 3 60.783 60.783 64.247 -3.464 17896 1812 1 8 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.488 3.067 17896 1813 1 8 . 1 1 4 4 ASN N N 4 124.021 124.021 116.394 7.627 17896 1814 1 8 . 1 1 4 4 ASN CB C 4 40.713 40.713 37.764 2.949 17896 1815 1 8 . 1 1 4 4 ASN H H 4 9.123 9.123 8.881 0.242 17896 1816 1 8 . 1 1 6 6 LEU N N 6 120.649 120.649 122.922 -2.273 17896 1817 1 8 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.096 -0.312 17896 1818 1 8 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.894 2.705 17896 1819 1 8 . 1 1 6 6 LEU H H 6 8.602 8.602 8.857 -0.255 17896 1820 1 8 . 1 1 7 7 LYS N N 7 118.177 118.177 119.373 -1.196 17896 1821 1 8 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.901 0.031 17896 1822 1 8 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.373 1.933 17896 1823 1 8 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.133 1.301 17896 1824 1 8 . 1 1 7 7 LYS H H 7 8.972 8.972 7.845 1.127 17896 1825 1 8 . 1 1 8 8 LEU N N 8 116.322 116.322 121.414 -5.092 17896 1826 1 8 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.156 0.034 17896 1827 1 8 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.708 0.582 17896 1828 1 8 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.688 2.071 17896 1829 1 8 . 1 1 8 8 LEU H H 8 7.743 7.743 7.820 -0.077 17896 1830 1 8 . 1 1 9 9 ILE N N 9 119.138 119.138 119.434 -0.296 17896 1831 1 8 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.645 0.269 17896 1832 1 8 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.059 -0.201 17896 1833 1 8 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.423 1.261 17896 1834 1 8 . 1 1 9 9 ILE H H 9 8.239 8.239 8.529 -0.290 17896 1835 1 8 . 1 1 10 10 ARG N N 10 120.186 120.186 120.830 -0.644 17896 1836 1 8 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.900 -0.010 17896 1837 1 8 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.047 1.621 17896 1838 1 8 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.339 -0.945 17896 1839 1 8 . 1 1 10 10 ARG H H 10 9.291 9.291 8.486 0.805 17896 1840 1 8 . 1 1 11 11 GLU N N 11 115.814 115.814 119.754 -3.940 17896 1841 1 8 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.078 0.123 17896 1842 1 8 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.265 1.021 17896 1843 1 8 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.832 0.982 17896 1844 1 8 . 1 1 11 11 GLU H H 11 8.732 8.732 8.622 0.110 17896 1845 1 8 . 1 1 12 12 LYS N N 12 122.969 122.969 120.152 2.817 17896 1846 1 8 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.110 0.113 17896 1847 1 8 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.820 1.397 17896 1848 1 8 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.427 0.471 17896 1849 1 8 . 1 1 12 12 LYS H H 12 8.275 8.275 8.493 -0.218 17896 1850 1 8 . 1 1 13 13 LYS N N 13 116.324 116.324 116.033 0.291 17896 1851 1 8 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.303 0.009 17896 1852 1 8 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.276 -0.345 17896 1853 1 8 . 1 1 13 13 LYS CB C 13 31.753 31.753 33.037 -1.284 17896 1854 1 8 . 1 1 13 13 LYS H H 13 7.800 7.800 7.681 0.119 17896 1855 1 8 . 1 1 14 14 LYS N N 14 115.342 115.342 117.278 -1.936 17896 1856 1 8 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.938 0.107 17896 1857 1 8 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.948 1.106 17896 1858 1 8 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.555 -0.507 17896 1859 1 8 . 1 1 14 14 LYS H H 14 8.090 8.090 7.960 0.130 17896 1860 1 8 . 1 1 15 15 ILE N N 15 118.356 118.356 120.630 -2.274 17896 1861 1 8 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.384 0.250 17896 1862 1 8 . 1 1 15 15 ILE CA C 15 60.680 60.680 59.139 1.541 17896 1863 1 8 . 1 1 15 15 ILE CB C 15 41.559 41.559 41.871 -0.312 17896 1864 1 8 . 1 1 15 15 ILE H H 15 7.593 7.593 8.274 -0.681 17896 1865 1 8 . 1 1 16 16 SER N N 16 125.139 125.139 121.466 3.673 17896 1866 1 8 . 1 1 16 16 SER HA H 16 4.571 4.571 4.364 0.207 17896 1867 1 8 . 1 1 16 16 SER CA C 16 57.781 57.781 58.324 -0.543 17896 1868 1 8 . 1 1 16 16 SER H H 16 9.500 9.500 8.464 1.036 17896 1869 1 8 . 1 1 17 17 GLN N N 17 120.188 120.188 122.676 -2.488 17896 1870 1 8 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.993 -0.114 17896 1871 1 8 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.017 3.646 17896 1872 1 8 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.028 1.716 17896 1873 1 8 . 1 1 17 17 GLN H H 17 9.575 9.575 8.844 0.731 17896 1874 1 8 . 1 1 18 18 SER N N 18 113.031 113.031 116.169 -3.138 17896 1875 1 8 . 1 1 18 18 SER H H 18 9.031 9.031 8.537 0.494 17896 1876 1 8 . 1 1 19 19 GLU N N 19 124.044 124.044 120.002 4.042 17896 1877 1 8 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.128 0.054 17896 1878 1 8 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.582 -0.173 17896 1879 1 8 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.020 1.419 17896 1880 1 8 . 1 1 19 19 GLU H H 19 8.381 8.381 8.716 -0.335 17896 1881 1 8 . 1 1 20 20 LEU N N 20 120.001 120.001 115.697 4.304 17896 1882 1 8 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.365 -0.266 17896 1883 1 8 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.531 0.919 17896 1884 1 8 . 1 1 20 20 LEU H H 20 8.340 8.340 7.431 0.909 17896 1885 1 8 . 1 1 21 21 ALA N N 21 119.822 119.822 121.309 -1.487 17896 1886 1 8 . 1 1 21 21 ALA HA H 21 3.596 3.596 4.079 -0.483 17896 1887 1 8 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.481 0.327 17896 1888 1 8 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.267 -0.510 17896 1889 1 8 . 1 1 21 21 ALA H H 21 8.632 8.632 7.779 0.853 17896 1890 1 8 . 1 1 22 22 ALA N N 22 117.186 117.186 121.497 -4.311 17896 1891 1 8 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.057 0.225 17896 1892 1 8 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.811 0.721 17896 1893 1 8 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.608 -0.055 17896 1894 1 8 . 1 1 22 22 ALA H H 22 7.847 7.847 8.159 -0.312 17896 1895 1 8 . 1 1 23 23 LEU N N 23 118.505 118.505 117.301 1.204 17896 1896 1 8 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.940 0.111 17896 1897 1 8 . 1 1 23 23 LEU CA C 23 58.127 58.127 55.684 2.443 17896 1898 1 8 . 1 1 23 23 LEU H H 23 7.546 7.546 7.830 -0.284 17896 1899 1 8 . 1 1 24 24 LEU N N 24 114.492 114.492 113.449 1.043 17896 1900 1 8 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.299 -0.013 17896 1901 1 8 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.796 0.898 17896 1902 1 8 . 1 1 24 24 LEU H H 24 7.450 7.450 7.353 0.097 17896 1903 1 8 . 1 1 25 25 GLU N N 25 114.844 114.844 114.908 -0.064 17896 1904 1 8 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.987 0.059 17896 1905 1 8 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.009 1.224 17896 1906 1 8 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.051 -0.158 17896 1907 1 8 . 1 1 25 25 GLU H H 25 8.045 8.045 8.379 -0.334 17896 1908 1 8 . 1 1 26 26 VAL N N 26 109.674 109.674 111.236 -1.562 17896 1909 1 8 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.377 0.393 17896 1910 1 8 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.342 -0.999 17896 1911 1 8 . 1 1 26 26 VAL H H 26 8.012 8.012 7.345 0.667 17896 1912 1 8 . 1 1 27 27 SER N N 27 114.352 114.352 117.472 -3.120 17896 1913 1 8 . 1 1 27 27 SER CB C 27 63.110 63.110 63.678 -0.568 17896 1914 1 8 . 1 1 27 27 SER H H 27 8.672 8.672 8.505 0.167 17896 1915 1 8 . 1 1 28 28 ARG N N 28 115.247 115.247 128.532 -13.285 17896 1916 1 8 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.929 -0.170 17896 1917 1 8 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.279 0.478 17896 1918 1 8 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.319 -0.368 17896 1919 1 8 . 1 1 28 28 ARG H H 28 8.263 8.263 8.972 -0.709 17896 1920 1 8 . 1 1 29 29 GLN N N 29 117.283 117.283 116.118 1.165 17896 1921 1 8 . 1 1 29 29 GLN HA H 29 4.199 4.199 3.970 0.229 17896 1922 1 8 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.108 0.905 17896 1923 1 8 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.513 0.955 17896 1924 1 8 . 1 1 29 29 GLN H H 29 8.866 8.866 8.890 -0.024 17896 1925 1 8 . 1 1 30 30 THR N N 30 119.955 119.955 116.436 3.519 17896 1926 1 8 . 1 1 30 30 THR HA H 30 4.454 4.454 4.030 0.424 17896 1927 1 8 . 1 1 30 30 THR CA C 30 68.781 68.781 65.357 3.424 17896 1928 1 8 . 1 1 30 30 THR CB C 30 67.567 67.567 68.217 -0.650 17896 1929 1 8 . 1 1 30 30 THR H H 30 8.168 8.168 7.365 0.803 17896 1930 1 8 . 1 1 31 31 ILE N N 31 118.777 118.777 123.510 -4.733 17896 1931 1 8 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.740 0.059 17896 1932 1 8 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.323 -1.394 17896 1933 1 8 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.115 -1.138 17896 1934 1 8 . 1 1 31 31 ILE H H 31 7.159 7.159 7.724 -0.565 17896 1935 1 8 . 1 1 32 32 ASN N N 32 118.007 118.007 119.114 -1.107 17896 1936 1 8 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.466 -0.095 17896 1937 1 8 . 1 1 32 32 ASN CA C 32 58.052 58.052 57.311 0.741 17896 1938 1 8 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.104 1.977 17896 1939 1 8 . 1 1 32 32 ASN H H 32 8.692 8.692 9.068 -0.376 17896 1940 1 8 . 1 1 33 33 GLY N N 33 124.878 124.878 108.889 15.989 17896 1941 1 8 . 1 1 33 33 GLY H H 33 8.688 8.688 8.387 0.301 17896 1942 1 8 . 1 1 34 34 ILE N N 34 122.256 122.256 120.977 1.279 17896 1943 1 8 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.877 0.435 17896 1944 1 8 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.186 1.268 17896 1945 1 8 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.103 1.083 17896 1946 1 8 . 1 1 34 34 ILE H H 34 8.244 8.244 8.507 -0.263 17896 1947 1 8 . 1 1 35 35 GLU N N 35 120.621 120.621 120.431 0.190 17896 1948 1 8 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.356 -0.042 17896 1949 1 8 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.833 1.759 17896 1950 1 8 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.597 0.155 17896 1951 1 8 . 1 1 35 35 GLU H H 35 8.646 8.646 8.559 0.087 17896 1952 1 8 . 1 1 36 36 LYS N N 36 115.927 115.927 119.644 -3.717 17896 1953 1 8 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.183 0.420 17896 1954 1 8 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.436 -0.152 17896 1955 1 8 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.336 1.503 17896 1956 1 8 . 1 1 36 36 LYS H H 36 8.125 8.125 7.908 0.217 17896 1957 1 8 . 1 1 37 37 ASN N N 37 114.474 114.474 116.153 -1.679 17896 1958 1 8 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.615 0.119 17896 1959 1 8 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.190 1.244 17896 1960 1 8 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.448 0.356 17896 1961 1 8 . 1 1 37 37 ASN H H 37 8.238 8.238 8.623 -0.385 17896 1962 1 8 . 1 1 38 38 LYS N N 38 115.022 115.022 118.226 -3.204 17896 1963 1 8 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.586 -0.122 17896 1964 1 8 . 1 1 38 38 LYS CA C 38 56.614 56.614 57.855 -1.240 17896 1965 1 8 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.352 -1.266 17896 1966 1 8 . 1 1 38 38 LYS H H 38 8.761 8.761 8.599 0.162 17896 1967 1 8 . 1 1 39 39 TYR N N 39 117.018 117.018 115.258 1.760 17896 1968 1 8 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.628 0.082 17896 1969 1 8 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.066 0.311 17896 1970 1 8 . 1 1 39 39 TYR H H 39 7.098 7.098 8.298 -1.200 17896 1971 1 8 . 1 1 40 40 ASN N N 40 123.636 123.636 119.795 3.841 17896 1972 1 8 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.133 0.243 17896 1973 1 8 . 1 1 40 40 ASN H H 40 8.904 8.904 8.213 0.691 17896 1974 1 8 . 1 1 41 41 PRO HA H 41 3.890 3.890 3.937 -0.047 17896 1975 1 8 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.152 0.318 17896 1976 1 8 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.927 0.534 17896 1977 1 8 . 1 1 42 42 SER N N 42 125.765 125.765 118.646 7.119 17896 1978 1 8 . 1 1 42 42 SER HA H 42 4.571 4.571 4.355 0.216 17896 1979 1 8 . 1 1 42 42 SER CA C 42 58.198 58.198 58.288 -0.090 17896 1980 1 8 . 1 1 42 42 SER H H 42 8.107 8.107 8.665 -0.558 17896 1981 1 8 . 1 1 43 43 LEU N N 43 120.617 120.617 124.928 -4.311 17896 1982 1 8 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.042 -0.028 17896 1983 1 8 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.667 0.578 17896 1984 1 8 . 1 1 43 43 LEU H H 43 9.322 9.322 8.863 0.459 17896 1985 1 8 . 1 1 44 44 GLN N N 44 115.972 115.972 118.151 -2.179 17896 1986 1 8 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.015 -0.280 17896 1987 1 8 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.262 1.610 17896 1988 1 8 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.994 1.156 17896 1989 1 8 . 1 1 44 44 GLN H H 44 8.952 8.952 8.328 0.624 17896 1990 1 8 . 1 1 45 45 LEU N N 45 119.443 119.443 120.224 -0.781 17896 1991 1 8 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.095 -0.435 17896 1992 1 8 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.746 -2.884 17896 1993 1 8 . 1 1 45 45 LEU H H 45 8.129 8.129 7.886 0.243 17896 1994 1 8 . 1 1 46 46 ALA N N 46 120.485 120.485 121.927 -1.442 17896 1995 1 8 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.044 0.016 17896 1996 1 8 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.006 1.479 17896 1997 1 8 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.103 2.638 17896 1998 1 8 . 1 1 46 46 ALA H H 46 8.531 8.531 8.955 -0.424 17896 1999 1 8 . 1 1 47 47 LEU N N 47 116.554 116.554 118.550 -1.996 17896 2000 1 8 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.929 0.283 17896 2001 1 8 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.294 0.107 17896 2002 1 8 . 1 1 47 47 LEU H H 47 8.761 8.761 8.745 0.016 17896 2003 1 8 . 1 1 48 48 LYS N N 48 121.029 121.029 118.674 2.355 17896 2004 1 8 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.123 -0.442 17896 2005 1 8 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.472 1.255 17896 2006 1 8 . 1 1 48 48 LYS H H 48 8.068 8.068 7.466 0.602 17896 2007 1 8 . 1 1 49 49 ILE N N 49 120.454 120.454 120.677 -0.223 17896 2008 1 8 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.909 -0.235 17896 2009 1 8 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.853 3.249 17896 2010 1 8 . 1 1 49 49 ILE H H 49 8.822 8.822 7.932 0.890 17896 2011 1 8 . 1 1 50 50 ALA N N 50 120.394 120.394 123.771 -3.377 17896 2012 1 8 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.930 0.183 17896 2013 1 8 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.383 0.913 17896 2014 1 8 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.042 0.890 17896 2015 1 8 . 1 1 50 50 ALA H H 50 8.217 8.217 8.961 -0.744 17896 2016 1 8 . 1 1 51 51 TYR N N 51 117.083 117.083 117.518 -0.435 17896 2017 1 8 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.058 0.313 17896 2018 1 8 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.279 0.017 17896 2019 1 8 . 1 1 51 51 TYR H H 51 8.187 8.187 7.778 0.409 17896 2020 1 8 . 1 1 52 52 TYR N N 52 118.569 118.569 117.643 0.926 17896 2021 1 8 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.370 -0.061 17896 2022 1 8 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.534 2.218 17896 2023 1 8 . 1 1 52 52 TYR H H 52 9.091 9.091 7.651 1.440 17896 2024 1 8 . 1 1 53 53 LEU N N 53 115.465 115.465 118.356 -2.891 17896 2025 1 8 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.281 0.301 17896 2026 1 8 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.732 -0.596 17896 2027 1 8 . 1 1 53 53 LEU H H 53 8.443 8.443 8.591 -0.148 17896 2028 1 8 . 1 1 54 54 ASN N N 54 122.105 122.105 114.966 7.139 17896 2029 1 8 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.452 -0.002 17896 2030 1 8 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.925 -0.270 17896 2031 1 8 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.985 1.500 17896 2032 1 8 . 1 1 54 54 ASN H H 54 8.099 8.099 8.079 0.020 17896 2033 1 8 . 1 1 55 55 THR N N 55 114.942 114.942 114.872 0.070 17896 2034 1 8 . 1 1 55 55 THR HA H 55 5.014 5.014 4.629 0.385 17896 2035 1 8 . 1 1 55 55 THR CA C 55 60.889 60.889 60.345 0.544 17896 2036 1 8 . 1 1 55 55 THR CB C 55 75.500 75.500 71.168 4.332 17896 2037 1 8 . 1 1 55 55 THR H H 55 8.277 8.277 8.408 -0.131 17896 2038 1 8 . 1 1 56 56 PRO HA H 56 4.579 4.579 3.829 0.750 17896 2039 1 8 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.321 0.956 17896 2040 1 8 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.470 -0.235 17896 2041 1 8 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.966 0.205 17896 2042 1 8 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.294 2.328 17896 2043 1 8 . 1 1 58 58 GLU N N 58 123.079 123.079 116.334 6.745 17896 2044 1 8 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.085 0.677 17896 2045 1 8 . 1 1 58 58 GLU CA C 58 59.809 59.809 58.580 1.229 17896 2046 1 8 . 1 1 58 58 GLU H H 58 9.387 9.387 8.428 0.959 17896 2047 1 8 . 1 1 59 59 ASP N N 59 117.677 117.677 119.497 -1.820 17896 2048 1 8 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.464 0.126 17896 2049 1 8 . 1 1 59 59 ASP CA C 59 56.625 56.625 55.687 0.938 17896 2050 1 8 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.280 -0.389 17896 2051 1 8 . 1 1 59 59 ASP H H 59 8.035 8.035 8.047 -0.012 17896 2052 1 8 . 1 1 60 60 ILE N N 60 119.506 119.506 112.945 6.561 17896 2053 1 8 . 1 1 60 60 ILE H H 60 8.238 8.238 7.255 0.983 17896 2054 1 8 . 1 1 61 61 PHE N N 61 115.913 115.913 124.095 -8.182 17896 2055 1 8 . 1 1 61 61 PHE H H 61 8.548 8.548 8.421 0.127 17896 2056 1 8 . 1 1 62 62 GLN N N 62 116.558 116.558 122.687 -6.129 17896 2057 1 8 . 1 1 62 62 GLN H H 62 8.808 8.808 7.644 1.164 17896 2058 1 8 . 1 1 63 63 TRP N N 63 125.624 125.624 124.817 0.807 17896 2059 1 8 . 1 1 63 63 TRP H H 63 9.515 9.515 8.960 0.555 17896 2060 1 8 . 1 1 64 64 GLN N N 64 127.215 127.215 118.540 8.675 17896 2061 1 8 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.335 4.238 17896 2062 1 8 . 1 1 64 64 GLN H H 64 8.023 8.023 8.183 -0.160 17896 2063 1 8 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.330 0.380 17896 2064 1 8 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.212 -0.412 17896 2065 1 9 . 1 1 2 2 ILE N N 2 123.023 123.023 121.684 1.339 17896 2066 1 9 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.692 1.240 17896 2067 1 9 . 1 1 2 2 ILE H H 2 9.199 9.199 8.584 0.615 17896 2068 1 9 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.194 0.305 17896 2069 1 9 . 1 1 3 3 ILE CA C 3 60.783 60.783 60.124 0.659 17896 2070 1 9 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.563 2.992 17896 2071 1 9 . 1 1 4 4 ASN N N 4 124.021 124.021 125.058 -1.037 17896 2072 1 9 . 1 1 4 4 ASN CB C 4 40.713 40.713 40.893 -0.180 17896 2073 1 9 . 1 1 4 4 ASN H H 4 9.123 9.123 8.588 0.535 17896 2074 1 9 . 1 1 6 6 LEU N N 6 120.649 120.649 123.678 -3.029 17896 2075 1 9 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.033 -0.249 17896 2076 1 9 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.540 2.059 17896 2077 1 9 . 1 1 6 6 LEU H H 6 8.602 8.602 9.866 -1.264 17896 2078 1 9 . 1 1 7 7 LYS N N 7 118.177 118.177 118.094 0.083 17896 2079 1 9 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.948 -0.016 17896 2080 1 9 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.472 1.834 17896 2081 1 9 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.541 0.893 17896 2082 1 9 . 1 1 7 7 LYS H H 7 8.972 8.972 7.924 1.048 17896 2083 1 9 . 1 1 8 8 LEU N N 8 116.322 116.322 120.106 -3.784 17896 2084 1 9 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.162 0.028 17896 2085 1 9 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.636 0.654 17896 2086 1 9 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.373 1.386 17896 2087 1 9 . 1 1 8 8 LEU H H 8 7.743 7.743 7.449 0.294 17896 2088 1 9 . 1 1 9 9 ILE N N 9 119.138 119.138 117.975 1.163 17896 2089 1 9 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.732 0.182 17896 2090 1 9 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.185 0.673 17896 2091 1 9 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.803 0.881 17896 2092 1 9 . 1 1 9 9 ILE H H 9 8.239 8.239 7.328 0.911 17896 2093 1 9 . 1 1 10 10 ARG N N 10 120.186 120.186 120.472 -0.286 17896 2094 1 9 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.924 -0.034 17896 2095 1 9 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.821 1.847 17896 2096 1 9 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.426 -1.032 17896 2097 1 9 . 1 1 10 10 ARG H H 10 9.291 9.291 8.804 0.487 17896 2098 1 9 . 1 1 11 11 GLU N N 11 115.814 115.814 117.409 -1.595 17896 2099 1 9 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.078 0.123 17896 2100 1 9 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.118 1.168 17896 2101 1 9 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.793 1.021 17896 2102 1 9 . 1 1 11 11 GLU H H 11 8.732 8.732 7.917 0.815 17896 2103 1 9 . 1 1 12 12 LYS N N 12 122.969 122.969 119.988 2.981 17896 2104 1 9 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.145 0.078 17896 2105 1 9 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.412 1.805 17896 2106 1 9 . 1 1 12 12 LYS CB C 12 32.898 32.898 31.946 0.952 17896 2107 1 9 . 1 1 12 12 LYS H H 12 8.275 8.275 7.812 0.463 17896 2108 1 9 . 1 1 13 13 LYS N N 13 116.324 116.324 115.970 0.354 17896 2109 1 9 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.407 -0.095 17896 2110 1 9 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.547 0.384 17896 2111 1 9 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.538 -0.785 17896 2112 1 9 . 1 1 13 13 LYS H H 13 7.800 7.800 7.551 0.249 17896 2113 1 9 . 1 1 14 14 LYS N N 14 115.342 115.342 115.456 -0.114 17896 2114 1 9 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.938 0.107 17896 2115 1 9 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.910 1.144 17896 2116 1 9 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.296 -0.248 17896 2117 1 9 . 1 1 14 14 LYS H H 14 8.090 8.090 7.790 0.300 17896 2118 1 9 . 1 1 15 15 ILE N N 15 118.356 118.356 120.597 -2.241 17896 2119 1 9 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.092 0.542 17896 2120 1 9 . 1 1 15 15 ILE CA C 15 60.680 60.680 61.792 -1.112 17896 2121 1 9 . 1 1 15 15 ILE CB C 15 41.559 41.559 39.359 2.200 17896 2122 1 9 . 1 1 15 15 ILE H H 15 7.593 7.593 7.397 0.196 17896 2123 1 9 . 1 1 16 16 SER N N 16 125.139 125.139 124.388 0.751 17896 2124 1 9 . 1 1 16 16 SER HA H 16 4.571 4.571 4.711 -0.140 17896 2125 1 9 . 1 1 16 16 SER CA C 16 57.781 57.781 57.464 0.317 17896 2126 1 9 . 1 1 16 16 SER H H 16 9.500 9.500 9.685 -0.185 17896 2127 1 9 . 1 1 17 17 GLN N N 17 120.188 120.188 121.183 -0.995 17896 2128 1 9 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.048 -0.169 17896 2129 1 9 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.550 3.112 17896 2130 1 9 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.005 1.739 17896 2131 1 9 . 1 1 17 17 GLN H H 17 9.575 9.575 8.934 0.641 17896 2132 1 9 . 1 1 18 18 SER N N 18 113.031 113.031 113.959 -0.928 17896 2133 1 9 . 1 1 18 18 SER H H 18 9.031 9.031 8.411 0.620 17896 2134 1 9 . 1 1 19 19 GLU N N 19 124.044 124.044 121.367 2.677 17896 2135 1 9 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.130 0.052 17896 2136 1 9 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.048 0.361 17896 2137 1 9 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.633 0.806 17896 2138 1 9 . 1 1 19 19 GLU H H 19 8.381 8.381 7.674 0.707 17896 2139 1 9 . 1 1 20 20 LEU N N 20 120.001 120.001 116.927 3.074 17896 2140 1 9 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.248 -0.149 17896 2141 1 9 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.166 1.284 17896 2142 1 9 . 1 1 20 20 LEU H H 20 8.340 8.340 7.304 1.036 17896 2143 1 9 . 1 1 21 21 ALA N N 21 119.822 119.822 122.116 -2.294 17896 2144 1 9 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.823 -0.227 17896 2145 1 9 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.984 -0.176 17896 2146 1 9 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.031 -0.275 17896 2147 1 9 . 1 1 21 21 ALA H H 21 8.632 8.632 7.759 0.873 17896 2148 1 9 . 1 1 22 22 ALA N N 22 117.186 117.186 119.314 -2.128 17896 2149 1 9 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.061 0.221 17896 2150 1 9 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.118 1.413 17896 2151 1 9 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.468 0.085 17896 2152 1 9 . 1 1 22 22 ALA H H 22 7.847 7.847 8.373 -0.526 17896 2153 1 9 . 1 1 23 23 LEU N N 23 118.505 118.505 117.575 0.930 17896 2154 1 9 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.977 0.074 17896 2155 1 9 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.803 1.324 17896 2156 1 9 . 1 1 23 23 LEU H H 23 7.546 7.546 7.428 0.118 17896 2157 1 9 . 1 1 24 24 LEU N N 24 114.492 114.492 111.016 3.476 17896 2158 1 9 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.362 -0.076 17896 2159 1 9 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.912 0.782 17896 2160 1 9 . 1 1 24 24 LEU H H 24 7.450 7.450 7.316 0.134 17896 2161 1 9 . 1 1 25 25 GLU N N 25 114.844 114.844 114.440 0.404 17896 2162 1 9 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.947 0.099 17896 2163 1 9 . 1 1 25 25 GLU CA C 25 58.233 58.233 56.965 1.268 17896 2164 1 9 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.556 0.337 17896 2165 1 9 . 1 1 25 25 GLU H H 25 8.045 8.045 7.621 0.424 17896 2166 1 9 . 1 1 26 26 VAL N N 26 109.674 109.674 110.673 -0.999 17896 2167 1 9 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.463 0.307 17896 2168 1 9 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.587 -1.244 17896 2169 1 9 . 1 1 26 26 VAL H H 26 8.012 8.012 7.373 0.639 17896 2170 1 9 . 1 1 27 27 SER N N 27 114.352 114.352 117.078 -2.726 17896 2171 1 9 . 1 1 27 27 SER CB C 27 63.110 63.110 64.067 -0.956 17896 2172 1 9 . 1 1 27 27 SER H H 27 8.672 8.672 8.328 0.344 17896 2173 1 9 . 1 1 28 28 ARG N N 28 115.247 115.247 126.152 -10.905 17896 2174 1 9 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.948 -0.189 17896 2175 1 9 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.094 0.663 17896 2176 1 9 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.128 -0.178 17896 2177 1 9 . 1 1 28 28 ARG H H 28 8.263 8.263 8.965 -0.702 17896 2178 1 9 . 1 1 29 29 GLN N N 29 117.283 117.283 117.415 -0.132 17896 2179 1 9 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.306 -0.107 17896 2180 1 9 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.369 0.644 17896 2181 1 9 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.837 0.631 17896 2182 1 9 . 1 1 29 29 GLN H H 29 8.866 8.866 8.906 -0.040 17896 2183 1 9 . 1 1 30 30 THR N N 30 119.955 119.955 113.750 6.205 17896 2184 1 9 . 1 1 30 30 THR HA H 30 4.454 4.454 4.063 0.391 17896 2185 1 9 . 1 1 30 30 THR CA C 30 68.781 68.781 65.309 3.472 17896 2186 1 9 . 1 1 30 30 THR CB C 30 67.567 67.567 68.115 -0.548 17896 2187 1 9 . 1 1 30 30 THR H H 30 8.168 8.168 8.053 0.115 17896 2188 1 9 . 1 1 31 31 ILE N N 31 118.777 118.777 124.013 -5.236 17896 2189 1 9 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.656 0.143 17896 2190 1 9 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.383 -1.454 17896 2191 1 9 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.395 -1.418 17896 2192 1 9 . 1 1 31 31 ILE H H 31 7.159 7.159 8.358 -1.199 17896 2193 1 9 . 1 1 32 32 ASN N N 32 118.007 118.007 118.396 -0.389 17896 2194 1 9 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.412 -0.041 17896 2195 1 9 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.261 1.791 17896 2196 1 9 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.077 2.005 17896 2197 1 9 . 1 1 32 32 ASN H H 32 8.692 8.692 8.895 -0.203 17896 2198 1 9 . 1 1 33 33 GLY N N 33 124.878 124.878 108.863 16.015 17896 2199 1 9 . 1 1 33 33 GLY H H 33 8.688 8.688 7.920 0.768 17896 2200 1 9 . 1 1 34 34 ILE N N 34 122.256 122.256 122.389 -0.133 17896 2201 1 9 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.717 0.595 17896 2202 1 9 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.747 1.707 17896 2203 1 9 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.630 1.556 17896 2204 1 9 . 1 1 34 34 ILE H H 34 8.244 8.244 8.573 -0.329 17896 2205 1 9 . 1 1 35 35 GLU N N 35 120.621 120.621 119.436 1.185 17896 2206 1 9 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.164 0.150 17896 2207 1 9 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.565 2.027 17896 2208 1 9 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.357 0.395 17896 2209 1 9 . 1 1 35 35 GLU H H 35 8.646 8.646 8.149 0.497 17896 2210 1 9 . 1 1 36 36 LYS N N 36 115.927 115.927 119.271 -3.344 17896 2211 1 9 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.210 0.393 17896 2212 1 9 . 1 1 36 36 LYS CA C 36 56.284 56.284 55.871 0.413 17896 2213 1 9 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.292 1.547 17896 2214 1 9 . 1 1 36 36 LYS H H 36 8.125 8.125 7.243 0.882 17896 2215 1 9 . 1 1 37 37 ASN N N 37 114.474 114.474 116.072 -1.598 17896 2216 1 9 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.583 0.151 17896 2217 1 9 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.446 0.988 17896 2218 1 9 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.615 0.189 17896 2219 1 9 . 1 1 37 37 ASN H H 37 8.238 8.238 8.085 0.153 17896 2220 1 9 . 1 1 38 38 LYS N N 38 115.022 115.022 117.804 -2.782 17896 2221 1 9 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.466 -0.002 17896 2222 1 9 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.428 -1.814 17896 2223 1 9 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.599 -1.513 17896 2224 1 9 . 1 1 38 38 LYS H H 38 8.761 8.761 8.492 0.269 17896 2225 1 9 . 1 1 39 39 TYR N N 39 117.018 117.018 114.728 2.290 17896 2226 1 9 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.635 0.075 17896 2227 1 9 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.034 0.343 17896 2228 1 9 . 1 1 39 39 TYR H H 39 7.098 7.098 7.473 -0.375 17896 2229 1 9 . 1 1 40 40 ASN N N 40 123.636 123.636 119.406 4.230 17896 2230 1 9 . 1 1 40 40 ASN CB C 40 39.376 39.376 40.331 -0.955 17896 2231 1 9 . 1 1 40 40 ASN H H 40 8.904 8.904 8.711 0.193 17896 2232 1 9 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.587 -0.697 17896 2233 1 9 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.136 0.334 17896 2234 1 9 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.308 0.153 17896 2235 1 9 . 1 1 42 42 SER N N 42 125.765 125.765 116.552 9.213 17896 2236 1 9 . 1 1 42 42 SER HA H 42 4.571 4.571 4.292 0.279 17896 2237 1 9 . 1 1 42 42 SER CA C 42 58.198 58.198 58.115 0.083 17896 2238 1 9 . 1 1 42 42 SER H H 42 8.107 8.107 8.229 -0.122 17896 2239 1 9 . 1 1 43 43 LEU N N 43 120.617 120.617 125.221 -4.604 17896 2240 1 9 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.996 0.018 17896 2241 1 9 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.983 0.262 17896 2242 1 9 . 1 1 43 43 LEU H H 43 9.322 9.322 8.822 0.500 17896 2243 1 9 . 1 1 44 44 GLN N N 44 115.972 115.972 118.424 -2.452 17896 2244 1 9 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.097 -0.362 17896 2245 1 9 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.856 2.016 17896 2246 1 9 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.739 1.411 17896 2247 1 9 . 1 1 44 44 GLN H H 44 8.952 8.952 8.364 0.588 17896 2248 1 9 . 1 1 45 45 LEU N N 45 119.443 119.443 120.780 -1.337 17896 2249 1 9 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.122 -0.462 17896 2250 1 9 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.453 -2.591 17896 2251 1 9 . 1 1 45 45 LEU H H 45 8.129 8.129 7.909 0.220 17896 2252 1 9 . 1 1 46 46 ALA N N 46 120.485 120.485 121.358 -0.873 17896 2253 1 9 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.124 -0.064 17896 2254 1 9 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.900 1.585 17896 2255 1 9 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.193 2.548 17896 2256 1 9 . 1 1 46 46 ALA H H 46 8.531 8.531 8.991 -0.460 17896 2257 1 9 . 1 1 47 47 LEU N N 47 116.554 116.554 119.908 -3.354 17896 2258 1 9 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.027 0.185 17896 2259 1 9 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.459 -0.058 17896 2260 1 9 . 1 1 47 47 LEU H H 47 8.761 8.761 8.699 0.062 17896 2261 1 9 . 1 1 48 48 LYS N N 48 121.029 121.029 118.850 2.179 17896 2262 1 9 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.017 -0.336 17896 2263 1 9 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.868 0.859 17896 2264 1 9 . 1 1 48 48 LYS H H 48 8.068 8.068 7.521 0.547 17896 2265 1 9 . 1 1 49 49 ILE N N 49 120.454 120.454 120.622 -0.168 17896 2266 1 9 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.937 -0.263 17896 2267 1 9 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.177 3.925 17896 2268 1 9 . 1 1 49 49 ILE H H 49 8.822 8.822 7.373 1.449 17896 2269 1 9 . 1 1 50 50 ALA N N 50 120.394 120.394 123.123 -2.729 17896 2270 1 9 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.005 0.108 17896 2271 1 9 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.514 0.782 17896 2272 1 9 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.715 1.218 17896 2273 1 9 . 1 1 50 50 ALA H H 50 8.217 8.217 9.066 -0.849 17896 2274 1 9 . 1 1 51 51 TYR N N 51 117.083 117.083 119.726 -2.643 17896 2275 1 9 . 1 1 51 51 TYR HA H 51 4.371 4.371 3.998 0.373 17896 2276 1 9 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.313 -0.017 17896 2277 1 9 . 1 1 51 51 TYR H H 51 8.187 8.187 8.364 -0.177 17896 2278 1 9 . 1 1 52 52 TYR N N 52 118.569 118.569 116.937 1.632 17896 2279 1 9 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.246 0.063 17896 2280 1 9 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.008 2.744 17896 2281 1 9 . 1 1 52 52 TYR H H 52 9.091 9.091 7.628 1.463 17896 2282 1 9 . 1 1 53 53 LEU N N 53 115.465 115.465 118.674 -3.209 17896 2283 1 9 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.253 0.329 17896 2284 1 9 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.456 -0.320 17896 2285 1 9 . 1 1 53 53 LEU H H 53 8.443 8.443 8.479 -0.036 17896 2286 1 9 . 1 1 54 54 ASN N N 54 122.105 122.105 113.719 8.386 17896 2287 1 9 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.355 0.095 17896 2288 1 9 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.902 -0.247 17896 2289 1 9 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.229 1.256 17896 2290 1 9 . 1 1 54 54 ASN H H 54 8.099 8.099 7.639 0.460 17896 2291 1 9 . 1 1 55 55 THR N N 55 114.942 114.942 114.565 0.377 17896 2292 1 9 . 1 1 55 55 THR HA H 55 5.014 5.014 4.628 0.386 17896 2293 1 9 . 1 1 55 55 THR CA C 55 60.889 60.889 60.238 0.651 17896 2294 1 9 . 1 1 55 55 THR CB C 55 75.500 75.500 71.225 4.275 17896 2295 1 9 . 1 1 55 55 THR H H 55 8.277 8.277 8.154 0.123 17896 2296 1 9 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.631 -0.052 17896 2297 1 9 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.008 1.268 17896 2298 1 9 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.798 -0.563 17896 2299 1 9 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.079 0.092 17896 2300 1 9 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.300 2.322 17896 2301 1 9 . 1 1 58 58 GLU N N 58 123.079 123.079 115.925 7.154 17896 2302 1 9 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.102 0.660 17896 2303 1 9 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.002 0.807 17896 2304 1 9 . 1 1 58 58 GLU H H 58 9.387 9.387 8.757 0.630 17896 2305 1 9 . 1 1 59 59 ASP N N 59 117.677 117.677 118.695 -1.018 17896 2306 1 9 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.546 0.044 17896 2307 1 9 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.340 0.285 17896 2308 1 9 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.333 -0.442 17896 2309 1 9 . 1 1 59 59 ASP H H 59 8.035 8.035 8.013 0.022 17896 2310 1 9 . 1 1 60 60 ILE N N 60 119.506 119.506 114.009 5.497 17896 2311 1 9 . 1 1 60 60 ILE H H 60 8.238 8.238 7.432 0.806 17896 2312 1 9 . 1 1 61 61 PHE N N 61 115.913 115.913 122.140 -6.227 17896 2313 1 9 . 1 1 61 61 PHE H H 61 8.548 8.548 8.255 0.292 17896 2314 1 9 . 1 1 62 62 GLN N N 62 116.558 116.558 122.517 -5.959 17896 2315 1 9 . 1 1 62 62 GLN H H 62 8.808 8.808 7.627 1.181 17896 2316 1 9 . 1 1 63 63 TRP N N 63 125.624 125.624 122.397 3.227 17896 2317 1 9 . 1 1 63 63 TRP H H 63 9.515 9.515 8.591 0.924 17896 2318 1 9 . 1 1 64 64 GLN N N 64 127.215 127.215 115.637 11.578 17896 2319 1 9 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.733 3.840 17896 2320 1 9 . 1 1 64 64 GLN H H 64 8.023 8.023 8.544 -0.521 17896 2321 1 9 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.444 0.266 17896 2322 1 9 . 1 1 65 65 PRO CA C 65 62.800 62.800 62.692 0.108 17896 2323 1 10 . 1 1 2 2 ILE N N 2 123.023 123.023 121.986 1.037 17896 2324 1 10 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.698 1.234 17896 2325 1 10 . 1 1 2 2 ILE H H 2 9.199 9.199 8.468 0.731 17896 2326 1 10 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.622 0.877 17896 2327 1 10 . 1 1 3 3 ILE CA C 3 60.783 60.783 63.141 -2.358 17896 2328 1 10 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.568 0.987 17896 2329 1 10 . 1 1 4 4 ASN N N 4 124.021 124.021 116.334 7.687 17896 2330 1 10 . 1 1 4 4 ASN CB C 4 40.713 40.713 38.026 2.688 17896 2331 1 10 . 1 1 4 4 ASN H H 4 9.123 9.123 9.347 -0.224 17896 2332 1 10 . 1 1 6 6 LEU N N 6 120.649 120.649 123.674 -3.025 17896 2333 1 10 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.140 -0.356 17896 2334 1 10 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.658 1.941 17896 2335 1 10 . 1 1 6 6 LEU H H 6 8.602 8.602 9.231 -0.629 17896 2336 1 10 . 1 1 7 7 LYS N N 7 118.177 118.177 117.817 0.360 17896 2337 1 10 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.065 -0.133 17896 2338 1 10 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.099 2.207 17896 2339 1 10 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.356 1.078 17896 2340 1 10 . 1 1 7 7 LYS H H 7 8.972 8.972 8.463 0.509 17896 2341 1 10 . 1 1 8 8 LEU N N 8 116.322 116.322 120.646 -4.324 17896 2342 1 10 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.130 0.060 17896 2343 1 10 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.251 1.039 17896 2344 1 10 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.671 2.088 17896 2345 1 10 . 1 1 8 8 LEU H H 8 7.743 7.743 7.859 -0.116 17896 2346 1 10 . 1 1 9 9 ILE N N 9 119.138 119.138 120.555 -1.417 17896 2347 1 10 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.721 0.193 17896 2348 1 10 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.944 -0.086 17896 2349 1 10 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.543 1.141 17896 2350 1 10 . 1 1 9 9 ILE H H 9 8.239 8.239 8.581 -0.342 17896 2351 1 10 . 1 1 10 10 ARG N N 10 120.186 120.186 119.386 0.800 17896 2352 1 10 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.923 -0.033 17896 2353 1 10 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.228 1.440 17896 2354 1 10 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.198 -0.804 17896 2355 1 10 . 1 1 10 10 ARG H H 10 9.291 9.291 8.507 0.784 17896 2356 1 10 . 1 1 11 11 GLU N N 11 115.814 115.814 118.207 -2.393 17896 2357 1 10 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.078 0.123 17896 2358 1 10 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.931 1.355 17896 2359 1 10 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.927 0.887 17896 2360 1 10 . 1 1 11 11 GLU H H 11 8.732 8.732 7.834 0.898 17896 2361 1 10 . 1 1 12 12 LYS N N 12 122.969 122.969 121.040 1.929 17896 2362 1 10 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.140 0.083 17896 2363 1 10 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.485 1.732 17896 2364 1 10 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.249 0.649 17896 2365 1 10 . 1 1 12 12 LYS H H 12 8.275 8.275 7.598 0.677 17896 2366 1 10 . 1 1 13 13 LYS N N 13 116.324 116.324 115.817 0.507 17896 2367 1 10 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.385 -0.073 17896 2368 1 10 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.670 0.261 17896 2369 1 10 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.317 -0.564 17896 2370 1 10 . 1 1 13 13 LYS H H 13 7.800 7.800 7.555 0.245 17896 2371 1 10 . 1 1 14 14 LYS N N 14 115.342 115.342 114.370 0.972 17896 2372 1 10 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.925 0.120 17896 2373 1 10 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.878 1.176 17896 2374 1 10 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.204 -0.156 17896 2375 1 10 . 1 1 14 14 LYS H H 14 8.090 8.090 7.770 0.320 17896 2376 1 10 . 1 1 15 15 ILE N N 15 118.356 118.356 121.159 -2.803 17896 2377 1 10 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.063 0.571 17896 2378 1 10 . 1 1 15 15 ILE CA C 15 60.680 60.680 61.215 -0.535 17896 2379 1 10 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.862 2.697 17896 2380 1 10 . 1 1 15 15 ILE H H 15 7.593 7.593 7.884 -0.291 17896 2381 1 10 . 1 1 16 16 SER N N 16 125.139 125.139 123.354 1.785 17896 2382 1 10 . 1 1 16 16 SER HA H 16 4.571 4.571 4.408 0.163 17896 2383 1 10 . 1 1 16 16 SER CA C 16 57.781 57.781 58.086 -0.305 17896 2384 1 10 . 1 1 16 16 SER H H 16 9.500 9.500 8.495 1.005 17896 2385 1 10 . 1 1 17 17 GLN N N 17 120.188 120.188 121.443 -1.255 17896 2386 1 10 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.977 -0.098 17896 2387 1 10 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.525 3.138 17896 2388 1 10 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.602 1.142 17896 2389 1 10 . 1 1 17 17 GLN H H 17 9.575 9.575 8.879 0.696 17896 2390 1 10 . 1 1 18 18 SER N N 18 113.031 113.031 114.693 -1.662 17896 2391 1 10 . 1 1 18 18 SER H H 18 9.031 9.031 8.332 0.699 17896 2392 1 10 . 1 1 19 19 GLU N N 19 124.044 124.044 120.428 3.616 17896 2393 1 10 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.075 0.107 17896 2394 1 10 . 1 1 19 19 GLU CA C 19 59.409 59.409 58.955 0.454 17896 2395 1 10 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.020 1.419 17896 2396 1 10 . 1 1 19 19 GLU H H 19 8.381 8.381 8.426 -0.045 17896 2397 1 10 . 1 1 20 20 LEU N N 20 120.001 120.001 116.529 3.472 17896 2398 1 10 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.462 -0.363 17896 2399 1 10 . 1 1 20 20 LEU CA C 20 58.450 58.450 56.597 1.853 17896 2400 1 10 . 1 1 20 20 LEU H H 20 8.340 8.340 7.399 0.941 17896 2401 1 10 . 1 1 21 21 ALA N N 21 119.822 119.822 121.312 -1.490 17896 2402 1 10 . 1 1 21 21 ALA HA H 21 3.596 3.596 4.063 -0.467 17896 2403 1 10 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.485 0.323 17896 2404 1 10 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.266 -0.510 17896 2405 1 10 . 1 1 21 21 ALA H H 21 8.632 8.632 8.448 0.184 17896 2406 1 10 . 1 1 22 22 ALA N N 22 117.186 117.186 120.558 -3.372 17896 2407 1 10 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.053 0.229 17896 2408 1 10 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.366 1.166 17896 2409 1 10 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.562 -0.009 17896 2410 1 10 . 1 1 22 22 ALA H H 22 7.847 7.847 7.390 0.457 17896 2411 1 10 . 1 1 23 23 LEU N N 23 118.505 118.505 118.232 0.273 17896 2412 1 10 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.962 0.089 17896 2413 1 10 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.912 1.215 17896 2414 1 10 . 1 1 23 23 LEU H H 23 7.546 7.546 7.542 0.004 17896 2415 1 10 . 1 1 24 24 LEU N N 24 114.492 114.492 115.437 -0.945 17896 2416 1 10 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.259 0.027 17896 2417 1 10 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.987 0.707 17896 2418 1 10 . 1 1 24 24 LEU H H 24 7.450 7.450 7.606 -0.156 17896 2419 1 10 . 1 1 25 25 GLU N N 25 114.844 114.844 114.860 -0.016 17896 2420 1 10 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.880 0.166 17896 2421 1 10 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.629 0.604 17896 2422 1 10 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.860 0.033 17896 2423 1 10 . 1 1 25 25 GLU H H 25 8.045 8.045 7.930 0.115 17896 2424 1 10 . 1 1 26 26 VAL N N 26 109.674 109.674 112.853 -3.179 17896 2425 1 10 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.463 0.307 17896 2426 1 10 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.611 -1.268 17896 2427 1 10 . 1 1 26 26 VAL H H 26 8.012 8.012 7.617 0.395 17896 2428 1 10 . 1 1 27 27 SER N N 27 114.352 114.352 116.599 -2.247 17896 2429 1 10 . 1 1 27 27 SER CB C 27 63.110 63.110 63.665 -0.555 17896 2430 1 10 . 1 1 27 27 SER H H 27 8.672 8.672 8.509 0.163 17896 2431 1 10 . 1 1 28 28 ARG N N 28 115.247 115.247 127.057 -11.810 17896 2432 1 10 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.900 -0.141 17896 2433 1 10 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.127 0.631 17896 2434 1 10 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.176 -0.226 17896 2435 1 10 . 1 1 28 28 ARG H H 28 8.263 8.263 8.967 -0.704 17896 2436 1 10 . 1 1 29 29 GLN N N 29 117.283 117.283 117.316 -0.033 17896 2437 1 10 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.084 0.115 17896 2438 1 10 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.447 0.566 17896 2439 1 10 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.985 0.483 17896 2440 1 10 . 1 1 29 29 GLN H H 29 8.866 8.866 8.792 0.074 17896 2441 1 10 . 1 1 30 30 THR N N 30 119.955 119.955 114.086 5.869 17896 2442 1 10 . 1 1 30 30 THR HA H 30 4.454 4.454 4.065 0.389 17896 2443 1 10 . 1 1 30 30 THR CA C 30 68.781 68.781 65.369 3.412 17896 2444 1 10 . 1 1 30 30 THR CB C 30 67.567 67.567 68.121 -0.554 17896 2445 1 10 . 1 1 30 30 THR H H 30 8.168 8.168 8.091 0.077 17896 2446 1 10 . 1 1 31 31 ILE N N 31 118.777 118.777 123.222 -4.445 17896 2447 1 10 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.756 0.043 17896 2448 1 10 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.608 -1.679 17896 2449 1 10 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.190 -1.213 17896 2450 1 10 . 1 1 31 31 ILE H H 31 7.159 7.159 8.406 -1.247 17896 2451 1 10 . 1 1 32 32 ASN N N 32 118.007 118.007 118.688 -0.681 17896 2452 1 10 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.413 -0.042 17896 2453 1 10 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.906 1.147 17896 2454 1 10 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.286 1.795 17896 2455 1 10 . 1 1 32 32 ASN H H 32 8.692 8.692 8.290 0.402 17896 2456 1 10 . 1 1 33 33 GLY N N 33 124.878 124.878 109.202 15.676 17896 2457 1 10 . 1 1 33 33 GLY H H 33 8.688 8.688 8.422 0.266 17896 2458 1 10 . 1 1 34 34 ILE N N 34 122.256 122.256 121.488 0.768 17896 2459 1 10 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.719 0.593 17896 2460 1 10 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.005 2.449 17896 2461 1 10 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.925 1.261 17896 2462 1 10 . 1 1 34 34 ILE H H 34 8.244 8.244 8.301 -0.057 17896 2463 1 10 . 1 1 35 35 GLU N N 35 120.621 120.621 120.219 0.402 17896 2464 1 10 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.370 -0.056 17896 2465 1 10 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.653 1.939 17896 2466 1 10 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.359 0.393 17896 2467 1 10 . 1 1 35 35 GLU H H 35 8.646 8.646 8.382 0.264 17896 2468 1 10 . 1 1 36 36 LYS N N 36 115.927 115.927 119.858 -3.931 17896 2469 1 10 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.158 0.445 17896 2470 1 10 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.650 -0.366 17896 2471 1 10 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.035 1.804 17896 2472 1 10 . 1 1 36 36 LYS H H 36 8.125 8.125 7.755 0.370 17896 2473 1 10 . 1 1 37 37 ASN N N 37 114.474 114.474 115.819 -1.345 17896 2474 1 10 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.432 0.302 17896 2475 1 10 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.684 0.750 17896 2476 1 10 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.721 0.083 17896 2477 1 10 . 1 1 37 37 ASN H H 37 8.238 8.238 8.668 -0.430 17896 2478 1 10 . 1 1 38 38 LYS N N 38 115.022 115.022 118.259 -3.237 17896 2479 1 10 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.324 0.141 17896 2480 1 10 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.959 -2.345 17896 2481 1 10 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.333 -0.247 17896 2482 1 10 . 1 1 38 38 LYS H H 38 8.761 8.761 8.399 0.362 17896 2483 1 10 . 1 1 39 39 TYR N N 39 117.018 117.018 112.144 4.874 17896 2484 1 10 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.589 0.121 17896 2485 1 10 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.698 -0.321 17896 2486 1 10 . 1 1 39 39 TYR H H 39 7.098 7.098 7.351 -0.253 17896 2487 1 10 . 1 1 40 40 ASN N N 40 123.636 123.636 118.200 5.436 17896 2488 1 10 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.743 0.633 17896 2489 1 10 . 1 1 40 40 ASN H H 40 8.904 8.904 8.540 0.364 17896 2490 1 10 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.467 -0.577 17896 2491 1 10 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.295 0.175 17896 2492 1 10 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.143 0.318 17896 2493 1 10 . 1 1 42 42 SER N N 42 125.765 125.765 117.624 8.141 17896 2494 1 10 . 1 1 42 42 SER HA H 42 4.571 4.571 4.277 0.294 17896 2495 1 10 . 1 1 42 42 SER CA C 42 58.198 58.198 58.178 0.021 17896 2496 1 10 . 1 1 42 42 SER H H 42 8.107 8.107 8.309 -0.202 17896 2497 1 10 . 1 1 43 43 LEU N N 43 120.617 120.617 125.430 -4.813 17896 2498 1 10 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.943 0.071 17896 2499 1 10 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.230 0.015 17896 2500 1 10 . 1 1 43 43 LEU H H 43 9.322 9.322 8.827 0.495 17896 2501 1 10 . 1 1 44 44 GLN N N 44 115.972 115.972 118.241 -2.269 17896 2502 1 10 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.068 -0.333 17896 2503 1 10 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.722 2.150 17896 2504 1 10 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.324 1.826 17896 2505 1 10 . 1 1 44 44 GLN H H 44 8.952 8.952 8.739 0.213 17896 2506 1 10 . 1 1 45 45 LEU N N 45 119.443 119.443 116.187 3.256 17896 2507 1 10 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.513 -0.853 17896 2508 1 10 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.448 -1.586 17896 2509 1 10 . 1 1 45 45 LEU H H 45 8.129 8.129 7.272 0.857 17896 2510 1 10 . 1 1 46 46 ALA N N 46 120.485 120.485 123.413 -2.928 17896 2511 1 10 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.056 0.004 17896 2512 1 10 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.068 1.417 17896 2513 1 10 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.955 2.786 17896 2514 1 10 . 1 1 46 46 ALA H H 46 8.531 8.531 8.987 -0.456 17896 2515 1 10 . 1 1 47 47 LEU N N 47 116.554 116.554 118.279 -1.725 17896 2516 1 10 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.856 0.356 17896 2517 1 10 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.172 0.229 17896 2518 1 10 . 1 1 47 47 LEU H H 47 8.761 8.761 8.396 0.365 17896 2519 1 10 . 1 1 48 48 LYS N N 48 121.029 121.029 119.514 1.515 17896 2520 1 10 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.050 -0.369 17896 2521 1 10 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.503 1.224 17896 2522 1 10 . 1 1 48 48 LYS H H 48 8.068 8.068 7.563 0.505 17896 2523 1 10 . 1 1 49 49 ILE N N 49 120.454 120.454 120.893 -0.439 17896 2524 1 10 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.914 -0.240 17896 2525 1 10 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.449 2.653 17896 2526 1 10 . 1 1 49 49 ILE H H 49 8.822 8.822 8.166 0.656 17896 2527 1 10 . 1 1 50 50 ALA N N 50 120.394 120.394 123.768 -3.374 17896 2528 1 10 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.126 -0.013 17896 2529 1 10 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.193 1.103 17896 2530 1 10 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.230 0.702 17896 2531 1 10 . 1 1 50 50 ALA H H 50 8.217 8.217 9.018 -0.801 17896 2532 1 10 . 1 1 51 51 TYR N N 51 117.083 117.083 120.087 -3.004 17896 2533 1 10 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.008 0.363 17896 2534 1 10 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.026 0.270 17896 2535 1 10 . 1 1 51 51 TYR H H 51 8.187 8.187 7.821 0.366 17896 2536 1 10 . 1 1 52 52 TYR N N 52 118.569 118.569 117.387 1.182 17896 2537 1 10 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.174 0.135 17896 2538 1 10 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.338 2.414 17896 2539 1 10 . 1 1 52 52 TYR H H 52 9.091 9.091 8.066 1.025 17896 2540 1 10 . 1 1 53 53 LEU N N 53 115.465 115.465 118.902 -3.437 17896 2541 1 10 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.359 0.223 17896 2542 1 10 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.353 -0.217 17896 2543 1 10 . 1 1 53 53 LEU H H 53 8.443 8.443 8.446 -0.003 17896 2544 1 10 . 1 1 54 54 ASN N N 54 122.105 122.105 114.420 7.685 17896 2545 1 10 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.322 0.128 17896 2546 1 10 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.840 -0.186 17896 2547 1 10 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.362 2.123 17896 2548 1 10 . 1 1 54 54 ASN H H 54 8.099 8.099 7.802 0.297 17896 2549 1 10 . 1 1 55 55 THR N N 55 114.942 114.942 114.017 0.925 17896 2550 1 10 . 1 1 55 55 THR HA H 55 5.014 5.014 4.634 0.380 17896 2551 1 10 . 1 1 55 55 THR CA C 55 60.889 60.889 60.329 0.560 17896 2552 1 10 . 1 1 55 55 THR CB C 55 75.500 75.500 71.265 4.235 17896 2553 1 10 . 1 1 55 55 THR H H 55 8.277 8.277 8.139 0.138 17896 2554 1 10 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.502 0.077 17896 2555 1 10 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.724 0.552 17896 2556 1 10 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.681 -0.446 17896 2557 1 10 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.000 0.171 17896 2558 1 10 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.593 2.029 17896 2559 1 10 . 1 1 58 58 GLU N N 58 123.079 123.079 118.478 4.601 17896 2560 1 10 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.222 0.540 17896 2561 1 10 . 1 1 58 58 GLU CA C 58 59.809 59.809 58.931 0.878 17896 2562 1 10 . 1 1 58 58 GLU H H 58 9.387 9.387 8.714 0.673 17896 2563 1 10 . 1 1 59 59 ASP N N 59 117.677 117.677 119.457 -1.780 17896 2564 1 10 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.500 0.090 17896 2565 1 10 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.473 0.152 17896 2566 1 10 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.897 -0.006 17896 2567 1 10 . 1 1 59 59 ASP H H 59 8.035 8.035 7.657 0.378 17896 2568 1 10 . 1 1 60 60 ILE N N 60 119.506 119.506 113.284 6.222 17896 2569 1 10 . 1 1 60 60 ILE H H 60 8.238 8.238 7.495 0.743 17896 2570 1 10 . 1 1 61 61 PHE N N 61 115.913 115.913 123.950 -8.037 17896 2571 1 10 . 1 1 61 61 PHE H H 61 8.548 8.548 8.552 -0.004 17896 2572 1 10 . 1 1 62 62 GLN N N 62 116.558 116.558 120.329 -3.771 17896 2573 1 10 . 1 1 62 62 GLN H H 62 8.808 8.808 8.507 0.301 17896 2574 1 10 . 1 1 63 63 TRP N N 63 125.624 125.624 127.077 -1.453 17896 2575 1 10 . 1 1 63 63 TRP H H 63 9.515 9.515 8.928 0.587 17896 2576 1 10 . 1 1 64 64 GLN N N 64 127.215 127.215 121.452 5.763 17896 2577 1 10 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.795 2.778 17896 2578 1 10 . 1 1 64 64 GLN H H 64 8.023 8.023 8.234 -0.211 17896 2579 1 10 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.330 0.380 17896 2580 1 10 . 1 1 65 65 PRO CA C 65 62.800 62.800 62.951 -0.151 17896 2581 1 11 . 1 1 2 2 ILE N N 2 123.023 123.023 119.577 3.446 17896 2582 1 11 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.517 2.415 17896 2583 1 11 . 1 1 2 2 ILE H H 2 9.199 9.199 7.734 1.465 17896 2584 1 11 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.079 0.420 17896 2585 1 11 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.990 0.793 17896 2586 1 11 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.099 2.456 17896 2587 1 11 . 1 1 4 4 ASN N N 4 124.021 124.021 126.582 -2.561 17896 2588 1 11 . 1 1 4 4 ASN CB C 4 40.713 40.713 39.267 1.446 17896 2589 1 11 . 1 1 4 4 ASN H H 4 9.123 9.123 8.545 0.578 17896 2590 1 11 . 1 1 6 6 LEU N N 6 120.649 120.649 123.055 -2.406 17896 2591 1 11 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.117 -0.333 17896 2592 1 11 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.970 2.629 17896 2593 1 11 . 1 1 6 6 LEU H H 6 8.602 8.602 8.813 -0.211 17896 2594 1 11 . 1 1 7 7 LYS N N 7 118.177 118.177 118.878 -0.701 17896 2595 1 11 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.024 -0.092 17896 2596 1 11 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.988 2.318 17896 2597 1 11 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.086 1.348 17896 2598 1 11 . 1 1 7 7 LYS H H 7 8.972 8.972 8.332 0.640 17896 2599 1 11 . 1 1 8 8 LEU N N 8 116.322 116.322 120.100 -3.778 17896 2600 1 11 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.116 0.074 17896 2601 1 11 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.834 0.456 17896 2602 1 11 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.002 1.756 17896 2603 1 11 . 1 1 8 8 LEU H H 8 7.743 7.743 7.887 -0.144 17896 2604 1 11 . 1 1 9 9 ILE N N 9 119.138 119.138 118.467 0.671 17896 2605 1 11 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.696 0.218 17896 2606 1 11 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.402 0.456 17896 2607 1 11 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.534 1.150 17896 2608 1 11 . 1 1 9 9 ILE H H 9 8.239 8.239 8.495 -0.256 17896 2609 1 11 . 1 1 10 10 ARG N N 10 120.186 120.186 120.845 -0.659 17896 2610 1 11 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.898 -0.008 17896 2611 1 11 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.039 1.629 17896 2612 1 11 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.392 -0.998 17896 2613 1 11 . 1 1 10 10 ARG H H 10 9.291 9.291 8.371 0.920 17896 2614 1 11 . 1 1 11 11 GLU N N 11 115.814 115.814 117.713 -1.899 17896 2615 1 11 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.090 0.111 17896 2616 1 11 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.956 1.329 17896 2617 1 11 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.125 0.689 17896 2618 1 11 . 1 1 11 11 GLU H H 11 8.732 8.732 7.978 0.754 17896 2619 1 11 . 1 1 12 12 LYS N N 12 122.969 122.969 119.633 3.336 17896 2620 1 11 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.120 0.103 17896 2621 1 11 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.430 1.787 17896 2622 1 11 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.142 0.756 17896 2623 1 11 . 1 1 12 12 LYS H H 12 8.275 8.275 7.677 0.598 17896 2624 1 11 . 1 1 13 13 LYS N N 13 116.324 116.324 114.935 1.389 17896 2625 1 11 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.323 -0.011 17896 2626 1 11 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.955 -0.024 17896 2627 1 11 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.291 -0.538 17896 2628 1 11 . 1 1 13 13 LYS H H 13 7.800 7.800 7.453 0.347 17896 2629 1 11 . 1 1 14 14 LYS N N 14 115.342 115.342 115.724 -0.382 17896 2630 1 11 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.895 0.150 17896 2631 1 11 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.660 1.395 17896 2632 1 11 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.137 -0.089 17896 2633 1 11 . 1 1 14 14 LYS H H 14 8.090 8.090 7.691 0.399 17896 2634 1 11 . 1 1 15 15 ILE N N 15 118.356 118.356 120.701 -2.345 17896 2635 1 11 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.164 0.470 17896 2636 1 11 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.618 0.062 17896 2637 1 11 . 1 1 15 15 ILE CB C 15 41.559 41.559 40.441 1.118 17896 2638 1 11 . 1 1 15 15 ILE H H 15 7.593 7.593 7.705 -0.112 17896 2639 1 11 . 1 1 16 16 SER N N 16 125.139 125.139 121.387 3.752 17896 2640 1 11 . 1 1 16 16 SER HA H 16 4.571 4.571 4.546 0.025 17896 2641 1 11 . 1 1 16 16 SER CA C 16 57.781 57.781 58.381 -0.600 17896 2642 1 11 . 1 1 16 16 SER H H 16 9.500 9.500 9.043 0.457 17896 2643 1 11 . 1 1 17 17 GLN N N 17 120.188 120.188 124.455 -4.267 17896 2644 1 11 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.979 -0.100 17896 2645 1 11 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.258 3.404 17896 2646 1 11 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.258 1.486 17896 2647 1 11 . 1 1 17 17 GLN H H 17 9.575 9.575 8.935 0.640 17896 2648 1 11 . 1 1 18 18 SER N N 18 113.031 113.031 114.493 -1.462 17896 2649 1 11 . 1 1 18 18 SER H H 18 9.031 9.031 8.585 0.446 17896 2650 1 11 . 1 1 19 19 GLU N N 19 124.044 124.044 122.421 1.623 17896 2651 1 11 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.222 -0.040 17896 2652 1 11 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.860 -0.451 17896 2653 1 11 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.801 0.638 17896 2654 1 11 . 1 1 19 19 GLU H H 19 8.381 8.381 7.528 0.853 17896 2655 1 11 . 1 1 20 20 LEU N N 20 120.001 120.001 117.340 2.661 17896 2656 1 11 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.433 -0.334 17896 2657 1 11 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.854 0.596 17896 2658 1 11 . 1 1 20 20 LEU H H 20 8.340 8.340 7.600 0.740 17896 2659 1 11 . 1 1 21 21 ALA N N 21 119.822 119.822 120.966 -1.144 17896 2660 1 11 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.919 -0.323 17896 2661 1 11 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.700 0.108 17896 2662 1 11 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.416 -0.660 17896 2663 1 11 . 1 1 21 21 ALA H H 21 8.632 8.632 8.633 -0.001 17896 2664 1 11 . 1 1 22 22 ALA N N 22 117.186 117.186 120.371 -3.185 17896 2665 1 11 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.052 0.230 17896 2666 1 11 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.457 1.075 17896 2667 1 11 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.523 0.030 17896 2668 1 11 . 1 1 22 22 ALA H H 22 7.847 7.847 7.367 0.480 17896 2669 1 11 . 1 1 23 23 LEU N N 23 118.505 118.505 117.779 0.726 17896 2670 1 11 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.991 0.060 17896 2671 1 11 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.422 1.705 17896 2672 1 11 . 1 1 23 23 LEU H H 23 7.546 7.546 7.837 -0.291 17896 2673 1 11 . 1 1 24 24 LEU N N 24 114.492 114.492 111.947 2.545 17896 2674 1 11 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.279 0.007 17896 2675 1 11 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.825 0.869 17896 2676 1 11 . 1 1 24 24 LEU H H 24 7.450 7.450 7.449 0.001 17896 2677 1 11 . 1 1 25 25 GLU N N 25 114.844 114.844 115.361 -0.517 17896 2678 1 11 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.990 0.056 17896 2679 1 11 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.502 0.732 17896 2680 1 11 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.150 -0.257 17896 2681 1 11 . 1 1 25 25 GLU H H 25 8.045 8.045 8.129 -0.084 17896 2682 1 11 . 1 1 26 26 VAL N N 26 109.674 109.674 111.573 -1.899 17896 2683 1 11 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.398 0.372 17896 2684 1 11 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.538 -1.195 17896 2685 1 11 . 1 1 26 26 VAL H H 26 8.012 8.012 7.408 0.604 17896 2686 1 11 . 1 1 27 27 SER N N 27 114.352 114.352 117.420 -3.068 17896 2687 1 11 . 1 1 27 27 SER CB C 27 63.110 63.110 63.928 -0.818 17896 2688 1 11 . 1 1 27 27 SER H H 27 8.672 8.672 8.332 0.340 17896 2689 1 11 . 1 1 28 28 ARG N N 28 115.247 115.247 127.521 -12.274 17896 2690 1 11 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.907 -0.148 17896 2691 1 11 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.135 0.623 17896 2692 1 11 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.115 -0.165 17896 2693 1 11 . 1 1 28 28 ARG H H 28 8.263 8.263 9.047 -0.784 17896 2694 1 11 . 1 1 29 29 GLN N N 29 117.283 117.283 117.652 -0.369 17896 2695 1 11 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.124 0.075 17896 2696 1 11 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.173 0.840 17896 2697 1 11 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.615 0.853 17896 2698 1 11 . 1 1 29 29 GLN H H 29 8.866 8.866 8.848 0.018 17896 2699 1 11 . 1 1 30 30 THR N N 30 119.955 119.955 117.455 2.500 17896 2700 1 11 . 1 1 30 30 THR HA H 30 4.454 4.454 4.048 0.406 17896 2701 1 11 . 1 1 30 30 THR CA C 30 68.781 68.781 65.833 2.948 17896 2702 1 11 . 1 1 30 30 THR CB C 30 67.567 67.567 68.392 -0.825 17896 2703 1 11 . 1 1 30 30 THR H H 30 8.168 8.168 7.906 0.262 17896 2704 1 11 . 1 1 31 31 ILE N N 31 118.777 118.777 123.002 -4.225 17896 2705 1 11 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.690 0.109 17896 2706 1 11 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.782 -1.853 17896 2707 1 11 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.459 -1.482 17896 2708 1 11 . 1 1 31 31 ILE H H 31 7.159 7.159 8.627 -1.468 17896 2709 1 11 . 1 1 32 32 ASN N N 32 118.007 118.007 118.827 -0.820 17896 2710 1 11 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.422 -0.051 17896 2711 1 11 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.983 1.069 17896 2712 1 11 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.267 1.814 17896 2713 1 11 . 1 1 32 32 ASN H H 32 8.692 8.692 9.179 -0.487 17896 2714 1 11 . 1 1 33 33 GLY N N 33 124.878 124.878 109.123 15.755 17896 2715 1 11 . 1 1 33 33 GLY H H 33 8.688 8.688 8.289 0.399 17896 2716 1 11 . 1 1 34 34 ILE N N 34 122.256 122.256 121.474 0.782 17896 2717 1 11 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.720 0.592 17896 2718 1 11 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.122 1.332 17896 2719 1 11 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.030 1.156 17896 2720 1 11 . 1 1 34 34 ILE H H 34 8.244 8.244 8.226 0.018 17896 2721 1 11 . 1 1 35 35 GLU N N 35 120.621 120.621 121.124 -0.503 17896 2722 1 11 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.340 -0.026 17896 2723 1 11 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.117 1.475 17896 2724 1 11 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.655 0.097 17896 2725 1 11 . 1 1 35 35 GLU H H 35 8.646 8.646 8.948 -0.302 17896 2726 1 11 . 1 1 36 36 LYS N N 36 115.927 115.927 119.589 -3.662 17896 2727 1 11 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.164 0.439 17896 2728 1 11 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.713 -0.429 17896 2729 1 11 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.372 1.468 17896 2730 1 11 . 1 1 36 36 LYS H H 36 8.125 8.125 8.022 0.103 17896 2731 1 11 . 1 1 37 37 ASN N N 37 114.474 114.474 114.366 0.108 17896 2732 1 11 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.534 0.200 17896 2733 1 11 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.595 0.839 17896 2734 1 11 . 1 1 37 37 ASN CB C 37 37.804 37.804 36.991 0.813 17896 2735 1 11 . 1 1 37 37 ASN H H 37 8.238 8.238 8.535 -0.297 17896 2736 1 11 . 1 1 38 38 LYS N N 38 115.022 115.022 118.852 -3.830 17896 2737 1 11 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.101 0.363 17896 2738 1 11 . 1 1 38 38 LYS CA C 38 56.614 56.614 57.791 -1.177 17896 2739 1 11 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.611 -0.525 17896 2740 1 11 . 1 1 38 38 LYS H H 38 8.761 8.761 8.272 0.489 17896 2741 1 11 . 1 1 39 39 TYR N N 39 117.018 117.018 114.828 2.190 17896 2742 1 11 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.630 0.080 17896 2743 1 11 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.318 0.059 17896 2744 1 11 . 1 1 39 39 TYR H H 39 7.098 7.098 7.886 -0.788 17896 2745 1 11 . 1 1 40 40 ASN N N 40 123.636 123.636 119.866 3.770 17896 2746 1 11 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.388 0.988 17896 2747 1 11 . 1 1 40 40 ASN H H 40 8.904 8.904 8.818 0.086 17896 2748 1 11 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.425 -0.535 17896 2749 1 11 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.767 -0.297 17896 2750 1 11 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.038 0.422 17896 2751 1 11 . 1 1 42 42 SER N N 42 125.765 125.765 118.285 7.480 17896 2752 1 11 . 1 1 42 42 SER HA H 42 4.571 4.571 4.399 0.172 17896 2753 1 11 . 1 1 42 42 SER CA C 42 58.198 58.198 57.763 0.436 17896 2754 1 11 . 1 1 42 42 SER H H 42 8.107 8.107 8.260 -0.153 17896 2755 1 11 . 1 1 43 43 LEU N N 43 120.617 120.617 126.202 -5.585 17896 2756 1 11 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.009 0.005 17896 2757 1 11 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.460 0.785 17896 2758 1 11 . 1 1 43 43 LEU H H 43 9.322 9.322 8.786 0.536 17896 2759 1 11 . 1 1 44 44 GLN N N 44 115.972 115.972 117.499 -1.527 17896 2760 1 11 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.117 -0.382 17896 2761 1 11 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.581 2.291 17896 2762 1 11 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.247 0.903 17896 2763 1 11 . 1 1 44 44 GLN H H 44 8.952 8.952 8.569 0.383 17896 2764 1 11 . 1 1 45 45 LEU N N 45 119.443 119.443 114.716 4.727 17896 2765 1 11 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.489 -0.829 17896 2766 1 11 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.140 -1.278 17896 2767 1 11 . 1 1 45 45 LEU H H 45 8.129 8.129 7.697 0.432 17896 2768 1 11 . 1 1 46 46 ALA N N 46 120.485 120.485 123.982 -3.497 17896 2769 1 11 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.016 0.044 17896 2770 1 11 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.043 1.442 17896 2771 1 11 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.934 2.807 17896 2772 1 11 . 1 1 46 46 ALA H H 46 8.531 8.531 8.426 0.105 17896 2773 1 11 . 1 1 47 47 LEU N N 47 116.554 116.554 117.677 -1.123 17896 2774 1 11 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.736 0.476 17896 2775 1 11 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.893 0.508 17896 2776 1 11 . 1 1 47 47 LEU H H 47 8.761 8.761 7.859 0.902 17896 2777 1 11 . 1 1 48 48 LYS N N 48 121.029 121.029 118.862 2.167 17896 2778 1 11 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.266 -0.585 17896 2779 1 11 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.076 1.651 17896 2780 1 11 . 1 1 48 48 LYS H H 48 8.068 8.068 7.625 0.443 17896 2781 1 11 . 1 1 49 49 ILE N N 49 120.454 120.454 120.774 -0.320 17896 2782 1 11 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.950 -0.276 17896 2783 1 11 . 1 1 49 49 ILE CA C 49 68.102 68.102 63.832 4.270 17896 2784 1 11 . 1 1 49 49 ILE H H 49 8.822 8.822 7.484 1.338 17896 2785 1 11 . 1 1 50 50 ALA N N 50 120.394 120.394 123.421 -3.027 17896 2786 1 11 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.945 0.168 17896 2787 1 11 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.365 0.931 17896 2788 1 11 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.724 1.208 17896 2789 1 11 . 1 1 50 50 ALA H H 50 8.217 8.217 8.732 -0.515 17896 2790 1 11 . 1 1 51 51 TYR N N 51 117.083 117.083 117.685 -0.602 17896 2791 1 11 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.162 0.209 17896 2792 1 11 . 1 1 51 51 TYR CA C 51 62.296 62.296 61.691 0.605 17896 2793 1 11 . 1 1 51 51 TYR H H 51 8.187 8.187 7.612 0.575 17896 2794 1 11 . 1 1 52 52 TYR N N 52 118.569 118.569 119.659 -1.090 17896 2795 1 11 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.337 -0.028 17896 2796 1 11 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.255 2.497 17896 2797 1 11 . 1 1 52 52 TYR H H 52 9.091 9.091 7.731 1.360 17896 2798 1 11 . 1 1 53 53 LEU N N 53 115.465 115.465 118.060 -2.595 17896 2799 1 11 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.194 0.388 17896 2800 1 11 . 1 1 53 53 LEU CA C 53 55.136 55.136 56.202 -1.066 17896 2801 1 11 . 1 1 53 53 LEU H H 53 8.443 8.443 8.602 -0.159 17896 2802 1 11 . 1 1 54 54 ASN N N 54 122.105 122.105 114.756 7.349 17896 2803 1 11 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.382 0.068 17896 2804 1 11 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.948 -0.293 17896 2805 1 11 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.806 1.679 17896 2806 1 11 . 1 1 54 54 ASN H H 54 8.099 8.099 7.597 0.502 17896 2807 1 11 . 1 1 55 55 THR N N 55 114.942 114.942 114.964 -0.022 17896 2808 1 11 . 1 1 55 55 THR HA H 55 5.014 5.014 4.626 0.388 17896 2809 1 11 . 1 1 55 55 THR CA C 55 60.889 60.889 59.555 1.334 17896 2810 1 11 . 1 1 55 55 THR CB C 55 75.500 75.500 71.093 4.407 17896 2811 1 11 . 1 1 55 55 THR H H 55 8.277 8.277 7.829 0.448 17896 2812 1 11 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.409 0.170 17896 2813 1 11 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.360 0.916 17896 2814 1 11 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.393 -0.158 17896 2815 1 11 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.997 0.174 17896 2816 1 11 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.163 2.459 17896 2817 1 11 . 1 1 58 58 GLU N N 58 123.079 123.079 118.098 4.981 17896 2818 1 11 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.128 0.634 17896 2819 1 11 . 1 1 58 58 GLU CA C 58 59.809 59.809 58.724 1.085 17896 2820 1 11 . 1 1 58 58 GLU H H 58 9.387 9.387 8.646 0.741 17896 2821 1 11 . 1 1 59 59 ASP N N 59 117.677 117.677 118.119 -0.442 17896 2822 1 11 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.471 0.119 17896 2823 1 11 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.440 0.185 17896 2824 1 11 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.194 -0.303 17896 2825 1 11 . 1 1 59 59 ASP H H 59 8.035 8.035 8.158 -0.123 17896 2826 1 11 . 1 1 60 60 ILE N N 60 119.506 119.506 111.683 7.823 17896 2827 1 11 . 1 1 60 60 ILE H H 60 8.238 8.238 7.354 0.884 17896 2828 1 11 . 1 1 61 61 PHE N N 61 115.913 115.913 122.981 -7.068 17896 2829 1 11 . 1 1 61 61 PHE H H 61 8.548 8.548 8.408 0.140 17896 2830 1 11 . 1 1 62 62 GLN N N 62 116.558 116.558 125.149 -8.591 17896 2831 1 11 . 1 1 62 62 GLN H H 62 8.808 8.808 7.540 1.268 17896 2832 1 11 . 1 1 63 63 TRP N N 63 125.624 125.624 119.949 5.675 17896 2833 1 11 . 1 1 63 63 TRP H H 63 9.515 9.515 8.320 1.195 17896 2834 1 11 . 1 1 64 64 GLN N N 64 127.215 127.215 113.120 14.095 17896 2835 1 11 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.276 3.297 17896 2836 1 11 . 1 1 64 64 GLN H H 64 8.023 8.023 7.702 0.321 17896 2837 1 11 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.177 0.533 17896 2838 1 11 . 1 1 65 65 PRO CA C 65 62.800 62.800 62.995 -0.195 17896 2839 1 12 . 1 1 2 2 ILE N N 2 123.023 123.023 120.006 3.017 17896 2840 1 12 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.100 1.832 17896 2841 1 12 . 1 1 2 2 ILE H H 2 9.199 9.199 9.157 0.042 17896 2842 1 12 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.838 0.661 17896 2843 1 12 . 1 1 3 3 ILE CA C 3 60.783 60.783 62.217 -1.434 17896 2844 1 12 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.130 1.425 17896 2845 1 12 . 1 1 4 4 ASN N N 4 124.021 124.021 119.882 4.139 17896 2846 1 12 . 1 1 4 4 ASN CB C 4 40.713 40.713 37.411 3.302 17896 2847 1 12 . 1 1 4 4 ASN H H 4 9.123 9.123 8.012 1.111 17896 2848 1 12 . 1 1 6 6 LEU N N 6 120.649 120.649 121.738 -1.089 17896 2849 1 12 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.160 -0.376 17896 2850 1 12 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.096 2.503 17896 2851 1 12 . 1 1 6 6 LEU H H 6 8.602 8.602 8.685 -0.083 17896 2852 1 12 . 1 1 7 7 LYS N N 7 118.177 118.177 118.634 -0.457 17896 2853 1 12 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.014 -0.082 17896 2854 1 12 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.868 2.438 17896 2855 1 12 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.388 1.046 17896 2856 1 12 . 1 1 7 7 LYS H H 7 8.972 8.972 7.807 1.165 17896 2857 1 12 . 1 1 8 8 LEU N N 8 116.322 116.322 120.334 -4.012 17896 2858 1 12 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.116 0.074 17896 2859 1 12 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.378 0.912 17896 2860 1 12 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.761 1.998 17896 2861 1 12 . 1 1 8 8 LEU H H 8 7.743 7.743 7.654 0.089 17896 2862 1 12 . 1 1 9 9 ILE N N 9 119.138 119.138 119.742 -0.604 17896 2863 1 12 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.681 0.233 17896 2864 1 12 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.703 0.155 17896 2865 1 12 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.542 1.142 17896 2866 1 12 . 1 1 9 9 ILE H H 9 8.239 8.239 7.497 0.742 17896 2867 1 12 . 1 1 10 10 ARG N N 10 120.186 120.186 120.853 -0.667 17896 2868 1 12 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.907 -0.017 17896 2869 1 12 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.098 1.570 17896 2870 1 12 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.384 -0.990 17896 2871 1 12 . 1 1 10 10 ARG H H 10 9.291 9.291 8.784 0.507 17896 2872 1 12 . 1 1 11 11 GLU N N 11 115.814 115.814 117.639 -1.825 17896 2873 1 12 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.107 0.094 17896 2874 1 12 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.020 1.266 17896 2875 1 12 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.869 0.945 17896 2876 1 12 . 1 1 11 11 GLU H H 11 8.732 8.732 7.898 0.834 17896 2877 1 12 . 1 1 12 12 LYS N N 12 122.969 122.969 120.688 2.281 17896 2878 1 12 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.128 0.095 17896 2879 1 12 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.468 1.749 17896 2880 1 12 . 1 1 12 12 LYS CB C 12 32.898 32.898 31.861 1.037 17896 2881 1 12 . 1 1 12 12 LYS H H 12 8.275 8.275 7.739 0.536 17896 2882 1 12 . 1 1 13 13 LYS N N 13 116.324 116.324 115.791 0.533 17896 2883 1 12 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.396 -0.084 17896 2884 1 12 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.515 0.416 17896 2885 1 12 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.440 -0.687 17896 2886 1 12 . 1 1 13 13 LYS H H 13 7.800 7.800 7.433 0.367 17896 2887 1 12 . 1 1 14 14 LYS N N 14 115.342 115.342 116.194 -0.852 17896 2888 1 12 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.900 0.145 17896 2889 1 12 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.958 1.096 17896 2890 1 12 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.248 -0.200 17896 2891 1 12 . 1 1 14 14 LYS H H 14 8.090 8.090 7.878 0.212 17896 2892 1 12 . 1 1 15 15 ILE N N 15 118.356 118.356 119.523 -1.167 17896 2893 1 12 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.280 0.354 17896 2894 1 12 . 1 1 15 15 ILE CA C 15 60.680 60.680 59.953 0.727 17896 2895 1 12 . 1 1 15 15 ILE CB C 15 41.559 41.559 41.344 0.215 17896 2896 1 12 . 1 1 15 15 ILE H H 15 7.593 7.593 8.175 -0.582 17896 2897 1 12 . 1 1 16 16 SER N N 16 125.139 125.139 119.898 5.241 17896 2898 1 12 . 1 1 16 16 SER HA H 16 4.571 4.571 4.603 -0.032 17896 2899 1 12 . 1 1 16 16 SER CA C 16 57.781 57.781 56.997 0.784 17896 2900 1 12 . 1 1 16 16 SER H H 16 9.500 9.500 8.529 0.971 17896 2901 1 12 . 1 1 17 17 GLN N N 17 120.188 120.188 121.316 -1.128 17896 2902 1 12 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.159 -0.280 17896 2903 1 12 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.020 3.643 17896 2904 1 12 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.290 1.454 17896 2905 1 12 . 1 1 17 17 GLN H H 17 9.575 9.575 8.998 0.577 17896 2906 1 12 . 1 1 18 18 SER N N 18 113.031 113.031 114.434 -1.403 17896 2907 1 12 . 1 1 18 18 SER H H 18 9.031 9.031 8.583 0.448 17896 2908 1 12 . 1 1 19 19 GLU N N 19 124.044 124.044 120.315 3.729 17896 2909 1 12 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.102 0.080 17896 2910 1 12 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.334 0.075 17896 2911 1 12 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.488 0.950 17896 2912 1 12 . 1 1 19 19 GLU H H 19 8.381 8.381 8.048 0.333 17896 2913 1 12 . 1 1 20 20 LEU N N 20 120.001 120.001 116.505 3.496 17896 2914 1 12 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.470 -0.371 17896 2915 1 12 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.138 1.312 17896 2916 1 12 . 1 1 20 20 LEU H H 20 8.340 8.340 7.265 1.075 17896 2917 1 12 . 1 1 21 21 ALA N N 21 119.822 119.822 121.118 -1.296 17896 2918 1 12 . 1 1 21 21 ALA HA H 21 3.596 3.596 4.013 -0.417 17896 2919 1 12 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.791 0.017 17896 2920 1 12 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.161 -0.405 17896 2921 1 12 . 1 1 21 21 ALA H H 21 8.632 8.632 8.734 -0.102 17896 2922 1 12 . 1 1 22 22 ALA N N 22 117.186 117.186 120.013 -2.827 17896 2923 1 12 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.090 0.192 17896 2924 1 12 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.319 1.213 17896 2925 1 12 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.479 0.074 17896 2926 1 12 . 1 1 22 22 ALA H H 22 7.847 7.847 7.450 0.397 17896 2927 1 12 . 1 1 23 23 LEU N N 23 118.505 118.505 118.095 0.410 17896 2928 1 12 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.020 0.031 17896 2929 1 12 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.694 1.433 17896 2930 1 12 . 1 1 23 23 LEU H H 23 7.546 7.546 7.532 0.014 17896 2931 1 12 . 1 1 24 24 LEU N N 24 114.492 114.492 111.354 3.138 17896 2932 1 12 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.282 0.004 17896 2933 1 12 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.713 0.981 17896 2934 1 12 . 1 1 24 24 LEU H H 24 7.450 7.450 7.418 0.032 17896 2935 1 12 . 1 1 25 25 GLU N N 25 114.844 114.844 113.965 0.879 17896 2936 1 12 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.957 0.089 17896 2937 1 12 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.352 0.881 17896 2938 1 12 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.722 0.171 17896 2939 1 12 . 1 1 25 25 GLU H H 25 8.045 8.045 7.938 0.107 17896 2940 1 12 . 1 1 26 26 VAL N N 26 109.674 109.674 112.130 -2.456 17896 2941 1 12 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.462 0.308 17896 2942 1 12 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.363 -1.020 17896 2943 1 12 . 1 1 26 26 VAL H H 26 8.012 8.012 7.328 0.684 17896 2944 1 12 . 1 1 27 27 SER N N 27 114.352 114.352 116.731 -2.379 17896 2945 1 12 . 1 1 27 27 SER CB C 27 63.110 63.110 63.836 -0.726 17896 2946 1 12 . 1 1 27 27 SER H H 27 8.672 8.672 8.296 0.376 17896 2947 1 12 . 1 1 28 28 ARG N N 28 115.247 115.247 127.482 -12.235 17896 2948 1 12 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.908 -0.149 17896 2949 1 12 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.090 0.668 17896 2950 1 12 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.144 -0.194 17896 2951 1 12 . 1 1 28 28 ARG H H 28 8.263 8.263 8.998 -0.735 17896 2952 1 12 . 1 1 29 29 GLN N N 29 117.283 117.283 117.263 0.020 17896 2953 1 12 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.025 0.174 17896 2954 1 12 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.317 0.696 17896 2955 1 12 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.537 0.931 17896 2956 1 12 . 1 1 29 29 GLN H H 29 8.866 8.866 8.863 0.003 17896 2957 1 12 . 1 1 30 30 THR N N 30 119.955 119.955 115.368 4.587 17896 2958 1 12 . 1 1 30 30 THR HA H 30 4.454 4.454 4.002 0.452 17896 2959 1 12 . 1 1 30 30 THR CA C 30 68.781 68.781 65.507 3.274 17896 2960 1 12 . 1 1 30 30 THR CB C 30 67.567 67.567 67.935 -0.368 17896 2961 1 12 . 1 1 30 30 THR H H 30 8.168 8.168 7.953 0.215 17896 2962 1 12 . 1 1 31 31 ILE N N 31 118.777 118.777 123.092 -4.315 17896 2963 1 12 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.633 0.166 17896 2964 1 12 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.315 -1.386 17896 2965 1 12 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.149 -1.172 17896 2966 1 12 . 1 1 31 31 ILE H H 31 7.159 7.159 7.833 -0.674 17896 2967 1 12 . 1 1 32 32 ASN N N 32 118.007 118.007 118.539 -0.532 17896 2968 1 12 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.389 -0.018 17896 2969 1 12 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.384 1.668 17896 2970 1 12 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.432 1.649 17896 2971 1 12 . 1 1 32 32 ASN H H 32 8.692 8.692 8.987 -0.295 17896 2972 1 12 . 1 1 33 33 GLY N N 33 124.878 124.878 108.975 15.903 17896 2973 1 12 . 1 1 33 33 GLY H H 33 8.688 8.688 8.215 0.473 17896 2974 1 12 . 1 1 34 34 ILE N N 34 122.256 122.256 121.089 1.167 17896 2975 1 12 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.686 0.626 17896 2976 1 12 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.644 1.810 17896 2977 1 12 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.561 1.625 17896 2978 1 12 . 1 1 34 34 ILE H H 34 8.244 8.244 8.543 -0.299 17896 2979 1 12 . 1 1 35 35 GLU N N 35 120.621 120.621 119.579 1.042 17896 2980 1 12 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.189 0.125 17896 2981 1 12 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.993 1.599 17896 2982 1 12 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.348 0.404 17896 2983 1 12 . 1 1 35 35 GLU H H 35 8.646 8.646 8.158 0.488 17896 2984 1 12 . 1 1 36 36 LYS N N 36 115.927 115.927 119.487 -3.560 17896 2985 1 12 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.145 0.458 17896 2986 1 12 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.524 -0.240 17896 2987 1 12 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.317 1.522 17896 2988 1 12 . 1 1 36 36 LYS H H 36 8.125 8.125 7.531 0.594 17896 2989 1 12 . 1 1 37 37 ASN N N 37 114.474 114.474 114.183 0.291 17896 2990 1 12 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.572 0.162 17896 2991 1 12 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.459 0.975 17896 2992 1 12 . 1 1 37 37 ASN CB C 37 37.804 37.804 36.824 0.980 17896 2993 1 12 . 1 1 37 37 ASN H H 37 8.238 8.238 8.575 -0.337 17896 2994 1 12 . 1 1 38 38 LYS N N 38 115.022 115.022 118.762 -3.740 17896 2995 1 12 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.535 -0.071 17896 2996 1 12 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.096 -1.482 17896 2997 1 12 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.158 -1.072 17896 2998 1 12 . 1 1 38 38 LYS H H 38 8.761 8.761 8.469 0.292 17896 2999 1 12 . 1 1 39 39 TYR N N 39 117.018 117.018 114.151 2.867 17896 3000 1 12 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.664 0.046 17896 3001 1 12 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.155 0.222 17896 3002 1 12 . 1 1 39 39 TYR H H 39 7.098 7.098 7.506 -0.408 17896 3003 1 12 . 1 1 40 40 ASN N N 40 123.636 123.636 119.571 4.065 17896 3004 1 12 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.467 0.909 17896 3005 1 12 . 1 1 40 40 ASN H H 40 8.904 8.904 8.492 0.412 17896 3006 1 12 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.520 -0.630 17896 3007 1 12 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.106 0.364 17896 3008 1 12 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.208 0.253 17896 3009 1 12 . 1 1 42 42 SER N N 42 125.765 125.765 116.867 8.898 17896 3010 1 12 . 1 1 42 42 SER HA H 42 4.571 4.571 4.532 0.039 17896 3011 1 12 . 1 1 42 42 SER CA C 42 58.198 58.198 58.276 -0.078 17896 3012 1 12 . 1 1 42 42 SER H H 42 8.107 8.107 8.398 -0.291 17896 3013 1 12 . 1 1 43 43 LEU N N 43 120.617 120.617 125.839 -5.222 17896 3014 1 12 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.000 0.014 17896 3015 1 12 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.145 0.099 17896 3016 1 12 . 1 1 43 43 LEU H H 43 9.322 9.322 8.921 0.401 17896 3017 1 12 . 1 1 44 44 GLN N N 44 115.972 115.972 118.104 -2.132 17896 3018 1 12 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.079 -0.344 17896 3019 1 12 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.334 1.538 17896 3020 1 12 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.713 1.437 17896 3021 1 12 . 1 1 44 44 GLN H H 44 8.952 8.952 8.703 0.249 17896 3022 1 12 . 1 1 45 45 LEU N N 45 119.443 119.443 115.739 3.704 17896 3023 1 12 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.314 -0.654 17896 3024 1 12 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.211 -2.349 17896 3025 1 12 . 1 1 45 45 LEU H H 45 8.129 8.129 7.405 0.724 17896 3026 1 12 . 1 1 46 46 ALA N N 46 120.485 120.485 122.665 -2.180 17896 3027 1 12 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.009 0.051 17896 3028 1 12 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.048 1.437 17896 3029 1 12 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.301 2.440 17896 3030 1 12 . 1 1 46 46 ALA H H 46 8.531 8.531 8.443 0.088 17896 3031 1 12 . 1 1 47 47 LEU N N 47 116.554 116.554 119.595 -3.041 17896 3032 1 12 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.894 0.318 17896 3033 1 12 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.556 -0.155 17896 3034 1 12 . 1 1 47 47 LEU H H 47 8.761 8.761 8.581 0.180 17896 3035 1 12 . 1 1 48 48 LYS N N 48 121.029 121.029 118.418 2.611 17896 3036 1 12 . 1 1 48 48 LYS HA H 48 3.681 3.681 3.965 -0.284 17896 3037 1 12 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.406 1.321 17896 3038 1 12 . 1 1 48 48 LYS H H 48 8.068 8.068 7.555 0.513 17896 3039 1 12 . 1 1 49 49 ILE N N 49 120.454 120.454 121.090 -0.636 17896 3040 1 12 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.904 -0.230 17896 3041 1 12 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.190 3.912 17896 3042 1 12 . 1 1 49 49 ILE H H 49 8.822 8.822 7.867 0.955 17896 3043 1 12 . 1 1 50 50 ALA N N 50 120.394 120.394 123.012 -2.618 17896 3044 1 12 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.045 0.068 17896 3045 1 12 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.383 0.914 17896 3046 1 12 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.088 0.844 17896 3047 1 12 . 1 1 50 50 ALA H H 50 8.217 8.217 9.012 -0.795 17896 3048 1 12 . 1 1 51 51 TYR N N 51 117.083 117.083 117.548 -0.465 17896 3049 1 12 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.002 0.369 17896 3050 1 12 . 1 1 51 51 TYR CA C 51 62.296 62.296 61.456 0.840 17896 3051 1 12 . 1 1 51 51 TYR H H 51 8.187 8.187 7.782 0.405 17896 3052 1 12 . 1 1 52 52 TYR N N 52 118.569 118.569 114.153 4.416 17896 3053 1 12 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.449 -0.140 17896 3054 1 12 . 1 1 52 52 TYR CA C 52 63.752 63.752 59.502 4.250 17896 3055 1 12 . 1 1 52 52 TYR H H 52 9.091 9.091 7.473 1.618 17896 3056 1 12 . 1 1 53 53 LEU N N 53 115.465 115.465 119.864 -4.399 17896 3057 1 12 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.345 0.237 17896 3058 1 12 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.701 -0.565 17896 3059 1 12 . 1 1 53 53 LEU H H 53 8.443 8.443 8.306 0.137 17896 3060 1 12 . 1 1 54 54 ASN N N 54 122.105 122.105 114.343 7.762 17896 3061 1 12 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.374 0.076 17896 3062 1 12 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.602 0.053 17896 3063 1 12 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.103 1.382 17896 3064 1 12 . 1 1 54 54 ASN H H 54 8.099 8.099 7.779 0.320 17896 3065 1 12 . 1 1 55 55 THR N N 55 114.942 114.942 114.476 0.466 17896 3066 1 12 . 1 1 55 55 THR HA H 55 5.014 5.014 4.621 0.393 17896 3067 1 12 . 1 1 55 55 THR CA C 55 60.889 60.889 60.670 0.219 17896 3068 1 12 . 1 1 55 55 THR CB C 55 75.500 75.500 71.418 4.082 17896 3069 1 12 . 1 1 55 55 THR H H 55 8.277 8.277 7.672 0.605 17896 3070 1 12 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.476 0.103 17896 3071 1 12 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.645 0.631 17896 3072 1 12 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.537 -0.302 17896 3073 1 12 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.047 0.124 17896 3074 1 12 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.343 2.279 17896 3075 1 12 . 1 1 58 58 GLU N N 58 123.079 123.079 115.535 7.544 17896 3076 1 12 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.029 0.733 17896 3077 1 12 . 1 1 58 58 GLU CA C 58 59.809 59.809 58.750 1.059 17896 3078 1 12 . 1 1 58 58 GLU H H 58 9.387 9.387 8.721 0.666 17896 3079 1 12 . 1 1 59 59 ASP N N 59 117.677 117.677 118.239 -0.562 17896 3080 1 12 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.483 0.107 17896 3081 1 12 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.089 0.536 17896 3082 1 12 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.611 -0.720 17896 3083 1 12 . 1 1 59 59 ASP H H 59 8.035 8.035 7.744 0.291 17896 3084 1 12 . 1 1 60 60 ILE N N 60 119.506 119.506 112.117 7.389 17896 3085 1 12 . 1 1 60 60 ILE H H 60 8.238 8.238 7.404 0.834 17896 3086 1 12 . 1 1 61 61 PHE N N 61 115.913 115.913 124.316 -8.403 17896 3087 1 12 . 1 1 61 61 PHE H H 61 8.548 8.548 8.731 -0.183 17896 3088 1 12 . 1 1 62 62 GLN N N 62 116.558 116.558 122.896 -6.338 17896 3089 1 12 . 1 1 62 62 GLN H H 62 8.808 8.808 7.659 1.149 17896 3090 1 12 . 1 1 63 63 TRP N N 63 125.624 125.624 124.408 1.216 17896 3091 1 12 . 1 1 63 63 TRP H H 63 9.515 9.515 7.802 1.713 17896 3092 1 12 . 1 1 64 64 GLN N N 64 127.215 127.215 114.337 12.878 17896 3093 1 12 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.378 4.195 17896 3094 1 12 . 1 1 64 64 GLN H H 64 8.023 8.023 8.176 -0.153 17896 3095 1 12 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.300 0.410 17896 3096 1 12 . 1 1 65 65 PRO CA C 65 62.800 62.800 64.632 -1.832 17896 3097 1 13 . 1 1 2 2 ILE N N 2 123.023 123.023 116.473 6.550 17896 3098 1 13 . 1 1 2 2 ILE CB C 2 39.932 39.932 36.734 3.198 17896 3099 1 13 . 1 1 2 2 ILE H H 2 9.199 9.199 8.062 1.137 17896 3100 1 13 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.049 0.450 17896 3101 1 13 . 1 1 3 3 ILE CA C 3 60.783 60.783 60.200 0.583 17896 3102 1 13 . 1 1 3 3 ILE CB C 3 39.555 39.555 39.422 0.133 17896 3103 1 13 . 1 1 4 4 ASN N N 4 124.021 124.021 126.182 -2.161 17896 3104 1 13 . 1 1 4 4 ASN CB C 4 40.713 40.713 39.217 1.496 17896 3105 1 13 . 1 1 4 4 ASN H H 4 9.123 9.123 8.599 0.524 17896 3106 1 13 . 1 1 6 6 LEU N N 6 120.649 120.649 122.235 -1.586 17896 3107 1 13 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.101 -0.317 17896 3108 1 13 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.245 2.354 17896 3109 1 13 . 1 1 6 6 LEU H H 6 8.602 8.602 8.479 0.123 17896 3110 1 13 . 1 1 7 7 LYS N N 7 118.177 118.177 118.851 -0.674 17896 3111 1 13 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.991 -0.059 17896 3112 1 13 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.357 1.949 17896 3113 1 13 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.570 0.864 17896 3114 1 13 . 1 1 7 7 LYS H H 7 8.972 8.972 7.875 1.097 17896 3115 1 13 . 1 1 8 8 LEU N N 8 116.322 116.322 121.149 -4.827 17896 3116 1 13 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.111 0.079 17896 3117 1 13 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.271 1.019 17896 3118 1 13 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.544 2.215 17896 3119 1 13 . 1 1 8 8 LEU H H 8 7.743 7.743 7.802 -0.059 17896 3120 1 13 . 1 1 9 9 ILE N N 9 119.138 119.138 119.459 -0.321 17896 3121 1 13 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.622 0.292 17896 3122 1 13 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.046 -0.188 17896 3123 1 13 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.465 1.219 17896 3124 1 13 . 1 1 9 9 ILE H H 9 8.239 8.239 8.872 -0.633 17896 3125 1 13 . 1 1 10 10 ARG N N 10 120.186 120.186 121.087 -0.901 17896 3126 1 13 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.879 0.011 17896 3127 1 13 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.182 1.486 17896 3128 1 13 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.287 -0.893 17896 3129 1 13 . 1 1 10 10 ARG H H 10 9.291 9.291 8.643 0.648 17896 3130 1 13 . 1 1 11 11 GLU N N 11 115.814 115.814 118.185 -2.371 17896 3131 1 13 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.158 0.043 17896 3132 1 13 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.632 1.654 17896 3133 1 13 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.149 0.665 17896 3134 1 13 . 1 1 11 11 GLU H H 11 8.732 8.732 8.119 0.613 17896 3135 1 13 . 1 1 12 12 LYS N N 12 122.969 122.969 120.537 2.432 17896 3136 1 13 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.128 0.095 17896 3137 1 13 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.407 1.810 17896 3138 1 13 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.505 0.393 17896 3139 1 13 . 1 1 12 12 LYS H H 12 8.275 8.275 8.031 0.244 17896 3140 1 13 . 1 1 13 13 LYS N N 13 116.324 116.324 116.001 0.323 17896 3141 1 13 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.267 0.045 17896 3142 1 13 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.171 -0.240 17896 3143 1 13 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.468 -0.715 17896 3144 1 13 . 1 1 13 13 LYS H H 13 7.800 7.800 8.048 -0.248 17896 3145 1 13 . 1 1 14 14 LYS N N 14 115.342 115.342 114.617 0.725 17896 3146 1 13 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.995 0.050 17896 3147 1 13 . 1 1 14 14 LYS CA C 14 58.054 58.054 57.039 1.015 17896 3148 1 13 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.245 -0.197 17896 3149 1 13 . 1 1 14 14 LYS H H 14 8.090 8.090 7.556 0.534 17896 3150 1 13 . 1 1 15 15 ILE N N 15 118.356 118.356 119.201 -0.845 17896 3151 1 13 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.339 0.295 17896 3152 1 13 . 1 1 15 15 ILE CA C 15 60.680 60.680 59.536 1.143 17896 3153 1 13 . 1 1 15 15 ILE CB C 15 41.559 41.559 42.788 -1.229 17896 3154 1 13 . 1 1 15 15 ILE H H 15 7.593 7.593 8.515 -0.922 17896 3155 1 13 . 1 1 16 16 SER N N 16 125.139 125.139 120.188 4.951 17896 3156 1 13 . 1 1 16 16 SER HA H 16 4.571 4.571 4.755 -0.184 17896 3157 1 13 . 1 1 16 16 SER CA C 16 57.781 57.781 56.903 0.878 17896 3158 1 13 . 1 1 16 16 SER H H 16 9.500 9.500 9.510 -0.010 17896 3159 1 13 . 1 1 17 17 GLN N N 17 120.188 120.188 121.396 -1.208 17896 3160 1 13 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.058 -0.179 17896 3161 1 13 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.487 3.175 17896 3162 1 13 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.554 1.190 17896 3163 1 13 . 1 1 17 17 GLN H H 17 9.575 9.575 8.911 0.664 17896 3164 1 13 . 1 1 18 18 SER N N 18 113.031 113.031 114.620 -1.589 17896 3165 1 13 . 1 1 18 18 SER H H 18 9.031 9.031 8.409 0.622 17896 3166 1 13 . 1 1 19 19 GLU N N 19 124.044 124.044 120.548 3.496 17896 3167 1 13 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.056 0.126 17896 3168 1 13 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.340 0.069 17896 3169 1 13 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.250 1.189 17896 3170 1 13 . 1 1 19 19 GLU H H 19 8.381 8.381 8.000 0.381 17896 3171 1 13 . 1 1 20 20 LEU N N 20 120.001 120.001 116.711 3.290 17896 3172 1 13 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.454 -0.355 17896 3173 1 13 . 1 1 20 20 LEU CA C 20 58.450 58.450 56.683 1.767 17896 3174 1 13 . 1 1 20 20 LEU H H 20 8.340 8.340 7.495 0.845 17896 3175 1 13 . 1 1 21 21 ALA N N 21 119.822 119.822 122.693 -2.871 17896 3176 1 13 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.904 -0.308 17896 3177 1 13 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.797 0.011 17896 3178 1 13 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.255 -0.499 17896 3179 1 13 . 1 1 21 21 ALA H H 21 8.632 8.632 8.594 0.038 17896 3180 1 13 . 1 1 22 22 ALA N N 22 117.186 117.186 119.962 -2.776 17896 3181 1 13 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.088 0.194 17896 3182 1 13 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.366 1.166 17896 3183 1 13 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.510 0.043 17896 3184 1 13 . 1 1 22 22 ALA H H 22 7.847 7.847 7.413 0.434 17896 3185 1 13 . 1 1 23 23 LEU N N 23 118.505 118.505 118.709 -0.204 17896 3186 1 13 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.086 -0.035 17896 3187 1 13 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.236 0.891 17896 3188 1 13 . 1 1 23 23 LEU H H 23 7.546 7.546 7.639 -0.093 17896 3189 1 13 . 1 1 24 24 LEU N N 24 114.492 114.492 113.957 0.535 17896 3190 1 13 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.288 -0.002 17896 3191 1 13 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.004 0.690 17896 3192 1 13 . 1 1 24 24 LEU H H 24 7.450 7.450 7.546 -0.096 17896 3193 1 13 . 1 1 25 25 GLU N N 25 114.844 114.844 113.650 1.194 17896 3194 1 13 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.888 0.158 17896 3195 1 13 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.474 0.759 17896 3196 1 13 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.667 0.226 17896 3197 1 13 . 1 1 25 25 GLU H H 25 8.045 8.045 8.329 -0.284 17896 3198 1 13 . 1 1 26 26 VAL N N 26 109.674 109.674 111.427 -1.753 17896 3199 1 13 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.426 0.344 17896 3200 1 13 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.140 -0.797 17896 3201 1 13 . 1 1 26 26 VAL H H 26 8.012 8.012 7.283 0.729 17896 3202 1 13 . 1 1 27 27 SER N N 27 114.352 114.352 115.849 -1.497 17896 3203 1 13 . 1 1 27 27 SER CB C 27 63.110 63.110 63.908 -0.798 17896 3204 1 13 . 1 1 27 27 SER H H 27 8.672 8.672 8.404 0.268 17896 3205 1 13 . 1 1 28 28 ARG N N 28 115.247 115.247 126.652 -11.405 17896 3206 1 13 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.939 -0.180 17896 3207 1 13 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.980 0.778 17896 3208 1 13 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.085 -0.135 17896 3209 1 13 . 1 1 28 28 ARG H H 28 8.263 8.263 8.929 -0.666 17896 3210 1 13 . 1 1 29 29 GLN N N 29 117.283 117.283 116.329 0.954 17896 3211 1 13 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.092 0.107 17896 3212 1 13 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.173 0.840 17896 3213 1 13 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.579 0.889 17896 3214 1 13 . 1 1 29 29 GLN H H 29 8.866 8.866 8.861 0.005 17896 3215 1 13 . 1 1 30 30 THR N N 30 119.955 119.955 116.145 3.810 17896 3216 1 13 . 1 1 30 30 THR HA H 30 4.454 4.454 3.978 0.476 17896 3217 1 13 . 1 1 30 30 THR CA C 30 68.781 68.781 65.799 2.982 17896 3218 1 13 . 1 1 30 30 THR CB C 30 67.567 67.567 68.235 -0.668 17896 3219 1 13 . 1 1 30 30 THR H H 30 8.168 8.168 7.305 0.863 17896 3220 1 13 . 1 1 31 31 ILE N N 31 118.777 118.777 122.786 -4.009 17896 3221 1 13 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.630 0.169 17896 3222 1 13 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.889 -1.960 17896 3223 1 13 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.859 -1.882 17896 3224 1 13 . 1 1 31 31 ILE H H 31 7.159 7.159 7.614 -0.455 17896 3225 1 13 . 1 1 32 32 ASN N N 32 118.007 118.007 118.704 -0.697 17896 3226 1 13 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.469 -0.098 17896 3227 1 13 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.260 1.792 17896 3228 1 13 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.178 1.903 17896 3229 1 13 . 1 1 32 32 ASN H H 32 8.692 8.692 8.940 -0.248 17896 3230 1 13 . 1 1 33 33 GLY N N 33 124.878 124.878 108.259 16.619 17896 3231 1 13 . 1 1 33 33 GLY H H 33 8.688 8.688 8.260 0.428 17896 3232 1 13 . 1 1 34 34 ILE N N 34 122.256 122.256 121.886 0.370 17896 3233 1 13 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.512 0.800 17896 3234 1 13 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.183 1.271 17896 3235 1 13 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.501 1.685 17896 3236 1 13 . 1 1 34 34 ILE H H 34 8.244 8.244 8.576 -0.332 17896 3237 1 13 . 1 1 35 35 GLU N N 35 120.621 120.621 119.781 0.840 17896 3238 1 13 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.142 0.172 17896 3239 1 13 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.432 2.160 17896 3240 1 13 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.245 0.507 17896 3241 1 13 . 1 1 35 35 GLU H H 35 8.646 8.646 8.624 0.022 17896 3242 1 13 . 1 1 36 36 LYS N N 36 115.927 115.927 118.234 -2.307 17896 3243 1 13 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.161 0.442 17896 3244 1 13 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.257 0.027 17896 3245 1 13 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.054 1.785 17896 3246 1 13 . 1 1 36 36 LYS H H 36 8.125 8.125 7.502 0.623 17896 3247 1 13 . 1 1 37 37 ASN N N 37 114.474 114.474 115.659 -1.185 17896 3248 1 13 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.517 0.217 17896 3249 1 13 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.575 0.859 17896 3250 1 13 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.960 -0.156 17896 3251 1 13 . 1 1 37 37 ASN H H 37 8.238 8.238 8.539 -0.301 17896 3252 1 13 . 1 1 38 38 LYS N N 38 115.022 115.022 118.282 -3.260 17896 3253 1 13 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.498 -0.034 17896 3254 1 13 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.355 -1.741 17896 3255 1 13 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.072 -0.987 17896 3256 1 13 . 1 1 38 38 LYS H H 38 8.761 8.761 8.326 0.435 17896 3257 1 13 . 1 1 39 39 TYR N N 39 117.018 117.018 113.799 3.219 17896 3258 1 13 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.630 0.080 17896 3259 1 13 . 1 1 39 39 TYR CA C 39 56.377 56.377 55.753 0.624 17896 3260 1 13 . 1 1 39 39 TYR H H 39 7.098 7.098 7.291 -0.193 17896 3261 1 13 . 1 1 40 40 ASN N N 40 123.636 123.636 120.259 3.377 17896 3262 1 13 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.498 -0.122 17896 3263 1 13 . 1 1 40 40 ASN H H 40 8.904 8.904 8.631 0.273 17896 3264 1 13 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.533 -0.643 17896 3265 1 13 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.061 0.409 17896 3266 1 13 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.286 0.175 17896 3267 1 13 . 1 1 42 42 SER N N 42 125.765 125.765 117.149 8.616 17896 3268 1 13 . 1 1 42 42 SER HA H 42 4.571 4.571 4.327 0.244 17896 3269 1 13 . 1 1 42 42 SER CA C 42 58.198 58.198 59.368 -1.170 17896 3270 1 13 . 1 1 42 42 SER H H 42 8.107 8.107 8.504 -0.397 17896 3271 1 13 . 1 1 43 43 LEU N N 43 120.617 120.617 126.733 -6.116 17896 3272 1 13 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.972 0.042 17896 3273 1 13 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.820 0.425 17896 3274 1 13 . 1 1 43 43 LEU H H 43 9.322 9.322 8.817 0.505 17896 3275 1 13 . 1 1 44 44 GLN N N 44 115.972 115.972 117.710 -1.738 17896 3276 1 13 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.100 -0.365 17896 3277 1 13 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.905 1.967 17896 3278 1 13 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.811 1.339 17896 3279 1 13 . 1 1 44 44 GLN H H 44 8.952 8.952 8.780 0.172 17896 3280 1 13 . 1 1 45 45 LEU N N 45 119.443 119.443 116.001 3.442 17896 3281 1 13 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.366 -0.706 17896 3282 1 13 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.098 -2.236 17896 3283 1 13 . 1 1 45 45 LEU H H 45 8.129 8.129 7.330 0.799 17896 3284 1 13 . 1 1 46 46 ALA N N 46 120.485 120.485 123.486 -3.001 17896 3285 1 13 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.041 0.019 17896 3286 1 13 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.160 1.325 17896 3287 1 13 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.172 2.568 17896 3288 1 13 . 1 1 46 46 ALA H H 46 8.531 8.531 8.961 -0.430 17896 3289 1 13 . 1 1 47 47 LEU N N 47 116.554 116.554 119.931 -3.377 17896 3290 1 13 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.032 0.180 17896 3291 1 13 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.459 -0.058 17896 3292 1 13 . 1 1 47 47 LEU H H 47 8.761 8.761 8.641 0.120 17896 3293 1 13 . 1 1 48 48 LYS N N 48 121.029 121.029 119.694 1.335 17896 3294 1 13 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.076 -0.395 17896 3295 1 13 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.803 0.924 17896 3296 1 13 . 1 1 48 48 LYS H H 48 8.068 8.068 7.480 0.588 17896 3297 1 13 . 1 1 49 49 ILE N N 49 120.454 120.454 118.584 1.870 17896 3298 1 13 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.024 -0.350 17896 3299 1 13 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.857 3.245 17896 3300 1 13 . 1 1 49 49 ILE H H 49 8.822 8.822 7.918 0.904 17896 3301 1 13 . 1 1 50 50 ALA N N 50 120.394 120.394 123.723 -3.329 17896 3302 1 13 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.952 0.161 17896 3303 1 13 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.283 1.013 17896 3304 1 13 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.122 0.810 17896 3305 1 13 . 1 1 50 50 ALA H H 50 8.217 8.217 8.942 -0.725 17896 3306 1 13 . 1 1 51 51 TYR N N 51 117.083 117.083 120.267 -3.184 17896 3307 1 13 . 1 1 51 51 TYR HA H 51 4.371 4.371 3.939 0.432 17896 3308 1 13 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.363 -0.067 17896 3309 1 13 . 1 1 51 51 TYR H H 51 8.187 8.187 8.749 -0.562 17896 3310 1 13 . 1 1 52 52 TYR N N 52 118.569 118.569 115.671 2.898 17896 3311 1 13 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.161 0.148 17896 3312 1 13 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.056 2.696 17896 3313 1 13 . 1 1 52 52 TYR H H 52 9.091 9.091 7.904 1.187 17896 3314 1 13 . 1 1 53 53 LEU N N 53 115.465 115.465 118.320 -2.855 17896 3315 1 13 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.178 0.404 17896 3316 1 13 . 1 1 53 53 LEU CA C 53 55.136 55.136 56.683 -1.547 17896 3317 1 13 . 1 1 53 53 LEU H H 53 8.443 8.443 8.448 -0.005 17896 3318 1 13 . 1 1 54 54 ASN N N 54 122.105 122.105 114.266 7.839 17896 3319 1 13 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.407 0.043 17896 3320 1 13 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.464 0.191 17896 3321 1 13 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.685 1.800 17896 3322 1 13 . 1 1 54 54 ASN H H 54 8.099 8.099 7.706 0.393 17896 3323 1 13 . 1 1 55 55 THR N N 55 114.942 114.942 114.459 0.483 17896 3324 1 13 . 1 1 55 55 THR HA H 55 5.014 5.014 4.888 0.126 17896 3325 1 13 . 1 1 55 55 THR CA C 55 60.889 60.889 60.307 0.582 17896 3326 1 13 . 1 1 55 55 THR CB C 55 75.500 75.500 71.585 3.915 17896 3327 1 13 . 1 1 55 55 THR H H 55 8.277 8.277 8.371 -0.094 17896 3328 1 13 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.636 -0.057 17896 3329 1 13 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.245 1.031 17896 3330 1 13 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.685 -0.450 17896 3331 1 13 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.051 0.120 17896 3332 1 13 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.200 2.422 17896 3333 1 13 . 1 1 58 58 GLU N N 58 123.079 123.079 116.108 6.971 17896 3334 1 13 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.172 0.590 17896 3335 1 13 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.195 0.614 17896 3336 1 13 . 1 1 58 58 GLU H H 58 9.387 9.387 8.788 0.599 17896 3337 1 13 . 1 1 59 59 ASP N N 59 117.677 117.677 119.670 -1.993 17896 3338 1 13 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.431 0.159 17896 3339 1 13 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.581 0.044 17896 3340 1 13 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.843 0.048 17896 3341 1 13 . 1 1 59 59 ASP H H 59 8.035 8.035 8.273 -0.238 17896 3342 1 13 . 1 1 60 60 ILE N N 60 119.506 119.506 112.777 6.729 17896 3343 1 13 . 1 1 60 60 ILE H H 60 8.238 8.238 7.508 0.730 17896 3344 1 13 . 1 1 61 61 PHE N N 61 115.913 115.913 122.471 -6.558 17896 3345 1 13 . 1 1 61 61 PHE H H 61 8.548 8.548 8.352 0.196 17896 3346 1 13 . 1 1 62 62 GLN N N 62 116.558 116.558 119.171 -2.613 17896 3347 1 13 . 1 1 62 62 GLN H H 62 8.808 8.808 7.716 1.092 17896 3348 1 13 . 1 1 63 63 TRP N N 63 125.624 125.624 119.380 6.244 17896 3349 1 13 . 1 1 63 63 TRP H H 63 9.515 9.515 7.100 2.415 17896 3350 1 13 . 1 1 64 64 GLN N N 64 127.215 127.215 120.650 6.565 17896 3351 1 13 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.541 3.032 17896 3352 1 13 . 1 1 64 64 GLN H H 64 8.023 8.023 8.532 -0.509 17896 3353 1 13 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.409 0.301 17896 3354 1 13 . 1 1 65 65 PRO CA C 65 62.800 62.800 62.596 0.204 17896 3355 1 14 . 1 1 2 2 ILE N N 2 123.023 123.023 120.628 2.395 17896 3356 1 14 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.258 1.674 17896 3357 1 14 . 1 1 2 2 ILE H H 2 9.199 9.199 8.200 0.999 17896 3358 1 14 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.210 0.289 17896 3359 1 14 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.194 1.589 17896 3360 1 14 . 1 1 3 3 ILE CB C 3 39.555 39.555 39.184 0.370 17896 3361 1 14 . 1 1 4 4 ASN N N 4 124.021 124.021 116.870 7.151 17896 3362 1 14 . 1 1 4 4 ASN CB C 4 40.713 40.713 40.525 0.188 17896 3363 1 14 . 1 1 4 4 ASN H H 4 9.123 9.123 8.264 0.859 17896 3364 1 14 . 1 1 6 6 LEU N N 6 120.649 120.649 122.495 -1.846 17896 3365 1 14 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.128 -0.344 17896 3366 1 14 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.648 2.950 17896 3367 1 14 . 1 1 6 6 LEU H H 6 8.602 8.602 8.996 -0.394 17896 3368 1 14 . 1 1 7 7 LYS N N 7 118.177 118.177 118.250 -0.073 17896 3369 1 14 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.013 -0.080 17896 3370 1 14 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.322 1.984 17896 3371 1 14 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.651 0.783 17896 3372 1 14 . 1 1 7 7 LYS H H 7 8.972 8.972 9.084 -0.112 17896 3373 1 14 . 1 1 8 8 LEU N N 8 116.322 116.322 120.085 -3.763 17896 3374 1 14 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.153 0.037 17896 3375 1 14 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.967 0.324 17896 3376 1 14 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.036 1.723 17896 3377 1 14 . 1 1 8 8 LEU H H 8 7.743 7.743 8.060 -0.317 17896 3378 1 14 . 1 1 9 9 ILE N N 9 119.138 119.138 119.308 -0.170 17896 3379 1 14 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.685 0.229 17896 3380 1 14 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.694 0.164 17896 3381 1 14 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.296 1.388 17896 3382 1 14 . 1 1 9 9 ILE H H 9 8.239 8.239 7.756 0.483 17896 3383 1 14 . 1 1 10 10 ARG N N 10 120.186 120.186 120.967 -0.781 17896 3384 1 14 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.915 -0.025 17896 3385 1 14 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.616 2.052 17896 3386 1 14 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.122 -0.728 17896 3387 1 14 . 1 1 10 10 ARG H H 10 9.291 9.291 8.024 1.267 17896 3388 1 14 . 1 1 11 11 GLU N N 11 115.814 115.814 117.330 -1.516 17896 3389 1 14 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.107 0.094 17896 3390 1 14 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.920 1.366 17896 3391 1 14 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.808 1.006 17896 3392 1 14 . 1 1 11 11 GLU H H 11 8.732 8.732 7.986 0.746 17896 3393 1 14 . 1 1 12 12 LYS N N 12 122.969 122.969 119.976 2.993 17896 3394 1 14 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.139 0.084 17896 3395 1 14 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.404 1.813 17896 3396 1 14 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.117 0.781 17896 3397 1 14 . 1 1 12 12 LYS H H 12 8.275 8.275 7.819 0.456 17896 3398 1 14 . 1 1 13 13 LYS N N 13 116.324 116.324 115.429 0.895 17896 3399 1 14 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.322 -0.010 17896 3400 1 14 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.822 0.109 17896 3401 1 14 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.719 -0.966 17896 3402 1 14 . 1 1 13 13 LYS H H 13 7.800 7.800 7.545 0.255 17896 3403 1 14 . 1 1 14 14 LYS N N 14 115.342 115.342 116.331 -0.989 17896 3404 1 14 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.948 0.097 17896 3405 1 14 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.663 1.391 17896 3406 1 14 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.460 -0.412 17896 3407 1 14 . 1 1 14 14 LYS H H 14 8.090 8.090 7.432 0.658 17896 3408 1 14 . 1 1 15 15 ILE N N 15 118.356 118.356 120.506 -2.150 17896 3409 1 14 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.204 0.430 17896 3410 1 14 . 1 1 15 15 ILE CA C 15 60.680 60.680 59.942 0.738 17896 3411 1 14 . 1 1 15 15 ILE CB C 15 41.559 41.559 40.228 1.331 17896 3412 1 14 . 1 1 15 15 ILE H H 15 7.593 7.593 7.684 -0.091 17896 3413 1 14 . 1 1 16 16 SER N N 16 125.139 125.139 122.108 3.031 17896 3414 1 14 . 1 1 16 16 SER HA H 16 4.571 4.571 4.498 0.073 17896 3415 1 14 . 1 1 16 16 SER CA C 16 57.781 57.781 57.849 -0.068 17896 3416 1 14 . 1 1 16 16 SER H H 16 9.500 9.500 8.787 0.713 17896 3417 1 14 . 1 1 17 17 GLN N N 17 120.188 120.188 121.400 -1.212 17896 3418 1 14 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.064 -0.185 17896 3419 1 14 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.356 3.306 17896 3420 1 14 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.500 1.244 17896 3421 1 14 . 1 1 17 17 GLN H H 17 9.575 9.575 8.974 0.601 17896 3422 1 14 . 1 1 18 18 SER N N 18 113.031 113.031 115.273 -2.242 17896 3423 1 14 . 1 1 18 18 SER H H 18 9.031 9.031 8.175 0.856 17896 3424 1 14 . 1 1 19 19 GLU N N 19 124.044 124.044 120.560 3.484 17896 3425 1 14 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.058 0.124 17896 3426 1 14 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.575 -0.166 17896 3427 1 14 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.598 0.841 17896 3428 1 14 . 1 1 19 19 GLU H H 19 8.381 8.381 7.838 0.543 17896 3429 1 14 . 1 1 20 20 LEU N N 20 120.001 120.001 115.576 4.425 17896 3430 1 14 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.467 -0.368 17896 3431 1 14 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.103 1.347 17896 3432 1 14 . 1 1 20 20 LEU H H 20 8.340 8.340 7.283 1.057 17896 3433 1 14 . 1 1 21 21 ALA N N 21 119.822 119.822 120.522 -0.700 17896 3434 1 14 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.954 -0.358 17896 3435 1 14 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.575 0.233 17896 3436 1 14 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.331 -0.575 17896 3437 1 14 . 1 1 21 21 ALA H H 21 8.632 8.632 8.451 0.181 17896 3438 1 14 . 1 1 22 22 ALA N N 22 117.186 117.186 121.549 -4.363 17896 3439 1 14 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.090 0.192 17896 3440 1 14 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.592 0.940 17896 3441 1 14 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.409 0.144 17896 3442 1 14 . 1 1 22 22 ALA H H 22 7.847 7.847 7.528 0.319 17896 3443 1 14 . 1 1 23 23 LEU N N 23 118.505 118.505 118.582 -0.077 17896 3444 1 14 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.978 0.073 17896 3445 1 14 . 1 1 23 23 LEU CA C 23 58.127 58.127 57.085 1.042 17896 3446 1 14 . 1 1 23 23 LEU H H 23 7.546 7.546 7.877 -0.331 17896 3447 1 14 . 1 1 24 24 LEU N N 24 114.492 114.492 114.254 0.238 17896 3448 1 14 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.281 0.005 17896 3449 1 14 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.457 0.237 17896 3450 1 14 . 1 1 24 24 LEU H H 24 7.450 7.450 7.695 -0.245 17896 3451 1 14 . 1 1 25 25 GLU N N 25 114.844 114.844 114.319 0.525 17896 3452 1 14 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.894 0.152 17896 3453 1 14 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.525 0.708 17896 3454 1 14 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.721 0.172 17896 3455 1 14 . 1 1 25 25 GLU H H 25 8.045 8.045 7.800 0.245 17896 3456 1 14 . 1 1 26 26 VAL N N 26 109.674 109.674 112.843 -3.169 17896 3457 1 14 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.427 0.343 17896 3458 1 14 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.696 -1.353 17896 3459 1 14 . 1 1 26 26 VAL H H 26 8.012 8.012 7.651 0.361 17896 3460 1 14 . 1 1 27 27 SER N N 27 114.352 114.352 117.112 -2.760 17896 3461 1 14 . 1 1 27 27 SER CB C 27 63.110 63.110 63.559 -0.448 17896 3462 1 14 . 1 1 27 27 SER H H 27 8.672 8.672 8.344 0.328 17896 3463 1 14 . 1 1 28 28 ARG N N 28 115.247 115.247 127.791 -12.544 17896 3464 1 14 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.918 -0.159 17896 3465 1 14 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.991 0.767 17896 3466 1 14 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.361 -0.411 17896 3467 1 14 . 1 1 28 28 ARG H H 28 8.263 8.263 8.859 -0.596 17896 3468 1 14 . 1 1 29 29 GLN N N 29 117.283 117.283 117.104 0.179 17896 3469 1 14 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.122 0.077 17896 3470 1 14 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.999 1.014 17896 3471 1 14 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.692 0.776 17896 3472 1 14 . 1 1 29 29 GLN H H 29 8.866 8.866 8.833 0.033 17896 3473 1 14 . 1 1 30 30 THR N N 30 119.955 119.955 113.541 6.414 17896 3474 1 14 . 1 1 30 30 THR HA H 30 4.454 4.454 4.004 0.450 17896 3475 1 14 . 1 1 30 30 THR CA C 30 68.781 68.781 64.942 3.839 17896 3476 1 14 . 1 1 30 30 THR CB C 30 67.567 67.567 68.367 -0.800 17896 3477 1 14 . 1 1 30 30 THR H H 30 8.168 8.168 7.941 0.227 17896 3478 1 14 . 1 1 31 31 ILE N N 31 118.777 118.777 122.654 -3.877 17896 3479 1 14 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.577 0.222 17896 3480 1 14 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.701 -1.772 17896 3481 1 14 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.777 -1.800 17896 3482 1 14 . 1 1 31 31 ILE H H 31 7.159 7.159 7.520 -0.361 17896 3483 1 14 . 1 1 32 32 ASN N N 32 118.007 118.007 118.324 -0.317 17896 3484 1 14 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.334 0.037 17896 3485 1 14 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.660 1.391 17896 3486 1 14 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.566 1.515 17896 3487 1 14 . 1 1 32 32 ASN H H 32 8.692 8.692 7.785 0.907 17896 3488 1 14 . 1 1 33 33 GLY N N 33 124.878 124.878 108.948 15.930 17896 3489 1 14 . 1 1 33 33 GLY H H 33 8.688 8.688 8.179 0.509 17896 3490 1 14 . 1 1 34 34 ILE N N 34 122.256 122.256 121.761 0.495 17896 3491 1 14 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.569 0.743 17896 3492 1 14 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.190 1.264 17896 3493 1 14 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.521 1.665 17896 3494 1 14 . 1 1 34 34 ILE H H 34 8.244 8.244 8.680 -0.436 17896 3495 1 14 . 1 1 35 35 GLU N N 35 120.621 120.621 119.252 1.369 17896 3496 1 14 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.232 0.082 17896 3497 1 14 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.645 1.947 17896 3498 1 14 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.389 0.363 17896 3499 1 14 . 1 1 35 35 GLU H H 35 8.646 8.646 8.535 0.111 17896 3500 1 14 . 1 1 36 36 LYS N N 36 115.927 115.927 119.115 -3.188 17896 3501 1 14 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.233 0.370 17896 3502 1 14 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.067 0.217 17896 3503 1 14 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.202 1.637 17896 3504 1 14 . 1 1 36 36 LYS H H 36 8.125 8.125 7.508 0.617 17896 3505 1 14 . 1 1 37 37 ASN N N 37 114.474 114.474 115.983 -1.509 17896 3506 1 14 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.559 0.175 17896 3507 1 14 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.566 0.868 17896 3508 1 14 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.786 0.018 17896 3509 1 14 . 1 1 37 37 ASN H H 37 8.238 8.238 8.216 0.021 17896 3510 1 14 . 1 1 38 38 LYS N N 38 115.022 115.022 118.938 -3.916 17896 3511 1 14 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.435 0.029 17896 3512 1 14 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.529 -1.915 17896 3513 1 14 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.586 -0.500 17896 3514 1 14 . 1 1 38 38 LYS H H 38 8.761 8.761 8.384 0.377 17896 3515 1 14 . 1 1 39 39 TYR N N 39 117.018 117.018 112.980 4.038 17896 3516 1 14 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.630 0.080 17896 3517 1 14 . 1 1 39 39 TYR CA C 39 56.377 56.377 55.738 0.639 17896 3518 1 14 . 1 1 39 39 TYR H H 39 7.098 7.098 7.640 -0.542 17896 3519 1 14 . 1 1 40 40 ASN N N 40 123.636 123.636 119.890 3.746 17896 3520 1 14 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.794 -0.418 17896 3521 1 14 . 1 1 40 40 ASN H H 40 8.904 8.904 8.554 0.350 17896 3522 1 14 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.556 -0.666 17896 3523 1 14 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.234 0.236 17896 3524 1 14 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.138 0.323 17896 3525 1 14 . 1 1 42 42 SER N N 42 125.765 125.765 117.548 8.217 17896 3526 1 14 . 1 1 42 42 SER HA H 42 4.571 4.571 4.365 0.206 17896 3527 1 14 . 1 1 42 42 SER CA C 42 58.198 58.198 58.850 -0.652 17896 3528 1 14 . 1 1 42 42 SER H H 42 8.107 8.107 8.445 -0.338 17896 3529 1 14 . 1 1 43 43 LEU N N 43 120.617 120.617 126.092 -5.475 17896 3530 1 14 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.912 0.102 17896 3531 1 14 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.920 0.325 17896 3532 1 14 . 1 1 43 43 LEU H H 43 9.322 9.322 8.803 0.519 17896 3533 1 14 . 1 1 44 44 GLN N N 44 115.972 115.972 117.611 -1.639 17896 3534 1 14 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.056 -0.321 17896 3535 1 14 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.723 2.149 17896 3536 1 14 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.311 0.840 17896 3537 1 14 . 1 1 44 44 GLN H H 44 8.952 8.952 8.542 0.410 17896 3538 1 14 . 1 1 45 45 LEU N N 45 119.443 119.443 115.202 4.241 17896 3539 1 14 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.546 -0.886 17896 3540 1 14 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.596 -1.734 17896 3541 1 14 . 1 1 45 45 LEU H H 45 8.129 8.129 7.271 0.858 17896 3542 1 14 . 1 1 46 46 ALA N N 46 120.485 120.485 123.095 -2.610 17896 3543 1 14 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.035 0.025 17896 3544 1 14 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.007 1.478 17896 3545 1 14 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.013 2.728 17896 3546 1 14 . 1 1 46 46 ALA H H 46 8.531 8.531 9.016 -0.485 17896 3547 1 14 . 1 1 47 47 LEU N N 47 116.554 116.554 118.714 -2.160 17896 3548 1 14 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.873 0.339 17896 3549 1 14 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.954 0.447 17896 3550 1 14 . 1 1 47 47 LEU H H 47 8.761 8.761 7.837 0.924 17896 3551 1 14 . 1 1 48 48 LYS N N 48 121.029 121.029 119.889 1.140 17896 3552 1 14 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.033 -0.352 17896 3553 1 14 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.660 1.067 17896 3554 1 14 . 1 1 48 48 LYS H H 48 8.068 8.068 7.639 0.429 17896 3555 1 14 . 1 1 49 49 ILE N N 49 120.454 120.454 120.024 0.430 17896 3556 1 14 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.013 -0.339 17896 3557 1 14 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.343 3.759 17896 3558 1 14 . 1 1 49 49 ILE H H 49 8.822 8.822 7.475 1.347 17896 3559 1 14 . 1 1 50 50 ALA N N 50 120.394 120.394 123.218 -2.824 17896 3560 1 14 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.988 0.125 17896 3561 1 14 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.410 0.886 17896 3562 1 14 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.974 0.958 17896 3563 1 14 . 1 1 50 50 ALA H H 50 8.217 8.217 8.866 -0.649 17896 3564 1 14 . 1 1 51 51 TYR N N 51 117.083 117.083 119.670 -2.587 17896 3565 1 14 . 1 1 51 51 TYR HA H 51 4.371 4.371 3.976 0.395 17896 3566 1 14 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.109 0.187 17896 3567 1 14 . 1 1 51 51 TYR H H 51 8.187 8.187 8.349 -0.162 17896 3568 1 14 . 1 1 52 52 TYR N N 52 118.569 118.569 116.820 1.749 17896 3569 1 14 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.195 0.114 17896 3570 1 14 . 1 1 52 52 TYR CA C 52 63.752 63.752 60.930 2.822 17896 3571 1 14 . 1 1 52 52 TYR H H 52 9.091 9.091 7.492 1.599 17896 3572 1 14 . 1 1 53 53 LEU N N 53 115.465 115.465 118.333 -2.868 17896 3573 1 14 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.254 0.328 17896 3574 1 14 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.490 -0.354 17896 3575 1 14 . 1 1 53 53 LEU H H 53 8.443 8.443 8.421 0.022 17896 3576 1 14 . 1 1 54 54 ASN N N 54 122.105 122.105 114.403 7.702 17896 3577 1 14 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.350 0.100 17896 3578 1 14 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.862 -0.207 17896 3579 1 14 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.286 1.199 17896 3580 1 14 . 1 1 54 54 ASN H H 54 8.099 8.099 7.653 0.446 17896 3581 1 14 . 1 1 55 55 THR N N 55 114.942 114.942 114.882 0.060 17896 3582 1 14 . 1 1 55 55 THR HA H 55 5.014 5.014 4.601 0.413 17896 3583 1 14 . 1 1 55 55 THR CA C 55 60.889 60.889 60.475 0.414 17896 3584 1 14 . 1 1 55 55 THR CB C 55 75.500 75.500 70.968 4.532 17896 3585 1 14 . 1 1 55 55 THR H H 55 8.277 8.277 7.650 0.627 17896 3586 1 14 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.569 0.010 17896 3587 1 14 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.294 0.982 17896 3588 1 14 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.708 -0.473 17896 3589 1 14 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.035 0.136 17896 3590 1 14 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.438 2.184 17896 3591 1 14 . 1 1 58 58 GLU N N 58 123.079 123.079 117.071 6.008 17896 3592 1 14 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.065 0.697 17896 3593 1 14 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.409 0.400 17896 3594 1 14 . 1 1 58 58 GLU H H 58 9.387 9.387 8.865 0.522 17896 3595 1 14 . 1 1 59 59 ASP N N 59 117.677 117.677 120.919 -3.242 17896 3596 1 14 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.362 0.228 17896 3597 1 14 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.684 -0.059 17896 3598 1 14 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.869 0.022 17896 3599 1 14 . 1 1 59 59 ASP H H 59 8.035 8.035 7.987 0.048 17896 3600 1 14 . 1 1 60 60 ILE N N 60 119.506 119.506 115.435 4.071 17896 3601 1 14 . 1 1 60 60 ILE H H 60 8.238 8.238 7.279 0.959 17896 3602 1 14 . 1 1 61 61 PHE N N 61 115.913 115.913 120.196 -4.283 17896 3603 1 14 . 1 1 61 61 PHE H H 61 8.548 8.548 8.475 0.073 17896 3604 1 14 . 1 1 62 62 GLN N N 62 116.558 116.558 115.353 1.205 17896 3605 1 14 . 1 1 62 62 GLN H H 62 8.808 8.808 8.295 0.513 17896 3606 1 14 . 1 1 63 63 TRP N N 63 125.624 125.624 118.778 6.846 17896 3607 1 14 . 1 1 63 63 TRP H H 63 9.515 9.515 6.903 2.612 17896 3608 1 14 . 1 1 64 64 GLN N N 64 127.215 127.215 120.545 6.670 17896 3609 1 14 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.037 3.536 17896 3610 1 14 . 1 1 64 64 GLN H H 64 8.023 8.023 6.103 1.920 17896 3611 1 14 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.477 0.233 17896 3612 1 14 . 1 1 65 65 PRO CA C 65 62.800 62.800 64.469 -1.669 17896 3613 1 15 . 1 1 2 2 ILE N N 2 123.023 123.023 120.064 2.959 17896 3614 1 15 . 1 1 2 2 ILE CB C 2 39.932 39.932 40.477 -0.545 17896 3615 1 15 . 1 1 2 2 ILE H H 2 9.199 9.199 8.168 1.031 17896 3616 1 15 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.532 -0.033 17896 3617 1 15 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.165 1.618 17896 3618 1 15 . 1 1 3 3 ILE CB C 3 39.555 39.555 40.442 -0.887 17896 3619 1 15 . 1 1 4 4 ASN N N 4 124.021 124.021 117.168 6.853 17896 3620 1 15 . 1 1 4 4 ASN CB C 4 40.713 40.713 37.799 2.914 17896 3621 1 15 . 1 1 4 4 ASN H H 4 9.123 9.123 8.940 0.183 17896 3622 1 15 . 1 1 6 6 LEU N N 6 120.649 120.649 126.210 -5.561 17896 3623 1 15 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.174 -0.390 17896 3624 1 15 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.792 2.807 17896 3625 1 15 . 1 1 6 6 LEU H H 6 8.602 8.602 8.884 -0.282 17896 3626 1 15 . 1 1 7 7 LYS N N 7 118.177 118.177 118.337 -0.160 17896 3627 1 15 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.956 -0.024 17896 3628 1 15 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.997 2.309 17896 3629 1 15 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.301 1.133 17896 3630 1 15 . 1 1 7 7 LYS H H 7 8.972 8.972 7.850 1.122 17896 3631 1 15 . 1 1 8 8 LEU N N 8 116.322 116.322 119.626 -3.304 17896 3632 1 15 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.275 -0.085 17896 3633 1 15 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.498 0.792 17896 3634 1 15 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.742 2.017 17896 3635 1 15 . 1 1 8 8 LEU H H 8 7.743 7.743 7.449 0.294 17896 3636 1 15 . 1 1 9 9 ILE N N 9 119.138 119.138 119.767 -0.629 17896 3637 1 15 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.707 0.207 17896 3638 1 15 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.956 -0.098 17896 3639 1 15 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.480 1.204 17896 3640 1 15 . 1 1 9 9 ILE H H 9 8.239 8.239 7.630 0.609 17896 3641 1 15 . 1 1 10 10 ARG N N 10 120.186 120.186 119.444 0.742 17896 3642 1 15 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.930 -0.040 17896 3643 1 15 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.057 1.611 17896 3644 1 15 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.270 -0.876 17896 3645 1 15 . 1 1 10 10 ARG H H 10 9.291 9.291 8.178 1.113 17896 3646 1 15 . 1 1 11 11 GLU N N 11 115.814 115.814 117.907 -2.093 17896 3647 1 15 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.013 0.188 17896 3648 1 15 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.934 1.352 17896 3649 1 15 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.025 0.789 17896 3650 1 15 . 1 1 11 11 GLU H H 11 8.732 8.732 7.859 0.873 17896 3651 1 15 . 1 1 12 12 LYS N N 12 122.969 122.969 119.469 3.500 17896 3652 1 15 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.146 0.077 17896 3653 1 15 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.304 1.913 17896 3654 1 15 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.373 0.525 17896 3655 1 15 . 1 1 12 12 LYS H H 12 8.275 8.275 7.555 0.720 17896 3656 1 15 . 1 1 13 13 LYS N N 13 116.324 116.324 116.314 0.010 17896 3657 1 15 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.316 -0.004 17896 3658 1 15 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.224 -0.293 17896 3659 1 15 . 1 1 13 13 LYS CB C 13 31.753 31.753 33.016 -1.263 17896 3660 1 15 . 1 1 13 13 LYS H H 13 7.800 7.800 7.563 0.237 17896 3661 1 15 . 1 1 14 14 LYS N N 14 115.342 115.342 114.822 0.520 17896 3662 1 15 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.962 0.084 17896 3663 1 15 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.545 1.509 17896 3664 1 15 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.448 -0.400 17896 3665 1 15 . 1 1 14 14 LYS H H 14 8.090 8.090 7.934 0.156 17896 3666 1 15 . 1 1 15 15 ILE N N 15 118.356 118.356 121.083 -2.727 17896 3667 1 15 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.127 0.507 17896 3668 1 15 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.252 0.429 17896 3669 1 15 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.185 3.374 17896 3670 1 15 . 1 1 15 15 ILE H H 15 7.593 7.593 7.556 0.037 17896 3671 1 15 . 1 1 16 16 SER N N 16 125.139 125.139 123.615 1.524 17896 3672 1 15 . 1 1 16 16 SER HA H 16 4.571 4.571 4.591 -0.020 17896 3673 1 15 . 1 1 16 16 SER CA C 16 57.781 57.781 57.817 -0.036 17896 3674 1 15 . 1 1 16 16 SER H H 16 9.500 9.500 8.574 0.926 17896 3675 1 15 . 1 1 17 17 GLN N N 17 120.188 120.188 126.575 -6.387 17896 3676 1 15 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.961 -0.082 17896 3677 1 15 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.258 3.404 17896 3678 1 15 . 1 1 17 17 GLN CB C 17 29.744 29.744 27.659 2.085 17896 3679 1 15 . 1 1 17 17 GLN H H 17 9.575 9.575 9.052 0.523 17896 3680 1 15 . 1 1 18 18 SER N N 18 113.031 113.031 114.999 -1.968 17896 3681 1 15 . 1 1 18 18 SER H H 18 9.031 9.031 8.413 0.618 17896 3682 1 15 . 1 1 19 19 GLU N N 19 124.044 124.044 122.219 1.825 17896 3683 1 15 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.126 0.056 17896 3684 1 15 . 1 1 19 19 GLU CA C 19 59.409 59.409 58.856 0.553 17896 3685 1 15 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.666 0.773 17896 3686 1 15 . 1 1 19 19 GLU H H 19 8.381 8.381 7.979 0.402 17896 3687 1 15 . 1 1 20 20 LEU N N 20 120.001 120.001 118.858 1.143 17896 3688 1 15 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.256 -0.157 17896 3689 1 15 . 1 1 20 20 LEU CA C 20 58.450 58.450 55.239 3.211 17896 3690 1 15 . 1 1 20 20 LEU H H 20 8.340 8.340 7.580 0.760 17896 3691 1 15 . 1 1 21 21 ALA N N 21 119.822 119.822 123.748 -3.926 17896 3692 1 15 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.837 -0.240 17896 3693 1 15 . 1 1 21 21 ALA CA C 21 54.808 54.808 55.250 -0.442 17896 3694 1 15 . 1 1 21 21 ALA CB C 21 17.756 17.756 17.938 -0.182 17896 3695 1 15 . 1 1 21 21 ALA H H 21 8.632 8.632 9.012 -0.380 17896 3696 1 15 . 1 1 22 22 ALA N N 22 117.186 117.186 119.510 -2.324 17896 3697 1 15 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.060 0.222 17896 3698 1 15 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.141 1.391 17896 3699 1 15 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.467 0.086 17896 3700 1 15 . 1 1 22 22 ALA H H 22 7.847 7.847 8.064 -0.217 17896 3701 1 15 . 1 1 23 23 LEU N N 23 118.505 118.505 119.252 -0.747 17896 3702 1 15 . 1 1 23 23 LEU HA H 23 4.051 4.051 4.017 0.034 17896 3703 1 15 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.797 1.330 17896 3704 1 15 . 1 1 23 23 LEU H H 23 7.546 7.546 8.078 -0.532 17896 3705 1 15 . 1 1 24 24 LEU N N 24 114.492 114.492 110.912 3.580 17896 3706 1 15 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.229 0.057 17896 3707 1 15 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.140 0.554 17896 3708 1 15 . 1 1 24 24 LEU H H 24 7.450 7.450 7.247 0.203 17896 3709 1 15 . 1 1 25 25 GLU N N 25 114.844 114.844 114.536 0.308 17896 3710 1 15 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.948 0.098 17896 3711 1 15 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.019 1.214 17896 3712 1 15 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.612 0.281 17896 3713 1 15 . 1 1 25 25 GLU H H 25 8.045 8.045 7.685 0.360 17896 3714 1 15 . 1 1 26 26 VAL N N 26 109.674 109.674 112.455 -2.781 17896 3715 1 15 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.444 0.326 17896 3716 1 15 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.526 -1.183 17896 3717 1 15 . 1 1 26 26 VAL H H 26 8.012 8.012 7.381 0.631 17896 3718 1 15 . 1 1 27 27 SER N N 27 114.352 114.352 117.471 -3.119 17896 3719 1 15 . 1 1 27 27 SER CB C 27 63.110 63.110 63.676 -0.566 17896 3720 1 15 . 1 1 27 27 SER H H 27 8.672 8.672 8.337 0.335 17896 3721 1 15 . 1 1 28 28 ARG N N 28 115.247 115.247 127.940 -12.693 17896 3722 1 15 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.966 -0.207 17896 3723 1 15 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.267 0.491 17896 3724 1 15 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.364 -0.414 17896 3725 1 15 . 1 1 28 28 ARG H H 28 8.263 8.263 8.961 -0.698 17896 3726 1 15 . 1 1 29 29 GLN N N 29 117.283 117.283 117.876 -0.593 17896 3727 1 15 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.069 0.130 17896 3728 1 15 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.166 0.847 17896 3729 1 15 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.513 0.955 17896 3730 1 15 . 1 1 29 29 GLN H H 29 8.866 8.866 8.865 0.001 17896 3731 1 15 . 1 1 30 30 THR N N 30 119.955 119.955 117.496 2.459 17896 3732 1 15 . 1 1 30 30 THR HA H 30 4.454 4.454 4.027 0.427 17896 3733 1 15 . 1 1 30 30 THR CA C 30 68.781 68.781 66.125 2.656 17896 3734 1 15 . 1 1 30 30 THR CB C 30 67.567 67.567 68.453 -0.886 17896 3735 1 15 . 1 1 30 30 THR H H 30 8.168 8.168 7.997 0.171 17896 3736 1 15 . 1 1 31 31 ILE N N 31 118.777 118.777 122.417 -3.640 17896 3737 1 15 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.688 0.111 17896 3738 1 15 . 1 1 31 31 ILE CA C 31 61.929 61.929 64.543 -2.614 17896 3739 1 15 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.093 -1.115 17896 3740 1 15 . 1 1 31 31 ILE H H 31 7.159 7.159 7.862 -0.703 17896 3741 1 15 . 1 1 32 32 ASN N N 32 118.007 118.007 118.817 -0.810 17896 3742 1 15 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.436 -0.065 17896 3743 1 15 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.269 1.783 17896 3744 1 15 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.325 1.756 17896 3745 1 15 . 1 1 32 32 ASN H H 32 8.692 8.692 9.063 -0.371 17896 3746 1 15 . 1 1 33 33 GLY N N 33 124.878 124.878 108.401 16.477 17896 3747 1 15 . 1 1 33 33 GLY H H 33 8.688 8.688 8.213 0.475 17896 3748 1 15 . 1 1 34 34 ILE N N 34 122.256 122.256 122.235 0.021 17896 3749 1 15 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.821 0.491 17896 3750 1 15 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.806 1.648 17896 3751 1 15 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.233 0.952 17896 3752 1 15 . 1 1 34 34 ILE H H 34 8.244 8.244 8.584 -0.340 17896 3753 1 15 . 1 1 35 35 GLU N N 35 120.621 120.621 119.929 0.692 17896 3754 1 15 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.450 -0.136 17896 3755 1 15 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.941 1.651 17896 3756 1 15 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.449 0.303 17896 3757 1 15 . 1 1 35 35 GLU H H 35 8.646 8.646 8.804 -0.158 17896 3758 1 15 . 1 1 36 36 LYS N N 36 115.927 115.927 118.941 -3.014 17896 3759 1 15 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.192 0.411 17896 3760 1 15 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.598 -0.314 17896 3761 1 15 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.092 1.747 17896 3762 1 15 . 1 1 36 36 LYS H H 36 8.125 8.125 7.719 0.406 17896 3763 1 15 . 1 1 37 37 ASN N N 37 114.474 114.474 116.306 -1.832 17896 3764 1 15 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.536 0.198 17896 3765 1 15 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.681 0.753 17896 3766 1 15 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.459 0.345 17896 3767 1 15 . 1 1 37 37 ASN H H 37 8.238 8.238 8.592 -0.354 17896 3768 1 15 . 1 1 38 38 LYS N N 38 115.022 115.022 117.462 -2.440 17896 3769 1 15 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.137 0.327 17896 3770 1 15 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.306 -1.692 17896 3771 1 15 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.119 -0.033 17896 3772 1 15 . 1 1 38 38 LYS H H 38 8.761 8.761 8.384 0.377 17896 3773 1 15 . 1 1 39 39 TYR N N 39 117.018 117.018 116.114 0.904 17896 3774 1 15 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.738 -0.028 17896 3775 1 15 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.314 0.063 17896 3776 1 15 . 1 1 39 39 TYR H H 39 7.098 7.098 8.035 -0.937 17896 3777 1 15 . 1 1 40 40 ASN N N 40 123.636 123.636 117.214 6.422 17896 3778 1 15 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.381 -0.005 17896 3779 1 15 . 1 1 40 40 ASN H H 40 8.904 8.904 8.569 0.335 17896 3780 1 15 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.441 -0.551 17896 3781 1 15 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.170 0.300 17896 3782 1 15 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.100 0.361 17896 3783 1 15 . 1 1 42 42 SER N N 42 125.765 125.765 117.994 7.771 17896 3784 1 15 . 1 1 42 42 SER HA H 42 4.571 4.571 4.314 0.257 17896 3785 1 15 . 1 1 42 42 SER CA C 42 58.198 58.198 58.338 -0.140 17896 3786 1 15 . 1 1 42 42 SER H H 42 8.107 8.107 8.207 -0.100 17896 3787 1 15 . 1 1 43 43 LEU N N 43 120.617 120.617 124.770 -4.153 17896 3788 1 15 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.998 0.016 17896 3789 1 15 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.494 0.751 17896 3790 1 15 . 1 1 43 43 LEU H H 43 9.322 9.322 8.871 0.451 17896 3791 1 15 . 1 1 44 44 GLN N N 44 115.972 115.972 118.099 -2.127 17896 3792 1 15 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.086 -0.351 17896 3793 1 15 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.297 1.575 17896 3794 1 15 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.890 1.260 17896 3795 1 15 . 1 1 44 44 GLN H H 44 8.952 8.952 8.590 0.362 17896 3796 1 15 . 1 1 45 45 LEU N N 45 119.443 119.443 116.488 2.955 17896 3797 1 15 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.236 -0.576 17896 3798 1 15 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.972 -2.110 17896 3799 1 15 . 1 1 45 45 LEU H H 45 8.129 8.129 7.363 0.766 17896 3800 1 15 . 1 1 46 46 ALA N N 46 120.485 120.485 123.123 -2.638 17896 3801 1 15 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.052 0.008 17896 3802 1 15 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.111 1.374 17896 3803 1 15 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.907 2.834 17896 3804 1 15 . 1 1 46 46 ALA H H 46 8.531 8.531 8.832 -0.301 17896 3805 1 15 . 1 1 47 47 LEU N N 47 116.554 116.554 118.200 -1.646 17896 3806 1 15 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.959 0.253 17896 3807 1 15 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.073 0.328 17896 3808 1 15 . 1 1 47 47 LEU H H 47 8.761 8.761 8.076 0.685 17896 3809 1 15 . 1 1 48 48 LYS N N 48 121.029 121.029 118.992 2.037 17896 3810 1 15 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.105 -0.424 17896 3811 1 15 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.435 1.292 17896 3812 1 15 . 1 1 48 48 LYS H H 48 8.068 8.068 7.794 0.274 17896 3813 1 15 . 1 1 49 49 ILE N N 49 120.454 120.454 120.279 0.175 17896 3814 1 15 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.902 -0.228 17896 3815 1 15 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.064 4.038 17896 3816 1 15 . 1 1 49 49 ILE H H 49 8.822 8.822 8.126 0.696 17896 3817 1 15 . 1 1 50 50 ALA N N 50 120.394 120.394 123.072 -2.678 17896 3818 1 15 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.012 0.101 17896 3819 1 15 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.532 0.764 17896 3820 1 15 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.052 0.880 17896 3821 1 15 . 1 1 50 50 ALA H H 50 8.217 8.217 9.040 -0.823 17896 3822 1 15 . 1 1 51 51 TYR N N 51 117.083 117.083 117.766 -0.683 17896 3823 1 15 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.083 0.288 17896 3824 1 15 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.147 0.149 17896 3825 1 15 . 1 1 51 51 TYR H H 51 8.187 8.187 7.879 0.308 17896 3826 1 15 . 1 1 52 52 TYR N N 52 118.569 118.569 117.803 0.766 17896 3827 1 15 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.348 -0.039 17896 3828 1 15 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.615 2.137 17896 3829 1 15 . 1 1 52 52 TYR H H 52 9.091 9.091 7.659 1.432 17896 3830 1 15 . 1 1 53 53 LEU N N 53 115.465 115.465 117.299 -1.834 17896 3831 1 15 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.300 0.282 17896 3832 1 15 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.332 -0.196 17896 3833 1 15 . 1 1 53 53 LEU H H 53 8.443 8.443 8.089 0.354 17896 3834 1 15 . 1 1 54 54 ASN N N 54 122.105 122.105 114.648 7.457 17896 3835 1 15 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.400 0.050 17896 3836 1 15 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.746 -0.091 17896 3837 1 15 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.575 0.910 17896 3838 1 15 . 1 1 54 54 ASN H H 54 8.099 8.099 7.740 0.359 17896 3839 1 15 . 1 1 55 55 THR N N 55 114.942 114.942 114.753 0.189 17896 3840 1 15 . 1 1 55 55 THR HA H 55 5.014 5.014 4.588 0.426 17896 3841 1 15 . 1 1 55 55 THR CA C 55 60.889 60.889 60.256 0.633 17896 3842 1 15 . 1 1 55 55 THR CB C 55 75.500 75.500 71.577 3.923 17896 3843 1 15 . 1 1 55 55 THR H H 55 8.277 8.277 7.827 0.450 17896 3844 1 15 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.421 0.158 17896 3845 1 15 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.169 1.107 17896 3846 1 15 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.393 -0.158 17896 3847 1 15 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.053 0.118 17896 3848 1 15 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.907 1.715 17896 3849 1 15 . 1 1 58 58 GLU N N 58 123.079 123.079 117.932 5.147 17896 3850 1 15 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.186 0.577 17896 3851 1 15 . 1 1 58 58 GLU CA C 58 59.809 59.809 60.120 -0.311 17896 3852 1 15 . 1 1 58 58 GLU H H 58 9.387 9.387 8.844 0.543 17896 3853 1 15 . 1 1 59 59 ASP N N 59 117.677 117.677 119.080 -1.403 17896 3854 1 15 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.489 0.101 17896 3855 1 15 . 1 1 59 59 ASP CA C 59 56.625 56.625 57.139 -0.514 17896 3856 1 15 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.984 -0.093 17896 3857 1 15 . 1 1 59 59 ASP H H 59 8.035 8.035 7.939 0.096 17896 3858 1 15 . 1 1 60 60 ILE N N 60 119.506 119.506 115.183 4.323 17896 3859 1 15 . 1 1 60 60 ILE H H 60 8.238 8.238 7.129 1.109 17896 3860 1 15 . 1 1 61 61 PHE N N 61 115.913 115.913 121.095 -5.182 17896 3861 1 15 . 1 1 61 61 PHE H H 61 8.548 8.548 8.673 -0.125 17896 3862 1 15 . 1 1 62 62 GLN N N 62 116.558 116.558 119.556 -2.998 17896 3863 1 15 . 1 1 62 62 GLN H H 62 8.808 8.808 8.204 0.604 17896 3864 1 15 . 1 1 63 63 TRP N N 63 125.624 125.624 123.129 2.495 17896 3865 1 15 . 1 1 63 63 TRP H H 63 9.515 9.515 7.915 1.600 17896 3866 1 15 . 1 1 64 64 GLN N N 64 127.215 127.215 120.378 6.837 17896 3867 1 15 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.043 3.530 17896 3868 1 15 . 1 1 64 64 GLN H H 64 8.023 8.023 8.450 -0.427 17896 3869 1 15 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.367 0.343 17896 3870 1 15 . 1 1 65 65 PRO CA C 65 62.800 62.800 64.086 -1.286 17896 3871 1 16 . 1 1 2 2 ILE N N 2 123.023 123.023 123.182 -0.159 17896 3872 1 16 . 1 1 2 2 ILE CB C 2 39.932 39.932 36.632 3.300 17896 3873 1 16 . 1 1 2 2 ILE H H 2 9.199 9.199 8.166 1.033 17896 3874 1 16 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.805 0.694 17896 3875 1 16 . 1 1 3 3 ILE CA C 3 60.783 60.783 62.026 -1.243 17896 3876 1 16 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.501 2.054 17896 3877 1 16 . 1 1 4 4 ASN N N 4 124.021 124.021 120.720 3.301 17896 3878 1 16 . 1 1 4 4 ASN CB C 4 40.713 40.713 41.255 -0.542 17896 3879 1 16 . 1 1 4 4 ASN H H 4 9.123 9.123 8.750 0.373 17896 3880 1 16 . 1 1 6 6 LEU N N 6 120.649 120.649 122.870 -2.221 17896 3881 1 16 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.176 -0.392 17896 3882 1 16 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.906 2.693 17896 3883 1 16 . 1 1 6 6 LEU H H 6 8.602 8.602 8.443 0.159 17896 3884 1 16 . 1 1 7 7 LYS N N 7 118.177 118.177 118.665 -0.488 17896 3885 1 16 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.919 0.013 17896 3886 1 16 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.220 2.086 17896 3887 1 16 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.201 1.233 17896 3888 1 16 . 1 1 7 7 LYS H H 7 8.972 8.972 7.821 1.151 17896 3889 1 16 . 1 1 8 8 LEU N N 8 116.322 116.322 120.988 -4.666 17896 3890 1 16 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.355 -0.165 17896 3891 1 16 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.883 0.407 17896 3892 1 16 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.224 1.534 17896 3893 1 16 . 1 1 8 8 LEU H H 8 7.743 7.743 7.683 0.060 17896 3894 1 16 . 1 1 9 9 ILE N N 9 119.138 119.138 118.646 0.492 17896 3895 1 16 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.691 0.223 17896 3896 1 16 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.571 0.287 17896 3897 1 16 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.563 1.121 17896 3898 1 16 . 1 1 9 9 ILE H H 9 8.239 8.239 8.572 -0.333 17896 3899 1 16 . 1 1 10 10 ARG N N 10 120.186 120.186 120.551 -0.365 17896 3900 1 16 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.953 -0.063 17896 3901 1 16 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.430 2.238 17896 3902 1 16 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.270 -0.876 17896 3903 1 16 . 1 1 10 10 ARG H H 10 9.291 9.291 8.374 0.917 17896 3904 1 16 . 1 1 11 11 GLU N N 11 115.814 115.814 117.705 -1.891 17896 3905 1 16 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.020 0.181 17896 3906 1 16 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.954 1.332 17896 3907 1 16 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.160 0.654 17896 3908 1 16 . 1 1 11 11 GLU H H 11 8.732 8.732 8.319 0.413 17896 3909 1 16 . 1 1 12 12 LYS N N 12 122.969 122.969 118.550 4.419 17896 3910 1 16 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.133 0.090 17896 3911 1 16 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.332 1.885 17896 3912 1 16 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.238 0.660 17896 3913 1 16 . 1 1 12 12 LYS H H 12 8.275 8.275 7.697 0.578 17896 3914 1 16 . 1 1 13 13 LYS N N 13 116.324 116.324 115.946 0.378 17896 3915 1 16 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.273 0.039 17896 3916 1 16 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.298 -0.367 17896 3917 1 16 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.666 -0.913 17896 3918 1 16 . 1 1 13 13 LYS H H 13 7.800 7.800 7.647 0.153 17896 3919 1 16 . 1 1 14 14 LYS N N 14 115.342 115.342 114.613 0.729 17896 3920 1 16 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.956 0.089 17896 3921 1 16 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.645 1.409 17896 3922 1 16 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.419 -0.371 17896 3923 1 16 . 1 1 14 14 LYS H H 14 8.090 8.090 7.600 0.490 17896 3924 1 16 . 1 1 15 15 ILE N N 15 118.356 118.356 120.414 -2.058 17896 3925 1 16 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.167 0.467 17896 3926 1 16 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.372 0.308 17896 3927 1 16 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.572 2.987 17896 3928 1 16 . 1 1 15 15 ILE H H 15 7.593 7.593 7.424 0.169 17896 3929 1 16 . 1 1 16 16 SER N N 16 125.139 125.139 123.505 1.634 17896 3930 1 16 . 1 1 16 16 SER HA H 16 4.571 4.571 4.650 -0.079 17896 3931 1 16 . 1 1 16 16 SER CA C 16 57.781 57.781 58.395 -0.614 17896 3932 1 16 . 1 1 16 16 SER H H 16 9.500 9.500 9.635 -0.135 17896 3933 1 16 . 1 1 17 17 GLN N N 17 120.188 120.188 120.788 -0.600 17896 3934 1 16 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.063 -0.184 17896 3935 1 16 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.211 3.451 17896 3936 1 16 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.512 1.232 17896 3937 1 16 . 1 1 17 17 GLN H H 17 9.575 9.575 9.004 0.571 17896 3938 1 16 . 1 1 18 18 SER N N 18 113.031 113.031 116.182 -3.151 17896 3939 1 16 . 1 1 18 18 SER H H 18 9.031 9.031 7.961 1.070 17896 3940 1 16 . 1 1 19 19 GLU N N 19 124.044 124.044 120.810 3.234 17896 3941 1 16 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.146 0.036 17896 3942 1 16 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.307 0.102 17896 3943 1 16 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.772 0.667 17896 3944 1 16 . 1 1 19 19 GLU H H 19 8.381 8.381 7.665 0.716 17896 3945 1 16 . 1 1 20 20 LEU N N 20 120.001 120.001 116.019 3.982 17896 3946 1 16 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.498 -0.399 17896 3947 1 16 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.078 1.372 17896 3948 1 16 . 1 1 20 20 LEU H H 20 8.340 8.340 7.279 1.061 17896 3949 1 16 . 1 1 21 21 ALA N N 21 119.822 119.822 121.341 -1.519 17896 3950 1 16 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.911 -0.315 17896 3951 1 16 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.747 0.061 17896 3952 1 16 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.353 -0.597 17896 3953 1 16 . 1 1 21 21 ALA H H 21 8.632 8.632 8.412 0.220 17896 3954 1 16 . 1 1 22 22 ALA N N 22 117.186 117.186 119.786 -2.600 17896 3955 1 16 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.061 0.221 17896 3956 1 16 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.208 1.324 17896 3957 1 16 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.420 0.133 17896 3958 1 16 . 1 1 22 22 ALA H H 22 7.847 7.847 8.022 -0.175 17896 3959 1 16 . 1 1 23 23 LEU N N 23 118.505 118.505 117.872 0.633 17896 3960 1 16 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.929 0.122 17896 3961 1 16 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.945 1.182 17896 3962 1 16 . 1 1 23 23 LEU H H 23 7.546 7.546 7.490 0.056 17896 3963 1 16 . 1 1 24 24 LEU N N 24 114.492 114.492 112.311 2.181 17896 3964 1 16 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.305 -0.019 17896 3965 1 16 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.726 0.968 17896 3966 1 16 . 1 1 24 24 LEU H H 24 7.450 7.450 7.475 -0.025 17896 3967 1 16 . 1 1 25 25 GLU N N 25 114.844 114.844 114.498 0.346 17896 3968 1 16 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.867 0.179 17896 3969 1 16 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.514 0.719 17896 3970 1 16 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.858 0.035 17896 3971 1 16 . 1 1 25 25 GLU H H 25 8.045 8.045 7.992 0.053 17896 3972 1 16 . 1 1 26 26 VAL N N 26 109.674 109.674 112.385 -2.711 17896 3973 1 16 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.428 0.342 17896 3974 1 16 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.662 -1.319 17896 3975 1 16 . 1 1 26 26 VAL H H 26 8.012 8.012 7.395 0.617 17896 3976 1 16 . 1 1 27 27 SER N N 27 114.352 114.352 117.497 -3.145 17896 3977 1 16 . 1 1 27 27 SER CB C 27 63.110 63.110 63.595 -0.485 17896 3978 1 16 . 1 1 27 27 SER H H 27 8.672 8.672 8.363 0.309 17896 3979 1 16 . 1 1 28 28 ARG N N 28 115.247 115.247 127.382 -12.135 17896 3980 1 16 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.954 -0.195 17896 3981 1 16 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.782 0.975 17896 3982 1 16 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.425 -0.475 17896 3983 1 16 . 1 1 28 28 ARG H H 28 8.263 8.263 8.816 -0.553 17896 3984 1 16 . 1 1 29 29 GLN N N 29 117.283 117.283 116.892 0.391 17896 3985 1 16 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.089 0.110 17896 3986 1 16 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.153 0.860 17896 3987 1 16 . 1 1 29 29 GLN CB C 29 28.468 28.468 28.058 0.410 17896 3988 1 16 . 1 1 29 29 GLN H H 29 8.866 8.866 8.701 0.165 17896 3989 1 16 . 1 1 30 30 THR N N 30 119.955 119.955 113.346 6.609 17896 3990 1 16 . 1 1 30 30 THR HA H 30 4.454 4.454 4.093 0.361 17896 3991 1 16 . 1 1 30 30 THR CA C 30 68.781 68.781 65.118 3.663 17896 3992 1 16 . 1 1 30 30 THR CB C 30 67.567 67.567 68.084 -0.517 17896 3993 1 16 . 1 1 30 30 THR H H 30 8.168 8.168 8.096 0.072 17896 3994 1 16 . 1 1 31 31 ILE N N 31 118.777 118.777 123.094 -4.317 17896 3995 1 16 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.647 0.152 17896 3996 1 16 . 1 1 31 31 ILE CA C 31 61.929 61.929 62.998 -1.069 17896 3997 1 16 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.066 -1.089 17896 3998 1 16 . 1 1 31 31 ILE H H 31 7.159 7.159 7.550 -0.391 17896 3999 1 16 . 1 1 32 32 ASN N N 32 118.007 118.007 118.759 -0.752 17896 4000 1 16 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.331 0.040 17896 4001 1 16 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.605 1.447 17896 4002 1 16 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.092 1.989 17896 4003 1 16 . 1 1 32 32 ASN H H 32 8.692 8.692 7.850 0.842 17896 4004 1 16 . 1 1 33 33 GLY N N 33 124.878 124.878 108.699 16.179 17896 4005 1 16 . 1 1 33 33 GLY H H 33 8.688 8.688 7.368 1.320 17896 4006 1 16 . 1 1 34 34 ILE N N 34 122.256 122.256 121.549 0.707 17896 4007 1 16 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.757 0.555 17896 4008 1 16 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.419 2.035 17896 4009 1 16 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.773 1.413 17896 4010 1 16 . 1 1 34 34 ILE H H 34 8.244 8.244 8.375 -0.131 17896 4011 1 16 . 1 1 35 35 GLU N N 35 120.621 120.621 119.659 0.962 17896 4012 1 16 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.140 0.174 17896 4013 1 16 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.460 2.132 17896 4014 1 16 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.435 0.317 17896 4015 1 16 . 1 1 35 35 GLU H H 35 8.646 8.646 8.685 -0.039 17896 4016 1 16 . 1 1 36 36 LYS N N 36 115.927 115.927 118.546 -2.619 17896 4017 1 16 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.235 0.368 17896 4018 1 16 . 1 1 36 36 LYS CA C 36 56.284 56.284 55.964 0.320 17896 4019 1 16 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.416 1.423 17896 4020 1 16 . 1 1 36 36 LYS H H 36 8.125 8.125 7.539 0.586 17896 4021 1 16 . 1 1 37 37 ASN N N 37 114.474 114.474 116.010 -1.536 17896 4022 1 16 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.568 0.166 17896 4023 1 16 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.533 0.901 17896 4024 1 16 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.813 -0.009 17896 4025 1 16 . 1 1 37 37 ASN H H 37 8.238 8.238 8.205 0.033 17896 4026 1 16 . 1 1 38 38 LYS N N 38 115.022 115.022 119.069 -4.047 17896 4027 1 16 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.438 0.026 17896 4028 1 16 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.950 -2.336 17896 4029 1 16 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.920 -0.834 17896 4030 1 16 . 1 1 38 38 LYS H H 38 8.761 8.761 8.442 0.319 17896 4031 1 16 . 1 1 39 39 TYR N N 39 117.018 117.018 113.690 3.328 17896 4032 1 16 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.673 0.037 17896 4033 1 16 . 1 1 39 39 TYR CA C 39 56.377 56.377 55.652 0.725 17896 4034 1 16 . 1 1 39 39 TYR H H 39 7.098 7.098 7.506 -0.408 17896 4035 1 16 . 1 1 40 40 ASN N N 40 123.636 123.636 119.199 4.437 17896 4036 1 16 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.613 -0.237 17896 4037 1 16 . 1 1 40 40 ASN H H 40 8.904 8.904 8.600 0.304 17896 4038 1 16 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.534 -0.644 17896 4039 1 16 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.188 0.283 17896 4040 1 16 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.481 -0.020 17896 4041 1 16 . 1 1 42 42 SER N N 42 125.765 125.765 118.210 7.555 17896 4042 1 16 . 1 1 42 42 SER HA H 42 4.571 4.571 4.404 0.167 17896 4043 1 16 . 1 1 42 42 SER CA C 42 58.198 58.198 57.657 0.541 17896 4044 1 16 . 1 1 42 42 SER H H 42 8.107 8.107 8.182 -0.075 17896 4045 1 16 . 1 1 43 43 LEU N N 43 120.617 120.617 122.796 -2.179 17896 4046 1 16 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.010 0.004 17896 4047 1 16 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.501 0.744 17896 4048 1 16 . 1 1 43 43 LEU H H 43 9.322 9.322 8.673 0.649 17896 4049 1 16 . 1 1 44 44 GLN N N 44 115.972 115.972 118.567 -2.595 17896 4050 1 16 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.112 -0.377 17896 4051 1 16 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.640 2.232 17896 4052 1 16 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.561 1.589 17896 4053 1 16 . 1 1 44 44 GLN H H 44 8.952 8.952 8.702 0.250 17896 4054 1 16 . 1 1 45 45 LEU N N 45 119.443 119.443 116.232 3.211 17896 4055 1 16 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.522 -0.862 17896 4056 1 16 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.159 -1.297 17896 4057 1 16 . 1 1 45 45 LEU H H 45 8.129 8.129 7.654 0.475 17896 4058 1 16 . 1 1 46 46 ALA N N 46 120.485 120.485 123.182 -2.697 17896 4059 1 16 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.018 0.042 17896 4060 1 16 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.980 1.505 17896 4061 1 16 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.913 2.828 17896 4062 1 16 . 1 1 46 46 ALA H H 46 8.531 8.531 8.701 -0.170 17896 4063 1 16 . 1 1 47 47 LEU N N 47 116.554 116.554 118.556 -2.002 17896 4064 1 16 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.903 0.309 17896 4065 1 16 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.909 -0.508 17896 4066 1 16 . 1 1 47 47 LEU H H 47 8.761 8.761 7.899 0.862 17896 4067 1 16 . 1 1 48 48 LYS N N 48 121.029 121.029 118.844 2.185 17896 4068 1 16 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.121 -0.440 17896 4069 1 16 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.795 0.932 17896 4070 1 16 . 1 1 48 48 LYS H H 48 8.068 8.068 7.810 0.258 17896 4071 1 16 . 1 1 49 49 ILE N N 49 120.454 120.454 120.237 0.217 17896 4072 1 16 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.924 -0.250 17896 4073 1 16 . 1 1 49 49 ILE CA C 49 68.102 68.102 63.750 4.352 17896 4074 1 16 . 1 1 49 49 ILE H H 49 8.822 8.822 7.479 1.343 17896 4075 1 16 . 1 1 50 50 ALA N N 50 120.394 120.394 123.389 -2.995 17896 4076 1 16 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.893 0.220 17896 4077 1 16 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.457 0.839 17896 4078 1 16 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.791 1.141 17896 4079 1 16 . 1 1 50 50 ALA H H 50 8.217 8.217 8.872 -0.655 17896 4080 1 16 . 1 1 51 51 TYR N N 51 117.083 117.083 117.084 -0.001 17896 4081 1 16 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.165 0.206 17896 4082 1 16 . 1 1 51 51 TYR CA C 51 62.296 62.296 61.862 0.434 17896 4083 1 16 . 1 1 51 51 TYR H H 51 8.187 8.187 7.681 0.506 17896 4084 1 16 . 1 1 52 52 TYR N N 52 118.569 118.569 117.957 0.612 17896 4085 1 16 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.338 -0.029 17896 4086 1 16 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.432 2.320 17896 4087 1 16 . 1 1 52 52 TYR H H 52 9.091 9.091 7.859 1.232 17896 4088 1 16 . 1 1 53 53 LEU N N 53 115.465 115.465 118.232 -2.767 17896 4089 1 16 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.189 0.393 17896 4090 1 16 . 1 1 53 53 LEU CA C 53 55.136 55.136 56.222 -1.086 17896 4091 1 16 . 1 1 53 53 LEU H H 53 8.443 8.443 8.408 0.035 17896 4092 1 16 . 1 1 54 54 ASN N N 54 122.105 122.105 114.114 7.991 17896 4093 1 16 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.488 -0.038 17896 4094 1 16 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.735 -0.080 17896 4095 1 16 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.182 1.303 17896 4096 1 16 . 1 1 54 54 ASN H H 54 8.099 8.099 7.834 0.265 17896 4097 1 16 . 1 1 55 55 THR N N 55 114.942 114.942 114.957 -0.015 17896 4098 1 16 . 1 1 55 55 THR HA H 55 5.014 5.014 4.715 0.299 17896 4099 1 16 . 1 1 55 55 THR CA C 55 60.889 60.889 59.859 1.030 17896 4100 1 16 . 1 1 55 55 THR CB C 55 75.500 75.500 71.666 3.834 17896 4101 1 16 . 1 1 55 55 THR H H 55 8.277 8.277 8.097 0.180 17896 4102 1 16 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.432 0.147 17896 4103 1 16 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.103 1.173 17896 4104 1 16 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.377 -0.142 17896 4105 1 16 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.902 0.269 17896 4106 1 16 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.057 2.565 17896 4107 1 16 . 1 1 58 58 GLU N N 58 123.079 123.079 116.796 6.283 17896 4108 1 16 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.163 0.599 17896 4109 1 16 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.611 0.197 17896 4110 1 16 . 1 1 58 58 GLU H H 58 9.387 9.387 8.555 0.832 17896 4111 1 16 . 1 1 59 59 ASP N N 59 117.677 117.677 119.354 -1.677 17896 4112 1 16 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.495 0.095 17896 4113 1 16 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.744 -0.119 17896 4114 1 16 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.852 0.039 17896 4115 1 16 . 1 1 59 59 ASP H H 59 8.035 8.035 8.125 -0.090 17896 4116 1 16 . 1 1 60 60 ILE N N 60 119.506 119.506 114.468 5.038 17896 4117 1 16 . 1 1 60 60 ILE H H 60 8.238 8.238 7.237 1.001 17896 4118 1 16 . 1 1 61 61 PHE N N 61 115.913 115.913 120.361 -4.448 17896 4119 1 16 . 1 1 61 61 PHE H H 61 8.548 8.548 8.594 -0.046 17896 4120 1 16 . 1 1 62 62 GLN N N 62 116.558 116.558 116.413 0.145 17896 4121 1 16 . 1 1 62 62 GLN H H 62 8.808 8.808 8.939 -0.131 17896 4122 1 16 . 1 1 63 63 TRP N N 63 125.624 125.624 118.684 6.940 17896 4123 1 16 . 1 1 63 63 TRP H H 63 9.515 9.515 7.795 1.720 17896 4124 1 16 . 1 1 64 64 GLN N N 64 127.215 127.215 119.191 8.024 17896 4125 1 16 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.439 4.134 17896 4126 1 16 . 1 1 64 64 GLN H H 64 8.023 8.023 8.203 -0.180 17896 4127 1 16 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.779 -0.069 17896 4128 1 16 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.273 -0.473 17896 4129 1 17 . 1 1 2 2 ILE N N 2 123.023 123.023 126.636 -3.613 17896 4130 1 17 . 1 1 2 2 ILE CB C 2 39.932 39.932 35.736 4.196 17896 4131 1 17 . 1 1 2 2 ILE H H 2 9.199 9.199 9.073 0.126 17896 4132 1 17 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.629 0.870 17896 4133 1 17 . 1 1 3 3 ILE CA C 3 60.783 60.783 64.408 -3.625 17896 4134 1 17 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.213 3.342 17896 4135 1 17 . 1 1 4 4 ASN N N 4 124.021 124.021 115.565 8.456 17896 4136 1 17 . 1 1 4 4 ASN CB C 4 40.713 40.713 41.371 -0.658 17896 4137 1 17 . 1 1 4 4 ASN H H 4 9.123 9.123 8.562 0.561 17896 4138 1 17 . 1 1 6 6 LEU N N 6 120.649 120.649 123.016 -2.367 17896 4139 1 17 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.159 -0.375 17896 4140 1 17 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.389 2.210 17896 4141 1 17 . 1 1 6 6 LEU H H 6 8.602 8.602 9.111 -0.509 17896 4142 1 17 . 1 1 7 7 LYS N N 7 118.177 118.177 117.932 0.245 17896 4143 1 17 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.119 -0.187 17896 4144 1 17 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.044 2.262 17896 4145 1 17 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.766 0.668 17896 4146 1 17 . 1 1 7 7 LYS H H 7 8.972 8.972 9.352 -0.380 17896 4147 1 17 . 1 1 8 8 LEU N N 8 116.322 116.322 121.770 -5.448 17896 4148 1 17 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.287 -0.097 17896 4149 1 17 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.075 0.215 17896 4150 1 17 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.207 1.552 17896 4151 1 17 . 1 1 8 8 LEU H H 8 7.743 7.743 7.686 0.057 17896 4152 1 17 . 1 1 9 9 ILE N N 9 119.138 119.138 119.420 -0.282 17896 4153 1 17 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.762 0.152 17896 4154 1 17 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.826 0.032 17896 4155 1 17 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.409 1.275 17896 4156 1 17 . 1 1 9 9 ILE H H 9 8.239 8.239 9.038 -0.799 17896 4157 1 17 . 1 1 10 10 ARG N N 10 120.186 120.186 121.015 -0.829 17896 4158 1 17 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.930 -0.040 17896 4159 1 17 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.815 1.853 17896 4160 1 17 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.344 -0.950 17896 4161 1 17 . 1 1 10 10 ARG H H 10 9.291 9.291 8.236 1.055 17896 4162 1 17 . 1 1 11 11 GLU N N 11 115.814 115.814 117.904 -2.090 17896 4163 1 17 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.120 0.081 17896 4164 1 17 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.922 1.364 17896 4165 1 17 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.056 0.757 17896 4166 1 17 . 1 1 11 11 GLU H H 11 8.732 8.732 8.662 0.070 17896 4167 1 17 . 1 1 12 12 LYS N N 12 122.969 122.969 119.814 3.155 17896 4168 1 17 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.135 0.088 17896 4169 1 17 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.642 1.575 17896 4170 1 17 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.347 0.551 17896 4171 1 17 . 1 1 12 12 LYS H H 12 8.275 8.275 7.623 0.652 17896 4172 1 17 . 1 1 13 13 LYS N N 13 116.324 116.324 115.881 0.443 17896 4173 1 17 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.333 -0.021 17896 4174 1 17 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.223 -0.292 17896 4175 1 17 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.366 -0.613 17896 4176 1 17 . 1 1 13 13 LYS H H 13 7.800 7.800 7.547 0.253 17896 4177 1 17 . 1 1 14 14 LYS N N 14 115.342 115.342 114.846 0.496 17896 4178 1 17 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.910 0.135 17896 4179 1 17 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.763 1.291 17896 4180 1 17 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.207 -0.159 17896 4181 1 17 . 1 1 14 14 LYS H H 14 8.090 8.090 7.458 0.632 17896 4182 1 17 . 1 1 15 15 ILE N N 15 118.356 118.356 120.457 -2.101 17896 4183 1 17 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.069 0.565 17896 4184 1 17 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.798 -0.118 17896 4185 1 17 . 1 1 15 15 ILE CB C 15 41.559 41.559 39.108 2.451 17896 4186 1 17 . 1 1 15 15 ILE H H 15 7.593 7.593 7.429 0.164 17896 4187 1 17 . 1 1 16 16 SER N N 16 125.139 125.139 123.054 2.085 17896 4188 1 17 . 1 1 16 16 SER HA H 16 4.571 4.571 4.517 0.054 17896 4189 1 17 . 1 1 16 16 SER CA C 16 57.781 57.781 57.974 -0.193 17896 4190 1 17 . 1 1 16 16 SER H H 16 9.500 9.500 8.896 0.604 17896 4191 1 17 . 1 1 17 17 GLN N N 17 120.188 120.188 124.908 -4.720 17896 4192 1 17 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.965 -0.086 17896 4193 1 17 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.140 3.522 17896 4194 1 17 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.058 1.685 17896 4195 1 17 . 1 1 17 17 GLN H H 17 9.575 9.575 8.997 0.578 17896 4196 1 17 . 1 1 18 18 SER N N 18 113.031 113.031 115.474 -2.443 17896 4197 1 17 . 1 1 18 18 SER H H 18 9.031 9.031 8.534 0.497 17896 4198 1 17 . 1 1 19 19 GLU N N 19 124.044 124.044 120.390 3.654 17896 4199 1 17 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.097 0.085 17896 4200 1 17 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.378 0.031 17896 4201 1 17 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.635 0.804 17896 4202 1 17 . 1 1 19 19 GLU H H 19 8.381 8.381 7.982 0.399 17896 4203 1 17 . 1 1 20 20 LEU N N 20 120.001 120.001 115.838 4.163 17896 4204 1 17 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.389 -0.290 17896 4205 1 17 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.014 1.436 17896 4206 1 17 . 1 1 20 20 LEU H H 20 8.340 8.340 7.286 1.054 17896 4207 1 17 . 1 1 21 21 ALA N N 21 119.822 119.822 121.316 -1.494 17896 4208 1 17 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.998 -0.402 17896 4209 1 17 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.853 -0.045 17896 4210 1 17 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.141 -0.385 17896 4211 1 17 . 1 1 21 21 ALA H H 21 8.632 8.632 8.864 -0.232 17896 4212 1 17 . 1 1 22 22 ALA N N 22 117.186 117.186 119.882 -2.696 17896 4213 1 17 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.078 0.204 17896 4214 1 17 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.297 1.235 17896 4215 1 17 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.461 0.092 17896 4216 1 17 . 1 1 22 22 ALA H H 22 7.847 7.847 7.439 0.408 17896 4217 1 17 . 1 1 23 23 LEU N N 23 118.505 118.505 117.919 0.586 17896 4218 1 17 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.976 0.075 17896 4219 1 17 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.657 1.470 17896 4220 1 17 . 1 1 23 23 LEU H H 23 7.546 7.546 7.467 0.079 17896 4221 1 17 . 1 1 24 24 LEU N N 24 114.492 114.492 111.748 2.744 17896 4222 1 17 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.299 -0.013 17896 4223 1 17 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.882 0.812 17896 4224 1 17 . 1 1 24 24 LEU H H 24 7.450 7.450 7.348 0.102 17896 4225 1 17 . 1 1 25 25 GLU N N 25 114.844 114.844 114.733 0.111 17896 4226 1 17 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.982 0.064 17896 4227 1 17 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.328 0.905 17896 4228 1 17 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.544 0.348 17896 4229 1 17 . 1 1 25 25 GLU H H 25 8.045 8.045 8.006 0.039 17896 4230 1 17 . 1 1 26 26 VAL N N 26 109.674 109.674 111.979 -2.305 17896 4231 1 17 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.470 0.300 17896 4232 1 17 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.408 -1.065 17896 4233 1 17 . 1 1 26 26 VAL H H 26 8.012 8.012 7.324 0.688 17896 4234 1 17 . 1 1 27 27 SER N N 27 114.352 114.352 117.063 -2.711 17896 4235 1 17 . 1 1 27 27 SER CB C 27 63.110 63.110 63.834 -0.723 17896 4236 1 17 . 1 1 27 27 SER H H 27 8.672 8.672 8.318 0.354 17896 4237 1 17 . 1 1 28 28 ARG N N 28 115.247 115.247 127.501 -12.254 17896 4238 1 17 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.907 -0.148 17896 4239 1 17 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.133 0.625 17896 4240 1 17 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.164 -0.214 17896 4241 1 17 . 1 1 28 28 ARG H H 28 8.263 8.263 8.975 -0.712 17896 4242 1 17 . 1 1 29 29 GLN N N 29 117.283 117.283 115.840 1.443 17896 4243 1 17 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.061 0.138 17896 4244 1 17 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.108 0.905 17896 4245 1 17 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.643 0.825 17896 4246 1 17 . 1 1 29 29 GLN H H 29 8.866 8.866 8.825 0.041 17896 4247 1 17 . 1 1 30 30 THR N N 30 119.955 119.955 115.404 4.551 17896 4248 1 17 . 1 1 30 30 THR HA H 30 4.454 4.454 4.055 0.399 17896 4249 1 17 . 1 1 30 30 THR CA C 30 68.781 68.781 65.717 3.064 17896 4250 1 17 . 1 1 30 30 THR CB C 30 67.567 67.567 67.816 -0.249 17896 4251 1 17 . 1 1 30 30 THR H H 30 8.168 8.168 7.491 0.677 17896 4252 1 17 . 1 1 31 31 ILE N N 31 118.777 118.777 122.825 -4.048 17896 4253 1 17 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.774 0.025 17896 4254 1 17 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.264 -1.335 17896 4255 1 17 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.125 -1.148 17896 4256 1 17 . 1 1 31 31 ILE H H 31 7.159 7.159 7.411 -0.252 17896 4257 1 17 . 1 1 32 32 ASN N N 32 118.007 118.007 119.191 -1.184 17896 4258 1 17 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.350 0.021 17896 4259 1 17 . 1 1 32 32 ASN CA C 32 58.052 58.052 57.335 0.717 17896 4260 1 17 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.248 1.833 17896 4261 1 17 . 1 1 32 32 ASN H H 32 8.692 8.692 8.952 -0.260 17896 4262 1 17 . 1 1 33 33 GLY N N 33 124.878 124.878 108.862 16.016 17896 4263 1 17 . 1 1 33 33 GLY H H 33 8.688 8.688 8.250 0.438 17896 4264 1 17 . 1 1 34 34 ILE N N 34 122.256 122.256 121.149 1.107 17896 4265 1 17 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.738 0.574 17896 4266 1 17 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.176 1.278 17896 4267 1 17 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.004 1.182 17896 4268 1 17 . 1 1 34 34 ILE H H 34 8.244 8.244 8.650 -0.406 17896 4269 1 17 . 1 1 35 35 GLU N N 35 120.621 120.621 120.299 0.322 17896 4270 1 17 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.291 0.023 17896 4271 1 17 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.903 1.689 17896 4272 1 17 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.539 0.213 17896 4273 1 17 . 1 1 35 35 GLU H H 35 8.646 8.646 8.385 0.261 17896 4274 1 17 . 1 1 36 36 LYS N N 36 115.927 115.927 119.463 -3.536 17896 4275 1 17 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.152 0.451 17896 4276 1 17 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.395 -0.111 17896 4277 1 17 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.207 1.631 17896 4278 1 17 . 1 1 36 36 LYS H H 36 8.125 8.125 7.548 0.577 17896 4279 1 17 . 1 1 37 37 ASN N N 37 114.474 114.474 116.344 -1.870 17896 4280 1 17 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.527 0.207 17896 4281 1 17 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.376 1.058 17896 4282 1 17 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.614 0.190 17896 4283 1 17 . 1 1 37 37 ASN H H 37 8.238 8.238 8.569 -0.331 17896 4284 1 17 . 1 1 38 38 LYS N N 38 115.022 115.022 116.971 -1.949 17896 4285 1 17 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.102 0.362 17896 4286 1 17 . 1 1 38 38 LYS CA C 38 56.614 56.614 57.289 -0.675 17896 4287 1 17 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.847 -0.761 17896 4288 1 17 . 1 1 38 38 LYS H H 38 8.761 8.761 8.412 0.349 17896 4289 1 17 . 1 1 39 39 TYR N N 39 117.018 117.018 116.625 0.393 17896 4290 1 17 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.725 -0.015 17896 4291 1 17 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.308 0.069 17896 4292 1 17 . 1 1 39 39 TYR H H 39 7.098 7.098 7.662 -0.564 17896 4293 1 17 . 1 1 40 40 ASN N N 40 123.636 123.636 119.769 3.867 17896 4294 1 17 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.930 -0.554 17896 4295 1 17 . 1 1 40 40 ASN H H 40 8.904 8.904 8.778 0.126 17896 4296 1 17 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.449 -0.559 17896 4297 1 17 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.102 0.368 17896 4298 1 17 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.349 0.112 17896 4299 1 17 . 1 1 42 42 SER N N 42 125.765 125.765 117.297 8.468 17896 4300 1 17 . 1 1 42 42 SER HA H 42 4.571 4.571 4.404 0.167 17896 4301 1 17 . 1 1 42 42 SER CA C 42 58.198 58.198 57.691 0.507 17896 4302 1 17 . 1 1 42 42 SER H H 42 8.107 8.107 8.163 -0.056 17896 4303 1 17 . 1 1 43 43 LEU N N 43 120.617 120.617 123.503 -2.886 17896 4304 1 17 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.932 0.082 17896 4305 1 17 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.420 -0.175 17896 4306 1 17 . 1 1 43 43 LEU H H 43 9.322 9.322 8.710 0.612 17896 4307 1 17 . 1 1 44 44 GLN N N 44 115.972 115.972 118.067 -2.095 17896 4308 1 17 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.067 -0.332 17896 4309 1 17 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.756 2.116 17896 4310 1 17 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.149 1.001 17896 4311 1 17 . 1 1 44 44 GLN H H 44 8.952 8.952 8.304 0.648 17896 4312 1 17 . 1 1 45 45 LEU N N 45 119.443 119.443 120.586 -1.143 17896 4313 1 17 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.075 -0.415 17896 4314 1 17 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.535 -2.673 17896 4315 1 17 . 1 1 45 45 LEU H H 45 8.129 8.129 7.796 0.333 17896 4316 1 17 . 1 1 46 46 ALA N N 46 120.485 120.485 121.672 -1.187 17896 4317 1 17 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.075 -0.015 17896 4318 1 17 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.935 1.550 17896 4319 1 17 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.087 2.654 17896 4320 1 17 . 1 1 46 46 ALA H H 46 8.531 8.531 8.902 -0.371 17896 4321 1 17 . 1 1 47 47 LEU N N 47 116.554 116.554 118.319 -1.765 17896 4322 1 17 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.911 0.301 17896 4323 1 17 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.872 0.529 17896 4324 1 17 . 1 1 47 47 LEU H H 47 8.761 8.761 8.441 0.320 17896 4325 1 17 . 1 1 48 48 LYS N N 48 121.029 121.029 118.848 2.181 17896 4326 1 17 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.211 -0.530 17896 4327 1 17 . 1 1 48 48 LYS CA C 48 60.727 60.727 58.779 1.948 17896 4328 1 17 . 1 1 48 48 LYS H H 48 8.068 8.068 7.661 0.407 17896 4329 1 17 . 1 1 49 49 ILE N N 49 120.454 120.454 119.094 1.360 17896 4330 1 17 . 1 1 49 49 ILE HA H 49 3.674 3.674 4.185 -0.511 17896 4331 1 17 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.664 3.438 17896 4332 1 17 . 1 1 49 49 ILE H H 49 8.822 8.822 7.924 0.898 17896 4333 1 17 . 1 1 50 50 ALA N N 50 120.394 120.394 122.964 -2.570 17896 4334 1 17 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.024 0.089 17896 4335 1 17 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.147 1.149 17896 4336 1 17 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.978 0.954 17896 4337 1 17 . 1 1 50 50 ALA H H 50 8.217 8.217 8.940 -0.723 17896 4338 1 17 . 1 1 51 51 TYR N N 51 117.083 117.083 120.293 -3.210 17896 4339 1 17 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.067 0.304 17896 4340 1 17 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.016 0.280 17896 4341 1 17 . 1 1 51 51 TYR H H 51 8.187 8.187 7.739 0.448 17896 4342 1 17 . 1 1 52 52 TYR N N 52 118.569 118.569 117.327 1.242 17896 4343 1 17 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.174 0.135 17896 4344 1 17 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.269 2.483 17896 4345 1 17 . 1 1 52 52 TYR H H 52 9.091 9.091 7.726 1.365 17896 4346 1 17 . 1 1 53 53 LEU N N 53 115.465 115.465 118.218 -2.753 17896 4347 1 17 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.226 0.356 17896 4348 1 17 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.830 -0.694 17896 4349 1 17 . 1 1 53 53 LEU H H 53 8.443 8.443 8.154 0.289 17896 4350 1 17 . 1 1 54 54 ASN N N 54 122.105 122.105 115.509 6.596 17896 4351 1 17 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.304 0.146 17896 4352 1 17 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.871 -0.216 17896 4353 1 17 . 1 1 54 54 ASN CB C 54 38.485 38.485 37.202 1.283 17896 4354 1 17 . 1 1 54 54 ASN H H 54 8.099 8.099 7.684 0.415 17896 4355 1 17 . 1 1 55 55 THR N N 55 114.942 114.942 113.822 1.120 17896 4356 1 17 . 1 1 55 55 THR HA H 55 5.014 5.014 4.835 0.179 17896 4357 1 17 . 1 1 55 55 THR CA C 55 60.889 60.889 59.581 1.308 17896 4358 1 17 . 1 1 55 55 THR CB C 55 75.500 75.500 71.781 3.719 17896 4359 1 17 . 1 1 55 55 THR H H 55 8.277 8.277 8.207 0.070 17896 4360 1 17 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.719 -0.140 17896 4361 1 17 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.370 0.906 17896 4362 1 17 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.815 -0.580 17896 4363 1 17 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.109 0.062 17896 4364 1 17 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.020 2.602 17896 4365 1 17 . 1 1 58 58 GLU N N 58 123.079 123.079 118.516 4.563 17896 4366 1 17 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.053 0.709 17896 4367 1 17 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.535 0.274 17896 4368 1 17 . 1 1 58 58 GLU H H 58 9.387 9.387 8.798 0.589 17896 4369 1 17 . 1 1 59 59 ASP N N 59 117.677 117.677 119.181 -1.504 17896 4370 1 17 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.489 0.101 17896 4371 1 17 . 1 1 59 59 ASP CA C 59 56.625 56.625 57.012 -0.387 17896 4372 1 17 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.743 0.148 17896 4373 1 17 . 1 1 59 59 ASP H H 59 8.035 8.035 8.634 -0.599 17896 4374 1 17 . 1 1 60 60 ILE N N 60 119.506 119.506 112.968 6.538 17896 4375 1 17 . 1 1 60 60 ILE H H 60 8.238 8.238 7.494 0.744 17896 4376 1 17 . 1 1 61 61 PHE N N 61 115.913 115.913 119.140 -3.227 17896 4377 1 17 . 1 1 61 61 PHE H H 61 8.548 8.548 8.544 0.004 17896 4378 1 17 . 1 1 62 62 GLN N N 62 116.558 116.558 119.271 -2.713 17896 4379 1 17 . 1 1 62 62 GLN H H 62 8.808 8.808 8.315 0.493 17896 4380 1 17 . 1 1 63 63 TRP N N 63 125.624 125.624 121.351 4.273 17896 4381 1 17 . 1 1 63 63 TRP H H 63 9.515 9.515 7.668 1.847 17896 4382 1 17 . 1 1 64 64 GLN N N 64 127.215 127.215 118.698 8.517 17896 4383 1 17 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.102 5.471 17896 4384 1 17 . 1 1 64 64 GLN H H 64 8.023 8.023 8.071 -0.048 17896 4385 1 17 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.232 0.478 17896 4386 1 17 . 1 1 65 65 PRO CA C 65 62.800 62.800 62.976 -0.176 17896 4387 1 18 . 1 1 2 2 ILE N N 2 123.023 123.023 120.411 2.612 17896 4388 1 18 . 1 1 2 2 ILE CB C 2 39.932 39.932 38.283 1.649 17896 4389 1 18 . 1 1 2 2 ILE H H 2 9.199 9.199 8.202 0.997 17896 4390 1 18 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.167 0.332 17896 4391 1 18 . 1 1 3 3 ILE CA C 3 60.783 60.783 58.518 2.265 17896 4392 1 18 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.834 2.721 17896 4393 1 18 . 1 1 4 4 ASN N N 4 124.021 124.021 120.342 3.679 17896 4394 1 18 . 1 1 4 4 ASN CB C 4 40.713 40.713 38.996 1.717 17896 4395 1 18 . 1 1 4 4 ASN H H 4 9.123 9.123 7.076 2.047 17896 4396 1 18 . 1 1 6 6 LEU N N 6 120.649 120.649 123.972 -3.323 17896 4397 1 18 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.062 -0.278 17896 4398 1 18 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.581 2.018 17896 4399 1 18 . 1 1 6 6 LEU H H 6 8.602 8.602 8.573 0.029 17896 4400 1 18 . 1 1 7 7 LYS N N 7 118.177 118.177 118.610 -0.433 17896 4401 1 18 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.924 0.008 17896 4402 1 18 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.097 2.209 17896 4403 1 18 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.259 1.175 17896 4404 1 18 . 1 1 7 7 LYS H H 7 8.972 8.972 7.796 1.176 17896 4405 1 18 . 1 1 8 8 LEU N N 8 116.322 116.322 120.291 -3.969 17896 4406 1 18 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.301 -0.111 17896 4407 1 18 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.691 0.599 17896 4408 1 18 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.991 1.768 17896 4409 1 18 . 1 1 8 8 LEU H H 8 7.743 7.743 7.574 0.169 17896 4410 1 18 . 1 1 9 9 ILE N N 9 119.138 119.138 118.913 0.225 17896 4411 1 18 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.702 0.212 17896 4412 1 18 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.571 0.287 17896 4413 1 18 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.501 1.183 17896 4414 1 18 . 1 1 9 9 ILE H H 9 8.239 8.239 7.635 0.604 17896 4415 1 18 . 1 1 10 10 ARG N N 10 120.186 120.186 121.045 -0.859 17896 4416 1 18 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.897 -0.007 17896 4417 1 18 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.886 1.782 17896 4418 1 18 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.480 -1.086 17896 4419 1 18 . 1 1 10 10 ARG H H 10 9.291 9.291 8.780 0.511 17896 4420 1 18 . 1 1 11 11 GLU N N 11 115.814 115.814 117.579 -1.765 17896 4421 1 18 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.053 0.148 17896 4422 1 18 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.863 1.423 17896 4423 1 18 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.058 0.756 17896 4424 1 18 . 1 1 11 11 GLU H H 11 8.732 8.732 8.279 0.453 17896 4425 1 18 . 1 1 12 12 LYS N N 12 122.969 122.969 119.665 3.304 17896 4426 1 18 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.118 0.105 17896 4427 1 18 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.363 1.854 17896 4428 1 18 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.341 0.557 17896 4429 1 18 . 1 1 12 12 LYS H H 12 8.275 8.275 7.480 0.795 17896 4430 1 18 . 1 1 13 13 LYS N N 13 116.324 116.324 116.088 0.236 17896 4431 1 18 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.293 0.019 17896 4432 1 18 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.144 -0.213 17896 4433 1 18 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.951 -1.198 17896 4434 1 18 . 1 1 13 13 LYS H H 13 7.800 7.800 7.537 0.263 17896 4435 1 18 . 1 1 14 14 LYS N N 14 115.342 115.342 115.070 0.272 17896 4436 1 18 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.933 0.112 17896 4437 1 18 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.371 1.683 17896 4438 1 18 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.211 -0.163 17896 4439 1 18 . 1 1 14 14 LYS H H 14 8.090 8.090 7.750 0.340 17896 4440 1 18 . 1 1 15 15 ILE N N 15 118.356 118.356 121.173 -2.817 17896 4441 1 18 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.130 0.504 17896 4442 1 18 . 1 1 15 15 ILE CA C 15 60.680 60.680 61.384 -0.704 17896 4443 1 18 . 1 1 15 15 ILE CB C 15 41.559 41.559 39.132 2.427 17896 4444 1 18 . 1 1 15 15 ILE H H 15 7.593 7.593 7.573 0.020 17896 4445 1 18 . 1 1 16 16 SER N N 16 125.139 125.139 123.389 1.750 17896 4446 1 18 . 1 1 16 16 SER HA H 16 4.571 4.571 4.479 0.092 17896 4447 1 18 . 1 1 16 16 SER CA C 16 57.781 57.781 58.453 -0.672 17896 4448 1 18 . 1 1 16 16 SER H H 16 9.500 9.500 8.585 0.915 17896 4449 1 18 . 1 1 17 17 GLN N N 17 120.188 120.188 121.087 -0.899 17896 4450 1 18 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.017 -0.138 17896 4451 1 18 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.666 2.996 17896 4452 1 18 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.643 1.101 17896 4453 1 18 . 1 1 17 17 GLN H H 17 9.575 9.575 8.973 0.602 17896 4454 1 18 . 1 1 18 18 SER N N 18 113.031 113.031 115.106 -2.075 17896 4455 1 18 . 1 1 18 18 SER H H 18 9.031 9.031 8.350 0.681 17896 4456 1 18 . 1 1 19 19 GLU N N 19 124.044 124.044 120.410 3.634 17896 4457 1 18 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.130 0.052 17896 4458 1 18 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.640 -0.231 17896 4459 1 18 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.387 1.052 17896 4460 1 18 . 1 1 19 19 GLU H H 19 8.381 8.381 8.520 -0.139 17896 4461 1 18 . 1 1 20 20 LEU N N 20 120.001 120.001 116.313 3.688 17896 4462 1 18 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.466 -0.367 17896 4463 1 18 . 1 1 20 20 LEU CA C 20 58.450 58.450 56.638 1.812 17896 4464 1 18 . 1 1 20 20 LEU H H 20 8.340 8.340 7.382 0.958 17896 4465 1 18 . 1 1 21 21 ALA N N 21 119.822 119.822 121.672 -1.850 17896 4466 1 18 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.953 -0.357 17896 4467 1 18 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.468 0.340 17896 4468 1 18 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.467 -0.711 17896 4469 1 18 . 1 1 21 21 ALA H H 21 8.632 8.632 8.073 0.559 17896 4470 1 18 . 1 1 22 22 ALA N N 22 117.186 117.186 120.537 -3.351 17896 4471 1 18 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.067 0.215 17896 4472 1 18 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.394 1.138 17896 4473 1 18 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.572 -0.019 17896 4474 1 18 . 1 1 22 22 ALA H H 22 7.847 7.847 7.672 0.175 17896 4475 1 18 . 1 1 23 23 LEU N N 23 118.505 118.505 118.040 0.465 17896 4476 1 18 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.964 0.087 17896 4477 1 18 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.771 1.356 17896 4478 1 18 . 1 1 23 23 LEU H H 23 7.546 7.546 7.490 0.056 17896 4479 1 18 . 1 1 24 24 LEU N N 24 114.492 114.492 113.193 1.299 17896 4480 1 18 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.283 0.003 17896 4481 1 18 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.776 0.918 17896 4482 1 18 . 1 1 24 24 LEU H H 24 7.450 7.450 7.461 -0.011 17896 4483 1 18 . 1 1 25 25 GLU N N 25 114.844 114.844 114.686 0.158 17896 4484 1 18 . 1 1 25 25 GLU HA H 25 4.046 4.046 4.017 0.029 17896 4485 1 18 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.407 0.826 17896 4486 1 18 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.190 -0.297 17896 4487 1 18 . 1 1 25 25 GLU H H 25 8.045 8.045 8.109 -0.064 17896 4488 1 18 . 1 1 26 26 VAL N N 26 109.674 109.674 112.539 -2.865 17896 4489 1 18 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.458 0.312 17896 4490 1 18 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.517 -1.174 17896 4491 1 18 . 1 1 26 26 VAL H H 26 8.012 8.012 7.384 0.628 17896 4492 1 18 . 1 1 27 27 SER N N 27 114.352 114.352 117.540 -3.188 17896 4493 1 18 . 1 1 27 27 SER CB C 27 63.110 63.110 63.897 -0.787 17896 4494 1 18 . 1 1 27 27 SER H H 27 8.672 8.672 8.292 0.380 17896 4495 1 18 . 1 1 28 28 ARG N N 28 115.247 115.247 127.329 -12.082 17896 4496 1 18 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.875 -0.116 17896 4497 1 18 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.174 0.584 17896 4498 1 18 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.127 -0.177 17896 4499 1 18 . 1 1 28 28 ARG H H 28 8.263 8.263 8.993 -0.730 17896 4500 1 18 . 1 1 29 29 GLN N N 29 117.283 117.283 117.040 0.243 17896 4501 1 18 . 1 1 29 29 GLN HA H 29 4.199 4.199 3.995 0.204 17896 4502 1 18 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.067 0.946 17896 4503 1 18 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.342 1.126 17896 4504 1 18 . 1 1 29 29 GLN H H 29 8.866 8.866 8.849 0.017 17896 4505 1 18 . 1 1 30 30 THR N N 30 119.955 119.955 117.559 2.396 17896 4506 1 18 . 1 1 30 30 THR HA H 30 4.454 4.454 4.028 0.426 17896 4507 1 18 . 1 1 30 30 THR CA C 30 68.781 68.781 65.866 2.915 17896 4508 1 18 . 1 1 30 30 THR CB C 30 67.567 67.567 68.310 -0.743 17896 4509 1 18 . 1 1 30 30 THR H H 30 8.168 8.168 7.895 0.273 17896 4510 1 18 . 1 1 31 31 ILE N N 31 118.777 118.777 122.874 -4.097 17896 4511 1 18 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.651 0.148 17896 4512 1 18 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.031 -1.102 17896 4513 1 18 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.031 -1.054 17896 4514 1 18 . 1 1 31 31 ILE H H 31 7.159 7.159 8.488 -1.329 17896 4515 1 18 . 1 1 32 32 ASN N N 32 118.007 118.007 119.084 -1.077 17896 4516 1 18 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.450 -0.079 17896 4517 1 18 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.637 1.415 17896 4518 1 18 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.163 1.918 17896 4519 1 18 . 1 1 32 32 ASN H H 32 8.692 8.692 9.069 -0.377 17896 4520 1 18 . 1 1 33 33 GLY N N 33 124.878 124.878 108.897 15.981 17896 4521 1 18 . 1 1 33 33 GLY H H 33 8.688 8.688 8.459 0.229 17896 4522 1 18 . 1 1 34 34 ILE N N 34 122.256 122.256 121.803 0.453 17896 4523 1 18 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.746 0.566 17896 4524 1 18 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.304 2.150 17896 4525 1 18 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.781 1.405 17896 4526 1 18 . 1 1 34 34 ILE H H 34 8.244 8.244 8.192 0.052 17896 4527 1 18 . 1 1 35 35 GLU N N 35 120.621 120.621 119.708 0.913 17896 4528 1 18 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.104 0.210 17896 4529 1 18 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.686 1.906 17896 4530 1 18 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.349 0.403 17896 4531 1 18 . 1 1 35 35 GLU H H 35 8.646 8.646 8.705 -0.059 17896 4532 1 18 . 1 1 36 36 LYS N N 36 115.927 115.927 119.255 -3.328 17896 4533 1 18 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.175 0.428 17896 4534 1 18 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.550 -0.266 17896 4535 1 18 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.413 1.425 17896 4536 1 18 . 1 1 36 36 LYS H H 36 8.125 8.125 7.575 0.550 17896 4537 1 18 . 1 1 37 37 ASN N N 37 114.474 114.474 113.978 0.496 17896 4538 1 18 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.575 0.159 17896 4539 1 18 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.535 0.899 17896 4540 1 18 . 1 1 37 37 ASN CB C 37 37.804 37.804 36.780 1.024 17896 4541 1 18 . 1 1 37 37 ASN H H 37 8.238 8.238 8.482 -0.244 17896 4542 1 18 . 1 1 38 38 LYS N N 38 115.022 115.022 118.919 -3.897 17896 4543 1 18 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.482 -0.018 17896 4544 1 18 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.903 -2.289 17896 4545 1 18 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.781 -0.695 17896 4546 1 18 . 1 1 38 38 LYS H H 38 8.761 8.761 8.562 0.199 17896 4547 1 18 . 1 1 39 39 TYR N N 39 117.018 117.018 113.413 3.605 17896 4548 1 18 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.688 0.022 17896 4549 1 18 . 1 1 39 39 TYR CA C 39 56.377 56.377 55.842 0.535 17896 4550 1 18 . 1 1 39 39 TYR H H 39 7.098 7.098 7.428 -0.330 17896 4551 1 18 . 1 1 40 40 ASN N N 40 123.636 123.636 119.407 4.229 17896 4552 1 18 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.465 -0.089 17896 4553 1 18 . 1 1 40 40 ASN H H 40 8.904 8.904 8.584 0.320 17896 4554 1 18 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.439 -0.549 17896 4555 1 18 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.655 -0.185 17896 4556 1 18 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.228 0.233 17896 4557 1 18 . 1 1 42 42 SER N N 42 125.765 125.765 117.883 7.882 17896 4558 1 18 . 1 1 42 42 SER HA H 42 4.571 4.571 4.350 0.221 17896 4559 1 18 . 1 1 42 42 SER CA C 42 58.198 58.198 58.861 -0.663 17896 4560 1 18 . 1 1 42 42 SER H H 42 8.107 8.107 8.405 -0.298 17896 4561 1 18 . 1 1 43 43 LEU N N 43 120.617 120.617 124.186 -3.569 17896 4562 1 18 . 1 1 43 43 LEU HA H 43 4.014 4.014 4.069 -0.055 17896 4563 1 18 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.802 0.443 17896 4564 1 18 . 1 1 43 43 LEU H H 43 9.322 9.322 8.826 0.496 17896 4565 1 18 . 1 1 44 44 GLN N N 44 115.972 115.972 119.829 -3.857 17896 4566 1 18 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.148 -0.413 17896 4567 1 18 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.606 2.266 17896 4568 1 18 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.989 1.161 17896 4569 1 18 . 1 1 44 44 GLN H H 44 8.952 8.952 8.338 0.614 17896 4570 1 18 . 1 1 45 45 LEU N N 45 119.443 119.443 119.957 -0.514 17896 4571 1 18 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.077 -0.416 17896 4572 1 18 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.564 -2.702 17896 4573 1 18 . 1 1 45 45 LEU H H 45 8.129 8.129 7.873 0.256 17896 4574 1 18 . 1 1 46 46 ALA N N 46 120.485 120.485 121.800 -1.315 17896 4575 1 18 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.078 -0.018 17896 4576 1 18 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.010 1.475 17896 4577 1 18 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.170 2.571 17896 4578 1 18 . 1 1 46 46 ALA H H 46 8.531 8.531 9.046 -0.515 17896 4579 1 18 . 1 1 47 47 LEU N N 47 116.554 116.554 118.561 -2.007 17896 4580 1 18 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.914 0.298 17896 4581 1 18 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.168 0.233 17896 4582 1 18 . 1 1 47 47 LEU H H 47 8.761 8.761 8.654 0.107 17896 4583 1 18 . 1 1 48 48 LYS N N 48 121.029 121.029 119.438 1.591 17896 4584 1 18 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.092 -0.411 17896 4585 1 18 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.104 1.623 17896 4586 1 18 . 1 1 48 48 LYS H H 48 8.068 8.068 7.527 0.541 17896 4587 1 18 . 1 1 49 49 ILE N N 49 120.454 120.454 120.503 -0.049 17896 4588 1 18 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.839 -0.165 17896 4589 1 18 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.247 2.855 17896 4590 1 18 . 1 1 49 49 ILE H H 49 8.822 8.822 7.637 1.185 17896 4591 1 18 . 1 1 50 50 ALA N N 50 120.394 120.394 123.880 -3.486 17896 4592 1 18 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.098 0.015 17896 4593 1 18 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.328 0.968 17896 4594 1 18 . 1 1 50 50 ALA CB C 50 18.932 18.932 18.324 0.608 17896 4595 1 18 . 1 1 50 50 ALA H H 50 8.217 8.217 9.084 -0.867 17896 4596 1 18 . 1 1 51 51 TYR N N 51 117.083 117.083 119.787 -2.704 17896 4597 1 18 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.115 0.256 17896 4598 1 18 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.163 0.133 17896 4599 1 18 . 1 1 51 51 TYR H H 51 8.187 8.187 8.277 -0.090 17896 4600 1 18 . 1 1 52 52 TYR N N 52 118.569 118.569 119.387 -0.818 17896 4601 1 18 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.198 0.111 17896 4602 1 18 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.029 2.723 17896 4603 1 18 . 1 1 52 52 TYR H H 52 9.091 9.091 7.889 1.202 17896 4604 1 18 . 1 1 53 53 LEU N N 53 115.465 115.465 118.529 -3.064 17896 4605 1 18 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.210 0.372 17896 4606 1 18 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.643 -0.507 17896 4607 1 18 . 1 1 53 53 LEU H H 53 8.443 8.443 8.585 -0.142 17896 4608 1 18 . 1 1 54 54 ASN N N 54 122.105 122.105 114.887 7.218 17896 4609 1 18 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.257 0.193 17896 4610 1 18 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.748 -0.093 17896 4611 1 18 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.827 1.658 17896 4612 1 18 . 1 1 54 54 ASN H H 54 8.099 8.099 7.522 0.577 17896 4613 1 18 . 1 1 55 55 THR N N 55 114.942 114.942 114.587 0.355 17896 4614 1 18 . 1 1 55 55 THR HA H 55 5.014 5.014 4.581 0.433 17896 4615 1 18 . 1 1 55 55 THR CA C 55 60.889 60.889 60.224 0.665 17896 4616 1 18 . 1 1 55 55 THR CB C 55 75.500 75.500 71.073 4.427 17896 4617 1 18 . 1 1 55 55 THR H H 55 8.277 8.277 8.054 0.223 17896 4618 1 18 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.509 0.070 17896 4619 1 18 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.859 0.417 17896 4620 1 18 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.609 -0.374 17896 4621 1 18 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.026 0.145 17896 4622 1 18 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.331 2.291 17896 4623 1 18 . 1 1 58 58 GLU N N 58 123.079 123.079 116.854 6.225 17896 4624 1 18 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.137 0.625 17896 4625 1 18 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.682 0.127 17896 4626 1 18 . 1 1 58 58 GLU H H 58 9.387 9.387 8.927 0.460 17896 4627 1 18 . 1 1 59 59 ASP N N 59 117.677 117.677 119.666 -1.989 17896 4628 1 18 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.510 0.080 17896 4629 1 18 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.889 -0.264 17896 4630 1 18 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.929 -0.038 17896 4631 1 18 . 1 1 59 59 ASP H H 59 8.035 8.035 8.290 -0.255 17896 4632 1 18 . 1 1 60 60 ILE N N 60 119.506 119.506 115.109 4.397 17896 4633 1 18 . 1 1 60 60 ILE H H 60 8.238 8.238 7.527 0.711 17896 4634 1 18 . 1 1 61 61 PHE N N 61 115.913 115.913 122.311 -6.398 17896 4635 1 18 . 1 1 61 61 PHE H H 61 8.548 8.548 8.796 -0.248 17896 4636 1 18 . 1 1 62 62 GLN N N 62 116.558 116.558 116.975 -0.417 17896 4637 1 18 . 1 1 62 62 GLN H H 62 8.808 8.808 8.788 0.020 17896 4638 1 18 . 1 1 63 63 TRP N N 63 125.624 125.624 117.309 8.315 17896 4639 1 18 . 1 1 63 63 TRP H H 63 9.515 9.515 7.538 1.977 17896 4640 1 18 . 1 1 64 64 GLN N N 64 127.215 127.215 114.205 13.010 17896 4641 1 18 . 1 1 64 64 GLN CB C 64 31.573 31.573 26.417 5.156 17896 4642 1 18 . 1 1 64 64 GLN H H 64 8.023 8.023 8.078 -0.055 17896 4643 1 18 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.246 0.464 17896 4644 1 18 . 1 1 65 65 PRO CA C 65 62.800 62.800 64.557 -1.757 17896 4645 1 19 . 1 1 2 2 ILE N N 2 123.023 123.023 117.029 5.994 17896 4646 1 19 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.082 2.850 17896 4647 1 19 . 1 1 2 2 ILE H H 2 9.199 9.199 8.162 1.037 17896 4648 1 19 . 1 1 3 3 ILE HA H 3 4.499 4.499 4.378 0.121 17896 4649 1 19 . 1 1 3 3 ILE CA C 3 60.783 60.783 59.958 0.825 17896 4650 1 19 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.029 2.526 17896 4651 1 19 . 1 1 4 4 ASN N N 4 124.021 124.021 125.234 -1.213 17896 4652 1 19 . 1 1 4 4 ASN CB C 4 40.713 40.713 40.931 -0.218 17896 4653 1 19 . 1 1 4 4 ASN H H 4 9.123 9.123 8.500 0.623 17896 4654 1 19 . 1 1 6 6 LEU N N 6 120.649 120.649 122.272 -1.623 17896 4655 1 19 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.259 -0.475 17896 4656 1 19 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.159 2.440 17896 4657 1 19 . 1 1 6 6 LEU H H 6 8.602 8.602 8.789 -0.187 17896 4658 1 19 . 1 1 7 7 LYS N N 7 118.177 118.177 118.644 -0.467 17896 4659 1 19 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.959 -0.027 17896 4660 1 19 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.360 1.946 17896 4661 1 19 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.681 0.753 17896 4662 1 19 . 1 1 7 7 LYS H H 7 8.972 8.972 8.031 0.941 17896 4663 1 19 . 1 1 8 8 LEU N N 8 116.322 116.322 120.432 -4.110 17896 4664 1 19 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.334 -0.144 17896 4665 1 19 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.853 0.437 17896 4666 1 19 . 1 1 8 8 LEU CB C 8 42.759 42.759 41.182 1.577 17896 4667 1 19 . 1 1 8 8 LEU H H 8 7.743 7.743 7.450 0.293 17896 4668 1 19 . 1 1 9 9 ILE N N 9 119.138 119.138 119.802 -0.664 17896 4669 1 19 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.695 0.219 17896 4670 1 19 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.923 -0.065 17896 4671 1 19 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.569 1.115 17896 4672 1 19 . 1 1 9 9 ILE H H 9 8.239 8.239 7.843 0.396 17896 4673 1 19 . 1 1 10 10 ARG N N 10 120.186 120.186 121.031 -0.845 17896 4674 1 19 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.939 -0.049 17896 4675 1 19 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.797 1.871 17896 4676 1 19 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.304 -0.910 17896 4677 1 19 . 1 1 10 10 ARG H H 10 9.291 9.291 8.852 0.439 17896 4678 1 19 . 1 1 11 11 GLU N N 11 115.814 115.814 117.233 -1.419 17896 4679 1 19 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.124 0.077 17896 4680 1 19 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.954 1.332 17896 4681 1 19 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.826 0.988 17896 4682 1 19 . 1 1 11 11 GLU H H 11 8.732 8.732 8.004 0.728 17896 4683 1 19 . 1 1 12 12 LYS N N 12 122.969 122.969 118.822 4.147 17896 4684 1 19 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.109 0.114 17896 4685 1 19 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.336 1.881 17896 4686 1 19 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.243 0.655 17896 4687 1 19 . 1 1 12 12 LYS H H 12 8.275 8.275 7.693 0.582 17896 4688 1 19 . 1 1 13 13 LYS N N 13 116.324 116.324 114.739 1.585 17896 4689 1 19 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.373 -0.061 17896 4690 1 19 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.885 0.047 17896 4691 1 19 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.609 -0.856 17896 4692 1 19 . 1 1 13 13 LYS H H 13 7.800 7.800 7.552 0.248 17896 4693 1 19 . 1 1 14 14 LYS N N 14 115.342 115.342 114.604 0.738 17896 4694 1 19 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.924 0.121 17896 4695 1 19 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.652 1.402 17896 4696 1 19 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.224 -0.176 17896 4697 1 19 . 1 1 14 14 LYS H H 14 8.090 8.090 7.360 0.730 17896 4698 1 19 . 1 1 15 15 ILE N N 15 118.356 118.356 120.746 -2.390 17896 4699 1 19 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.021 0.613 17896 4700 1 19 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.814 -0.134 17896 4701 1 19 . 1 1 15 15 ILE CB C 15 41.559 41.559 38.317 3.242 17896 4702 1 19 . 1 1 15 15 ILE H H 15 7.593 7.593 7.621 -0.028 17896 4703 1 19 . 1 1 16 16 SER N N 16 125.139 125.139 122.224 2.915 17896 4704 1 19 . 1 1 16 16 SER HA H 16 4.571 4.571 4.533 0.038 17896 4705 1 19 . 1 1 16 16 SER CA C 16 57.781 57.781 58.258 -0.477 17896 4706 1 19 . 1 1 16 16 SER H H 16 9.500 9.500 8.458 1.042 17896 4707 1 19 . 1 1 17 17 GLN N N 17 120.188 120.188 124.127 -3.939 17896 4708 1 19 . 1 1 17 17 GLN HA H 17 3.879 3.879 3.958 -0.079 17896 4709 1 19 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.757 2.905 17896 4710 1 19 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.337 1.407 17896 4711 1 19 . 1 1 17 17 GLN H H 17 9.575 9.575 9.023 0.552 17896 4712 1 19 . 1 1 18 18 SER N N 18 113.031 113.031 114.019 -0.988 17896 4713 1 19 . 1 1 18 18 SER H H 18 9.031 9.031 8.529 0.502 17896 4714 1 19 . 1 1 19 19 GLU N N 19 124.044 124.044 122.383 1.661 17896 4715 1 19 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.106 0.076 17896 4716 1 19 . 1 1 19 19 GLU CA C 19 59.409 59.409 58.992 0.417 17896 4717 1 19 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.851 0.588 17896 4718 1 19 . 1 1 19 19 GLU H H 19 8.381 8.381 7.824 0.557 17896 4719 1 19 . 1 1 20 20 LEU N N 20 120.001 120.001 116.469 3.532 17896 4720 1 19 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.392 -0.293 17896 4721 1 19 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.412 1.038 17896 4722 1 19 . 1 1 20 20 LEU H H 20 8.340 8.340 7.410 0.930 17896 4723 1 19 . 1 1 21 21 ALA N N 21 119.822 119.822 121.311 -1.489 17896 4724 1 19 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.987 -0.391 17896 4725 1 19 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.907 -0.099 17896 4726 1 19 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.029 -0.273 17896 4727 1 19 . 1 1 21 21 ALA H H 21 8.632 8.632 8.728 -0.096 17896 4728 1 19 . 1 1 22 22 ALA N N 22 117.186 117.186 120.630 -3.444 17896 4729 1 19 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.031 0.251 17896 4730 1 19 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.474 1.058 17896 4731 1 19 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.332 0.221 17896 4732 1 19 . 1 1 22 22 ALA H H 22 7.847 7.847 7.647 0.200 17896 4733 1 19 . 1 1 23 23 LEU N N 23 118.505 118.505 117.176 1.329 17896 4734 1 19 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.974 0.077 17896 4735 1 19 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.731 1.396 17896 4736 1 19 . 1 1 23 23 LEU H H 23 7.546 7.546 8.039 -0.493 17896 4737 1 19 . 1 1 24 24 LEU N N 24 114.492 114.492 113.691 0.801 17896 4738 1 19 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.135 0.151 17896 4739 1 19 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.011 -0.317 17896 4740 1 19 . 1 1 24 24 LEU H H 24 7.450 7.450 7.315 0.135 17896 4741 1 19 . 1 1 25 25 GLU N N 25 114.844 114.844 113.949 0.895 17896 4742 1 19 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.955 0.091 17896 4743 1 19 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.208 1.026 17896 4744 1 19 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.721 0.172 17896 4745 1 19 . 1 1 25 25 GLU H H 25 8.045 8.045 8.068 -0.023 17896 4746 1 19 . 1 1 26 26 VAL N N 26 109.674 109.674 112.681 -3.007 17896 4747 1 19 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.393 0.377 17896 4748 1 19 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.535 -1.192 17896 4749 1 19 . 1 1 26 26 VAL H H 26 8.012 8.012 7.492 0.520 17896 4750 1 19 . 1 1 27 27 SER N N 27 114.352 114.352 117.661 -3.309 17896 4751 1 19 . 1 1 27 27 SER CB C 27 63.110 63.110 64.025 -0.915 17896 4752 1 19 . 1 1 27 27 SER H H 27 8.672 8.672 8.459 0.213 17896 4753 1 19 . 1 1 28 28 ARG N N 28 115.247 115.247 126.149 -10.902 17896 4754 1 19 . 1 1 28 28 ARG HA H 28 3.759 3.759 4.088 -0.329 17896 4755 1 19 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.464 1.294 17896 4756 1 19 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.319 -0.369 17896 4757 1 19 . 1 1 28 28 ARG H H 28 8.263 8.263 8.825 -0.562 17896 4758 1 19 . 1 1 29 29 GLN N N 29 117.283 117.283 116.402 0.881 17896 4759 1 19 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.109 0.090 17896 4760 1 19 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.120 0.893 17896 4761 1 19 . 1 1 29 29 GLN CB C 29 28.468 28.468 28.225 0.243 17896 4762 1 19 . 1 1 29 29 GLN H H 29 8.866 8.866 8.647 0.219 17896 4763 1 19 . 1 1 30 30 THR N N 30 119.955 119.955 112.228 7.727 17896 4764 1 19 . 1 1 30 30 THR HA H 30 4.454 4.454 4.057 0.397 17896 4765 1 19 . 1 1 30 30 THR CA C 30 68.781 68.781 65.129 3.652 17896 4766 1 19 . 1 1 30 30 THR CB C 30 67.567 67.567 68.051 -0.484 17896 4767 1 19 . 1 1 30 30 THR H H 30 8.168 8.168 8.062 0.106 17896 4768 1 19 . 1 1 31 31 ILE N N 31 118.777 118.777 123.280 -4.503 17896 4769 1 19 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.583 0.216 17896 4770 1 19 . 1 1 31 31 ILE CA C 31 61.929 61.929 64.124 -2.195 17896 4771 1 19 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.318 -1.341 17896 4772 1 19 . 1 1 31 31 ILE H H 31 7.159 7.159 7.512 -0.353 17896 4773 1 19 . 1 1 32 32 ASN N N 32 118.007 118.007 117.592 0.415 17896 4774 1 19 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.438 -0.067 17896 4775 1 19 . 1 1 32 32 ASN CA C 32 58.052 58.052 55.757 2.295 17896 4776 1 19 . 1 1 32 32 ASN CB C 32 40.081 40.081 37.334 2.748 17896 4777 1 19 . 1 1 32 32 ASN H H 32 8.692 8.692 7.854 0.838 17896 4778 1 19 . 1 1 33 33 GLY N N 33 124.878 124.878 109.211 15.667 17896 4779 1 19 . 1 1 33 33 GLY H H 33 8.688 8.688 7.512 1.176 17896 4780 1 19 . 1 1 34 34 ILE N N 34 122.256 122.256 123.388 -1.132 17896 4781 1 19 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.549 0.763 17896 4782 1 19 . 1 1 34 34 ILE CA C 34 65.454 65.454 64.498 0.956 17896 4783 1 19 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.425 1.761 17896 4784 1 19 . 1 1 34 34 ILE H H 34 8.244 8.244 8.695 -0.451 17896 4785 1 19 . 1 1 35 35 GLU N N 35 120.621 120.621 121.083 -0.462 17896 4786 1 19 . 1 1 35 35 GLU HA H 35 4.314 4.314 3.984 0.330 17896 4787 1 19 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.737 1.855 17896 4788 1 19 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.597 0.155 17896 4789 1 19 . 1 1 35 35 GLU H H 35 8.646 8.646 8.203 0.443 17896 4790 1 19 . 1 1 36 36 LYS N N 36 115.927 115.927 119.886 -3.959 17896 4791 1 19 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.144 0.459 17896 4792 1 19 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.078 0.206 17896 4793 1 19 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.073 1.766 17896 4794 1 19 . 1 1 36 36 LYS H H 36 8.125 8.125 7.845 0.280 17896 4795 1 19 . 1 1 37 37 ASN N N 37 114.474 114.474 117.674 -3.200 17896 4796 1 19 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.513 0.221 17896 4797 1 19 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.622 0.812 17896 4798 1 19 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.250 0.554 17896 4799 1 19 . 1 1 37 37 ASN H H 37 8.238 8.238 8.799 -0.561 17896 4800 1 19 . 1 1 38 38 LYS N N 38 115.022 115.022 117.143 -2.121 17896 4801 1 19 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.545 -0.081 17896 4802 1 19 . 1 1 38 38 LYS CA C 38 56.614 56.614 57.635 -1.021 17896 4803 1 19 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.521 -0.435 17896 4804 1 19 . 1 1 38 38 LYS H H 38 8.761 8.761 8.394 0.367 17896 4805 1 19 . 1 1 39 39 TYR N N 39 117.018 117.018 113.909 3.109 17896 4806 1 19 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.630 0.080 17896 4807 1 19 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.644 -0.267 17896 4808 1 19 . 1 1 39 39 TYR H H 39 7.098 7.098 8.038 -0.940 17896 4809 1 19 . 1 1 40 40 ASN N N 40 123.636 123.636 120.962 2.674 17896 4810 1 19 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.178 0.198 17896 4811 1 19 . 1 1 40 40 ASN H H 40 8.904 8.904 8.525 0.379 17896 4812 1 19 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.527 -0.637 17896 4813 1 19 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.837 -0.367 17896 4814 1 19 . 1 1 41 41 PRO CB C 41 32.461 32.461 31.926 0.535 17896 4815 1 19 . 1 1 42 42 SER N N 42 125.765 125.765 118.477 7.288 17896 4816 1 19 . 1 1 42 42 SER HA H 42 4.571 4.571 4.454 0.117 17896 4817 1 19 . 1 1 42 42 SER CA C 42 58.198 58.198 58.004 0.194 17896 4818 1 19 . 1 1 42 42 SER H H 42 8.107 8.107 8.391 -0.284 17896 4819 1 19 . 1 1 43 43 LEU N N 43 120.617 120.617 125.092 -4.475 17896 4820 1 19 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.924 0.090 17896 4821 1 19 . 1 1 43 43 LEU CA C 43 59.245 59.245 59.008 0.237 17896 4822 1 19 . 1 1 43 43 LEU H H 43 9.322 9.322 8.811 0.511 17896 4823 1 19 . 1 1 44 44 GLN N N 44 115.972 115.972 118.395 -2.423 17896 4824 1 19 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.050 -0.315 17896 4825 1 19 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.671 2.201 17896 4826 1 19 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.629 1.521 17896 4827 1 19 . 1 1 44 44 GLN H H 44 8.952 8.952 8.347 0.605 17896 4828 1 19 . 1 1 45 45 LEU N N 45 119.443 119.443 120.197 -0.754 17896 4829 1 19 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.118 -0.458 17896 4830 1 19 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.314 -2.452 17896 4831 1 19 . 1 1 45 45 LEU H H 45 8.129 8.129 7.792 0.337 17896 4832 1 19 . 1 1 46 46 ALA N N 46 120.485 120.485 121.499 -1.014 17896 4833 1 19 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.099 -0.039 17896 4834 1 19 . 1 1 46 46 ALA CA C 46 56.485 56.485 54.947 1.538 17896 4835 1 19 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.170 2.571 17896 4836 1 19 . 1 1 46 46 ALA H H 46 8.531 8.531 8.966 -0.435 17896 4837 1 19 . 1 1 47 47 LEU N N 47 116.554 116.554 119.873 -3.319 17896 4838 1 19 . 1 1 47 47 LEU HA H 47 4.212 4.212 4.046 0.166 17896 4839 1 19 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.545 -0.145 17896 4840 1 19 . 1 1 47 47 LEU H H 47 8.761 8.761 8.592 0.169 17896 4841 1 19 . 1 1 48 48 LYS N N 48 121.029 121.029 119.157 1.872 17896 4842 1 19 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.118 -0.437 17896 4843 1 19 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.057 0.670 17896 4844 1 19 . 1 1 48 48 LYS H H 48 8.068 8.068 7.618 0.450 17896 4845 1 19 . 1 1 49 49 ILE N N 49 120.454 120.454 119.957 0.497 17896 4846 1 19 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.926 -0.252 17896 4847 1 19 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.257 3.845 17896 4848 1 19 . 1 1 49 49 ILE H H 49 8.822 8.822 7.461 1.361 17896 4849 1 19 . 1 1 50 50 ALA N N 50 120.394 120.394 123.013 -2.619 17896 4850 1 19 . 1 1 50 50 ALA HA H 50 4.113 4.113 4.044 0.069 17896 4851 1 19 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.370 0.926 17896 4852 1 19 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.709 1.224 17896 4853 1 19 . 1 1 50 50 ALA H H 50 8.217 8.217 8.943 -0.726 17896 4854 1 19 . 1 1 51 51 TYR N N 51 117.083 117.083 120.436 -3.353 17896 4855 1 19 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.041 0.330 17896 4856 1 19 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.351 -0.055 17896 4857 1 19 . 1 1 51 51 TYR H H 51 8.187 8.187 8.917 -0.730 17896 4858 1 19 . 1 1 52 52 TYR N N 52 118.569 118.569 117.344 1.225 17896 4859 1 19 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.234 0.075 17896 4860 1 19 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.778 1.974 17896 4861 1 19 . 1 1 52 52 TYR H H 52 9.091 9.091 8.438 0.653 17896 4862 1 19 . 1 1 53 53 LEU N N 53 115.465 115.465 118.200 -2.735 17896 4863 1 19 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.183 0.399 17896 4864 1 19 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.418 -0.282 17896 4865 1 19 . 1 1 53 53 LEU H H 53 8.443 8.443 8.496 -0.053 17896 4866 1 19 . 1 1 54 54 ASN N N 54 122.105 122.105 115.129 6.976 17896 4867 1 19 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.265 0.185 17896 4868 1 19 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.783 -0.128 17896 4869 1 19 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.727 1.758 17896 4870 1 19 . 1 1 54 54 ASN H H 54 8.099 8.099 7.666 0.433 17896 4871 1 19 . 1 1 55 55 THR N N 55 114.942 114.942 115.506 -0.564 17896 4872 1 19 . 1 1 55 55 THR HA H 55 5.014 5.014 4.675 0.339 17896 4873 1 19 . 1 1 55 55 THR CA C 55 60.889 60.889 59.169 1.720 17896 4874 1 19 . 1 1 55 55 THR CB C 55 75.500 75.500 71.064 4.436 17896 4875 1 19 . 1 1 55 55 THR H H 55 8.277 8.277 8.288 -0.011 17896 4876 1 19 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.603 -0.024 17896 4877 1 19 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.455 0.821 17896 4878 1 19 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.521 -0.286 17896 4879 1 19 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.087 0.084 17896 4880 1 19 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.576 2.046 17896 4881 1 19 . 1 1 58 58 GLU N N 58 123.079 123.079 118.707 4.372 17896 4882 1 19 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.074 0.688 17896 4883 1 19 . 1 1 58 58 GLU CA C 58 59.809 59.809 58.662 1.147 17896 4884 1 19 . 1 1 58 58 GLU H H 58 9.387 9.387 8.629 0.758 17896 4885 1 19 . 1 1 59 59 ASP N N 59 117.677 117.677 118.534 -0.857 17896 4886 1 19 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.427 0.163 17896 4887 1 19 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.080 0.545 17896 4888 1 19 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.717 0.174 17896 4889 1 19 . 1 1 59 59 ASP H H 59 8.035 8.035 8.083 -0.048 17896 4890 1 19 . 1 1 60 60 ILE N N 60 119.506 119.506 114.037 5.469 17896 4891 1 19 . 1 1 60 60 ILE H H 60 8.238 8.238 7.310 0.928 17896 4892 1 19 . 1 1 61 61 PHE N N 61 115.913 115.913 123.210 -7.297 17896 4893 1 19 . 1 1 61 61 PHE H H 61 8.548 8.548 8.085 0.463 17896 4894 1 19 . 1 1 62 62 GLN N N 62 116.558 116.558 118.217 -1.659 17896 4895 1 19 . 1 1 62 62 GLN H H 62 8.808 8.808 7.575 1.233 17896 4896 1 19 . 1 1 63 63 TRP N N 63 125.624 125.624 121.030 4.594 17896 4897 1 19 . 1 1 63 63 TRP H H 63 9.515 9.515 7.387 2.128 17896 4898 1 19 . 1 1 64 64 GLN N N 64 127.215 127.215 123.227 3.988 17896 4899 1 19 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.967 3.606 17896 4900 1 19 . 1 1 64 64 GLN H H 64 8.023 8.023 8.015 0.008 17896 4901 1 19 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.291 0.419 17896 4902 1 19 . 1 1 65 65 PRO CA C 65 62.800 62.800 64.296 -1.496 17896 4903 1 20 . 1 1 2 2 ILE N N 2 123.023 123.023 117.943 5.080 17896 4904 1 20 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.150 2.783 17896 4905 1 20 . 1 1 2 2 ILE H H 2 9.199 9.199 8.057 1.142 17896 4906 1 20 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.871 0.628 17896 4907 1 20 . 1 1 3 3 ILE CA C 3 60.783 60.783 62.724 -1.941 17896 4908 1 20 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.315 1.240 17896 4909 1 20 . 1 1 4 4 ASN N N 4 124.021 124.021 114.376 9.645 17896 4910 1 20 . 1 1 4 4 ASN CB C 4 40.713 40.713 38.737 1.976 17896 4911 1 20 . 1 1 4 4 ASN H H 4 9.123 9.123 8.272 0.851 17896 4912 1 20 . 1 1 6 6 LEU N N 6 120.649 120.649 122.859 -2.210 17896 4913 1 20 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.156 -0.372 17896 4914 1 20 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.044 2.555 17896 4915 1 20 . 1 1 6 6 LEU H H 6 8.602 8.602 8.922 -0.320 17896 4916 1 20 . 1 1 7 7 LYS N N 7 118.177 118.177 118.867 -0.690 17896 4917 1 20 . 1 1 7 7 LYS HA H 7 3.932 3.932 4.020 -0.088 17896 4918 1 20 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.803 2.503 17896 4919 1 20 . 1 1 7 7 LYS CB C 7 32.434 32.434 30.901 1.533 17896 4920 1 20 . 1 1 7 7 LYS H H 7 8.972 8.972 7.843 1.129 17896 4921 1 20 . 1 1 8 8 LEU N N 8 116.322 116.322 119.809 -3.487 17896 4922 1 20 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.112 0.078 17896 4923 1 20 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.602 0.688 17896 4924 1 20 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.507 2.252 17896 4925 1 20 . 1 1 8 8 LEU H H 8 7.743 7.743 7.850 -0.107 17896 4926 1 20 . 1 1 9 9 ILE N N 9 119.138 119.138 118.727 0.411 17896 4927 1 20 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.666 0.248 17896 4928 1 20 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.610 0.248 17896 4929 1 20 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.507 1.177 17896 4930 1 20 . 1 1 9 9 ILE H H 9 8.239 8.239 8.431 -0.192 17896 4931 1 20 . 1 1 10 10 ARG N N 10 120.186 120.186 120.877 -0.691 17896 4932 1 20 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.880 0.010 17896 4933 1 20 . 1 1 10 10 ARG CA C 10 61.668 61.668 60.047 1.621 17896 4934 1 20 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.434 -1.040 17896 4935 1 20 . 1 1 10 10 ARG H H 10 9.291 9.291 8.488 0.803 17896 4936 1 20 . 1 1 11 11 GLU N N 11 115.814 115.814 117.837 -2.023 17896 4937 1 20 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.149 0.052 17896 4938 1 20 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.727 1.559 17896 4939 1 20 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.143 0.671 17896 4940 1 20 . 1 1 11 11 GLU H H 11 8.732 8.732 8.134 0.598 17896 4941 1 20 . 1 1 12 12 LYS N N 12 122.969 122.969 120.873 2.096 17896 4942 1 20 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.131 0.092 17896 4943 1 20 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.541 1.676 17896 4944 1 20 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.184 0.714 17896 4945 1 20 . 1 1 12 12 LYS H H 12 8.275 8.275 7.651 0.624 17896 4946 1 20 . 1 1 13 13 LYS N N 13 116.324 116.324 115.818 0.506 17896 4947 1 20 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.339 -0.027 17896 4948 1 20 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.798 0.133 17896 4949 1 20 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.559 -0.806 17896 4950 1 20 . 1 1 13 13 LYS H H 13 7.800 7.800 7.509 0.291 17896 4951 1 20 . 1 1 14 14 LYS N N 14 115.342 115.342 116.615 -1.273 17896 4952 1 20 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.979 0.066 17896 4953 1 20 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.602 1.452 17896 4954 1 20 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.181 -0.133 17896 4955 1 20 . 1 1 14 14 LYS H H 14 8.090 8.090 8.145 -0.055 17896 4956 1 20 . 1 1 15 15 ILE N N 15 118.356 118.356 120.794 -2.438 17896 4957 1 20 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.304 0.330 17896 4958 1 20 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.052 0.628 17896 4959 1 20 . 1 1 15 15 ILE CB C 15 41.559 41.559 40.884 0.675 17896 4960 1 20 . 1 1 15 15 ILE H H 15 7.593 7.593 7.867 -0.274 17896 4961 1 20 . 1 1 16 16 SER N N 16 125.139 125.139 122.270 2.869 17896 4962 1 20 . 1 1 16 16 SER HA H 16 4.571 4.571 4.574 -0.003 17896 4963 1 20 . 1 1 16 16 SER CA C 16 57.781 57.781 57.264 0.517 17896 4964 1 20 . 1 1 16 16 SER H H 16 9.500 9.500 8.093 1.407 17896 4965 1 20 . 1 1 17 17 GLN N N 17 120.188 120.188 121.171 -0.983 17896 4966 1 20 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.047 -0.168 17896 4967 1 20 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.567 3.095 17896 4968 1 20 . 1 1 17 17 GLN CB C 17 29.744 29.744 27.884 1.860 17896 4969 1 20 . 1 1 17 17 GLN H H 17 9.575 9.575 9.004 0.571 17896 4970 1 20 . 1 1 18 18 SER N N 18 113.031 113.031 115.045 -2.014 17896 4971 1 20 . 1 1 18 18 SER H H 18 9.031 9.031 8.552 0.479 17896 4972 1 20 . 1 1 19 19 GLU N N 19 124.044 124.044 121.197 2.847 17896 4973 1 20 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.123 0.059 17896 4974 1 20 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.181 0.228 17896 4975 1 20 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.360 1.079 17896 4976 1 20 . 1 1 19 19 GLU H H 19 8.381 8.381 7.752 0.629 17896 4977 1 20 . 1 1 20 20 LEU N N 20 120.001 120.001 120.667 -0.666 17896 4978 1 20 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.106 -0.007 17896 4979 1 20 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.689 0.761 17896 4980 1 20 . 1 1 20 20 LEU H H 20 8.340 8.340 8.066 0.274 17896 4981 1 20 . 1 1 21 21 ALA N N 21 119.822 119.822 119.098 0.724 17896 4982 1 20 . 1 1 21 21 ALA HA H 21 3.596 3.596 4.071 -0.475 17896 4983 1 20 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.231 0.577 17896 4984 1 20 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.770 -1.014 17896 4985 1 20 . 1 1 21 21 ALA H H 21 8.632 8.632 8.573 0.059 17896 4986 1 20 . 1 1 22 22 ALA N N 22 117.186 117.186 122.036 -4.850 17896 4987 1 20 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.020 0.262 17896 4988 1 20 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.761 0.771 17896 4989 1 20 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.513 0.040 17896 4990 1 20 . 1 1 22 22 ALA H H 22 7.847 7.847 7.468 0.379 17896 4991 1 20 . 1 1 23 23 LEU N N 23 118.505 118.505 117.552 0.953 17896 4992 1 20 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.924 0.127 17896 4993 1 20 . 1 1 23 23 LEU CA C 23 58.127 58.127 55.894 2.233 17896 4994 1 20 . 1 1 23 23 LEU H H 23 7.546 7.546 8.109 -0.563 17896 4995 1 20 . 1 1 24 24 LEU N N 24 114.492 114.492 112.409 2.083 17896 4996 1 20 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.333 -0.047 17896 4997 1 20 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.871 0.823 17896 4998 1 20 . 1 1 24 24 LEU H H 24 7.450 7.450 7.528 -0.078 17896 4999 1 20 . 1 1 25 25 GLU N N 25 114.844 114.844 114.495 0.349 17896 5000 1 20 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.893 0.153 17896 5001 1 20 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.425 0.808 17896 5002 1 20 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.592 0.301 17896 5003 1 20 . 1 1 25 25 GLU H H 25 8.045 8.045 8.160 -0.115 17896 5004 1 20 . 1 1 26 26 VAL N N 26 109.674 109.674 112.361 -2.687 17896 5005 1 20 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.457 0.313 17896 5006 1 20 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.223 -0.880 17896 5007 1 20 . 1 1 26 26 VAL H H 26 8.012 8.012 7.337 0.675 17896 5008 1 20 . 1 1 27 27 SER N N 27 114.352 114.352 116.794 -2.442 17896 5009 1 20 . 1 1 27 27 SER CB C 27 63.110 63.110 64.008 -0.898 17896 5010 1 20 . 1 1 27 27 SER H H 27 8.672 8.672 8.242 0.430 17896 5011 1 20 . 1 1 28 28 ARG N N 28 115.247 115.247 126.768 -11.521 17896 5012 1 20 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.928 -0.169 17896 5013 1 20 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.987 0.771 17896 5014 1 20 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.074 -0.124 17896 5015 1 20 . 1 1 28 28 ARG H H 28 8.263 8.263 8.914 -0.651 17896 5016 1 20 . 1 1 29 29 GLN N N 29 117.283 117.283 116.856 0.427 17896 5017 1 20 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.094 0.105 17896 5018 1 20 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.111 0.902 17896 5019 1 20 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.559 0.909 17896 5020 1 20 . 1 1 29 29 GLN H H 29 8.866 8.866 8.896 -0.030 17896 5021 1 20 . 1 1 30 30 THR N N 30 119.955 119.955 115.772 4.183 17896 5022 1 20 . 1 1 30 30 THR HA H 30 4.454 4.454 4.049 0.405 17896 5023 1 20 . 1 1 30 30 THR CA C 30 68.781 68.781 65.186 3.595 17896 5024 1 20 . 1 1 30 30 THR CB C 30 67.567 67.567 68.311 -0.744 17896 5025 1 20 . 1 1 30 30 THR H H 30 8.168 8.168 7.320 0.848 17896 5026 1 20 . 1 1 31 31 ILE N N 31 118.777 118.777 123.281 -4.504 17896 5027 1 20 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.735 0.064 17896 5028 1 20 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.865 -1.936 17896 5029 1 20 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.922 -1.945 17896 5030 1 20 . 1 1 31 31 ILE H H 31 7.159 7.159 7.695 -0.536 17896 5031 1 20 . 1 1 32 32 ASN N N 32 118.007 118.007 118.713 -0.706 17896 5032 1 20 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.495 -0.124 17896 5033 1 20 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.330 1.722 17896 5034 1 20 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.157 1.924 17896 5035 1 20 . 1 1 32 32 ASN H H 32 8.692 8.692 8.964 -0.272 17896 5036 1 20 . 1 1 33 33 GLY N N 33 124.878 124.878 108.430 16.448 17896 5037 1 20 . 1 1 33 33 GLY H H 33 8.688 8.688 8.238 0.450 17896 5038 1 20 . 1 1 34 34 ILE N N 34 122.256 122.256 121.642 0.614 17896 5039 1 20 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.870 0.442 17896 5040 1 20 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.478 1.976 17896 5041 1 20 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.088 1.098 17896 5042 1 20 . 1 1 34 34 ILE H H 34 8.244 8.244 8.444 -0.200 17896 5043 1 20 . 1 1 35 35 GLU N N 35 120.621 120.621 120.071 0.550 17896 5044 1 20 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.368 -0.054 17896 5045 1 20 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.045 1.546 17896 5046 1 20 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.630 0.122 17896 5047 1 20 . 1 1 35 35 GLU H H 35 8.646 8.646 8.778 -0.132 17896 5048 1 20 . 1 1 36 36 LYS N N 36 115.927 115.927 118.884 -2.957 17896 5049 1 20 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.241 0.362 17896 5050 1 20 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.092 0.192 17896 5051 1 20 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.128 1.711 17896 5052 1 20 . 1 1 36 36 LYS H H 36 8.125 8.125 7.355 0.770 17896 5053 1 20 . 1 1 37 37 ASN N N 37 114.474 114.474 115.814 -1.340 17896 5054 1 20 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.523 0.211 17896 5055 1 20 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.541 0.893 17896 5056 1 20 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.861 -0.057 17896 5057 1 20 . 1 1 37 37 ASN H H 37 8.238 8.238 8.283 -0.045 17896 5058 1 20 . 1 1 38 38 LYS N N 38 115.022 115.022 118.064 -3.042 17896 5059 1 20 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.144 0.320 17896 5060 1 20 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.595 -1.981 17896 5061 1 20 . 1 1 38 38 LYS CB C 38 34.086 34.086 35.407 -1.321 17896 5062 1 20 . 1 1 38 38 LYS H H 38 8.761 8.761 8.366 0.395 17896 5063 1 20 . 1 1 39 39 TYR N N 39 117.018 117.018 116.293 0.725 17896 5064 1 20 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.679 0.031 17896 5065 1 20 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.505 -0.128 17896 5066 1 20 . 1 1 39 39 TYR H H 39 7.098 7.098 7.659 -0.561 17896 5067 1 20 . 1 1 40 40 ASN N N 40 123.636 123.636 118.605 5.031 17896 5068 1 20 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.830 -0.454 17896 5069 1 20 . 1 1 40 40 ASN H H 40 8.904 8.904 8.639 0.265 17896 5070 1 20 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.451 -0.561 17896 5071 1 20 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.981 0.489 17896 5072 1 20 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.254 0.207 17896 5073 1 20 . 1 1 42 42 SER N N 42 125.765 125.765 117.759 8.006 17896 5074 1 20 . 1 1 42 42 SER HA H 42 4.571 4.571 4.307 0.264 17896 5075 1 20 . 1 1 42 42 SER CA C 42 58.198 58.198 59.194 -0.996 17896 5076 1 20 . 1 1 42 42 SER H H 42 8.107 8.107 8.301 -0.194 17896 5077 1 20 . 1 1 43 43 LEU N N 43 120.617 120.617 126.769 -6.152 17896 5078 1 20 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.920 0.094 17896 5079 1 20 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.407 0.838 17896 5080 1 20 . 1 1 43 43 LEU H H 43 9.322 9.322 8.854 0.468 17896 5081 1 20 . 1 1 44 44 GLN N N 44 115.972 115.972 117.595 -1.623 17896 5082 1 20 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.041 -0.306 17896 5083 1 20 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.667 2.205 17896 5084 1 20 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.297 0.853 17896 5085 1 20 . 1 1 44 44 GLN H H 44 8.952 8.952 8.376 0.576 17896 5086 1 20 . 1 1 45 45 LEU N N 45 119.443 119.443 115.917 3.526 17896 5087 1 20 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.458 -0.798 17896 5088 1 20 . 1 1 45 45 LEU CA C 45 54.862 54.862 56.470 -1.608 17896 5089 1 20 . 1 1 45 45 LEU H H 45 8.129 8.129 7.161 0.968 17896 5090 1 20 . 1 1 46 46 ALA N N 46 120.485 120.485 123.335 -2.850 17896 5091 1 20 . 1 1 46 46 ALA HA H 46 4.060 4.060 3.938 0.122 17896 5092 1 20 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.092 1.393 17896 5093 1 20 . 1 1 46 46 ALA CB C 46 20.741 20.741 17.864 2.877 17896 5094 1 20 . 1 1 46 46 ALA H H 46 8.531 8.531 8.860 -0.329 17896 5095 1 20 . 1 1 47 47 LEU N N 47 116.554 116.554 117.677 -1.123 17896 5096 1 20 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.670 0.542 17896 5097 1 20 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.779 0.622 17896 5098 1 20 . 1 1 47 47 LEU H H 47 8.761 8.761 7.682 1.079 17896 5099 1 20 . 1 1 48 48 LYS N N 48 121.029 121.029 118.855 2.174 17896 5100 1 20 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.123 -0.442 17896 5101 1 20 . 1 1 48 48 LYS CA C 48 60.727 60.727 58.952 1.775 17896 5102 1 20 . 1 1 48 48 LYS H H 48 8.068 8.068 7.620 0.448 17896 5103 1 20 . 1 1 49 49 ILE N N 49 120.454 120.454 120.448 0.006 17896 5104 1 20 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.908 -0.234 17896 5105 1 20 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.178 3.924 17896 5106 1 20 . 1 1 49 49 ILE H H 49 8.822 8.822 7.654 1.168 17896 5107 1 20 . 1 1 50 50 ALA N N 50 120.394 120.394 123.573 -3.179 17896 5108 1 20 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.850 0.263 17896 5109 1 20 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.636 0.660 17896 5110 1 20 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.624 1.308 17896 5111 1 20 . 1 1 50 50 ALA H H 50 8.217 8.217 8.835 -0.618 17896 5112 1 20 . 1 1 51 51 TYR N N 51 117.083 117.083 117.432 -0.349 17896 5113 1 20 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.073 0.298 17896 5114 1 20 . 1 1 51 51 TYR CA C 51 62.296 62.296 61.290 1.006 17896 5115 1 20 . 1 1 51 51 TYR H H 51 8.187 8.187 7.349 0.838 17896 5116 1 20 . 1 1 52 52 TYR N N 52 118.569 118.569 116.709 1.860 17896 5117 1 20 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.298 0.011 17896 5118 1 20 . 1 1 52 52 TYR CA C 52 63.752 63.752 60.826 2.926 17896 5119 1 20 . 1 1 52 52 TYR H H 52 9.091 9.091 7.460 1.631 17896 5120 1 20 . 1 1 53 53 LEU N N 53 115.465 115.465 118.352 -2.887 17896 5121 1 20 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.246 0.336 17896 5122 1 20 . 1 1 53 53 LEU CA C 53 55.136 55.136 56.124 -0.988 17896 5123 1 20 . 1 1 53 53 LEU H H 53 8.443 8.443 8.616 -0.173 17896 5124 1 20 . 1 1 54 54 ASN N N 54 122.105 122.105 114.660 7.445 17896 5125 1 20 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.544 -0.094 17896 5126 1 20 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.799 -0.144 17896 5127 1 20 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.721 1.764 17896 5128 1 20 . 1 1 54 54 ASN H H 54 8.099 8.099 7.924 0.175 17896 5129 1 20 . 1 1 55 55 THR N N 55 114.942 114.942 114.949 -0.007 17896 5130 1 20 . 1 1 55 55 THR HA H 55 5.014 5.014 4.656 0.358 17896 5131 1 20 . 1 1 55 55 THR CA C 55 60.889 60.889 60.514 0.375 17896 5132 1 20 . 1 1 55 55 THR CB C 55 75.500 75.500 71.166 4.334 17896 5133 1 20 . 1 1 55 55 THR H H 55 8.277 8.277 8.363 -0.086 17896 5134 1 20 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.348 0.231 17896 5135 1 20 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.101 1.175 17896 5136 1 20 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.753 -0.518 17896 5137 1 20 . 1 1 57 57 LEU HA H 57 4.171 4.171 3.862 0.309 17896 5138 1 20 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.551 2.071 17896 5139 1 20 . 1 1 58 58 GLU N N 58 123.079 123.079 116.697 6.382 17896 5140 1 20 . 1 1 58 58 GLU HA H 58 4.762 4.762 3.917 0.845 17896 5141 1 20 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.771 0.038 17896 5142 1 20 . 1 1 58 58 GLU H H 58 9.387 9.387 8.448 0.939 17896 5143 1 20 . 1 1 59 59 ASP N N 59 117.677 117.677 118.695 -1.018 17896 5144 1 20 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.478 0.112 17896 5145 1 20 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.958 -0.333 17896 5146 1 20 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.982 -0.091 17896 5147 1 20 . 1 1 59 59 ASP H H 59 8.035 8.035 8.515 -0.480 17896 5148 1 20 . 1 1 60 60 ILE N N 60 119.506 119.506 113.585 5.921 17896 5149 1 20 . 1 1 60 60 ILE H H 60 8.238 8.238 7.241 0.997 17896 5150 1 20 . 1 1 61 61 PHE N N 61 115.913 115.913 119.581 -3.668 17896 5151 1 20 . 1 1 61 61 PHE H H 61 8.548 8.548 8.538 0.010 17896 5152 1 20 . 1 1 62 62 GLN N N 62 116.558 116.558 115.670 0.888 17896 5153 1 20 . 1 1 62 62 GLN H H 62 8.808 8.808 7.756 1.052 17896 5154 1 20 . 1 1 63 63 TRP N N 63 125.624 125.624 121.073 4.551 17896 5155 1 20 . 1 1 63 63 TRP H H 63 9.515 9.515 8.512 1.003 17896 5156 1 20 . 1 1 64 64 GLN N N 64 127.215 127.215 117.080 10.135 17896 5157 1 20 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.757 2.816 17896 5158 1 20 . 1 1 64 64 GLN H H 64 8.023 8.023 7.662 0.361 17896 5159 1 20 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.052 0.658 17896 5160 1 20 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.173 -0.373 17896 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 58 4.414 -0.241 4.446 17896 2 1 1 "Average Difference" HA 52 0.312 -0.074 0.306 17896 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17896 4 1 1 "Average Difference" CA 52 1.537 -0.652 1.405 17896 5 1 1 "Average Difference" CB 38 1.555 -0.870 1.307 17896 6 1 1 "Average Difference" HN 58 0.527 -0.247 0.469 17896 7 1 2 "Average Difference" N 58 4.476 -0.219 4.510 17896 8 1 2 "Average Difference" HA 52 0.277 -0.063 0.273 17896 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17896 10 1 2 "Average Difference" CA 52 1.444 -0.783 1.224 17896 11 1 2 "Average Difference" CB 38 1.623 -0.732 1.468 17896 12 1 2 "Average Difference" HN 58 0.625 -0.252 0.577 17896 13 1 3 "Average Difference" N 58 4.210 -0.228 4.241 17896 14 1 3 "Average Difference" HA 52 0.306 -0.085 0.297 17896 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17896 16 1 3 "Average Difference" CA 52 1.452 -0.763 1.247 17896 17 1 3 "Average Difference" CB 38 1.369 -0.586 1.254 17896 18 1 3 "Average Difference" HN 58 0.579 -0.188 0.552 17896 19 1 4 "Average Difference" N 58 4.118 -0.026 4.154 17896 20 1 4 "Average Difference" HA 52 0.270 -0.060 0.265 17896 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17896 22 1 4 "Average Difference" CA 52 1.370 -0.696 1.192 17896 23 1 4 "Average Difference" CB 38 1.414 -0.639 1.278 17896 24 1 4 "Average Difference" HN 58 0.520 -0.192 0.488 17896 25 1 5 "Average Difference" N 58 3.976 -0.154 4.008 17896 26 1 5 "Average Difference" HA 52 0.293 -0.086 0.282 17896 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17896 28 1 5 "Average Difference" CA 52 1.507 -0.783 1.301 17896 29 1 5 "Average Difference" CB 38 1.580 -0.790 1.386 17896 30 1 5 "Average Difference" HN 58 0.682 -0.326 0.605 17896 31 1 6 "Average Difference" N 58 4.048 -0.138 4.081 17896 32 1 6 "Average Difference" HA 52 0.282 -0.064 0.277 17896 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17896 34 1 6 "Average Difference" CA 52 1.468 -0.732 1.284 17896 35 1 6 "Average Difference" CB 38 1.516 -0.815 1.295 17896 36 1 6 "Average Difference" HN 58 0.528 -0.245 0.472 17896 37 1 7 "Average Difference" N 58 4.481 -0.460 4.497 17896 38 1 7 "Average Difference" HA 52 0.337 -0.100 0.325 17896 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17896 40 1 7 "Average Difference" CA 52 1.555 -0.775 1.361 17896 41 1 7 "Average Difference" CB 38 1.564 -0.797 1.364 17896 42 1 7 "Average Difference" HN 58 0.703 -0.306 0.638 17896 43 1 8 "Average Difference" N 58 4.493 0.020 4.532 17896 44 1 8 "Average Difference" HA 52 0.310 -0.106 0.294 17896 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17896 46 1 8 "Average Difference" CA 52 1.528 -0.715 1.363 17896 47 1 8 "Average Difference" CB 38 1.648 -0.819 1.449 17896 48 1 8 "Average Difference" HN 58 0.610 -0.193 0.584 17896 49 1 9 "Average Difference" N 58 4.379 -0.261 4.409 17896 50 1 9 "Average Difference" HA 52 0.265 -0.061 0.261 17896 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17896 52 1 9 "Average Difference" CA 52 1.485 -0.830 1.244 17896 53 1 9 "Average Difference" CB 38 1.517 -0.696 1.365 17896 54 1 9 "Average Difference" HN 58 0.640 -0.286 0.578 17896 55 1 10 "Average Difference" N 58 4.322 -0.071 4.359 17896 56 1 10 "Average Difference" HA 52 0.316 -0.083 0.308 17896 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17896 58 1 10 "Average Difference" CA 52 1.428 -0.691 1.261 17896 59 1 10 "Average Difference" CB 38 1.475 -0.841 1.228 17896 60 1 10 "Average Difference" HN 58 0.517 -0.214 0.474 17896 61 1 11 "Average Difference" N 58 4.646 -0.140 4.685 17896 62 1 11 "Average Difference" HA 52 0.307 -0.077 0.300 17896 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17896 64 1 11 "Average Difference" CA 52 1.471 -0.828 1.227 17896 65 1 11 "Average Difference" CB 38 1.482 -0.800 1.264 17896 66 1 11 "Average Difference" HN 58 0.632 -0.294 0.564 17896 67 1 12 "Average Difference" N 58 4.704 -0.537 4.714 17896 68 1 12 "Average Difference" HA 52 0.297 -0.066 0.293 17896 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17896 70 1 12 "Average Difference" CA 52 1.575 -0.827 1.354 17896 71 1 12 "Average Difference" CB 38 1.528 -0.826 1.302 17896 72 1 12 "Average Difference" HN 58 0.623 -0.328 0.534 17896 73 1 13 "Average Difference" N 58 4.398 -0.387 4.419 17896 74 1 13 "Average Difference" HA 52 0.295 -0.064 0.291 17896 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17896 76 1 13 "Average Difference" CA 52 1.448 -0.785 1.228 17896 77 1 13 "Average Difference" CB 38 1.447 -0.646 1.312 17896 78 1 13 "Average Difference" HN 58 0.636 -0.237 0.596 17896 79 1 14 "Average Difference" N 58 4.347 -0.462 4.360 17896 80 1 14 "Average Difference" HA 52 0.304 -0.074 0.298 17896 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17896 82 1 14 "Average Difference" CA 52 1.517 -0.800 1.301 17896 83 1 14 "Average Difference" CB 38 1.388 -0.638 1.249 17896 84 1 14 "Average Difference" HN 58 0.736 -0.394 0.627 17896 85 1 15 "Average Difference" N 58 4.251 -0.069 4.287 17896 86 1 15 "Average Difference" HA 52 0.263 -0.063 0.258 17896 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17896 88 1 15 "Average Difference" CA 52 1.536 -0.783 1.335 17896 89 1 15 "Average Difference" CB 38 1.506 -0.724 1.338 17896 90 1 15 "Average Difference" HN 58 0.613 -0.280 0.551 17896 91 1 16 "Average Difference" N 58 4.240 -0.514 4.246 17896 92 1 16 "Average Difference" HA 52 0.300 -0.056 0.298 17896 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17896 94 1 16 "Average Difference" CA 52 1.563 -0.837 1.333 17896 95 1 16 "Average Difference" CB 38 1.544 -0.761 1.362 17896 96 1 16 "Average Difference" HN 58 0.616 -0.343 0.517 17896 97 1 17 "Average Difference" N 58 4.272 -0.271 4.301 17896 98 1 17 "Average Difference" HA 52 0.309 -0.073 0.303 17896 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17896 100 1 17 "Average Difference" CA 52 1.522 -0.717 1.356 17896 101 1 17 "Average Difference" CB 38 1.712 -0.841 1.512 17896 102 1 17 "Average Difference" HN 58 0.569 -0.243 0.519 17896 103 1 18 "Average Difference" N 58 4.444 -0.286 4.473 17896 104 1 18 "Average Difference" HA 52 0.274 -0.080 0.264 17896 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17896 106 1 18 "Average Difference" CA 52 1.499 -0.736 1.319 17896 107 1 18 "Average Difference" CB 38 1.636 -0.837 1.425 17896 108 1 18 "Average Difference" HN 58 0.657 -0.286 0.596 17896 109 1 19 "Average Difference" N 58 4.094 -0.071 4.129 17896 110 1 19 "Average Difference" HA 52 0.299 -0.074 0.292 17896 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17896 112 1 19 "Average Difference" CA 52 1.482 -0.753 1.289 17896 113 1 19 "Average Difference" CB 38 1.613 -0.871 1.376 17896 114 1 19 "Average Difference" HN 58 0.653 -0.320 0.575 17896 115 1 20 "Average Difference" N 58 4.412 -0.570 4.413 17896 116 1 20 "Average Difference" HA 52 0.319 -0.093 0.308 17896 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17896 118 1 20 "Average Difference" CA 52 1.553 -0.820 1.331 17896 119 1 20 "Average Difference" CB 38 1.518 -0.713 1.358 17896 120 1 20 "Average Difference" HN 58 0.651 -0.324 0.569 17896 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 17896 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 123.023 123.023 120.526 2.497 17896 2 1 . 1 1 2 2 ILE CB C 2 39.932 39.932 37.896 2.036 17896 3 1 . 1 1 2 2 ILE H H 2 9.199 9.199 8.224 0.975 17896 4 1 . 1 1 3 3 ILE HA H 3 4.499 4.499 3.993 0.506 17896 5 1 . 1 1 3 3 ILE CA C 3 60.783 60.783 61.200 -0.417 17896 6 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.088 1.467 17896 7 1 . 1 1 4 4 ASN N N 4 124.021 124.021 120.678 3.343 17896 8 1 . 1 1 4 4 ASN CB C 4 40.713 40.713 39.348 1.365 17896 9 1 . 1 1 4 4 ASN H H 4 9.123 9.123 8.548 0.575 17896 10 1 . 1 1 6 6 LEU N N 6 120.649 120.649 123.147 -2.498 17896 11 1 . 1 1 6 6 LEU HA H 6 3.784 3.784 4.136 -0.352 17896 12 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.144 2.455 17896 13 1 . 1 1 6 6 LEU H H 6 8.602 8.602 8.883 -0.281 17896 14 1 . 1 1 7 7 LYS N N 7 118.177 118.177 118.408 -0.231 17896 15 1 . 1 1 7 7 LYS HA H 7 3.932 3.932 3.986 -0.054 17896 16 1 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.151 2.155 17896 17 1 . 1 1 7 7 LYS CB C 7 32.434 32.434 31.314 1.120 17896 18 1 . 1 1 7 7 LYS H H 7 8.972 8.972 8.219 0.753 17896 19 1 . 1 1 8 8 LEU N N 8 116.322 116.322 120.655 -4.333 17896 20 1 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.231 -0.041 17896 21 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.726 0.564 17896 22 1 . 1 1 8 8 LEU CB C 8 42.759 42.759 40.963 1.796 17896 23 1 . 1 1 8 8 LEU H H 8 7.743 7.743 7.761 -0.018 17896 24 1 . 1 1 9 9 ILE N N 9 119.138 119.138 119.326 -0.188 17896 25 1 . 1 1 9 9 ILE HA H 9 3.914 3.914 3.703 0.211 17896 26 1 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.731 0.127 17896 27 1 . 1 1 9 9 ILE CB C 9 37.684 37.684 36.501 1.183 17896 28 1 . 1 1 9 9 ILE H H 9 8.239 8.239 8.251 -0.012 17896 29 1 . 1 1 10 10 ARG N N 10 120.186 120.186 120.713 -0.527 17896 30 1 . 1 1 10 10 ARG HA H 10 3.890 3.890 3.913 -0.023 17896 31 1 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.890 1.778 17896 32 1 . 1 1 10 10 ARG CB C 10 29.394 29.394 30.349 -0.955 17896 33 1 . 1 1 10 10 ARG H H 10 9.291 9.291 8.499 0.792 17896 34 1 . 1 1 11 11 GLU N N 11 115.814 115.814 117.796 -1.982 17896 35 1 . 1 1 11 11 GLU HA H 11 4.201 4.201 4.094 0.107 17896 36 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.922 1.364 17896 37 1 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.983 0.831 17896 38 1 . 1 1 11 11 GLU H H 11 8.732 8.732 8.202 0.530 17896 39 1 . 1 1 12 12 LYS N N 12 122.969 122.969 119.986 2.983 17896 40 1 . 1 1 12 12 LYS HA H 12 4.223 4.223 4.119 0.104 17896 41 1 . 1 1 12 12 LYS CA C 12 60.217 60.217 58.474 1.743 17896 42 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.213 0.685 17896 43 1 . 1 1 12 12 LYS H H 12 8.275 8.275 7.737 0.538 17896 44 1 . 1 1 13 13 LYS N N 13 116.324 116.324 115.611 0.713 17896 45 1 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.333 -0.021 17896 46 1 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.980 -0.049 17896 47 1 . 1 1 13 13 LYS CB C 13 31.753 31.753 32.504 -0.751 17896 48 1 . 1 1 13 13 LYS H H 13 7.800 7.800 7.580 0.220 17896 49 1 . 1 1 14 14 LYS N N 14 115.342 115.342 115.081 0.261 17896 50 1 . 1 1 14 14 LYS HA H 14 4.045 4.045 3.933 0.112 17896 51 1 . 1 1 14 14 LYS CA C 14 58.054 58.054 56.802 1.252 17896 52 1 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.315 -0.267 17896 53 1 . 1 1 14 14 LYS H H 14 8.090 8.090 7.733 0.357 17896 54 1 . 1 1 15 15 ILE N N 15 118.356 118.356 120.575 -2.219 17896 55 1 . 1 1 15 15 ILE HA H 15 4.634 4.634 4.152 0.482 17896 56 1 . 1 1 15 15 ILE CA C 15 60.680 60.680 60.740 -0.060 17896 57 1 . 1 1 15 15 ILE CB C 15 41.559 41.559 39.735 1.824 17896 58 1 . 1 1 15 15 ILE H H 15 7.593 7.593 7.737 -0.144 17896 59 1 . 1 1 16 16 SER N N 16 125.139 125.139 122.534 2.605 17896 60 1 . 1 1 16 16 SER HA H 16 4.571 4.571 4.588 -0.017 17896 61 1 . 1 1 16 16 SER CA C 16 57.781 57.781 57.755 0.026 17896 62 1 . 1 1 16 16 SER H H 16 9.500 9.500 8.976 0.524 17896 63 1 . 1 1 17 17 GLN N N 17 120.188 120.188 122.239 -2.051 17896 64 1 . 1 1 17 17 GLN HA H 17 3.879 3.879 4.010 -0.131 17896 65 1 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.534 3.128 17896 66 1 . 1 1 17 17 GLN CB C 17 29.744 29.744 28.195 1.549 17896 67 1 . 1 1 17 17 GLN H H 17 9.575 9.575 8.963 0.612 17896 68 1 . 1 1 18 18 SER N N 18 113.031 113.031 115.018 -1.987 17896 69 1 . 1 1 18 18 SER H H 18 9.031 9.031 8.403 0.628 17896 70 1 . 1 1 19 19 GLU N N 19 124.044 124.044 121.035 3.009 17896 71 1 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.120 0.061 17896 72 1 . 1 1 19 19 GLU CA C 19 59.409 59.409 59.338 0.071 17896 73 1 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.550 0.889 17896 74 1 . 1 1 19 19 GLU H H 19 8.381 8.381 7.943 0.438 17896 75 1 . 1 1 20 20 LEU N N 20 120.001 120.001 117.017 2.984 17896 76 1 . 1 1 20 20 LEU HA H 20 4.099 4.099 4.316 -0.217 17896 77 1 . 1 1 20 20 LEU CA C 20 58.450 58.450 57.105 1.345 17896 78 1 . 1 1 20 20 LEU H H 20 8.340 8.340 7.454 0.886 17896 79 1 . 1 1 21 21 ALA N N 21 119.822 119.822 121.430 -1.608 17896 80 1 . 1 1 21 21 ALA HA H 21 3.596 3.596 3.955 -0.359 17896 81 1 . 1 1 21 21 ALA CA C 21 54.808 54.808 54.733 0.075 17896 82 1 . 1 1 21 21 ALA CB C 21 17.756 17.756 18.222 -0.465 17896 83 1 . 1 1 21 21 ALA H H 21 8.632 8.632 8.507 0.125 17896 84 1 . 1 1 22 22 ALA N N 22 117.186 117.186 120.370 -3.184 17896 85 1 . 1 1 22 22 ALA HA H 22 4.282 4.282 4.058 0.224 17896 86 1 . 1 1 22 22 ALA CA C 22 55.532 55.532 54.394 1.138 17896 87 1 . 1 1 22 22 ALA CB C 22 18.553 18.553 18.452 0.101 17896 88 1 . 1 1 22 22 ALA H H 22 7.847 7.847 7.721 0.126 17896 89 1 . 1 1 23 23 LEU N N 23 118.505 118.505 118.063 0.442 17896 90 1 . 1 1 23 23 LEU HA H 23 4.051 4.051 3.989 0.062 17896 91 1 . 1 1 23 23 LEU CA C 23 58.127 58.127 56.701 1.426 17896 92 1 . 1 1 23 23 LEU H H 23 7.546 7.546 7.681 -0.135 17896 93 1 . 1 1 24 24 LEU N N 24 114.492 114.492 112.371 2.121 17896 94 1 . 1 1 24 24 LEU HA H 24 4.286 4.286 4.277 0.009 17896 95 1 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.027 0.667 17896 96 1 . 1 1 24 24 LEU H H 24 7.450 7.450 7.437 0.013 17896 97 1 . 1 1 25 25 GLU N N 25 114.844 114.844 114.426 0.418 17896 98 1 . 1 1 25 25 GLU HA H 25 4.046 4.046 3.942 0.104 17896 99 1 . 1 1 25 25 GLU CA C 25 58.233 58.233 57.310 0.923 17896 100 1 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.807 0.086 17896 101 1 . 1 1 25 25 GLU H H 25 8.045 8.045 8.013 0.032 17896 102 1 . 1 1 26 26 VAL N N 26 109.674 109.674 112.112 -2.438 17896 103 1 . 1 1 26 26 VAL HA H 26 4.770 4.770 4.447 0.323 17896 104 1 . 1 1 26 26 VAL CA C 26 58.343 58.343 59.443 -1.100 17896 105 1 . 1 1 26 26 VAL H H 26 8.012 8.012 7.391 0.621 17896 106 1 . 1 1 27 27 SER N N 27 114.352 114.352 117.016 -2.664 17896 107 1 . 1 1 27 27 SER CB C 27 63.110 63.110 63.823 -0.713 17896 108 1 . 1 1 27 27 SER H H 27 8.672 8.672 8.360 0.312 17896 109 1 . 1 1 28 28 ARG N N 28 115.247 115.247 127.227 -11.980 17896 110 1 . 1 1 28 28 ARG HA H 28 3.759 3.759 3.947 -0.188 17896 111 1 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.015 0.742 17896 112 1 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.208 -0.258 17896 113 1 . 1 1 28 28 ARG H H 28 8.263 8.263 8.931 -0.668 17896 114 1 . 1 1 29 29 GLN N N 29 117.283 117.283 116.989 0.294 17896 115 1 . 1 1 29 29 GLN HA H 29 4.199 4.199 4.094 0.105 17896 116 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.206 0.807 17896 117 1 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.699 0.769 17896 118 1 . 1 1 29 29 GLN H H 29 8.866 8.866 8.836 0.030 17896 119 1 . 1 1 30 30 THR N N 30 119.955 119.955 115.225 4.730 17896 120 1 . 1 1 30 30 THR HA H 30 4.454 4.454 4.037 0.417 17896 121 1 . 1 1 30 30 THR CA C 30 68.781 68.781 65.553 3.228 17896 122 1 . 1 1 30 30 THR CB C 30 67.567 67.567 68.188 -0.621 17896 123 1 . 1 1 30 30 THR H H 30 8.168 8.168 7.863 0.305 17896 124 1 . 1 1 31 31 ILE N N 31 118.777 118.777 122.918 -4.141 17896 125 1 . 1 1 31 31 ILE HA H 31 3.799 3.799 3.682 0.117 17896 126 1 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.654 -1.725 17896 127 1 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.531 -1.554 17896 128 1 . 1 1 31 31 ILE H H 31 7.159 7.159 7.916 -0.757 17896 129 1 . 1 1 32 32 ASN N N 32 118.007 118.007 118.642 -0.635 17896 130 1 . 1 1 32 32 ASN HA H 32 4.371 4.371 4.417 -0.046 17896 131 1 . 1 1 32 32 ASN CA C 32 58.052 58.052 56.519 1.533 17896 132 1 . 1 1 32 32 ASN CB C 32 40.081 40.081 38.235 1.846 17896 133 1 . 1 1 32 32 ASN H H 32 8.692 8.692 8.594 0.098 17896 134 1 . 1 1 33 33 GLY N N 33 124.878 124.878 108.703 16.175 17896 135 1 . 1 1 33 33 GLY H H 33 8.688 8.688 8.163 0.525 17896 136 1 . 1 1 34 34 ILE N N 34 122.256 122.256 121.807 0.449 17896 137 1 . 1 1 34 34 ILE HA H 34 4.312 4.312 3.740 0.572 17896 138 1 . 1 1 34 34 ILE CA C 34 65.454 65.454 63.751 1.703 17896 139 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.837 1.348 17896 140 1 . 1 1 34 34 ILE H H 34 8.244 8.244 8.523 -0.279 17896 141 1 . 1 1 35 35 GLU N N 35 120.621 120.621 119.933 0.688 17896 142 1 . 1 1 35 35 GLU HA H 35 4.314 4.314 4.244 0.070 17896 143 1 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.826 1.766 17896 144 1 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.426 0.326 17896 145 1 . 1 1 35 35 GLU H H 35 8.646 8.646 8.555 0.091 17896 146 1 . 1 1 36 36 LYS N N 36 115.927 115.927 119.067 -3.140 17896 147 1 . 1 1 36 36 LYS HA H 36 4.603 4.603 4.195 0.408 17896 148 1 . 1 1 36 36 LYS CA C 36 56.284 56.284 56.320 -0.036 17896 149 1 . 1 1 36 36 LYS CB C 36 32.839 32.839 31.212 1.627 17896 150 1 . 1 1 36 36 LYS H H 36 8.125 8.125 7.628 0.497 17896 151 1 . 1 1 37 37 ASN N N 37 114.474 114.474 115.609 -1.135 17896 152 1 . 1 1 37 37 ASN HA H 37 4.734 4.734 4.546 0.188 17896 153 1 . 1 1 37 37 ASN CA C 37 55.434 55.434 54.559 0.875 17896 154 1 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.525 0.279 17896 155 1 . 1 1 37 37 ASN H H 37 8.238 8.238 8.466 -0.228 17896 156 1 . 1 1 38 38 LYS N N 38 115.022 115.022 118.169 -3.147 17896 157 1 . 1 1 38 38 LYS HA H 38 4.464 4.464 4.383 0.081 17896 158 1 . 1 1 38 38 LYS CA C 38 56.614 56.614 58.273 -1.659 17896 159 1 . 1 1 38 38 LYS CB C 38 34.086 34.086 34.918 -0.832 17896 160 1 . 1 1 38 38 LYS H H 38 8.761 8.761 8.435 0.326 17896 161 1 . 1 1 39 39 TYR N N 39 117.018 117.018 114.965 2.053 17896 162 1 . 1 1 39 39 TYR HA H 39 4.710 4.710 4.653 0.057 17896 163 1 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.306 0.071 17896 164 1 . 1 1 39 39 TYR H H 39 7.098 7.098 7.705 -0.607 17896 165 1 . 1 1 40 40 ASN N N 40 123.636 123.636 119.503 4.133 17896 166 1 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.284 0.092 17896 167 1 . 1 1 40 40 ASN H H 40 8.904 8.904 8.559 0.345 17896 168 1 . 1 1 41 41 PRO HA H 41 3.890 3.890 4.442 -0.552 17896 169 1 . 1 1 41 41 PRO CA C 41 63.470 63.470 63.287 0.183 17896 170 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.170 0.291 17896 171 1 . 1 1 42 42 SER N N 42 125.765 125.765 117.781 7.984 17896 172 1 . 1 1 42 42 SER HA H 42 4.571 4.571 4.359 0.212 17896 173 1 . 1 1 42 42 SER CA C 42 58.198 58.198 58.388 -0.190 17896 174 1 . 1 1 42 42 SER H H 42 8.107 8.107 8.364 -0.257 17896 175 1 . 1 1 43 43 LEU N N 43 120.617 120.617 125.337 -4.720 17896 176 1 . 1 1 43 43 LEU HA H 43 4.014 4.014 3.980 0.034 17896 177 1 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.850 0.395 17896 178 1 . 1 1 43 43 LEU H H 43 9.322 9.322 8.818 0.504 17896 179 1 . 1 1 44 44 GLN N N 44 115.972 115.972 118.160 -2.188 17896 180 1 . 1 1 44 44 GLN HA H 44 3.735 3.735 4.080 -0.345 17896 181 1 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.855 2.017 17896 182 1 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.973 1.177 17896 183 1 . 1 1 44 44 GLN H H 44 8.952 8.952 8.495 0.457 17896 184 1 . 1 1 45 45 LEU N N 45 119.443 119.443 117.793 1.650 17896 185 1 . 1 1 45 45 LEU HA H 45 3.660 3.660 4.277 -0.617 17896 186 1 . 1 1 45 45 LEU CA C 45 54.862 54.862 57.034 -2.172 17896 187 1 . 1 1 45 45 LEU H H 45 8.129 8.129 7.604 0.525 17896 188 1 . 1 1 46 46 ALA N N 46 120.485 120.485 122.601 -2.116 17896 189 1 . 1 1 46 46 ALA HA H 46 4.060 4.060 4.043 0.017 17896 190 1 . 1 1 46 46 ALA CA C 46 56.485 56.485 55.064 1.421 17896 191 1 . 1 1 46 46 ALA CB C 46 20.741 20.741 18.092 2.649 17896 192 1 . 1 1 46 46 ALA H H 46 8.531 8.531 8.888 -0.357 17896 193 1 . 1 1 47 47 LEU N N 47 116.554 116.554 118.763 -2.209 17896 194 1 . 1 1 47 47 LEU HA H 47 4.212 4.212 3.943 0.269 17896 195 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.254 0.147 17896 196 1 . 1 1 47 47 LEU H H 47 8.761 8.761 8.307 0.454 17896 197 1 . 1 1 48 48 LYS N N 48 121.029 121.029 119.135 1.894 17896 198 1 . 1 1 48 48 LYS HA H 48 3.681 3.681 4.099 -0.418 17896 199 1 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.482 1.245 17896 200 1 . 1 1 48 48 LYS H H 48 8.068 8.068 7.582 0.486 17896 201 1 . 1 1 49 49 ILE N N 49 120.454 120.454 120.216 0.238 17896 202 1 . 1 1 49 49 ILE HA H 49 3.674 3.674 3.951 -0.277 17896 203 1 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.375 3.727 17896 204 1 . 1 1 49 49 ILE H H 49 8.822 8.822 7.789 1.033 17896 205 1 . 1 1 50 50 ALA N N 50 120.394 120.394 123.313 -2.919 17896 206 1 . 1 1 50 50 ALA HA H 50 4.113 4.113 3.998 0.115 17896 207 1 . 1 1 50 50 ALA CA C 50 56.296 56.296 55.411 0.885 17896 208 1 . 1 1 50 50 ALA CB C 50 18.932 18.932 17.893 1.039 17896 209 1 . 1 1 50 50 ALA H H 50 8.217 8.217 8.935 -0.718 17896 210 1 . 1 1 51 51 TYR N N 51 117.083 117.083 119.010 -1.927 17896 211 1 . 1 1 51 51 TYR HA H 51 4.371 4.371 4.063 0.308 17896 212 1 . 1 1 51 51 TYR CA C 51 62.296 62.296 62.021 0.275 17896 213 1 . 1 1 51 51 TYR H H 51 8.187 8.187 8.089 0.098 17896 214 1 . 1 1 52 52 TYR N N 52 118.569 118.569 117.640 0.929 17896 215 1 . 1 1 52 52 TYR HA H 52 4.309 4.309 4.217 0.092 17896 216 1 . 1 1 52 52 TYR CA C 52 63.752 63.752 61.093 2.659 17896 217 1 . 1 1 52 52 TYR H H 52 9.091 9.091 7.766 1.325 17896 218 1 . 1 1 53 53 LEU N N 53 115.465 115.465 118.429 -2.964 17896 219 1 . 1 1 53 53 LEU HA H 53 4.582 4.582 4.234 0.348 17896 220 1 . 1 1 53 53 LEU CA C 53 55.136 55.136 55.641 -0.505 17896 221 1 . 1 1 53 53 LEU H H 53 8.443 8.443 8.427 0.016 17896 222 1 . 1 1 54 54 ASN N N 54 122.105 122.105 114.665 7.440 17896 223 1 . 1 1 54 54 ASN HA H 54 4.450 4.450 4.349 0.101 17896 224 1 . 1 1 54 54 ASN CA C 54 54.655 54.655 54.798 -0.143 17896 225 1 . 1 1 54 54 ASN CB C 54 38.485 38.485 36.929 1.556 17896 226 1 . 1 1 54 54 ASN H H 54 8.099 8.099 7.768 0.332 17896 227 1 . 1 1 55 55 THR N N 55 114.942 114.942 114.791 0.151 17896 228 1 . 1 1 55 55 THR HA H 55 5.014 5.014 4.670 0.344 17896 229 1 . 1 1 55 55 THR CA C 55 60.889 60.889 60.070 0.819 17896 230 1 . 1 1 55 55 THR CB C 55 75.500 75.500 71.277 4.223 17896 231 1 . 1 1 55 55 THR H H 55 8.277 8.277 8.050 0.227 17896 232 1 . 1 1 56 56 PRO HA H 56 4.579 4.579 4.429 0.150 17896 233 1 . 1 1 56 56 PRO CA C 56 63.276 63.276 62.315 0.961 17896 234 1 . 1 1 56 56 PRO CB C 56 32.235 32.235 32.586 -0.350 17896 235 1 . 1 1 57 57 LEU HA H 57 4.171 4.171 4.019 0.152 17896 236 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.401 2.221 17896 237 1 . 1 1 58 58 GLU N N 58 123.079 123.079 117.093 5.986 17896 238 1 . 1 1 58 58 GLU HA H 58 4.762 4.762 4.126 0.636 17896 239 1 . 1 1 58 58 GLU CA C 58 59.809 59.809 59.225 0.584 17896 240 1 . 1 1 58 58 GLU H H 58 9.387 9.387 8.677 0.710 17896 241 1 . 1 1 59 59 ASP N N 59 117.677 117.677 118.722 -1.045 17896 242 1 . 1 1 59 59 ASP HA H 59 4.590 4.590 4.470 0.120 17896 243 1 . 1 1 59 59 ASP CA C 59 56.625 56.625 56.554 0.071 17896 244 1 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.046 -0.155 17896 245 1 . 1 1 59 59 ASP H H 59 8.035 8.035 8.110 -0.075 17896 246 1 . 1 1 60 60 ILE N N 60 119.506 119.506 113.612 5.894 17896 247 1 . 1 1 60 60 ILE H H 60 8.238 8.238 7.372 0.866 17896 248 1 . 1 1 61 61 PHE N N 61 115.913 115.913 121.944 -6.031 17896 249 1 . 1 1 61 61 PHE H H 61 8.548 8.548 8.520 0.028 17896 250 1 . 1 1 62 62 GLN N N 62 116.558 116.558 120.018 -3.460 17896 251 1 . 1 1 62 62 GLN H H 62 8.808 8.808 7.946 0.862 17896 252 1 . 1 1 63 63 TRP N N 63 125.624 125.624 121.675 3.949 17896 253 1 . 1 1 63 63 TRP H H 63 9.515 9.515 8.072 1.443 17896 254 1 . 1 1 64 64 GLN N N 64 127.215 127.215 118.813 8.402 17896 255 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.845 3.728 17896 256 1 . 1 1 64 64 GLN H H 64 8.023 8.023 8.184 -0.161 17896 257 1 . 1 1 65 65 PRO HA H 65 4.710 4.710 4.363 0.347 17896 258 1 . 1 1 65 65 PRO CA C 65 62.800 62.800 63.515 -0.715 17896 stop_ save_