data_19915 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19915 _Entry.PDB_ID 2MO0 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 19915 _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 LYS N N 2 123.000 123.000 121.981 1.019 19915 2 1 1 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.566 0.016 19915 3 1 1 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.992 0.403 19915 4 1 1 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.294 -0.584 19915 5 1 1 . 1 1 2 2 LYS H H 2 8.628 8.628 8.475 0.153 19915 6 1 1 . 1 1 3 3 LYS N N 3 107.200 107.200 119.672 -12.472 19915 7 1 1 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.530 0.913 19915 8 1 1 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.057 5.657 19915 9 1 1 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.158 -3.758 19915 10 1 1 . 1 1 3 3 LYS H H 3 7.657 7.657 8.352 -0.695 19915 11 1 1 . 1 1 4 4 GLY N N 4 108.916 108.916 110.112 -1.196 19915 12 1 1 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.712 1.373 19915 13 1 1 . 1 1 4 4 GLY H H 4 8.951 8.951 8.733 0.218 19915 14 1 1 . 1 1 5 5 THR N N 5 119.459 119.459 114.072 5.387 19915 15 1 1 . 1 1 5 5 THR HA H 5 5.063 5.063 4.928 0.135 19915 16 1 1 . 1 1 5 5 THR CA C 5 59.310 59.310 60.962 -1.652 19915 17 1 1 . 1 1 5 5 THR CB C 5 72.727 72.727 69.826 2.901 19915 18 1 1 . 1 1 5 5 THR H H 5 8.199 8.199 8.100 0.099 19915 19 1 1 . 1 1 6 6 VAL N N 6 126.647 126.647 123.162 3.485 19915 20 1 1 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.977 -0.447 19915 21 1 1 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.191 4.500 19915 22 1 1 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.764 -1.476 19915 23 1 1 . 1 1 6 6 VAL H H 6 8.818 8.818 8.456 0.362 19915 24 1 1 . 1 1 7 7 LYS N N 7 104.469 104.469 129.636 -25.167 19915 25 1 1 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.495 -0.344 19915 26 1 1 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.518 3.239 19915 27 1 1 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.806 0.171 19915 28 1 1 . 1 1 7 7 LYS H H 7 9.139 9.139 8.157 0.982 19915 29 1 1 . 1 1 8 8 TRP N N 8 110.745 110.745 115.832 -5.087 19915 30 1 1 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.717 -0.137 19915 31 1 1 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.082 0.147 19915 32 1 1 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.563 2.020 19915 33 1 1 . 1 1 8 8 TRP H H 8 7.427 7.427 7.300 0.127 19915 34 1 1 . 1 1 9 9 PHE N N 9 120.922 120.922 125.896 -4.974 19915 35 1 1 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.703 -0.554 19915 36 1 1 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.970 3.411 19915 37 1 1 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.818 2.115 19915 38 1 1 . 1 1 9 9 PHE H H 9 9.247 9.247 8.473 0.774 19915 39 1 1 . 1 1 10 10 ASN N N 10 127.119 127.119 125.277 1.842 19915 40 1 1 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.409 0.540 19915 41 1 1 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.337 0.183 19915 42 1 1 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.752 1.238 19915 43 1 1 . 1 1 10 10 ASN H H 10 8.171 8.171 7.849 0.322 19915 44 1 1 . 1 1 11 11 ALA N N 11 128.949 128.949 128.886 0.063 19915 45 1 1 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.937 0.299 19915 46 1 1 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.442 2.034 19915 47 1 1 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.860 0.580 19915 48 1 1 . 1 1 11 11 ALA H H 11 9.105 9.105 8.416 0.689 19915 49 1 1 . 1 1 12 12 GLU N N 12 117.291 117.291 118.546 -1.255 19915 50 1 1 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.963 0.511 19915 51 1 1 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.666 -0.942 19915 52 1 1 . 1 1 12 12 GLU CB C 12 31.477 31.477 28.973 2.504 19915 53 1 1 . 1 1 12 12 GLU H H 12 8.023 8.023 8.412 -0.389 19915 54 1 1 . 1 1 13 13 LYS N N 13 116.096 116.096 116.262 -0.166 19915 55 1 1 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.269 0.008 19915 56 1 1 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.306 0.980 19915 57 1 1 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.297 1.196 19915 58 1 1 . 1 1 13 13 LYS H H 13 7.437 7.437 7.791 -0.354 19915 59 1 1 . 1 1 14 14 GLY N N 14 107.751 107.751 107.939 -0.188 19915 60 1 1 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.638 2.601 19915 61 1 1 . 1 1 14 14 GLY H H 14 8.185 8.185 7.546 0.639 19915 62 1 1 . 1 1 15 15 TYR N N 15 112.589 112.589 116.712 -4.123 19915 63 1 1 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.703 -0.767 19915 64 1 1 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.131 0.889 19915 65 1 1 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.840 2.234 19915 66 1 1 . 1 1 15 15 TYR H H 15 6.666 6.666 7.623 -0.957 19915 67 1 1 . 1 1 16 16 GLY N N 16 105.623 105.623 105.911 -0.288 19915 68 1 1 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.519 0.440 19915 69 1 1 . 1 1 16 16 GLY H H 16 8.022 8.022 8.567 -0.545 19915 70 1 1 . 1 1 17 17 PHE N N 17 115.128 115.128 117.684 -2.556 19915 71 1 1 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.087 -0.048 19915 72 1 1 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.646 0.863 19915 73 1 1 . 1 1 17 17 PHE CB C 17 46.284 46.284 43.124 3.160 19915 74 1 1 . 1 1 17 17 PHE H H 17 7.810 7.810 7.878 -0.068 19915 75 1 1 . 1 1 18 18 ILE N N 18 121.714 121.714 122.477 -0.763 19915 76 1 1 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.022 0.112 19915 77 1 1 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.771 -0.317 19915 78 1 1 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.006 3.815 19915 79 1 1 . 1 1 18 18 ILE H H 18 9.407 9.407 7.901 1.506 19915 80 1 1 . 1 1 19 19 GLN N N 19 126.901 126.901 122.104 4.797 19915 81 1 1 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.739 -0.584 19915 82 1 1 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.251 7.042 19915 83 1 1 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.869 0.521 19915 84 1 1 . 1 1 19 19 GLN H H 19 9.353 9.353 8.406 0.947 19915 85 1 1 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.594 0.123 19915 86 1 1 . 1 1 21 21 GLU N N 21 123.394 123.394 119.035 4.359 19915 87 1 1 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.066 0.563 19915 88 1 1 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.807 -1.337 19915 89 1 1 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.579 1.801 19915 90 1 1 . 1 1 21 21 GLU H H 21 9.202 9.202 8.778 0.424 19915 91 1 1 . 1 1 22 22 GLU N N 22 117.042 117.042 118.153 -1.111 19915 92 1 1 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.418 0.126 19915 93 1 1 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.812 -2.101 19915 94 1 1 . 1 1 22 22 GLU H H 22 7.989 7.989 8.383 -0.394 19915 95 1 1 . 1 1 23 23 GLY N N 23 107.576 107.576 110.646 -3.070 19915 96 1 1 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.515 1.170 19915 97 1 1 . 1 1 23 23 GLY H H 23 7.672 7.672 8.242 -0.570 19915 98 1 1 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.626 -0.492 19915 99 1 1 . 1 1 24 24 PRO CA C 24 57.854 57.854 64.885 -7.031 19915 100 1 1 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.173 1.869 19915 101 1 1 . 1 1 25 25 ASP N N 25 118.400 118.400 116.856 1.544 19915 102 1 1 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.780 0.016 19915 103 1 1 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.988 2.365 19915 104 1 1 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.899 1.302 19915 105 1 1 . 1 1 25 25 ASP H H 25 7.974 7.974 8.296 -0.322 19915 106 1 1 . 1 1 26 26 VAL N N 26 121.011 121.011 120.974 0.037 19915 107 1 1 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.319 -0.017 19915 108 1 1 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.113 1.740 19915 109 1 1 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.116 0.798 19915 110 1 1 . 1 1 26 26 VAL H H 26 9.319 9.319 8.236 1.083 19915 111 1 1 . 1 1 27 27 PHE N N 27 130.309 130.309 128.172 2.137 19915 112 1 1 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.888 -0.472 19915 113 1 1 . 1 1 27 27 PHE CA C 27 59.329 59.329 56.109 3.220 19915 114 1 1 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.813 0.480 19915 115 1 1 . 1 1 27 27 PHE H H 27 8.575 8.575 8.238 0.337 19915 116 1 1 . 1 1 28 28 VAL N N 28 124.445 124.445 124.034 0.411 19915 117 1 1 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.594 -0.229 19915 118 1 1 . 1 1 28 28 VAL CA C 28 58.593 58.593 58.957 -0.364 19915 119 1 1 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.495 -0.593 19915 120 1 1 . 1 1 28 28 VAL H H 28 7.785 7.785 7.973 -0.188 19915 121 1 1 . 1 1 29 29 HIS N N 29 127.048 127.048 123.429 3.619 19915 122 1 1 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.173 -0.588 19915 123 1 1 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.775 2.716 19915 124 1 1 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.874 1.057 19915 125 1 1 . 1 1 29 29 HIS H H 29 8.538 8.538 8.207 0.331 19915 126 1 1 . 1 1 30 30 PHE N N 30 123.381 123.381 120.885 2.496 19915 127 1 1 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.727 -0.808 19915 128 1 1 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.277 0.594 19915 129 1 1 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.033 -0.721 19915 130 1 1 . 1 1 30 30 PHE H H 30 8.331 8.331 8.896 -0.565 19915 131 1 1 . 1 1 31 31 THR N N 31 117.402 117.402 108.350 9.052 19915 132 1 1 . 1 1 31 31 THR HA H 31 3.656 3.656 3.934 -0.278 19915 133 1 1 . 1 1 31 31 THR CA C 31 60.891 60.891 61.466 -0.575 19915 134 1 1 . 1 1 31 31 THR CB C 31 63.467 63.467 68.022 -4.555 19915 135 1 1 . 1 1 31 31 THR H H 31 7.606 7.606 7.871 -0.265 19915 136 1 1 . 1 1 32 32 ALA N N 32 124.423 124.423 122.666 1.757 19915 137 1 1 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.660 -0.269 19915 138 1 1 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.404 2.066 19915 139 1 1 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.762 0.957 19915 140 1 1 . 1 1 32 32 ALA H H 32 8.045 8.045 7.894 0.151 19915 141 1 1 . 1 1 33 33 ILE N N 33 119.413 119.413 119.531 -0.118 19915 142 1 1 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.035 -0.153 19915 143 1 1 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.847 1.783 19915 144 1 1 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.482 0.309 19915 145 1 1 . 1 1 33 33 ILE H H 33 7.471 7.471 7.316 0.155 19915 146 1 1 . 1 1 34 34 GLU N N 34 127.220 127.220 127.960 -0.740 19915 147 1 1 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.624 -0.318 19915 148 1 1 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.142 1.149 19915 149 1 1 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.264 0.646 19915 150 1 1 . 1 1 34 34 GLU H H 34 8.973 8.973 8.474 0.499 19915 151 1 1 . 1 1 35 35 ALA N N 35 119.122 119.122 124.320 -5.198 19915 152 1 1 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.549 0.073 19915 153 1 1 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.037 3.113 19915 154 1 1 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.040 -1.213 19915 155 1 1 . 1 1 35 35 ALA H H 35 7.557 7.557 7.860 -0.303 19915 156 1 1 . 1 1 36 36 ASP N N 36 121.814 121.814 121.862 -0.048 19915 157 1 1 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.727 -0.152 19915 158 1 1 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.342 1.640 19915 159 1 1 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.553 2.138 19915 160 1 1 . 1 1 36 36 ASP H H 36 8.582 8.582 8.634 -0.052 19915 161 1 1 . 1 1 37 37 GLY N N 37 109.101 109.101 109.828 -0.727 19915 162 1 1 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.737 1.371 19915 163 1 1 . 1 1 37 37 GLY H H 37 8.297 8.297 7.711 0.586 19915 164 1 1 . 1 1 38 38 PHE N N 38 121.524 121.524 124.348 -2.824 19915 165 1 1 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.636 -0.586 19915 166 1 1 . 1 1 38 38 PHE CA C 38 59.050 59.050 56.685 2.365 19915 167 1 1 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.465 -0.192 19915 168 1 1 . 1 1 38 38 PHE H H 38 7.972 7.972 8.284 -0.312 19915 169 1 1 . 1 1 40 40 THR HA H 40 3.776 3.776 3.852 -0.076 19915 170 1 1 . 1 1 40 40 THR CA C 40 57.432 57.432 61.303 -3.872 19915 171 1 1 . 1 1 40 40 THR CB C 40 64.914 64.914 70.302 -5.388 19915 172 1 1 . 1 1 40 40 THR H H 40 7.370 7.370 7.726 -0.356 19915 173 1 1 . 1 1 41 41 LEU N N 41 119.141 119.141 120.933 -1.792 19915 174 1 1 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.542 -0.109 19915 175 1 1 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.205 0.416 19915 176 1 1 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.762 2.912 19915 177 1 1 . 1 1 41 41 LEU H H 41 5.887 5.887 7.186 -1.299 19915 178 1 1 . 1 1 42 42 ASN N N 42 119.111 119.111 118.670 0.441 19915 179 1 1 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.903 0.045 19915 180 1 1 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.339 1.200 19915 181 1 1 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.126 2.692 19915 182 1 1 . 1 1 42 42 ASN H H 42 8.211 8.211 8.340 -0.129 19915 183 1 1 . 1 1 43 43 GLU N N 43 121.200 121.200 124.984 -3.784 19915 184 1 1 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.945 -0.386 19915 185 1 1 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.240 0.908 19915 186 1 1 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.523 0.599 19915 187 1 1 . 1 1 43 43 GLU H H 43 8.662 8.662 9.016 -0.354 19915 188 1 1 . 1 1 44 44 GLY N N 44 114.013 114.013 114.986 -0.973 19915 189 1 1 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.869 1.172 19915 190 1 1 . 1 1 44 44 GLY H H 44 9.091 9.091 8.574 0.517 19915 191 1 1 . 1 1 45 45 GLU N N 45 121.040 121.040 121.086 -0.046 19915 192 1 1 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.748 -0.576 19915 193 1 1 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.102 3.251 19915 194 1 1 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.215 -1.193 19915 195 1 1 . 1 1 45 45 GLU H H 45 7.760 7.760 7.955 -0.195 19915 196 1 1 . 1 1 46 46 HIS N N 46 126.336 126.336 120.068 6.268 19915 197 1 1 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.693 0.320 19915 198 1 1 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.127 1.405 19915 199 1 1 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.574 3.117 19915 200 1 1 . 1 1 46 46 HIS H H 46 8.785 8.785 8.149 0.636 19915 201 1 1 . 1 1 47 47 VAL N N 47 115.822 115.822 114.321 1.501 19915 202 1 1 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.920 0.435 19915 203 1 1 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.569 -0.867 19915 204 1 1 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.540 2.090 19915 205 1 1 . 1 1 47 47 VAL H H 47 8.605 8.605 8.897 -0.292 19915 206 1 1 . 1 1 48 48 GLU N N 48 114.820 114.820 125.224 -10.404 19915 207 1 1 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.896 -0.255 19915 208 1 1 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.712 1.982 19915 209 1 1 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.135 -5.233 19915 210 1 1 . 1 1 48 48 GLU H H 48 9.124 9.124 8.374 0.750 19915 211 1 1 . 1 1 49 49 PHE N N 49 117.334 117.334 123.271 -5.937 19915 212 1 1 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.605 -0.378 19915 213 1 1 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.541 2.799 19915 214 1 1 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.341 -1.211 19915 215 1 1 . 1 1 49 49 PHE H H 49 8.663 8.663 8.619 0.044 19915 216 1 1 . 1 1 50 50 GLU N N 50 110.733 110.733 122.638 -11.905 19915 217 1 1 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.559 0.503 19915 218 1 1 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.514 6.466 19915 219 1 1 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.594 0.606 19915 220 1 1 . 1 1 50 50 GLU H H 50 8.979 8.979 8.529 0.450 19915 221 1 1 . 1 1 51 51 VAL N N 51 121.323 121.323 121.210 0.113 19915 222 1 1 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.756 -0.058 19915 223 1 1 . 1 1 51 51 VAL CA C 51 62.093 62.093 61.664 0.429 19915 224 1 1 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.803 7.839 19915 225 1 1 . 1 1 51 51 VAL H H 51 8.694 8.694 8.355 0.339 19915 226 1 1 . 1 1 52 52 GLU N N 52 127.810 127.810 128.881 -1.071 19915 227 1 1 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.923 -0.245 19915 228 1 1 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.601 2.281 19915 229 1 1 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.165 0.196 19915 230 1 1 . 1 1 52 52 GLU H H 52 9.189 9.189 8.238 0.951 19915 231 1 1 . 1 1 54 54 GLY H H 54 9.310 9.310 8.564 0.746 19915 232 1 1 . 1 1 55 55 ARG N N 55 118.520 118.520 120.143 -1.623 19915 233 1 1 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.569 -0.049 19915 234 1 1 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.832 3.149 19915 235 1 1 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.818 1.426 19915 236 1 1 . 1 1 55 55 ARG H H 55 8.772 8.772 8.176 0.596 19915 237 1 1 . 1 1 56 56 GLY N N 56 112.512 112.512 107.271 5.241 19915 238 1 1 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.197 1.094 19915 239 1 1 . 1 1 56 56 GLY H H 56 7.742 7.742 7.689 0.053 19915 240 1 1 . 1 1 57 57 GLY N N 57 123.924 123.924 109.663 14.261 19915 241 1 1 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.180 -1.657 19915 242 1 1 . 1 1 57 57 GLY H H 57 8.634 8.634 8.310 0.324 19915 243 1 1 . 1 1 58 58 LYS N N 58 115.021 115.021 118.355 -3.334 19915 244 1 1 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.329 0.009 19915 245 1 1 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.375 -0.302 19915 246 1 1 . 1 1 58 58 LYS CB C 58 32.932 32.932 32.887 0.045 19915 247 1 1 . 1 1 58 58 LYS H H 58 8.417 8.417 7.700 0.717 19915 248 1 1 . 1 1 59 59 GLY N N 59 108.720 108.720 106.644 2.076 19915 249 1 1 . 1 1 59 59 GLY CA C 59 45.092 45.092 44.899 0.193 19915 250 1 1 . 1 1 59 59 GLY H H 59 7.423 7.423 7.521 -0.098 19915 251 1 1 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.889 -0.018 19915 252 1 1 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.624 0.564 19915 253 1 1 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.190 1.700 19915 254 1 1 . 1 1 61 61 GLN N N 61 125.701 125.701 125.322 0.379 19915 255 1 1 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.076 0.104 19915 256 1 1 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.307 -1.435 19915 257 1 1 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.789 -9.536 19915 258 1 1 . 1 1 61 61 GLN H H 61 8.794 8.794 8.102 0.692 19915 259 1 1 . 1 1 62 62 ALA N N 62 122.421 122.421 126.521 -4.100 19915 260 1 1 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.505 0.544 19915 261 1 1 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.895 0.046 19915 262 1 1 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.167 3.753 19915 263 1 1 . 1 1 62 62 ALA H H 62 8.898 8.898 8.660 0.238 19915 264 1 1 . 1 1 63 63 LYS N N 63 109.000 109.000 119.296 -10.296 19915 265 1 1 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.950 0.662 19915 266 1 1 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.727 -4.506 19915 267 1 1 . 1 1 63 63 LYS H H 63 9.279 9.279 8.078 1.201 19915 268 1 1 . 1 1 64 64 LYS N N 64 116.512 116.512 118.044 -1.532 19915 269 1 1 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.493 -0.364 19915 270 1 1 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.373 -0.102 19915 271 1 1 . 1 1 64 64 LYS CB C 64 38.800 38.800 34.038 4.762 19915 272 1 1 . 1 1 64 64 LYS H H 64 9.248 9.248 7.387 1.861 19915 273 1 1 . 1 1 65 65 VAL N N 65 118.120 118.120 124.968 -6.848 19915 274 1 1 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.214 -0.566 19915 275 1 1 . 1 1 65 65 VAL CA C 65 64.231 64.231 59.946 4.285 19915 276 1 1 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.248 -2.976 19915 277 1 1 . 1 1 65 65 VAL H H 65 8.162 8.162 8.162 -0.000 19915 278 1 1 . 1 1 66 66 ARG N N 66 120.932 120.932 124.997 -4.065 19915 279 1 1 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.813 -0.050 19915 280 1 1 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.815 6.578 19915 281 1 1 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.576 -2.064 19915 282 1 1 . 1 1 66 66 ARG H H 66 9.023 9.023 8.917 0.106 19915 283 1 1 . 1 1 67 67 ARG N N 67 119.710 119.710 124.601 -4.891 19915 284 1 1 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.233 0.394 19915 285 1 1 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.493 3.898 19915 286 1 1 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.352 4.181 19915 287 1 1 . 1 1 67 67 ARG H H 67 8.798 8.798 8.545 0.253 19915 288 1 2 . 1 1 2 2 LYS N N 2 123.000 123.000 122.281 0.719 19915 289 1 2 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.571 0.011 19915 290 1 2 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.265 1.130 19915 291 1 2 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.763 -1.053 19915 292 1 2 . 1 1 2 2 LYS H H 2 8.628 8.628 8.644 -0.016 19915 293 1 2 . 1 1 3 3 LYS N N 3 107.200 107.200 119.411 -12.211 19915 294 1 2 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.718 0.725 19915 295 1 2 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.059 5.655 19915 296 1 2 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.051 -3.651 19915 297 1 2 . 1 1 3 3 LYS H H 3 7.657 7.657 8.561 -0.904 19915 298 1 2 . 1 1 4 4 GLY N N 4 108.916 108.916 110.097 -1.181 19915 299 1 2 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.710 1.375 19915 300 1 2 . 1 1 4 4 GLY H H 4 8.951 8.951 8.749 0.202 19915 301 1 2 . 1 1 5 5 THR N N 5 119.459 119.459 114.205 5.254 19915 302 1 2 . 1 1 5 5 THR HA H 5 5.063 5.063 4.881 0.182 19915 303 1 2 . 1 1 5 5 THR CA C 5 59.310 59.310 61.182 -1.872 19915 304 1 2 . 1 1 5 5 THR CB C 5 72.727 72.727 69.654 3.073 19915 305 1 2 . 1 1 5 5 THR H H 5 8.199 8.199 8.101 0.098 19915 306 1 2 . 1 1 6 6 VAL N N 6 126.647 126.647 123.034 3.613 19915 307 1 2 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.971 -0.441 19915 308 1 2 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.224 4.465 19915 309 1 2 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.698 -1.410 19915 310 1 2 . 1 1 6 6 VAL H H 6 8.818 8.818 8.420 0.398 19915 311 1 2 . 1 1 7 7 LYS N N 7 104.469 104.469 129.674 -25.205 19915 312 1 2 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.447 -0.296 19915 313 1 2 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.032 2.725 19915 314 1 2 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.672 0.305 19915 315 1 2 . 1 1 7 7 LYS H H 7 9.139 9.139 8.146 0.993 19915 316 1 2 . 1 1 8 8 TRP N N 8 110.745 110.745 116.769 -6.024 19915 317 1 2 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.714 -0.134 19915 318 1 2 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.688 0.541 19915 319 1 2 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.379 1.204 19915 320 1 2 . 1 1 8 8 TRP H H 8 7.427 7.427 7.227 0.200 19915 321 1 2 . 1 1 9 9 PHE N N 9 120.922 120.922 124.869 -3.947 19915 322 1 2 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.728 -0.579 19915 323 1 2 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.863 3.518 19915 324 1 2 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.513 1.420 19915 325 1 2 . 1 1 9 9 PHE H H 9 9.247 9.247 8.601 0.646 19915 326 1 2 . 1 1 10 10 ASN N N 10 127.119 127.119 125.948 1.171 19915 327 1 2 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.405 0.544 19915 328 1 2 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.797 -0.277 19915 329 1 2 . 1 1 10 10 ASN CB C 10 39.990 39.990 37.975 2.015 19915 330 1 2 . 1 1 10 10 ASN H H 10 8.171 8.171 8.213 -0.042 19915 331 1 2 . 1 1 11 11 ALA N N 11 128.949 128.949 128.696 0.253 19915 332 1 2 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.146 0.090 19915 333 1 2 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.741 1.735 19915 334 1 2 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.962 0.478 19915 335 1 2 . 1 1 11 11 ALA H H 11 9.105 9.105 8.478 0.627 19915 336 1 2 . 1 1 12 12 GLU N N 12 117.291 117.291 118.928 -1.637 19915 337 1 2 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.072 0.402 19915 338 1 2 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.340 -0.616 19915 339 1 2 . 1 1 12 12 GLU CB C 12 31.477 31.477 30.040 1.437 19915 340 1 2 . 1 1 12 12 GLU H H 12 8.023 8.023 7.997 0.026 19915 341 1 2 . 1 1 13 13 LYS N N 13 116.096 116.096 115.493 0.603 19915 342 1 2 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.345 -0.068 19915 343 1 2 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.263 1.022 19915 344 1 2 . 1 1 13 13 LYS CB C 13 34.493 34.493 34.020 0.473 19915 345 1 2 . 1 1 13 13 LYS H H 13 7.437 7.437 8.192 -0.755 19915 346 1 2 . 1 1 14 14 GLY N N 14 107.751 107.751 107.257 0.494 19915 347 1 2 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.923 2.316 19915 348 1 2 . 1 1 14 14 GLY H H 14 8.185 8.185 7.929 0.256 19915 349 1 2 . 1 1 15 15 TYR N N 15 112.589 112.589 115.621 -3.032 19915 350 1 2 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.314 -0.378 19915 351 1 2 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.517 0.503 19915 352 1 2 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.053 3.022 19915 353 1 2 . 1 1 15 15 TYR H H 15 6.666 6.666 7.592 -0.926 19915 354 1 2 . 1 1 16 16 GLY N N 16 105.623 105.623 108.348 -2.725 19915 355 1 2 . 1 1 16 16 GLY CA C 16 45.959 45.959 44.104 1.855 19915 356 1 2 . 1 1 16 16 GLY H H 16 8.022 8.022 8.824 -0.802 19915 357 1 2 . 1 1 17 17 PHE N N 17 115.128 115.128 116.512 -1.384 19915 358 1 2 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.021 0.018 19915 359 1 2 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.564 0.945 19915 360 1 2 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.739 3.545 19915 361 1 2 . 1 1 17 17 PHE H H 17 7.810 7.810 7.741 0.069 19915 362 1 2 . 1 1 18 18 ILE N N 18 121.714 121.714 122.265 -0.551 19915 363 1 2 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.028 0.106 19915 364 1 2 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.770 -0.316 19915 365 1 2 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.225 3.595 19915 366 1 2 . 1 1 18 18 ILE H H 18 9.407 9.407 7.992 1.415 19915 367 1 2 . 1 1 19 19 GLN N N 19 126.901 126.901 122.438 4.463 19915 368 1 2 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.756 -0.601 19915 369 1 2 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.361 6.933 19915 370 1 2 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.534 0.856 19915 371 1 2 . 1 1 19 19 GLN H H 19 9.353 9.353 8.481 0.872 19915 372 1 2 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.536 0.181 19915 373 1 2 . 1 1 21 21 GLU N N 21 123.394 123.394 118.705 4.689 19915 374 1 2 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.088 0.541 19915 375 1 2 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.666 -1.196 19915 376 1 2 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.650 1.730 19915 377 1 2 . 1 1 21 21 GLU H H 21 9.202 9.202 8.820 0.382 19915 378 1 2 . 1 1 22 22 GLU N N 22 117.042 117.042 117.083 -0.041 19915 379 1 2 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.407 0.137 19915 380 1 2 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.118 -1.407 19915 381 1 2 . 1 1 22 22 GLU H H 22 7.989 7.989 8.113 -0.124 19915 382 1 2 . 1 1 23 23 GLY N N 23 107.576 107.576 111.255 -3.679 19915 383 1 2 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.942 1.743 19915 384 1 2 . 1 1 23 23 GLY H H 23 7.672 7.672 8.009 -0.337 19915 385 1 2 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.402 -0.268 19915 386 1 2 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.560 -5.706 19915 387 1 2 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.640 1.402 19915 388 1 2 . 1 1 25 25 ASP N N 25 118.400 118.400 118.493 -0.093 19915 389 1 2 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.616 0.180 19915 390 1 2 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.463 1.890 19915 391 1 2 . 1 1 25 25 ASP CB C 25 42.201 42.201 41.363 0.838 19915 392 1 2 . 1 1 25 25 ASP H H 25 7.974 7.974 8.288 -0.314 19915 393 1 2 . 1 1 26 26 VAL N N 26 121.011 121.011 123.516 -2.505 19915 394 1 2 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.560 -0.258 19915 395 1 2 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.113 1.740 19915 396 1 2 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.579 1.335 19915 397 1 2 . 1 1 26 26 VAL H H 26 9.319 9.319 8.232 1.087 19915 398 1 2 . 1 1 27 27 PHE N N 27 130.309 130.309 128.127 2.182 19915 399 1 2 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.279 -0.863 19915 400 1 2 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.557 3.772 19915 401 1 2 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.434 0.859 19915 402 1 2 . 1 1 27 27 PHE H H 27 8.575 8.575 8.302 0.273 19915 403 1 2 . 1 1 28 28 VAL N N 28 124.445 124.445 120.204 4.241 19915 404 1 2 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.813 -0.448 19915 405 1 2 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.701 -1.108 19915 406 1 2 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.650 -0.748 19915 407 1 2 . 1 1 28 28 VAL H H 28 7.785 7.785 8.242 -0.457 19915 408 1 2 . 1 1 29 29 HIS N N 29 127.048 127.048 123.353 3.695 19915 409 1 2 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.325 -0.740 19915 410 1 2 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.654 1.837 19915 411 1 2 . 1 1 29 29 HIS CB C 29 34.931 34.931 34.179 0.752 19915 412 1 2 . 1 1 29 29 HIS H H 29 8.538 8.538 8.564 -0.026 19915 413 1 2 . 1 1 30 30 PHE N N 30 123.381 123.381 120.298 3.083 19915 414 1 2 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.857 -0.938 19915 415 1 2 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.085 0.786 19915 416 1 2 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.045 -0.733 19915 417 1 2 . 1 1 30 30 PHE H H 30 8.331 8.331 8.923 -0.592 19915 418 1 2 . 1 1 31 31 THR N N 31 117.402 117.402 113.163 4.239 19915 419 1 2 . 1 1 31 31 THR HA H 31 3.656 3.656 3.977 -0.321 19915 420 1 2 . 1 1 31 31 THR CA C 31 60.891 60.891 61.800 -0.909 19915 421 1 2 . 1 1 31 31 THR CB C 31 63.467 63.467 67.203 -3.736 19915 422 1 2 . 1 1 31 31 THR H H 31 7.606 7.606 7.945 -0.339 19915 423 1 2 . 1 1 32 32 ALA N N 32 124.423 124.423 121.537 2.886 19915 424 1 2 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.691 -0.300 19915 425 1 2 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.312 2.158 19915 426 1 2 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.862 0.858 19915 427 1 2 . 1 1 32 32 ALA H H 32 8.045 8.045 7.824 0.221 19915 428 1 2 . 1 1 33 33 ILE N N 33 119.413 119.413 120.096 -0.683 19915 429 1 2 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.072 -0.190 19915 430 1 2 . 1 1 33 33 ILE CA C 33 63.630 63.630 62.011 1.619 19915 431 1 2 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.789 0.002 19915 432 1 2 . 1 1 33 33 ILE H H 33 7.471 7.471 7.375 0.096 19915 433 1 2 . 1 1 34 34 GLU N N 34 127.220 127.220 127.326 -0.106 19915 434 1 2 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.615 -0.309 19915 435 1 2 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.264 1.028 19915 436 1 2 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.546 0.364 19915 437 1 2 . 1 1 34 34 GLU H H 34 8.973 8.973 8.246 0.727 19915 438 1 2 . 1 1 35 35 ALA N N 35 119.122 119.122 124.428 -5.306 19915 439 1 2 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.546 0.076 19915 440 1 2 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.205 2.946 19915 441 1 2 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.973 -1.146 19915 442 1 2 . 1 1 35 35 ALA H H 35 7.557 7.557 7.874 -0.317 19915 443 1 2 . 1 1 36 36 ASP N N 36 121.814 121.814 120.806 1.008 19915 444 1 2 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.667 -0.092 19915 445 1 2 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.624 2.358 19915 446 1 2 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.794 1.897 19915 447 1 2 . 1 1 36 36 ASP H H 36 8.582 8.582 8.616 -0.034 19915 448 1 2 . 1 1 37 37 GLY N N 37 109.101 109.101 111.491 -2.390 19915 449 1 2 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.525 1.583 19915 450 1 2 . 1 1 37 37 GLY H H 37 8.297 8.297 7.715 0.582 19915 451 1 2 . 1 1 38 38 PHE N N 38 121.524 121.524 125.121 -3.597 19915 452 1 2 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.427 -0.377 19915 453 1 2 . 1 1 38 38 PHE CA C 38 59.050 59.050 58.160 0.890 19915 454 1 2 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.070 0.203 19915 455 1 2 . 1 1 38 38 PHE H H 38 7.972 7.972 8.489 -0.517 19915 456 1 2 . 1 1 40 40 THR HA H 40 3.776 3.776 3.969 -0.193 19915 457 1 2 . 1 1 40 40 THR CA C 40 57.432 57.432 59.539 -2.107 19915 458 1 2 . 1 1 40 40 THR CB C 40 64.914 64.914 71.202 -6.288 19915 459 1 2 . 1 1 40 40 THR H H 40 7.370 7.370 7.996 -0.626 19915 460 1 2 . 1 1 41 41 LEU N N 41 119.141 119.141 117.988 1.153 19915 461 1 2 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.430 0.003 19915 462 1 2 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.125 0.496 19915 463 1 2 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.967 2.707 19915 464 1 2 . 1 1 41 41 LEU H H 41 5.887 5.887 6.970 -1.083 19915 465 1 2 . 1 1 42 42 ASN N N 42 119.111 119.111 118.734 0.377 19915 466 1 2 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.880 0.068 19915 467 1 2 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.307 1.232 19915 468 1 2 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.134 2.684 19915 469 1 2 . 1 1 42 42 ASN H H 42 8.211 8.211 8.394 -0.183 19915 470 1 2 . 1 1 43 43 GLU N N 43 121.200 121.200 124.985 -3.785 19915 471 1 2 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.924 -0.365 19915 472 1 2 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.201 0.947 19915 473 1 2 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.488 0.634 19915 474 1 2 . 1 1 43 43 GLU H H 43 8.662 8.662 9.014 -0.352 19915 475 1 2 . 1 1 44 44 GLY N N 44 114.013 114.013 115.746 -1.733 19915 476 1 2 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.786 1.255 19915 477 1 2 . 1 1 44 44 GLY H H 44 9.091 9.091 8.648 0.443 19915 478 1 2 . 1 1 45 45 GLU N N 45 121.040 121.040 120.381 0.659 19915 479 1 2 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.596 -0.424 19915 480 1 2 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.162 3.191 19915 481 1 2 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.326 -1.304 19915 482 1 2 . 1 1 45 45 GLU H H 45 7.760 7.760 7.947 -0.187 19915 483 1 2 . 1 1 46 46 HIS N N 46 126.336 126.336 120.201 6.135 19915 484 1 2 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.663 0.350 19915 485 1 2 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.071 1.461 19915 486 1 2 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.624 3.067 19915 487 1 2 . 1 1 46 46 HIS H H 46 8.785 8.785 8.203 0.582 19915 488 1 2 . 1 1 47 47 VAL N N 47 115.822 115.822 115.495 0.327 19915 489 1 2 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.882 0.473 19915 490 1 2 . 1 1 47 47 VAL CA C 47 59.702 59.702 59.919 -0.217 19915 491 1 2 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.054 2.576 19915 492 1 2 . 1 1 47 47 VAL H H 47 8.605 8.605 8.764 -0.159 19915 493 1 2 . 1 1 48 48 GLU N N 48 114.820 114.820 125.205 -10.385 19915 494 1 2 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.927 -0.286 19915 495 1 2 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.612 2.082 19915 496 1 2 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.153 -5.251 19915 497 1 2 . 1 1 48 48 GLU H H 48 9.124 9.124 8.407 0.717 19915 498 1 2 . 1 1 49 49 PHE N N 49 117.334 117.334 123.122 -5.788 19915 499 1 2 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.577 -0.350 19915 500 1 2 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.614 2.726 19915 501 1 2 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.519 -1.389 19915 502 1 2 . 1 1 49 49 PHE H H 49 8.663 8.663 8.688 -0.025 19915 503 1 2 . 1 1 50 50 GLU N N 50 110.733 110.733 122.066 -11.333 19915 504 1 2 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.674 0.388 19915 505 1 2 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.464 6.516 19915 506 1 2 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.941 0.259 19915 507 1 2 . 1 1 50 50 GLU H H 50 8.979 8.979 8.536 0.443 19915 508 1 2 . 1 1 51 51 VAL N N 51 121.323 121.323 120.864 0.459 19915 509 1 2 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.619 0.079 19915 510 1 2 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.881 -0.788 19915 511 1 2 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.253 7.389 19915 512 1 2 . 1 1 51 51 VAL H H 51 8.694 8.694 8.341 0.353 19915 513 1 2 . 1 1 52 52 GLU N N 52 127.810 127.810 128.833 -1.023 19915 514 1 2 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.951 -0.273 19915 515 1 2 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.292 2.590 19915 516 1 2 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.673 -0.312 19915 517 1 2 . 1 1 52 52 GLU H H 52 9.189 9.189 8.255 0.934 19915 518 1 2 . 1 1 54 54 GLY H H 54 9.310 9.310 8.622 0.688 19915 519 1 2 . 1 1 55 55 ARG N N 55 118.520 118.520 120.286 -1.766 19915 520 1 2 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.498 0.022 19915 521 1 2 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.728 3.253 19915 522 1 2 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.319 0.925 19915 523 1 2 . 1 1 55 55 ARG H H 55 8.772 8.772 7.901 0.871 19915 524 1 2 . 1 1 56 56 GLY N N 56 112.512 112.512 107.787 4.725 19915 525 1 2 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.630 0.661 19915 526 1 2 . 1 1 56 56 GLY H H 56 7.742 7.742 7.636 0.106 19915 527 1 2 . 1 1 57 57 GLY N N 57 123.924 123.924 109.193 14.731 19915 528 1 2 . 1 1 57 57 GLY CA C 57 45.523 45.523 46.848 -1.325 19915 529 1 2 . 1 1 57 57 GLY H H 57 8.634 8.634 8.208 0.426 19915 530 1 2 . 1 1 58 58 LYS N N 58 115.021 115.021 119.292 -4.271 19915 531 1 2 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.484 -0.146 19915 532 1 2 . 1 1 58 58 LYS CA C 58 56.073 56.073 57.416 -1.343 19915 533 1 2 . 1 1 58 58 LYS CB C 58 32.932 32.932 34.779 -1.847 19915 534 1 2 . 1 1 58 58 LYS H H 58 8.417 8.417 8.347 0.070 19915 535 1 2 . 1 1 59 59 GLY N N 59 108.720 108.720 107.297 1.423 19915 536 1 2 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.313 -0.221 19915 537 1 2 . 1 1 59 59 GLY H H 59 7.423 7.423 7.753 -0.330 19915 538 1 2 . 1 1 60 60 PRO HA H 60 4.871 4.871 5.000 -0.129 19915 539 1 2 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.661 0.527 19915 540 1 2 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.131 1.759 19915 541 1 2 . 1 1 61 61 GLN N N 61 125.701 125.701 123.160 2.541 19915 542 1 2 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.194 -0.014 19915 543 1 2 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.224 -1.352 19915 544 1 2 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.183 -8.930 19915 545 1 2 . 1 1 61 61 GLN H H 61 8.794 8.794 8.174 0.620 19915 546 1 2 . 1 1 62 62 ALA N N 62 122.421 122.421 121.818 0.603 19915 547 1 2 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.685 0.364 19915 548 1 2 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.521 0.420 19915 549 1 2 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.742 3.178 19915 550 1 2 . 1 1 62 62 ALA H H 62 8.898 8.898 8.437 0.461 19915 551 1 2 . 1 1 63 63 LYS N N 63 109.000 109.000 120.005 -11.005 19915 552 1 2 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.980 0.632 19915 553 1 2 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.794 -4.573 19915 554 1 2 . 1 1 63 63 LYS H H 63 9.279 9.279 8.141 1.138 19915 555 1 2 . 1 1 64 64 LYS N N 64 116.512 116.512 117.917 -1.405 19915 556 1 2 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.564 -0.435 19915 557 1 2 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.295 -0.024 19915 558 1 2 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.620 5.180 19915 559 1 2 . 1 1 64 64 LYS H H 64 9.248 9.248 7.402 1.846 19915 560 1 2 . 1 1 65 65 VAL N N 65 118.120 118.120 125.460 -7.340 19915 561 1 2 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.175 -0.527 19915 562 1 2 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.317 3.914 19915 563 1 2 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.537 -3.265 19915 564 1 2 . 1 1 65 65 VAL H H 65 8.162 8.162 8.267 -0.105 19915 565 1 2 . 1 1 66 66 ARG N N 66 120.932 120.932 125.072 -4.140 19915 566 1 2 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.862 -0.099 19915 567 1 2 . 1 1 66 66 ARG CA C 66 60.393 60.393 54.030 6.363 19915 568 1 2 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.504 -1.992 19915 569 1 2 . 1 1 66 66 ARG H H 66 9.023 9.023 9.007 0.016 19915 570 1 2 . 1 1 67 67 ARG N N 67 119.710 119.710 123.796 -4.086 19915 571 1 2 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.180 0.447 19915 572 1 2 . 1 1 67 67 ARG CA C 67 60.391 60.391 57.329 3.062 19915 573 1 2 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.787 3.746 19915 574 1 2 . 1 1 67 67 ARG H H 67 8.798 8.798 8.554 0.244 19915 575 1 3 . 1 1 2 2 LYS N N 2 123.000 123.000 122.652 0.348 19915 576 1 3 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.651 -0.069 19915 577 1 3 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.867 0.528 19915 578 1 3 . 1 1 2 2 LYS CB C 2 34.710 34.710 36.899 -2.189 19915 579 1 3 . 1 1 2 2 LYS H H 2 8.628 8.628 8.749 -0.121 19915 580 1 3 . 1 1 3 3 LYS N N 3 107.200 107.200 119.592 -12.392 19915 581 1 3 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.654 0.789 19915 582 1 3 . 1 1 3 3 LYS CA C 3 60.714 60.714 54.932 5.782 19915 583 1 3 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.460 -3.060 19915 584 1 3 . 1 1 3 3 LYS H H 3 7.657 7.657 8.231 -0.574 19915 585 1 3 . 1 1 4 4 GLY N N 4 108.916 108.916 110.325 -1.409 19915 586 1 3 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.616 1.469 19915 587 1 3 . 1 1 4 4 GLY H H 4 8.951 8.951 8.752 0.199 19915 588 1 3 . 1 1 5 5 THR N N 5 119.459 119.459 114.165 5.294 19915 589 1 3 . 1 1 5 5 THR HA H 5 5.063 5.063 4.920 0.143 19915 590 1 3 . 1 1 5 5 THR CA C 5 59.310 59.310 60.789 -1.479 19915 591 1 3 . 1 1 5 5 THR CB C 5 72.727 72.727 70.059 2.668 19915 592 1 3 . 1 1 5 5 THR H H 5 8.199 8.199 8.100 0.099 19915 593 1 3 . 1 1 6 6 VAL N N 6 126.647 126.647 122.485 4.162 19915 594 1 3 . 1 1 6 6 VAL HA H 6 3.530 3.530 4.005 -0.475 19915 595 1 3 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.088 4.602 19915 596 1 3 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.562 -1.274 19915 597 1 3 . 1 1 6 6 VAL H H 6 8.818 8.818 8.598 0.220 19915 598 1 3 . 1 1 7 7 LYS N N 7 104.469 104.469 129.250 -24.781 19915 599 1 3 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.473 -0.322 19915 600 1 3 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.322 2.435 19915 601 1 3 . 1 1 7 7 LYS CB C 7 34.977 34.977 35.095 -0.118 19915 602 1 3 . 1 1 7 7 LYS H H 7 9.139 9.139 8.210 0.929 19915 603 1 3 . 1 1 8 8 TRP N N 8 110.745 110.745 117.229 -6.484 19915 604 1 3 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.735 -0.155 19915 605 1 3 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.221 0.008 19915 606 1 3 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.866 1.717 19915 607 1 3 . 1 1 8 8 TRP H H 8 7.427 7.427 7.435 -0.008 19915 608 1 3 . 1 1 9 9 PHE N N 9 120.922 120.922 126.002 -5.080 19915 609 1 3 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.690 -0.541 19915 610 1 3 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.979 3.402 19915 611 1 3 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.894 2.039 19915 612 1 3 . 1 1 9 9 PHE H H 9 9.247 9.247 8.572 0.675 19915 613 1 3 . 1 1 10 10 ASN N N 10 127.119 127.119 125.775 1.344 19915 614 1 3 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.491 0.458 19915 615 1 3 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.924 -0.404 19915 616 1 3 . 1 1 10 10 ASN CB C 10 39.990 39.990 37.747 2.243 19915 617 1 3 . 1 1 10 10 ASN H H 10 8.171 8.171 7.957 0.213 19915 618 1 3 . 1 1 11 11 ALA N N 11 128.949 128.949 127.981 0.968 19915 619 1 3 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.090 0.146 19915 620 1 3 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.413 1.063 19915 621 1 3 . 1 1 11 11 ALA CB C 11 19.440 19.440 19.069 0.371 19915 622 1 3 . 1 1 11 11 ALA H H 11 9.105 9.105 8.250 0.855 19915 623 1 3 . 1 1 12 12 GLU N N 12 117.291 117.291 118.032 -0.741 19915 624 1 3 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.047 0.427 19915 625 1 3 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.830 -1.105 19915 626 1 3 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.222 2.255 19915 627 1 3 . 1 1 12 12 GLU H H 12 8.023 8.023 8.490 -0.467 19915 628 1 3 . 1 1 13 13 LYS N N 13 116.096 116.096 116.117 -0.021 19915 629 1 3 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.268 0.009 19915 630 1 3 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.181 1.105 19915 631 1 3 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.417 1.076 19915 632 1 3 . 1 1 13 13 LYS H H 13 7.437 7.437 8.036 -0.599 19915 633 1 3 . 1 1 14 14 GLY N N 14 107.751 107.751 106.971 0.780 19915 634 1 3 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.969 2.269 19915 635 1 3 . 1 1 14 14 GLY H H 14 8.185 8.185 7.878 0.307 19915 636 1 3 . 1 1 15 15 TYR N N 15 112.589 112.589 116.414 -3.825 19915 637 1 3 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.452 -0.516 19915 638 1 3 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.251 0.769 19915 639 1 3 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.518 2.556 19915 640 1 3 . 1 1 15 15 TYR H H 15 6.666 6.666 7.543 -0.877 19915 641 1 3 . 1 1 16 16 GLY N N 16 105.623 105.623 105.613 0.010 19915 642 1 3 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.340 0.619 19915 643 1 3 . 1 1 16 16 GLY H H 16 8.022 8.022 8.530 -0.508 19915 644 1 3 . 1 1 17 17 PHE N N 17 115.128 115.128 117.239 -2.111 19915 645 1 3 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.053 -0.014 19915 646 1 3 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.596 0.913 19915 647 1 3 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.775 3.509 19915 648 1 3 . 1 1 17 17 PHE H H 17 7.810 7.810 7.753 0.057 19915 649 1 3 . 1 1 18 18 ILE N N 18 121.714 121.714 122.208 -0.494 19915 650 1 3 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.067 0.067 19915 651 1 3 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.772 -0.318 19915 652 1 3 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.132 3.689 19915 653 1 3 . 1 1 18 18 ILE H H 18 9.407 9.407 7.905 1.502 19915 654 1 3 . 1 1 19 19 GLN N N 19 126.901 126.901 122.790 4.111 19915 655 1 3 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.728 -0.573 19915 656 1 3 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.435 6.858 19915 657 1 3 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.403 0.987 19915 658 1 3 . 1 1 19 19 GLN H H 19 9.353 9.353 8.305 1.048 19915 659 1 3 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.464 0.253 19915 660 1 3 . 1 1 21 21 GLU N N 21 123.394 123.394 118.776 4.618 19915 661 1 3 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.117 0.512 19915 662 1 3 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.832 -1.362 19915 663 1 3 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.726 1.654 19915 664 1 3 . 1 1 21 21 GLU H H 21 9.202 9.202 8.843 0.359 19915 665 1 3 . 1 1 22 22 GLU N N 22 117.042 117.042 116.930 0.112 19915 666 1 3 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.416 0.128 19915 667 1 3 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.006 -1.295 19915 668 1 3 . 1 1 22 22 GLU H H 22 7.989 7.989 8.138 -0.149 19915 669 1 3 . 1 1 23 23 GLY N N 23 107.576 107.576 109.852 -2.276 19915 670 1 3 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.827 1.858 19915 671 1 3 . 1 1 23 23 GLY H H 23 7.672 7.672 8.007 -0.335 19915 672 1 3 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.428 -0.294 19915 673 1 3 . 1 1 24 24 PRO CA C 24 57.854 57.854 64.072 -6.218 19915 674 1 3 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.300 1.742 19915 675 1 3 . 1 1 25 25 ASP N N 25 118.400 118.400 116.247 2.153 19915 676 1 3 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.699 0.097 19915 677 1 3 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.944 2.409 19915 678 1 3 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.973 1.228 19915 679 1 3 . 1 1 25 25 ASP H H 25 7.974 7.974 8.261 -0.287 19915 680 1 3 . 1 1 26 26 VAL N N 26 121.011 121.011 121.066 -0.055 19915 681 1 3 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.545 -0.243 19915 682 1 3 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.270 1.583 19915 683 1 3 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.843 1.071 19915 684 1 3 . 1 1 26 26 VAL H H 26 9.319 9.319 8.134 1.185 19915 685 1 3 . 1 1 27 27 PHE N N 27 130.309 130.309 128.013 2.296 19915 686 1 3 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.961 -0.545 19915 687 1 3 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.342 3.987 19915 688 1 3 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.409 0.884 19915 689 1 3 . 1 1 27 27 PHE H H 27 8.575 8.575 8.248 0.327 19915 690 1 3 . 1 1 28 28 VAL N N 28 124.445 124.445 122.170 2.275 19915 691 1 3 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.817 -0.452 19915 692 1 3 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.971 -1.378 19915 693 1 3 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.471 -0.569 19915 694 1 3 . 1 1 28 28 VAL H H 28 7.785 7.785 8.393 -0.608 19915 695 1 3 . 1 1 29 29 HIS N N 29 127.048 127.048 123.260 3.788 19915 696 1 3 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.314 -0.729 19915 697 1 3 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.595 1.896 19915 698 1 3 . 1 1 29 29 HIS CB C 29 34.931 34.931 34.057 0.874 19915 699 1 3 . 1 1 29 29 HIS H H 29 8.538 8.538 8.523 0.015 19915 700 1 3 . 1 1 30 30 PHE N N 30 123.381 123.381 120.639 2.742 19915 701 1 3 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.804 -0.885 19915 702 1 3 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.329 0.542 19915 703 1 3 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.861 -0.548 19915 704 1 3 . 1 1 30 30 PHE H H 30 8.331 8.331 8.952 -0.621 19915 705 1 3 . 1 1 31 31 THR N N 31 117.402 117.402 112.752 4.650 19915 706 1 3 . 1 1 31 31 THR HA H 31 3.656 3.656 3.941 -0.285 19915 707 1 3 . 1 1 31 31 THR CA C 31 60.891 60.891 62.772 -1.881 19915 708 1 3 . 1 1 31 31 THR CB C 31 63.467 63.467 67.585 -4.118 19915 709 1 3 . 1 1 31 31 THR H H 31 7.606 7.606 7.836 -0.230 19915 710 1 3 . 1 1 32 32 ALA N N 32 124.423 124.423 121.617 2.806 19915 711 1 3 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.643 -0.252 19915 712 1 3 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.254 2.216 19915 713 1 3 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.910 0.810 19915 714 1 3 . 1 1 32 32 ALA H H 32 8.045 8.045 7.844 0.201 19915 715 1 3 . 1 1 33 33 ILE N N 33 119.413 119.413 119.598 -0.185 19915 716 1 3 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.078 -0.196 19915 717 1 3 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.880 1.750 19915 718 1 3 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.517 0.274 19915 719 1 3 . 1 1 33 33 ILE H H 33 7.471 7.471 7.362 0.109 19915 720 1 3 . 1 1 34 34 GLU N N 34 127.220 127.220 127.687 -0.467 19915 721 1 3 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.607 -0.301 19915 722 1 3 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.226 1.065 19915 723 1 3 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.252 0.658 19915 724 1 3 . 1 1 34 34 GLU H H 34 8.973 8.973 8.483 0.490 19915 725 1 3 . 1 1 35 35 ALA N N 35 119.122 119.122 124.659 -5.537 19915 726 1 3 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.562 0.060 19915 727 1 3 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.433 2.717 19915 728 1 3 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.976 -1.149 19915 729 1 3 . 1 1 35 35 ALA H H 35 7.557 7.557 7.839 -0.282 19915 730 1 3 . 1 1 36 36 ASP N N 36 121.814 121.814 122.073 -0.259 19915 731 1 3 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.792 -0.217 19915 732 1 3 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.022 1.960 19915 733 1 3 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.675 2.016 19915 734 1 3 . 1 1 36 36 ASP H H 36 8.582 8.582 8.611 -0.029 19915 735 1 3 . 1 1 37 37 GLY N N 37 109.101 109.101 109.580 -0.479 19915 736 1 3 . 1 1 37 37 GLY CA C 37 46.108 46.108 45.008 1.100 19915 737 1 3 . 1 1 37 37 GLY H H 37 8.297 8.297 7.697 0.600 19915 738 1 3 . 1 1 38 38 PHE N N 38 121.524 121.524 124.601 -3.077 19915 739 1 3 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.686 -0.636 19915 740 1 3 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.746 1.304 19915 741 1 3 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.911 -0.638 19915 742 1 3 . 1 1 38 38 PHE H H 38 7.972 7.972 8.552 -0.580 19915 743 1 3 . 1 1 40 40 THR HA H 40 3.776 3.776 3.730 0.046 19915 744 1 3 . 1 1 40 40 THR CA C 40 57.432 57.432 60.914 -3.482 19915 745 1 3 . 1 1 40 40 THR CB C 40 64.914 64.914 70.495 -5.581 19915 746 1 3 . 1 1 40 40 THR H H 40 7.370 7.370 7.822 -0.452 19915 747 1 3 . 1 1 41 41 LEU N N 41 119.141 119.141 120.057 -0.916 19915 748 1 3 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.507 -0.074 19915 749 1 3 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.136 0.485 19915 750 1 3 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.438 3.236 19915 751 1 3 . 1 1 41 41 LEU H H 41 5.887 5.887 6.888 -1.001 19915 752 1 3 . 1 1 42 42 ASN N N 42 119.111 119.111 118.452 0.659 19915 753 1 3 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.875 0.073 19915 754 1 3 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.263 1.276 19915 755 1 3 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.901 2.917 19915 756 1 3 . 1 1 42 42 ASN H H 42 8.211 8.211 8.310 -0.099 19915 757 1 3 . 1 1 43 43 GLU N N 43 121.200 121.200 124.826 -3.626 19915 758 1 3 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.932 -0.373 19915 759 1 3 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.239 0.909 19915 760 1 3 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.523 0.600 19915 761 1 3 . 1 1 43 43 GLU H H 43 8.662 8.662 9.003 -0.341 19915 762 1 3 . 1 1 44 44 GLY N N 44 114.013 114.013 115.010 -0.997 19915 763 1 3 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.882 1.159 19915 764 1 3 . 1 1 44 44 GLY H H 44 9.091 9.091 8.589 0.502 19915 765 1 3 . 1 1 45 45 GLU N N 45 121.040 121.040 121.092 -0.052 19915 766 1 3 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.789 -0.617 19915 767 1 3 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.153 3.200 19915 768 1 3 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.230 -1.208 19915 769 1 3 . 1 1 45 45 GLU H H 45 7.760 7.760 7.943 -0.183 19915 770 1 3 . 1 1 46 46 HIS N N 46 126.336 126.336 120.021 6.315 19915 771 1 3 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.823 0.190 19915 772 1 3 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.120 1.412 19915 773 1 3 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.664 3.027 19915 774 1 3 . 1 1 46 46 HIS H H 46 8.785 8.785 8.218 0.567 19915 775 1 3 . 1 1 47 47 VAL N N 47 115.822 115.822 114.275 1.547 19915 776 1 3 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.952 0.403 19915 777 1 3 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.601 -0.899 19915 778 1 3 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.539 2.091 19915 779 1 3 . 1 1 47 47 VAL H H 47 8.605 8.605 8.894 -0.289 19915 780 1 3 . 1 1 48 48 GLU N N 48 114.820 114.820 125.098 -10.278 19915 781 1 3 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.935 -0.294 19915 782 1 3 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.722 1.972 19915 783 1 3 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.239 -5.337 19915 784 1 3 . 1 1 48 48 GLU H H 48 9.124 9.124 8.418 0.706 19915 785 1 3 . 1 1 49 49 PHE N N 49 117.334 117.334 123.182 -5.848 19915 786 1 3 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.571 -0.344 19915 787 1 3 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.590 2.750 19915 788 1 3 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.445 -1.315 19915 789 1 3 . 1 1 49 49 PHE H H 49 8.663 8.663 8.705 -0.042 19915 790 1 3 . 1 1 50 50 GLU N N 50 110.733 110.733 121.907 -11.174 19915 791 1 3 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.605 0.457 19915 792 1 3 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.641 6.339 19915 793 1 3 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.952 0.248 19915 794 1 3 . 1 1 50 50 GLU H H 50 8.979 8.979 8.565 0.414 19915 795 1 3 . 1 1 51 51 VAL N N 51 121.323 121.323 126.178 -4.855 19915 796 1 3 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.420 0.278 19915 797 1 3 . 1 1 51 51 VAL CA C 51 62.093 62.093 63.889 -1.796 19915 798 1 3 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.033 7.609 19915 799 1 3 . 1 1 51 51 VAL H H 51 8.694 8.694 8.377 0.317 19915 800 1 3 . 1 1 52 52 GLU N N 52 127.810 127.810 128.673 -0.863 19915 801 1 3 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.862 -0.184 19915 802 1 3 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.437 2.445 19915 803 1 3 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.666 -0.305 19915 804 1 3 . 1 1 52 52 GLU H H 52 9.189 9.189 8.189 1.000 19915 805 1 3 . 1 1 54 54 GLY H H 54 9.310 9.310 8.488 0.822 19915 806 1 3 . 1 1 55 55 ARG N N 55 118.520 118.520 120.312 -1.792 19915 807 1 3 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.531 -0.011 19915 808 1 3 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.560 3.421 19915 809 1 3 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.676 1.568 19915 810 1 3 . 1 1 55 55 ARG H H 55 8.772 8.772 7.919 0.853 19915 811 1 3 . 1 1 56 56 GLY N N 56 112.512 112.512 107.703 4.809 19915 812 1 3 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.641 0.650 19915 813 1 3 . 1 1 56 56 GLY H H 56 7.742 7.742 7.630 0.112 19915 814 1 3 . 1 1 57 57 GLY N N 57 123.924 123.924 109.336 14.588 19915 815 1 3 . 1 1 57 57 GLY CA C 57 45.523 45.523 46.885 -1.362 19915 816 1 3 . 1 1 57 57 GLY H H 57 8.634 8.634 8.195 0.439 19915 817 1 3 . 1 1 58 58 LYS N N 58 115.021 115.021 118.711 -3.690 19915 818 1 3 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.574 -0.236 19915 819 1 3 . 1 1 58 58 LYS CA C 58 56.073 56.073 57.617 -1.544 19915 820 1 3 . 1 1 58 58 LYS CB C 58 32.932 32.932 34.270 -1.338 19915 821 1 3 . 1 1 58 58 LYS H H 58 8.417 8.417 8.341 0.076 19915 822 1 3 . 1 1 59 59 GLY N N 59 108.720 108.720 106.812 1.908 19915 823 1 3 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.185 -0.093 19915 824 1 3 . 1 1 59 59 GLY H H 59 7.423 7.423 7.648 -0.225 19915 825 1 3 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.998 -0.127 19915 826 1 3 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.637 0.551 19915 827 1 3 . 1 1 60 60 PRO CB C 60 32.890 32.890 30.960 1.930 19915 828 1 3 . 1 1 61 61 GLN N N 61 125.701 125.701 123.132 2.569 19915 829 1 3 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.210 -0.030 19915 830 1 3 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.149 -1.277 19915 831 1 3 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.186 -8.933 19915 832 1 3 . 1 1 61 61 GLN H H 61 8.794 8.794 8.159 0.635 19915 833 1 3 . 1 1 62 62 ALA N N 62 122.421 122.421 121.918 0.503 19915 834 1 3 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.654 0.395 19915 835 1 3 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.464 0.477 19915 836 1 3 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.764 3.156 19915 837 1 3 . 1 1 62 62 ALA H H 62 8.898 8.898 8.508 0.390 19915 838 1 3 . 1 1 63 63 LYS N N 63 109.000 109.000 120.134 -11.134 19915 839 1 3 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.906 0.706 19915 840 1 3 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.808 -4.587 19915 841 1 3 . 1 1 63 63 LYS H H 63 9.279 9.279 8.191 1.088 19915 842 1 3 . 1 1 64 64 LYS N N 64 116.512 116.512 118.062 -1.550 19915 843 1 3 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.499 -0.370 19915 844 1 3 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.275 -0.004 19915 845 1 3 . 1 1 64 64 LYS CB C 64 38.800 38.800 34.041 4.759 19915 846 1 3 . 1 1 64 64 LYS H H 64 9.248 9.248 7.402 1.845 19915 847 1 3 . 1 1 65 65 VAL N N 65 118.120 118.120 125.688 -7.568 19915 848 1 3 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.253 -0.605 19915 849 1 3 . 1 1 65 65 VAL CA C 65 64.231 64.231 59.956 4.274 19915 850 1 3 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.337 -3.065 19915 851 1 3 . 1 1 65 65 VAL H H 65 8.162 8.162 8.297 -0.135 19915 852 1 3 . 1 1 66 66 ARG N N 66 120.932 120.932 124.648 -3.716 19915 853 1 3 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.851 -0.088 19915 854 1 3 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.809 6.584 19915 855 1 3 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.619 -2.107 19915 856 1 3 . 1 1 66 66 ARG H H 66 9.023 9.023 8.981 0.042 19915 857 1 3 . 1 1 67 67 ARG N N 67 119.710 119.710 124.814 -5.104 19915 858 1 3 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.206 0.421 19915 859 1 3 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.946 3.445 19915 860 1 3 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.695 3.838 19915 861 1 3 . 1 1 67 67 ARG H H 67 8.798 8.798 8.563 0.235 19915 862 1 4 . 1 1 2 2 LYS N N 2 123.000 123.000 121.046 1.954 19915 863 1 4 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.563 0.019 19915 864 1 4 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.783 0.612 19915 865 1 4 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.633 -0.923 19915 866 1 4 . 1 1 2 2 LYS H H 2 8.628 8.628 8.187 0.441 19915 867 1 4 . 1 1 3 3 LYS N N 3 107.200 107.200 119.675 -12.475 19915 868 1 4 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.599 0.844 19915 869 1 4 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.096 5.618 19915 870 1 4 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.873 -3.473 19915 871 1 4 . 1 1 3 3 LYS H H 3 7.657 7.657 8.400 -0.743 19915 872 1 4 . 1 1 4 4 GLY N N 4 108.916 108.916 110.313 -1.397 19915 873 1 4 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.714 1.371 19915 874 1 4 . 1 1 4 4 GLY H H 4 8.951 8.951 8.754 0.197 19915 875 1 4 . 1 1 5 5 THR N N 5 119.459 119.459 114.060 5.399 19915 876 1 4 . 1 1 5 5 THR HA H 5 5.063 5.063 4.967 0.096 19915 877 1 4 . 1 1 5 5 THR CA C 5 59.310 59.310 60.950 -1.640 19915 878 1 4 . 1 1 5 5 THR CB C 5 72.727 72.727 70.128 2.599 19915 879 1 4 . 1 1 5 5 THR H H 5 8.199 8.199 8.138 0.061 19915 880 1 4 . 1 1 6 6 VAL N N 6 126.647 126.647 122.068 4.579 19915 881 1 4 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.971 -0.441 19915 882 1 4 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.262 4.428 19915 883 1 4 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.380 -1.092 19915 884 1 4 . 1 1 6 6 VAL H H 6 8.818 8.818 8.378 0.440 19915 885 1 4 . 1 1 7 7 LYS N N 7 104.469 104.469 129.385 -24.916 19915 886 1 4 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.462 -0.311 19915 887 1 4 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.648 2.109 19915 888 1 4 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.936 0.041 19915 889 1 4 . 1 1 7 7 LYS H H 7 9.139 9.139 8.175 0.964 19915 890 1 4 . 1 1 8 8 TRP N N 8 110.745 110.745 117.231 -6.486 19915 891 1 4 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.735 -0.155 19915 892 1 4 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.221 0.008 19915 893 1 4 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.624 0.959 19915 894 1 4 . 1 1 8 8 TRP H H 8 7.427 7.427 7.328 0.099 19915 895 1 4 . 1 1 9 9 PHE N N 9 120.922 120.922 125.839 -4.917 19915 896 1 4 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.862 -0.713 19915 897 1 4 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.685 3.696 19915 898 1 4 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.860 2.073 19915 899 1 4 . 1 1 9 9 PHE H H 9 9.247 9.247 8.580 0.667 19915 900 1 4 . 1 1 10 10 ASN N N 10 127.119 127.119 125.994 1.125 19915 901 1 4 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.657 0.292 19915 902 1 4 . 1 1 10 10 ASN CA C 10 52.520 52.520 53.029 -0.509 19915 903 1 4 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.373 0.617 19915 904 1 4 . 1 1 10 10 ASN H H 10 8.171 8.171 8.374 -0.203 19915 905 1 4 . 1 1 11 11 ALA N N 11 128.949 128.949 128.414 0.535 19915 906 1 4 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.802 0.434 19915 907 1 4 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.824 1.652 19915 908 1 4 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.787 0.653 19915 909 1 4 . 1 1 11 11 ALA H H 11 9.105 9.105 8.612 0.493 19915 910 1 4 . 1 1 12 12 GLU N N 12 117.291 117.291 119.079 -1.788 19915 911 1 4 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.987 0.487 19915 912 1 4 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.669 -0.945 19915 913 1 4 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.706 1.771 19915 914 1 4 . 1 1 12 12 GLU H H 12 8.023 8.023 8.108 -0.085 19915 915 1 4 . 1 1 13 13 LYS N N 13 116.096 116.096 115.562 0.534 19915 916 1 4 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.125 0.152 19915 917 1 4 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.456 0.829 19915 918 1 4 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.373 1.120 19915 919 1 4 . 1 1 13 13 LYS H H 13 7.437 7.437 7.899 -0.462 19915 920 1 4 . 1 1 14 14 GLY N N 14 107.751 107.751 105.233 2.518 19915 921 1 4 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.935 2.304 19915 922 1 4 . 1 1 14 14 GLY H H 14 8.185 8.185 7.403 0.782 19915 923 1 4 . 1 1 15 15 TYR N N 15 112.589 112.589 118.689 -6.100 19915 924 1 4 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.734 -0.798 19915 925 1 4 . 1 1 15 15 TYR CA C 15 56.020 56.020 56.047 -0.027 19915 926 1 4 . 1 1 15 15 TYR CB C 15 43.074 43.074 42.120 0.954 19915 927 1 4 . 1 1 15 15 TYR H H 15 6.666 6.666 7.720 -1.054 19915 928 1 4 . 1 1 16 16 GLY N N 16 105.623 105.623 105.805 -0.182 19915 929 1 4 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.506 0.453 19915 930 1 4 . 1 1 16 16 GLY H H 16 8.022 8.022 8.809 -0.787 19915 931 1 4 . 1 1 17 17 PHE N N 17 115.128 115.128 117.058 -1.930 19915 932 1 4 . 1 1 17 17 PHE HA H 17 5.039 5.039 4.944 0.095 19915 933 1 4 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.451 1.058 19915 934 1 4 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.852 3.432 19915 935 1 4 . 1 1 17 17 PHE H H 17 7.810 7.810 7.923 -0.113 19915 936 1 4 . 1 1 18 18 ILE N N 18 121.714 121.714 122.369 -0.655 19915 937 1 4 . 1 1 18 18 ILE HA H 18 4.134 4.134 3.962 0.172 19915 938 1 4 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.855 -0.401 19915 939 1 4 . 1 1 18 18 ILE CB C 18 42.821 42.821 38.958 3.863 19915 940 1 4 . 1 1 18 18 ILE H H 18 9.407 9.407 8.051 1.356 19915 941 1 4 . 1 1 19 19 GLN N N 19 126.901 126.901 125.112 1.789 19915 942 1 4 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.769 -0.614 19915 943 1 4 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.612 6.681 19915 944 1 4 . 1 1 19 19 GLN CB C 19 31.390 31.390 29.895 1.495 19915 945 1 4 . 1 1 19 19 GLN H H 19 9.353 9.353 8.507 0.846 19915 946 1 4 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.342 0.375 19915 947 1 4 . 1 1 21 21 GLU N N 21 123.394 123.394 118.641 4.753 19915 948 1 4 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.073 0.556 19915 949 1 4 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.889 -1.419 19915 950 1 4 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.509 1.871 19915 951 1 4 . 1 1 21 21 GLU H H 21 9.202 9.202 8.758 0.444 19915 952 1 4 . 1 1 22 22 GLU N N 22 117.042 117.042 118.253 -1.211 19915 953 1 4 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.383 0.161 19915 954 1 4 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.917 -1.206 19915 955 1 4 . 1 1 22 22 GLU H H 22 7.989 7.989 8.232 -0.243 19915 956 1 4 . 1 1 23 23 GLY N N 23 107.576 107.576 110.562 -2.986 19915 957 1 4 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.825 1.859 19915 958 1 4 . 1 1 23 23 GLY H H 23 7.672 7.672 8.055 -0.383 19915 959 1 4 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.451 -0.317 19915 960 1 4 . 1 1 24 24 PRO CA C 24 57.854 57.854 64.145 -6.291 19915 961 1 4 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.745 1.297 19915 962 1 4 . 1 1 25 25 ASP N N 25 118.400 118.400 116.782 1.618 19915 963 1 4 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.765 0.031 19915 964 1 4 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.794 2.559 19915 965 1 4 . 1 1 25 25 ASP CB C 25 42.201 42.201 41.072 1.129 19915 966 1 4 . 1 1 25 25 ASP H H 25 7.974 7.974 8.252 -0.278 19915 967 1 4 . 1 1 26 26 VAL N N 26 121.011 121.011 120.950 0.061 19915 968 1 4 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.567 -0.265 19915 969 1 4 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.148 1.705 19915 970 1 4 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.144 0.770 19915 971 1 4 . 1 1 26 26 VAL H H 26 9.319 9.319 8.301 1.018 19915 972 1 4 . 1 1 27 27 PHE N N 27 130.309 130.309 127.925 2.384 19915 973 1 4 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.128 -0.712 19915 974 1 4 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.334 3.995 19915 975 1 4 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.673 0.620 19915 976 1 4 . 1 1 27 27 PHE H H 27 8.575 8.575 8.357 0.218 19915 977 1 4 . 1 1 28 28 VAL N N 28 124.445 124.445 124.274 0.171 19915 978 1 4 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.542 -0.177 19915 979 1 4 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.017 -0.424 19915 980 1 4 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.472 -0.570 19915 981 1 4 . 1 1 28 28 VAL H H 28 7.785 7.785 8.295 -0.510 19915 982 1 4 . 1 1 29 29 HIS N N 29 127.048 127.048 122.878 4.170 19915 983 1 4 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.388 -0.803 19915 984 1 4 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.450 3.042 19915 985 1 4 . 1 1 29 29 HIS CB C 29 34.931 34.931 32.931 2.000 19915 986 1 4 . 1 1 29 29 HIS H H 29 8.538 8.538 8.024 0.514 19915 987 1 4 . 1 1 30 30 PHE N N 30 123.381 123.381 120.642 2.739 19915 988 1 4 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.684 -0.765 19915 989 1 4 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.957 -0.086 19915 990 1 4 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.927 -0.615 19915 991 1 4 . 1 1 30 30 PHE H H 30 8.331 8.331 8.983 -0.652 19915 992 1 4 . 1 1 31 31 THR N N 31 117.402 117.402 113.678 3.724 19915 993 1 4 . 1 1 31 31 THR HA H 31 3.656 3.656 3.979 -0.323 19915 994 1 4 . 1 1 31 31 THR CA C 31 60.891 60.891 62.094 -1.203 19915 995 1 4 . 1 1 31 31 THR CB C 31 63.467 63.467 67.057 -3.590 19915 996 1 4 . 1 1 31 31 THR H H 31 7.606 7.606 7.581 0.025 19915 997 1 4 . 1 1 32 32 ALA N N 32 124.423 124.423 122.865 1.558 19915 998 1 4 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.552 -0.161 19915 999 1 4 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.366 2.104 19915 1000 1 4 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.888 0.832 19915 1001 1 4 . 1 1 32 32 ALA H H 32 8.045 8.045 8.040 0.005 19915 1002 1 4 . 1 1 33 33 ILE N N 33 119.413 119.413 119.795 -0.382 19915 1003 1 4 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.058 -0.176 19915 1004 1 4 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.425 2.205 19915 1005 1 4 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.441 0.350 19915 1006 1 4 . 1 1 33 33 ILE H H 33 7.471 7.471 7.293 0.178 19915 1007 1 4 . 1 1 34 34 GLU N N 34 127.220 127.220 128.475 -1.255 19915 1008 1 4 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.507 -0.201 19915 1009 1 4 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.201 1.090 19915 1010 1 4 . 1 1 34 34 GLU CB C 34 29.910 29.910 28.542 1.368 19915 1011 1 4 . 1 1 34 34 GLU H H 34 8.973 8.973 8.260 0.713 19915 1012 1 4 . 1 1 35 35 ALA N N 35 119.122 119.122 124.613 -5.491 19915 1013 1 4 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.570 0.052 19915 1014 1 4 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.014 3.136 19915 1015 1 4 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.126 -1.299 19915 1016 1 4 . 1 1 35 35 ALA H H 35 7.557 7.557 7.506 0.051 19915 1017 1 4 . 1 1 36 36 ASP N N 36 121.814 121.814 122.212 -0.398 19915 1018 1 4 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.698 -0.123 19915 1019 1 4 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.055 1.927 19915 1020 1 4 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.750 1.941 19915 1021 1 4 . 1 1 36 36 ASP H H 36 8.582 8.582 8.664 -0.082 19915 1022 1 4 . 1 1 37 37 GLY N N 37 109.101 109.101 110.024 -0.923 19915 1023 1 4 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.602 1.506 19915 1024 1 4 . 1 1 37 37 GLY H H 37 8.297 8.297 7.809 0.488 19915 1025 1 4 . 1 1 38 38 PHE N N 38 121.524 121.524 125.707 -4.183 19915 1026 1 4 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.419 -0.369 19915 1027 1 4 . 1 1 38 38 PHE CA C 38 59.050 59.050 58.308 0.742 19915 1028 1 4 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.285 -0.012 19915 1029 1 4 . 1 1 38 38 PHE H H 38 7.972 7.972 8.554 -0.582 19915 1030 1 4 . 1 1 40 40 THR HA H 40 3.776 3.776 4.179 -0.403 19915 1031 1 4 . 1 1 40 40 THR CA C 40 57.432 57.432 61.180 -3.748 19915 1032 1 4 . 1 1 40 40 THR CB C 40 64.914 64.914 70.282 -5.368 19915 1033 1 4 . 1 1 40 40 THR H H 40 7.370 7.370 8.151 -0.781 19915 1034 1 4 . 1 1 41 41 LEU N N 41 119.141 119.141 122.197 -3.056 19915 1035 1 4 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.498 -0.065 19915 1036 1 4 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.120 0.501 19915 1037 1 4 . 1 1 41 41 LEU CB C 41 46.674 46.674 44.209 2.465 19915 1038 1 4 . 1 1 41 41 LEU H H 41 5.887 5.887 7.669 -1.782 19915 1039 1 4 . 1 1 42 42 ASN N N 42 119.111 119.111 119.386 -0.275 19915 1040 1 4 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.942 0.006 19915 1041 1 4 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.409 1.130 19915 1042 1 4 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.182 2.636 19915 1043 1 4 . 1 1 42 42 ASN H H 42 8.211 8.211 8.576 -0.365 19915 1044 1 4 . 1 1 43 43 GLU N N 43 121.200 121.200 125.198 -3.998 19915 1045 1 4 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.972 -0.413 19915 1046 1 4 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.165 0.983 19915 1047 1 4 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.470 0.652 19915 1048 1 4 . 1 1 43 43 GLU H H 43 8.662 8.662 9.065 -0.403 19915 1049 1 4 . 1 1 44 44 GLY N N 44 114.013 114.013 115.769 -1.756 19915 1050 1 4 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.695 1.346 19915 1051 1 4 . 1 1 44 44 GLY H H 44 9.091 9.091 8.612 0.479 19915 1052 1 4 . 1 1 45 45 GLU N N 45 121.040 121.040 120.463 0.577 19915 1053 1 4 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.585 -0.413 19915 1054 1 4 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.205 3.148 19915 1055 1 4 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.249 -1.227 19915 1056 1 4 . 1 1 45 45 GLU H H 45 7.760 7.760 7.927 -0.167 19915 1057 1 4 . 1 1 46 46 HIS N N 46 126.336 126.336 120.108 6.228 19915 1058 1 4 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.668 0.345 19915 1059 1 4 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.118 1.414 19915 1060 1 4 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.648 3.043 19915 1061 1 4 . 1 1 46 46 HIS H H 46 8.785 8.785 8.134 0.651 19915 1062 1 4 . 1 1 47 47 VAL N N 47 115.822 115.822 114.832 0.990 19915 1063 1 4 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.856 0.499 19915 1064 1 4 . 1 1 47 47 VAL CA C 47 59.702 59.702 61.054 -1.352 19915 1065 1 4 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.791 1.839 19915 1066 1 4 . 1 1 47 47 VAL H H 47 8.605 8.605 8.846 -0.241 19915 1067 1 4 . 1 1 48 48 GLU N N 48 114.820 114.820 124.954 -10.134 19915 1068 1 4 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.980 -0.339 19915 1069 1 4 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.805 1.889 19915 1070 1 4 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.149 -5.247 19915 1071 1 4 . 1 1 48 48 GLU H H 48 9.124 9.124 8.385 0.739 19915 1072 1 4 . 1 1 49 49 PHE N N 49 117.334 117.334 123.321 -5.987 19915 1073 1 4 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.645 -0.418 19915 1074 1 4 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.534 2.806 19915 1075 1 4 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.508 -1.378 19915 1076 1 4 . 1 1 49 49 PHE H H 49 8.663 8.663 8.720 -0.057 19915 1077 1 4 . 1 1 50 50 GLU N N 50 110.733 110.733 122.131 -11.398 19915 1078 1 4 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.727 0.335 19915 1079 1 4 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.725 6.255 19915 1080 1 4 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.027 0.173 19915 1081 1 4 . 1 1 50 50 GLU H H 50 8.979 8.979 8.493 0.486 19915 1082 1 4 . 1 1 51 51 VAL N N 51 121.323 121.323 120.354 0.969 19915 1083 1 4 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.723 -0.025 19915 1084 1 4 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.576 -0.483 19915 1085 1 4 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.111 7.532 19915 1086 1 4 . 1 1 51 51 VAL H H 51 8.694 8.694 8.380 0.314 19915 1087 1 4 . 1 1 52 52 GLU N N 52 127.810 127.810 128.966 -1.156 19915 1088 1 4 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.954 -0.276 19915 1089 1 4 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.759 2.123 19915 1090 1 4 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.471 -0.110 19915 1091 1 4 . 1 1 52 52 GLU H H 52 9.189 9.189 8.243 0.946 19915 1092 1 4 . 1 1 54 54 GLY H H 54 9.310 9.310 8.675 0.635 19915 1093 1 4 . 1 1 55 55 ARG N N 55 118.520 118.520 120.517 -1.997 19915 1094 1 4 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.508 0.012 19915 1095 1 4 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.900 3.081 19915 1096 1 4 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.370 0.875 19915 1097 1 4 . 1 1 55 55 ARG H H 55 8.772 8.772 8.032 0.740 19915 1098 1 4 . 1 1 56 56 GLY N N 56 112.512 112.512 106.951 5.561 19915 1099 1 4 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.130 1.161 19915 1100 1 4 . 1 1 56 56 GLY H H 56 7.742 7.742 7.662 0.080 19915 1101 1 4 . 1 1 57 57 GLY N N 57 123.924 123.924 109.676 14.248 19915 1102 1 4 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.393 -1.870 19915 1103 1 4 . 1 1 57 57 GLY H H 57 8.634 8.634 8.492 0.142 19915 1104 1 4 . 1 1 58 58 LYS N N 58 115.021 115.021 118.756 -3.735 19915 1105 1 4 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.437 -0.099 19915 1106 1 4 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.661 -0.588 19915 1107 1 4 . 1 1 58 58 LYS CB C 58 32.932 32.932 32.990 -0.058 19915 1108 1 4 . 1 1 58 58 LYS H H 58 8.417 8.417 8.069 0.348 19915 1109 1 4 . 1 1 59 59 GLY N N 59 108.720 108.720 106.609 2.111 19915 1110 1 4 . 1 1 59 59 GLY CA C 59 45.092 45.092 44.928 0.164 19915 1111 1 4 . 1 1 59 59 GLY H H 59 7.423 7.423 7.643 -0.220 19915 1112 1 4 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.916 -0.045 19915 1113 1 4 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.635 0.553 19915 1114 1 4 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.178 1.712 19915 1115 1 4 . 1 1 61 61 GLN N N 61 125.701 125.701 125.357 0.344 19915 1116 1 4 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.037 0.143 19915 1117 1 4 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.255 -1.383 19915 1118 1 4 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.634 -9.381 19915 1119 1 4 . 1 1 61 61 GLN H H 61 8.794 8.794 8.084 0.710 19915 1120 1 4 . 1 1 62 62 ALA N N 62 122.421 122.421 126.595 -4.174 19915 1121 1 4 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.484 0.565 19915 1122 1 4 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.917 0.024 19915 1123 1 4 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.154 3.765 19915 1124 1 4 . 1 1 62 62 ALA H H 62 8.898 8.898 8.517 0.381 19915 1125 1 4 . 1 1 63 63 LYS N N 63 109.000 109.000 119.712 -10.712 19915 1126 1 4 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.942 0.670 19915 1127 1 4 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.259 -4.038 19915 1128 1 4 . 1 1 63 63 LYS H H 63 9.279 9.279 8.143 1.136 19915 1129 1 4 . 1 1 64 64 LYS N N 64 116.512 116.512 118.536 -2.024 19915 1130 1 4 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.462 -0.333 19915 1131 1 4 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.147 0.124 19915 1132 1 4 . 1 1 64 64 LYS CB C 64 38.800 38.800 34.038 4.762 19915 1133 1 4 . 1 1 64 64 LYS H H 64 9.248 9.248 7.477 1.771 19915 1134 1 4 . 1 1 65 65 VAL N N 65 118.120 118.120 124.274 -6.154 19915 1135 1 4 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.243 -0.595 19915 1136 1 4 . 1 1 65 65 VAL CA C 65 64.231 64.231 59.913 4.318 19915 1137 1 4 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.180 -2.908 19915 1138 1 4 . 1 1 65 65 VAL H H 65 8.162 8.162 8.023 0.139 19915 1139 1 4 . 1 1 66 66 ARG N N 66 120.932 120.932 124.524 -3.592 19915 1140 1 4 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.807 -0.044 19915 1141 1 4 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.928 6.465 19915 1142 1 4 . 1 1 66 66 ARG CB C 66 32.512 32.512 35.056 -2.544 19915 1143 1 4 . 1 1 66 66 ARG H H 66 9.023 9.023 9.059 -0.036 19915 1144 1 4 . 1 1 67 67 ARG N N 67 119.710 119.710 123.282 -3.572 19915 1145 1 4 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.247 0.380 19915 1146 1 4 . 1 1 67 67 ARG CA C 67 60.391 60.391 57.057 3.333 19915 1147 1 4 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.728 3.805 19915 1148 1 4 . 1 1 67 67 ARG H H 67 8.798 8.798 8.688 0.110 19915 1149 1 5 . 1 1 2 2 LYS N N 2 123.000 123.000 119.760 3.240 19915 1150 1 5 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.642 -0.060 19915 1151 1 5 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.817 0.578 19915 1152 1 5 . 1 1 2 2 LYS CB C 2 34.710 34.710 37.061 -2.351 19915 1153 1 5 . 1 1 2 2 LYS H H 2 8.628 8.628 8.333 0.295 19915 1154 1 5 . 1 1 3 3 LYS N N 3 107.200 107.200 119.087 -11.887 19915 1155 1 5 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.524 0.919 19915 1156 1 5 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.056 5.658 19915 1157 1 5 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.842 -3.442 19915 1158 1 5 . 1 1 3 3 LYS H H 3 7.657 7.657 8.394 -0.737 19915 1159 1 5 . 1 1 4 4 GLY N N 4 108.916 108.916 110.321 -1.405 19915 1160 1 5 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.706 1.379 19915 1161 1 5 . 1 1 4 4 GLY H H 4 8.951 8.951 8.705 0.246 19915 1162 1 5 . 1 1 5 5 THR N N 5 119.459 119.459 114.103 5.356 19915 1163 1 5 . 1 1 5 5 THR HA H 5 5.063 5.063 4.953 0.110 19915 1164 1 5 . 1 1 5 5 THR CA C 5 59.310 59.310 60.591 -1.281 19915 1165 1 5 . 1 1 5 5 THR CB C 5 72.727 72.727 70.111 2.616 19915 1166 1 5 . 1 1 5 5 THR H H 5 8.199 8.199 8.128 0.071 19915 1167 1 5 . 1 1 6 6 VAL N N 6 126.647 126.647 121.642 5.005 19915 1168 1 5 . 1 1 6 6 VAL HA H 6 3.530 3.530 4.056 -0.526 19915 1169 1 5 . 1 1 6 6 VAL CA C 6 65.690 65.690 60.794 4.896 19915 1170 1 5 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.954 -1.666 19915 1171 1 5 . 1 1 6 6 VAL H H 6 8.818 8.818 8.440 0.378 19915 1172 1 5 . 1 1 7 7 LYS N N 7 104.469 104.469 129.166 -24.697 19915 1173 1 5 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.502 -0.351 19915 1174 1 5 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.974 2.783 19915 1175 1 5 . 1 1 7 7 LYS CB C 7 34.977 34.977 35.107 -0.130 19915 1176 1 5 . 1 1 7 7 LYS H H 7 9.139 9.139 8.163 0.976 19915 1177 1 5 . 1 1 8 8 TRP N N 8 110.745 110.745 118.071 -7.326 19915 1178 1 5 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.739 -0.159 19915 1179 1 5 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.139 0.090 19915 1180 1 5 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.882 0.701 19915 1181 1 5 . 1 1 8 8 TRP H H 8 7.427 7.427 7.292 0.135 19915 1182 1 5 . 1 1 9 9 PHE N N 9 120.922 120.922 125.853 -4.931 19915 1183 1 5 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.917 -0.768 19915 1184 1 5 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.819 3.562 19915 1185 1 5 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.725 2.208 19915 1186 1 5 . 1 1 9 9 PHE H H 9 9.247 9.247 8.527 0.720 19915 1187 1 5 . 1 1 10 10 ASN N N 10 127.119 127.119 125.904 1.215 19915 1188 1 5 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.656 0.293 19915 1189 1 5 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.996 -0.476 19915 1190 1 5 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.933 1.057 19915 1191 1 5 . 1 1 10 10 ASN H H 10 8.171 8.171 8.344 -0.173 19915 1192 1 5 . 1 1 11 11 ALA N N 11 128.949 128.949 128.172 0.777 19915 1193 1 5 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.878 0.358 19915 1194 1 5 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.934 1.542 19915 1195 1 5 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.504 0.936 19915 1196 1 5 . 1 1 11 11 ALA H H 11 9.105 9.105 8.660 0.445 19915 1197 1 5 . 1 1 12 12 GLU N N 12 117.291 117.291 119.062 -1.771 19915 1198 1 5 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.993 0.481 19915 1199 1 5 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.515 -0.791 19915 1200 1 5 . 1 1 12 12 GLU CB C 12 31.477 31.477 28.887 2.590 19915 1201 1 5 . 1 1 12 12 GLU H H 12 8.023 8.023 8.552 -0.529 19915 1202 1 5 . 1 1 13 13 LYS N N 13 116.096 116.096 116.520 -0.424 19915 1203 1 5 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.152 0.125 19915 1204 1 5 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.120 1.165 19915 1205 1 5 . 1 1 13 13 LYS CB C 13 34.493 34.493 32.726 1.767 19915 1206 1 5 . 1 1 13 13 LYS H H 13 7.437 7.437 7.881 -0.444 19915 1207 1 5 . 1 1 14 14 GLY N N 14 107.751 107.751 107.054 0.697 19915 1208 1 5 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.673 2.566 19915 1209 1 5 . 1 1 14 14 GLY H H 14 8.185 8.185 7.394 0.791 19915 1210 1 5 . 1 1 15 15 TYR N N 15 112.589 112.589 118.639 -6.050 19915 1211 1 5 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.741 -0.805 19915 1212 1 5 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.811 0.209 19915 1213 1 5 . 1 1 15 15 TYR CB C 15 43.074 43.074 41.996 1.078 19915 1214 1 5 . 1 1 15 15 TYR H H 15 6.666 6.666 7.584 -0.918 19915 1215 1 5 . 1 1 16 16 GLY N N 16 105.623 105.623 105.775 -0.152 19915 1216 1 5 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.525 0.434 19915 1217 1 5 . 1 1 16 16 GLY H H 16 8.022 8.022 8.820 -0.798 19915 1218 1 5 . 1 1 17 17 PHE N N 17 115.128 115.128 117.384 -2.256 19915 1219 1 5 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.011 0.028 19915 1220 1 5 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.515 0.994 19915 1221 1 5 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.672 3.612 19915 1222 1 5 . 1 1 17 17 PHE H H 17 7.810 7.810 7.794 0.016 19915 1223 1 5 . 1 1 18 18 ILE N N 18 121.714 121.714 122.388 -0.674 19915 1224 1 5 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.013 0.121 19915 1225 1 5 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.672 -0.218 19915 1226 1 5 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.157 3.664 19915 1227 1 5 . 1 1 18 18 ILE H H 18 9.407 9.407 7.964 1.443 19915 1228 1 5 . 1 1 19 19 GLN N N 19 126.901 126.901 122.693 4.208 19915 1229 1 5 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.707 -0.552 19915 1230 1 5 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.391 6.902 19915 1231 1 5 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.028 1.362 19915 1232 1 5 . 1 1 19 19 GLN H H 19 9.353 9.353 8.349 1.004 19915 1233 1 5 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.401 0.316 19915 1234 1 5 . 1 1 21 21 GLU N N 21 123.394 123.394 118.835 4.559 19915 1235 1 5 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.116 0.513 19915 1236 1 5 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.993 -1.523 19915 1237 1 5 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.471 1.909 19915 1238 1 5 . 1 1 21 21 GLU H H 21 9.202 9.202 8.786 0.416 19915 1239 1 5 . 1 1 22 22 GLU N N 22 117.042 117.042 118.150 -1.108 19915 1240 1 5 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.388 0.156 19915 1241 1 5 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.852 -1.141 19915 1242 1 5 . 1 1 22 22 GLU H H 22 7.989 7.989 8.239 -0.250 19915 1243 1 5 . 1 1 23 23 GLY N N 23 107.576 107.576 111.330 -3.754 19915 1244 1 5 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.103 1.582 19915 1245 1 5 . 1 1 23 23 GLY H H 23 7.672 7.672 8.071 -0.399 19915 1246 1 5 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.419 -0.285 19915 1247 1 5 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.470 -5.616 19915 1248 1 5 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.916 1.126 19915 1249 1 5 . 1 1 25 25 ASP N N 25 118.400 118.400 118.593 -0.193 19915 1250 1 5 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.747 0.049 19915 1251 1 5 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.389 1.964 19915 1252 1 5 . 1 1 25 25 ASP CB C 25 42.201 42.201 41.810 0.391 19915 1253 1 5 . 1 1 25 25 ASP H H 25 7.974 7.974 8.340 -0.366 19915 1254 1 5 . 1 1 26 26 VAL N N 26 121.011 121.011 122.071 -1.060 19915 1255 1 5 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.419 -0.117 19915 1256 1 5 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.342 1.511 19915 1257 1 5 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.365 1.549 19915 1258 1 5 . 1 1 26 26 VAL H H 26 9.319 9.319 8.162 1.157 19915 1259 1 5 . 1 1 27 27 PHE N N 27 130.309 130.309 127.517 2.792 19915 1260 1 5 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.052 -0.636 19915 1261 1 5 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.429 3.900 19915 1262 1 5 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.443 0.850 19915 1263 1 5 . 1 1 27 27 PHE H H 27 8.575 8.575 8.251 0.324 19915 1264 1 5 . 1 1 28 28 VAL N N 28 124.445 124.445 124.158 0.287 19915 1265 1 5 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.559 -0.194 19915 1266 1 5 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.065 -0.472 19915 1267 1 5 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.586 -0.684 19915 1268 1 5 . 1 1 28 28 VAL H H 28 7.785 7.785 8.362 -0.577 19915 1269 1 5 . 1 1 29 29 HIS N N 29 127.048 127.048 122.667 4.381 19915 1270 1 5 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.397 -0.812 19915 1271 1 5 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.447 3.044 19915 1272 1 5 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.233 1.698 19915 1273 1 5 . 1 1 29 29 HIS H H 29 8.538 8.538 8.044 0.494 19915 1274 1 5 . 1 1 30 30 PHE N N 30 123.381 123.381 120.783 2.598 19915 1275 1 5 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.693 -0.774 19915 1276 1 5 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.462 0.409 19915 1277 1 5 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.928 -0.616 19915 1278 1 5 . 1 1 30 30 PHE H H 30 8.331 8.331 9.130 -0.799 19915 1279 1 5 . 1 1 31 31 THR N N 31 117.402 117.402 113.314 4.088 19915 1280 1 5 . 1 1 31 31 THR HA H 31 3.656 3.656 3.881 -0.225 19915 1281 1 5 . 1 1 31 31 THR CA C 31 60.891 60.891 60.857 0.034 19915 1282 1 5 . 1 1 31 31 THR CB C 31 63.467 63.467 67.174 -3.707 19915 1283 1 5 . 1 1 31 31 THR H H 31 7.606 7.606 8.031 -0.425 19915 1284 1 5 . 1 1 32 32 ALA N N 32 124.423 124.423 122.606 1.817 19915 1285 1 5 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.637 -0.246 19915 1286 1 5 . 1 1 32 32 ALA CA C 32 53.470 53.470 50.989 2.481 19915 1287 1 5 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.480 1.240 19915 1288 1 5 . 1 1 32 32 ALA H H 32 8.045 8.045 7.866 0.179 19915 1289 1 5 . 1 1 33 33 ILE N N 33 119.413 119.413 119.865 -0.452 19915 1290 1 5 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.076 -0.194 19915 1291 1 5 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.694 1.936 19915 1292 1 5 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.535 0.256 19915 1293 1 5 . 1 1 33 33 ILE H H 33 7.471 7.471 7.310 0.161 19915 1294 1 5 . 1 1 34 34 GLU N N 34 127.220 127.220 127.981 -0.761 19915 1295 1 5 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.612 -0.306 19915 1296 1 5 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.217 1.075 19915 1297 1 5 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.224 0.686 19915 1298 1 5 . 1 1 34 34 GLU H H 34 8.973 8.973 8.326 0.647 19915 1299 1 5 . 1 1 35 35 ALA N N 35 119.122 119.122 124.743 -5.621 19915 1300 1 5 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.565 0.057 19915 1301 1 5 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.381 2.769 19915 1302 1 5 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.837 -1.010 19915 1303 1 5 . 1 1 35 35 ALA H H 35 7.557 7.557 7.980 -0.423 19915 1304 1 5 . 1 1 36 36 ASP N N 36 121.814 121.814 120.696 1.118 19915 1305 1 5 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.771 -0.196 19915 1306 1 5 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.599 2.383 19915 1307 1 5 . 1 1 36 36 ASP CB C 36 41.691 41.691 40.799 0.892 19915 1308 1 5 . 1 1 36 36 ASP H H 36 8.582 8.582 8.562 0.020 19915 1309 1 5 . 1 1 37 37 GLY N N 37 109.101 109.101 111.628 -2.527 19915 1310 1 5 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.457 1.651 19915 1311 1 5 . 1 1 37 37 GLY H H 37 8.297 8.297 8.183 0.114 19915 1312 1 5 . 1 1 38 38 PHE N N 38 121.524 121.524 125.535 -4.011 19915 1313 1 5 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.472 -0.422 19915 1314 1 5 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.413 1.637 19915 1315 1 5 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.024 0.249 19915 1316 1 5 . 1 1 38 38 PHE H H 38 7.972 7.972 8.193 -0.221 19915 1317 1 5 . 1 1 40 40 THR HA H 40 3.776 3.776 4.371 -0.595 19915 1318 1 5 . 1 1 40 40 THR CA C 40 57.432 57.432 61.262 -3.830 19915 1319 1 5 . 1 1 40 40 THR CB C 40 64.914 64.914 70.829 -5.915 19915 1320 1 5 . 1 1 40 40 THR H H 40 7.370 7.370 7.931 -0.561 19915 1321 1 5 . 1 1 41 41 LEU N N 41 119.141 119.141 121.412 -2.271 19915 1322 1 5 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.437 -0.004 19915 1323 1 5 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.727 -0.106 19915 1324 1 5 . 1 1 41 41 LEU CB C 41 46.674 46.674 45.025 1.649 19915 1325 1 5 . 1 1 41 41 LEU H H 41 5.887 5.887 7.811 -1.924 19915 1326 1 5 . 1 1 42 42 ASN N N 42 119.111 119.111 118.910 0.201 19915 1327 1 5 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.925 0.023 19915 1328 1 5 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.377 1.162 19915 1329 1 5 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.595 3.223 19915 1330 1 5 . 1 1 42 42 ASN H H 42 8.211 8.211 8.379 -0.168 19915 1331 1 5 . 1 1 43 43 GLU N N 43 121.200 121.200 125.195 -3.995 19915 1332 1 5 . 1 1 43 43 GLU HA H 43 3.559 3.559 4.010 -0.451 19915 1333 1 5 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.392 0.756 19915 1334 1 5 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.584 0.538 19915 1335 1 5 . 1 1 43 43 GLU H H 43 8.662 8.662 9.036 -0.374 19915 1336 1 5 . 1 1 44 44 GLY N N 44 114.013 114.013 115.621 -1.608 19915 1337 1 5 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.847 1.194 19915 1338 1 5 . 1 1 44 44 GLY H H 44 9.091 9.091 8.755 0.336 19915 1339 1 5 . 1 1 45 45 GLU N N 45 121.040 121.040 120.474 0.566 19915 1340 1 5 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.578 -0.406 19915 1341 1 5 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.286 3.067 19915 1342 1 5 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.133 -1.111 19915 1343 1 5 . 1 1 45 45 GLU H H 45 7.760 7.760 7.837 -0.077 19915 1344 1 5 . 1 1 46 46 HIS N N 46 126.336 126.336 120.714 5.622 19915 1345 1 5 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.660 0.353 19915 1346 1 5 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.099 1.433 19915 1347 1 5 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.529 3.162 19915 1348 1 5 . 1 1 46 46 HIS H H 46 8.785 8.785 8.233 0.552 19915 1349 1 5 . 1 1 47 47 VAL N N 47 115.822 115.822 115.615 0.207 19915 1350 1 5 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.866 0.489 19915 1351 1 5 . 1 1 47 47 VAL CA C 47 59.702 59.702 59.888 -0.186 19915 1352 1 5 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.095 2.535 19915 1353 1 5 . 1 1 47 47 VAL H H 47 8.605 8.605 8.781 -0.176 19915 1354 1 5 . 1 1 48 48 GLU N N 48 114.820 114.820 125.179 -10.359 19915 1355 1 5 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.784 -0.143 19915 1356 1 5 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.882 1.812 19915 1357 1 5 . 1 1 48 48 GLU CB C 48 26.902 26.902 31.686 -4.785 19915 1358 1 5 . 1 1 48 48 GLU H H 48 9.124 9.124 8.329 0.795 19915 1359 1 5 . 1 1 49 49 PHE N N 49 117.334 117.334 123.488 -6.154 19915 1360 1 5 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.576 -0.349 19915 1361 1 5 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.638 2.702 19915 1362 1 5 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.217 -1.087 19915 1363 1 5 . 1 1 49 49 PHE H H 49 8.663 8.663 8.597 0.066 19915 1364 1 5 . 1 1 50 50 GLU N N 50 110.733 110.733 122.439 -11.706 19915 1365 1 5 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.694 0.368 19915 1366 1 5 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.844 6.136 19915 1367 1 5 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.030 0.170 19915 1368 1 5 . 1 1 50 50 GLU H H 50 8.979 8.979 8.524 0.455 19915 1369 1 5 . 1 1 51 51 VAL N N 51 121.323 121.323 121.016 0.307 19915 1370 1 5 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.619 0.079 19915 1371 1 5 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.081 0.012 19915 1372 1 5 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.774 7.867 19915 1373 1 5 . 1 1 51 51 VAL H H 51 8.694 8.694 8.425 0.269 19915 1374 1 5 . 1 1 52 52 GLU N N 52 127.810 127.810 129.213 -1.403 19915 1375 1 5 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.933 -0.255 19915 1376 1 5 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.718 2.164 19915 1377 1 5 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.098 0.263 19915 1378 1 5 . 1 1 52 52 GLU H H 52 9.189 9.189 8.273 0.916 19915 1379 1 5 . 1 1 54 54 GLY H H 54 9.310 9.310 8.617 0.693 19915 1380 1 5 . 1 1 55 55 ARG N N 55 118.520 118.520 120.061 -1.541 19915 1381 1 5 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.444 0.076 19915 1382 1 5 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.667 3.314 19915 1383 1 5 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.400 0.844 19915 1384 1 5 . 1 1 55 55 ARG H H 55 8.772 8.772 8.135 0.637 19915 1385 1 5 . 1 1 56 56 GLY N N 56 112.512 112.512 107.032 5.480 19915 1386 1 5 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.023 1.268 19915 1387 1 5 . 1 1 56 56 GLY H H 56 7.742 7.742 7.667 0.075 19915 1388 1 5 . 1 1 57 57 GLY N N 57 123.924 123.924 109.376 14.548 19915 1389 1 5 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.278 -1.755 19915 1390 1 5 . 1 1 57 57 GLY H H 57 8.634 8.634 8.358 0.276 19915 1391 1 5 . 1 1 58 58 LYS N N 58 115.021 115.021 120.345 -5.324 19915 1392 1 5 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.574 -0.236 19915 1393 1 5 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.352 -0.279 19915 1394 1 5 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.176 -0.244 19915 1395 1 5 . 1 1 58 58 LYS H H 58 8.417 8.417 8.252 0.165 19915 1396 1 5 . 1 1 59 59 GLY N N 59 108.720 108.720 106.439 2.281 19915 1397 1 5 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.266 -0.174 19915 1398 1 5 . 1 1 59 59 GLY H H 59 7.423 7.423 7.842 -0.419 19915 1399 1 5 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.893 -0.022 19915 1400 1 5 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.646 0.542 19915 1401 1 5 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.125 1.765 19915 1402 1 5 . 1 1 61 61 GLN N N 61 125.701 125.701 125.261 0.440 19915 1403 1 5 . 1 1 61 61 GLN HA H 61 5.180 5.180 4.965 0.215 19915 1404 1 5 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.355 -1.483 19915 1405 1 5 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.660 -9.407 19915 1406 1 5 . 1 1 61 61 GLN H H 61 8.794 8.794 8.072 0.722 19915 1407 1 5 . 1 1 62 62 ALA N N 62 122.421 122.421 127.115 -4.694 19915 1408 1 5 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.479 0.570 19915 1409 1 5 . 1 1 62 62 ALA CA C 62 51.941 51.941 52.025 -0.083 19915 1410 1 5 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.089 3.831 19915 1411 1 5 . 1 1 62 62 ALA H H 62 8.898 8.898 8.609 0.289 19915 1412 1 5 . 1 1 63 63 LYS N N 63 109.000 109.000 119.479 -10.479 19915 1413 1 5 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.927 0.685 19915 1414 1 5 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.810 -4.589 19915 1415 1 5 . 1 1 63 63 LYS H H 63 9.279 9.279 8.035 1.244 19915 1416 1 5 . 1 1 64 64 LYS N N 64 116.512 116.512 119.235 -2.723 19915 1417 1 5 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.432 -0.303 19915 1418 1 5 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.343 -0.072 19915 1419 1 5 . 1 1 64 64 LYS CB C 64 38.800 38.800 34.205 4.595 19915 1420 1 5 . 1 1 64 64 LYS H H 64 9.248 9.248 7.445 1.803 19915 1421 1 5 . 1 1 65 65 VAL N N 65 118.120 118.120 124.943 -6.823 19915 1422 1 5 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.276 -0.628 19915 1423 1 5 . 1 1 65 65 VAL CA C 65 64.231 64.231 59.836 4.395 19915 1424 1 5 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.173 -2.901 19915 1425 1 5 . 1 1 65 65 VAL H H 65 8.162 8.162 8.061 0.101 19915 1426 1 5 . 1 1 66 66 ARG N N 66 120.932 120.932 124.145 -3.213 19915 1427 1 5 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.788 -0.025 19915 1428 1 5 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.932 6.461 19915 1429 1 5 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.639 -2.127 19915 1430 1 5 . 1 1 66 66 ARG H H 66 9.023 9.023 8.935 0.088 19915 1431 1 5 . 1 1 67 67 ARG N N 67 119.710 119.710 123.977 -4.267 19915 1432 1 5 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.294 0.333 19915 1433 1 5 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.457 3.934 19915 1434 1 5 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.411 4.122 19915 1435 1 5 . 1 1 67 67 ARG H H 67 8.798 8.798 8.613 0.185 19915 1436 1 6 . 1 1 2 2 LYS N N 2 123.000 123.000 120.608 2.392 19915 1437 1 6 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.551 0.031 19915 1438 1 6 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.473 0.922 19915 1439 1 6 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.848 -1.138 19915 1440 1 6 . 1 1 2 2 LYS H H 2 8.628 8.628 8.486 0.142 19915 1441 1 6 . 1 1 3 3 LYS N N 3 107.200 107.200 119.237 -12.037 19915 1442 1 6 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.731 0.712 19915 1443 1 6 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.084 5.630 19915 1444 1 6 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.082 -3.682 19915 1445 1 6 . 1 1 3 3 LYS H H 3 7.657 7.657 8.526 -0.869 19915 1446 1 6 . 1 1 4 4 GLY N N 4 108.916 108.916 110.510 -1.594 19915 1447 1 6 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.775 1.310 19915 1448 1 6 . 1 1 4 4 GLY H H 4 8.951 8.951 8.698 0.253 19915 1449 1 6 . 1 1 5 5 THR N N 5 119.459 119.459 114.379 5.080 19915 1450 1 6 . 1 1 5 5 THR HA H 5 5.063 5.063 4.890 0.173 19915 1451 1 6 . 1 1 5 5 THR CA C 5 59.310 59.310 60.560 -1.250 19915 1452 1 6 . 1 1 5 5 THR CB C 5 72.727 72.727 69.915 2.812 19915 1453 1 6 . 1 1 5 5 THR H H 5 8.199 8.199 8.118 0.081 19915 1454 1 6 . 1 1 6 6 VAL N N 6 126.647 126.647 122.709 3.938 19915 1455 1 6 . 1 1 6 6 VAL HA H 6 3.530 3.530 4.006 -0.476 19915 1456 1 6 . 1 1 6 6 VAL CA C 6 65.690 65.690 60.855 4.835 19915 1457 1 6 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.634 -1.346 19915 1458 1 6 . 1 1 6 6 VAL H H 6 8.818 8.818 8.525 0.293 19915 1459 1 6 . 1 1 7 7 LYS N N 7 104.469 104.469 129.049 -24.580 19915 1460 1 6 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.447 -0.296 19915 1461 1 6 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.485 2.272 19915 1462 1 6 . 1 1 7 7 LYS CB C 7 34.977 34.977 35.029 -0.052 19915 1463 1 6 . 1 1 7 7 LYS H H 7 9.139 9.139 8.179 0.960 19915 1464 1 6 . 1 1 8 8 TRP N N 8 110.745 110.745 116.539 -5.794 19915 1465 1 6 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.731 -0.150 19915 1466 1 6 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.073 0.156 19915 1467 1 6 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.910 1.673 19915 1468 1 6 . 1 1 8 8 TRP H H 8 7.427 7.427 7.417 0.010 19915 1469 1 6 . 1 1 9 9 PHE N N 9 120.922 120.922 125.158 -4.236 19915 1470 1 6 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.763 -0.614 19915 1471 1 6 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.227 3.154 19915 1472 1 6 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.061 1.872 19915 1473 1 6 . 1 1 9 9 PHE H H 9 9.247 9.247 8.453 0.794 19915 1474 1 6 . 1 1 10 10 ASN N N 10 127.119 127.119 124.982 2.137 19915 1475 1 6 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.451 0.498 19915 1476 1 6 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.811 -0.291 19915 1477 1 6 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.006 0.984 19915 1478 1 6 . 1 1 10 10 ASN H H 10 8.171 8.171 7.850 0.321 19915 1479 1 6 . 1 1 11 11 ALA N N 11 128.949 128.949 128.580 0.369 19915 1480 1 6 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.078 0.158 19915 1481 1 6 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.227 2.249 19915 1482 1 6 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.956 0.484 19915 1483 1 6 . 1 1 11 11 ALA H H 11 9.105 9.105 8.673 0.432 19915 1484 1 6 . 1 1 12 12 GLU N N 12 117.291 117.291 118.587 -1.296 19915 1485 1 6 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.021 0.453 19915 1486 1 6 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.520 -0.796 19915 1487 1 6 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.880 1.597 19915 1488 1 6 . 1 1 12 12 GLU H H 12 8.023 8.023 8.060 -0.037 19915 1489 1 6 . 1 1 13 13 LYS N N 13 116.096 116.096 116.093 0.003 19915 1490 1 6 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.279 -0.002 19915 1491 1 6 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.641 0.644 19915 1492 1 6 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.910 0.583 19915 1493 1 6 . 1 1 13 13 LYS H H 13 7.437 7.437 8.230 -0.793 19915 1494 1 6 . 1 1 14 14 GLY N N 14 107.751 107.751 107.696 0.055 19915 1495 1 6 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.587 2.652 19915 1496 1 6 . 1 1 14 14 GLY H H 14 8.185 8.185 7.547 0.638 19915 1497 1 6 . 1 1 15 15 TYR N N 15 112.589 112.589 116.736 -4.147 19915 1498 1 6 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.795 -0.859 19915 1499 1 6 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.232 0.788 19915 1500 1 6 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.958 2.116 19915 1501 1 6 . 1 1 15 15 TYR H H 15 6.666 6.666 7.679 -1.013 19915 1502 1 6 . 1 1 16 16 GLY N N 16 105.623 105.623 105.928 -0.305 19915 1503 1 6 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.462 0.497 19915 1504 1 6 . 1 1 16 16 GLY H H 16 8.022 8.022 8.639 -0.617 19915 1505 1 6 . 1 1 17 17 PHE N N 17 115.128 115.128 117.148 -2.020 19915 1506 1 6 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.018 0.021 19915 1507 1 6 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.583 0.926 19915 1508 1 6 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.697 3.587 19915 1509 1 6 . 1 1 17 17 PHE H H 17 7.810 7.810 7.854 -0.044 19915 1510 1 6 . 1 1 18 18 ILE N N 18 121.714 121.714 122.090 -0.376 19915 1511 1 6 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.060 0.074 19915 1512 1 6 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.780 -0.326 19915 1513 1 6 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.043 3.778 19915 1514 1 6 . 1 1 18 18 ILE H H 18 9.407 9.407 8.029 1.378 19915 1515 1 6 . 1 1 19 19 GLN N N 19 126.901 126.901 122.406 4.495 19915 1516 1 6 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.744 -0.589 19915 1517 1 6 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.400 6.893 19915 1518 1 6 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.888 0.502 19915 1519 1 6 . 1 1 19 19 GLN H H 19 9.353 9.353 8.425 0.928 19915 1520 1 6 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.483 0.234 19915 1521 1 6 . 1 1 21 21 GLU N N 21 123.394 123.394 118.123 5.271 19915 1522 1 6 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.110 0.519 19915 1523 1 6 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.716 -1.246 19915 1524 1 6 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.468 1.913 19915 1525 1 6 . 1 1 21 21 GLU H H 21 9.202 9.202 8.796 0.406 19915 1526 1 6 . 1 1 22 22 GLU N N 22 117.042 117.042 116.909 0.133 19915 1527 1 6 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.420 0.124 19915 1528 1 6 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.101 -1.390 19915 1529 1 6 . 1 1 22 22 GLU H H 22 7.989 7.989 8.134 -0.145 19915 1530 1 6 . 1 1 23 23 GLY N N 23 107.576 107.576 110.347 -2.771 19915 1531 1 6 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.809 1.876 19915 1532 1 6 . 1 1 23 23 GLY H H 23 7.672 7.672 8.044 -0.372 19915 1533 1 6 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.437 -0.303 19915 1534 1 6 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.844 -5.990 19915 1535 1 6 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.505 1.537 19915 1536 1 6 . 1 1 25 25 ASP N N 25 118.400 118.400 118.242 0.158 19915 1537 1 6 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.775 0.021 19915 1538 1 6 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.291 2.062 19915 1539 1 6 . 1 1 25 25 ASP CB C 25 42.201 42.201 41.435 0.766 19915 1540 1 6 . 1 1 25 25 ASP H H 25 7.974 7.974 8.363 -0.389 19915 1541 1 6 . 1 1 26 26 VAL N N 26 121.011 121.011 122.328 -1.317 19915 1542 1 6 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.363 -0.061 19915 1543 1 6 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.652 1.201 19915 1544 1 6 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.986 0.929 19915 1545 1 6 . 1 1 26 26 VAL H H 26 9.319 9.319 8.200 1.119 19915 1546 1 6 . 1 1 27 27 PHE N N 27 130.309 130.309 127.730 2.579 19915 1547 1 6 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.221 -0.805 19915 1548 1 6 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.526 3.803 19915 1549 1 6 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.853 0.440 19915 1550 1 6 . 1 1 27 27 PHE H H 27 8.575 8.575 8.244 0.331 19915 1551 1 6 . 1 1 28 28 VAL N N 28 124.445 124.445 122.094 2.351 19915 1552 1 6 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.769 -0.404 19915 1553 1 6 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.891 -1.298 19915 1554 1 6 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.550 -0.648 19915 1555 1 6 . 1 1 28 28 VAL H H 28 7.785 7.785 8.343 -0.558 19915 1556 1 6 . 1 1 29 29 HIS N N 29 127.048 127.048 122.698 4.350 19915 1557 1 6 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.340 -0.755 19915 1558 1 6 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.847 2.644 19915 1559 1 6 . 1 1 29 29 HIS CB C 29 34.931 34.931 34.006 0.925 19915 1560 1 6 . 1 1 29 29 HIS H H 29 8.538 8.538 8.427 0.111 19915 1561 1 6 . 1 1 30 30 PHE N N 30 123.381 123.381 120.982 2.399 19915 1562 1 6 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.714 -0.795 19915 1563 1 6 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.438 0.433 19915 1564 1 6 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.017 -0.704 19915 1565 1 6 . 1 1 30 30 PHE H H 30 8.331 8.331 9.051 -0.720 19915 1566 1 6 . 1 1 31 31 THR N N 31 117.402 117.402 112.682 4.720 19915 1567 1 6 . 1 1 31 31 THR HA H 31 3.656 3.656 3.979 -0.323 19915 1568 1 6 . 1 1 31 31 THR CA C 31 60.891 60.891 61.713 -0.822 19915 1569 1 6 . 1 1 31 31 THR CB C 31 63.467 63.467 67.511 -4.044 19915 1570 1 6 . 1 1 31 31 THR H H 31 7.606 7.606 7.763 -0.157 19915 1571 1 6 . 1 1 32 32 ALA N N 32 124.423 124.423 121.927 2.496 19915 1572 1 6 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.606 -0.215 19915 1573 1 6 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.216 2.254 19915 1574 1 6 . 1 1 32 32 ALA CB C 32 21.720 21.720 21.133 0.587 19915 1575 1 6 . 1 1 32 32 ALA H H 32 8.045 8.045 8.052 -0.007 19915 1576 1 6 . 1 1 33 33 ILE N N 33 119.413 119.413 119.624 -0.211 19915 1577 1 6 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.072 -0.190 19915 1578 1 6 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.763 1.867 19915 1579 1 6 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.575 0.216 19915 1580 1 6 . 1 1 33 33 ILE H H 33 7.471 7.471 7.325 0.146 19915 1581 1 6 . 1 1 34 34 GLU N N 34 127.220 127.220 127.824 -0.604 19915 1582 1 6 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.547 -0.241 19915 1583 1 6 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.285 1.006 19915 1584 1 6 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.468 0.442 19915 1585 1 6 . 1 1 34 34 GLU H H 34 8.973 8.973 8.458 0.515 19915 1586 1 6 . 1 1 35 35 ALA N N 35 119.122 119.122 126.019 -6.897 19915 1587 1 6 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.492 0.130 19915 1588 1 6 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.641 3.509 19915 1589 1 6 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.616 -0.789 19915 1590 1 6 . 1 1 35 35 ALA H H 35 7.557 7.557 8.108 -0.551 19915 1591 1 6 . 1 1 36 36 ASP N N 36 121.814 121.814 120.898 0.916 19915 1592 1 6 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.631 -0.056 19915 1593 1 6 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.795 2.187 19915 1594 1 6 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.489 2.202 19915 1595 1 6 . 1 1 36 36 ASP H H 36 8.582 8.582 8.286 0.296 19915 1596 1 6 . 1 1 37 37 GLY N N 37 109.101 109.101 111.273 -2.172 19915 1597 1 6 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.396 1.712 19915 1598 1 6 . 1 1 37 37 GLY H H 37 8.297 8.297 7.617 0.680 19915 1599 1 6 . 1 1 38 38 PHE N N 38 121.524 121.524 121.297 0.227 19915 1600 1 6 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.523 -0.473 19915 1601 1 6 . 1 1 38 38 PHE CA C 38 59.050 59.050 56.609 2.441 19915 1602 1 6 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.076 0.197 19915 1603 1 6 . 1 1 38 38 PHE H H 38 7.972 7.972 8.029 -0.057 19915 1604 1 6 . 1 1 40 40 THR HA H 40 3.776 3.776 4.272 -0.496 19915 1605 1 6 . 1 1 40 40 THR CA C 40 57.432 57.432 61.612 -4.180 19915 1606 1 6 . 1 1 40 40 THR CB C 40 64.914 64.914 70.839 -5.925 19915 1607 1 6 . 1 1 40 40 THR H H 40 7.370 7.370 7.791 -0.421 19915 1608 1 6 . 1 1 41 41 LEU N N 41 119.141 119.141 119.645 -0.504 19915 1609 1 6 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.681 -0.248 19915 1610 1 6 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.019 0.602 19915 1611 1 6 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.189 3.485 19915 1612 1 6 . 1 1 41 41 LEU H H 41 5.887 5.887 7.546 -1.659 19915 1613 1 6 . 1 1 42 42 ASN N N 42 119.111 119.111 118.342 0.769 19915 1614 1 6 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.927 0.021 19915 1615 1 6 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.420 1.119 19915 1616 1 6 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.441 3.377 19915 1617 1 6 . 1 1 42 42 ASN H H 42 8.211 8.211 8.428 -0.217 19915 1618 1 6 . 1 1 43 43 GLU N N 43 121.200 121.200 124.918 -3.718 19915 1619 1 6 . 1 1 43 43 GLU HA H 43 3.559 3.559 4.004 -0.445 19915 1620 1 6 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.315 0.833 19915 1621 1 6 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.705 0.417 19915 1622 1 6 . 1 1 43 43 GLU H H 43 8.662 8.662 9.005 -0.343 19915 1623 1 6 . 1 1 44 44 GLY N N 44 114.013 114.013 115.335 -1.322 19915 1624 1 6 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.993 1.048 19915 1625 1 6 . 1 1 44 44 GLY H H 44 9.091 9.091 8.699 0.392 19915 1626 1 6 . 1 1 45 45 GLU N N 45 121.040 121.040 120.311 0.729 19915 1627 1 6 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.566 -0.394 19915 1628 1 6 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.309 3.044 19915 1629 1 6 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.167 -1.145 19915 1630 1 6 . 1 1 45 45 GLU H H 45 7.760 7.760 7.791 -0.031 19915 1631 1 6 . 1 1 46 46 HIS N N 46 126.336 126.336 119.982 6.354 19915 1632 1 6 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.778 0.235 19915 1633 1 6 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.185 1.347 19915 1634 1 6 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.466 3.225 19915 1635 1 6 . 1 1 46 46 HIS H H 46 8.785 8.785 8.170 0.615 19915 1636 1 6 . 1 1 47 47 VAL N N 47 115.822 115.822 114.860 0.962 19915 1637 1 6 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.863 0.492 19915 1638 1 6 . 1 1 47 47 VAL CA C 47 59.702 59.702 61.018 -1.316 19915 1639 1 6 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.837 1.793 19915 1640 1 6 . 1 1 47 47 VAL H H 47 8.605 8.605 8.776 -0.171 19915 1641 1 6 . 1 1 48 48 GLU N N 48 114.820 114.820 124.794 -9.974 19915 1642 1 6 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.974 -0.333 19915 1643 1 6 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.706 1.988 19915 1644 1 6 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.101 -5.199 19915 1645 1 6 . 1 1 48 48 GLU H H 48 9.124 9.124 8.368 0.756 19915 1646 1 6 . 1 1 49 49 PHE N N 49 117.334 117.334 123.283 -5.949 19915 1647 1 6 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.616 -0.389 19915 1648 1 6 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.562 2.778 19915 1649 1 6 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.034 -0.904 19915 1650 1 6 . 1 1 49 49 PHE H H 49 8.663 8.663 8.637 0.026 19915 1651 1 6 . 1 1 50 50 GLU N N 50 110.733 110.733 122.334 -11.601 19915 1652 1 6 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.706 0.356 19915 1653 1 6 . 1 1 50 50 GLU CA C 50 60.980 60.980 53.738 7.242 19915 1654 1 6 . 1 1 50 50 GLU CB C 50 31.200 31.200 29.574 1.626 19915 1655 1 6 . 1 1 50 50 GLU H H 50 8.979 8.979 8.531 0.448 19915 1656 1 6 . 1 1 51 51 VAL N N 51 121.323 121.323 120.284 1.039 19915 1657 1 6 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.716 -0.018 19915 1658 1 6 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.709 -0.616 19915 1659 1 6 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.132 7.510 19915 1660 1 6 . 1 1 51 51 VAL H H 51 8.694 8.694 8.318 0.376 19915 1661 1 6 . 1 1 52 52 GLU N N 52 127.810 127.810 128.606 -0.796 19915 1662 1 6 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.894 -0.216 19915 1663 1 6 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.656 2.226 19915 1664 1 6 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.155 1.206 19915 1665 1 6 . 1 1 52 52 GLU H H 52 9.189 9.189 8.316 0.873 19915 1666 1 6 . 1 1 54 54 GLY H H 54 9.310 9.310 8.594 0.716 19915 1667 1 6 . 1 1 55 55 ARG N N 55 118.520 118.520 120.264 -1.744 19915 1668 1 6 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.421 0.099 19915 1669 1 6 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.661 3.320 19915 1670 1 6 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.476 0.768 19915 1671 1 6 . 1 1 55 55 ARG H H 55 8.772 8.772 8.152 0.620 19915 1672 1 6 . 1 1 56 56 GLY N N 56 112.512 112.512 107.000 5.512 19915 1673 1 6 . 1 1 56 56 GLY CA C 56 45.291 45.291 43.997 1.294 19915 1674 1 6 . 1 1 56 56 GLY H H 56 7.742 7.742 7.648 0.094 19915 1675 1 6 . 1 1 57 57 GLY N N 57 123.924 123.924 109.258 14.666 19915 1676 1 6 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.121 -1.598 19915 1677 1 6 . 1 1 57 57 GLY H H 57 8.634 8.634 8.280 0.354 19915 1678 1 6 . 1 1 58 58 LYS N N 58 115.021 115.021 119.511 -4.490 19915 1679 1 6 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.547 -0.209 19915 1680 1 6 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.202 -0.129 19915 1681 1 6 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.052 -0.120 19915 1682 1 6 . 1 1 58 58 LYS H H 58 8.417 8.417 7.976 0.441 19915 1683 1 6 . 1 1 59 59 GLY N N 59 108.720 108.720 106.879 1.841 19915 1684 1 6 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.213 -0.121 19915 1685 1 6 . 1 1 59 59 GLY H H 59 7.423 7.423 7.263 0.160 19915 1686 1 6 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.926 -0.055 19915 1687 1 6 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.640 0.548 19915 1688 1 6 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.210 1.680 19915 1689 1 6 . 1 1 61 61 GLN N N 61 125.701 125.701 125.345 0.356 19915 1690 1 6 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.097 0.083 19915 1691 1 6 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.292 -1.420 19915 1692 1 6 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.744 -9.491 19915 1693 1 6 . 1 1 61 61 GLN H H 61 8.794 8.794 8.118 0.676 19915 1694 1 6 . 1 1 62 62 ALA N N 62 122.421 122.421 126.944 -4.523 19915 1695 1 6 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.551 0.498 19915 1696 1 6 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.956 -0.015 19915 1697 1 6 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.190 3.730 19915 1698 1 6 . 1 1 62 62 ALA H H 62 8.898 8.898 8.691 0.207 19915 1699 1 6 . 1 1 63 63 LYS N N 63 109.000 109.000 119.560 -10.560 19915 1700 1 6 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.940 0.672 19915 1701 1 6 . 1 1 63 63 LYS CA C 63 54.221 54.221 59.099 -4.878 19915 1702 1 6 . 1 1 63 63 LYS H H 63 9.279 9.279 8.027 1.252 19915 1703 1 6 . 1 1 64 64 LYS N N 64 116.512 116.512 118.438 -1.926 19915 1704 1 6 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.500 -0.371 19915 1705 1 6 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.367 -0.096 19915 1706 1 6 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.955 4.845 19915 1707 1 6 . 1 1 64 64 LYS H H 64 9.248 9.248 7.397 1.851 19915 1708 1 6 . 1 1 65 65 VAL N N 65 118.120 118.120 125.545 -7.425 19915 1709 1 6 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.190 -0.542 19915 1710 1 6 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.006 4.225 19915 1711 1 6 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.293 -3.021 19915 1712 1 6 . 1 1 65 65 VAL H H 65 8.162 8.162 8.269 -0.107 19915 1713 1 6 . 1 1 66 66 ARG N N 66 120.932 120.932 124.545 -3.613 19915 1714 1 6 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.841 -0.078 19915 1715 1 6 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.133 7.260 19915 1716 1 6 . 1 1 66 66 ARG CB C 66 32.512 32.512 35.090 -2.578 19915 1717 1 6 . 1 1 66 66 ARG H H 66 9.023 9.023 9.045 -0.022 19915 1718 1 6 . 1 1 67 67 ARG N N 67 119.710 119.710 123.165 -3.455 19915 1719 1 6 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.326 0.301 19915 1720 1 6 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.322 4.069 19915 1721 1 6 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.699 3.834 19915 1722 1 6 . 1 1 67 67 ARG H H 67 8.798 8.798 8.612 0.186 19915 1723 1 7 . 1 1 2 2 LYS N N 2 123.000 123.000 120.684 2.316 19915 1724 1 7 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.532 0.050 19915 1725 1 7 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.422 0.973 19915 1726 1 7 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.898 -1.188 19915 1727 1 7 . 1 1 2 2 LYS H H 2 8.628 8.628 8.235 0.393 19915 1728 1 7 . 1 1 3 3 LYS N N 3 107.200 107.200 119.753 -12.553 19915 1729 1 7 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.555 0.888 19915 1730 1 7 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.094 5.620 19915 1731 1 7 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.767 -3.367 19915 1732 1 7 . 1 1 3 3 LYS H H 3 7.657 7.657 8.502 -0.845 19915 1733 1 7 . 1 1 4 4 GLY N N 4 108.916 108.916 110.269 -1.353 19915 1734 1 7 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.669 1.416 19915 1735 1 7 . 1 1 4 4 GLY H H 4 8.951 8.951 8.745 0.206 19915 1736 1 7 . 1 1 5 5 THR N N 5 119.459 119.459 114.290 5.169 19915 1737 1 7 . 1 1 5 5 THR HA H 5 5.063 5.063 4.942 0.121 19915 1738 1 7 . 1 1 5 5 THR CA C 5 59.310 59.310 60.835 -1.525 19915 1739 1 7 . 1 1 5 5 THR CB C 5 72.727 72.727 70.093 2.634 19915 1740 1 7 . 1 1 5 5 THR H H 5 8.199 8.199 8.123 0.076 19915 1741 1 7 . 1 1 6 6 VAL N N 6 126.647 126.647 122.928 3.719 19915 1742 1 7 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.881 -0.351 19915 1743 1 7 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.675 4.015 19915 1744 1 7 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.101 -0.813 19915 1745 1 7 . 1 1 6 6 VAL H H 6 8.818 8.818 8.523 0.295 19915 1746 1 7 . 1 1 7 7 LYS N N 7 104.469 104.469 129.336 -24.867 19915 1747 1 7 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.463 -0.312 19915 1748 1 7 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.971 2.785 19915 1749 1 7 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.946 0.031 19915 1750 1 7 . 1 1 7 7 LYS H H 7 9.139 9.139 8.111 1.028 19915 1751 1 7 . 1 1 8 8 TRP N N 8 110.745 110.745 117.546 -6.801 19915 1752 1 7 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.675 -0.095 19915 1753 1 7 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.963 0.266 19915 1754 1 7 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.966 1.617 19915 1755 1 7 . 1 1 8 8 TRP H H 8 7.427 7.427 7.231 0.196 19915 1756 1 7 . 1 1 9 9 PHE N N 9 120.922 120.922 125.429 -4.507 19915 1757 1 7 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.770 -0.621 19915 1758 1 7 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.026 3.355 19915 1759 1 7 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.094 1.839 19915 1760 1 7 . 1 1 9 9 PHE H H 9 9.247 9.247 8.764 0.483 19915 1761 1 7 . 1 1 10 10 ASN N N 10 127.119 127.119 125.339 1.780 19915 1762 1 7 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.534 0.415 19915 1763 1 7 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.811 -0.291 19915 1764 1 7 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.176 0.814 19915 1765 1 7 . 1 1 10 10 ASN H H 10 8.171 8.171 7.979 0.193 19915 1766 1 7 . 1 1 11 11 ALA N N 11 128.949 128.949 127.463 1.486 19915 1767 1 7 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.879 0.357 19915 1768 1 7 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.446 2.030 19915 1769 1 7 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.984 0.456 19915 1770 1 7 . 1 1 11 11 ALA H H 11 9.105 9.105 8.480 0.625 19915 1771 1 7 . 1 1 12 12 GLU N N 12 117.291 117.291 118.690 -1.399 19915 1772 1 7 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.990 0.484 19915 1773 1 7 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.834 -1.109 19915 1774 1 7 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.192 2.285 19915 1775 1 7 . 1 1 12 12 GLU H H 12 8.023 8.023 8.412 -0.389 19915 1776 1 7 . 1 1 13 13 LYS N N 13 116.096 116.096 116.590 -0.494 19915 1777 1 7 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.243 0.034 19915 1778 1 7 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.386 0.899 19915 1779 1 7 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.128 1.365 19915 1780 1 7 . 1 1 13 13 LYS H H 13 7.437 7.437 8.100 -0.663 19915 1781 1 7 . 1 1 14 14 GLY N N 14 107.751 107.751 107.382 0.369 19915 1782 1 7 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.493 2.745 19915 1783 1 7 . 1 1 14 14 GLY H H 14 8.185 8.185 7.666 0.519 19915 1784 1 7 . 1 1 15 15 TYR N N 15 112.589 112.589 117.182 -4.593 19915 1785 1 7 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.562 -0.626 19915 1786 1 7 . 1 1 15 15 TYR CA C 15 56.020 56.020 54.436 1.584 19915 1787 1 7 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.396 2.678 19915 1788 1 7 . 1 1 15 15 TYR H H 15 6.666 6.666 7.864 -1.198 19915 1789 1 7 . 1 1 16 16 GLY N N 16 105.623 105.623 106.019 -0.396 19915 1790 1 7 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.056 0.903 19915 1791 1 7 . 1 1 16 16 GLY H H 16 8.022 8.022 8.377 -0.355 19915 1792 1 7 . 1 1 17 17 PHE N N 17 115.128 115.128 116.776 -1.648 19915 1793 1 7 . 1 1 17 17 PHE HA H 17 5.039 5.039 4.965 0.074 19915 1794 1 7 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.443 1.066 19915 1795 1 7 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.799 3.485 19915 1796 1 7 . 1 1 17 17 PHE H H 17 7.810 7.810 7.742 0.068 19915 1797 1 7 . 1 1 18 18 ILE N N 18 121.714 121.714 121.806 -0.092 19915 1798 1 7 . 1 1 18 18 ILE HA H 18 4.134 4.134 3.997 0.137 19915 1799 1 7 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.769 -0.315 19915 1800 1 7 . 1 1 18 18 ILE CB C 18 42.821 42.821 38.965 3.856 19915 1801 1 7 . 1 1 18 18 ILE H H 18 9.407 9.407 7.977 1.430 19915 1802 1 7 . 1 1 19 19 GLN N N 19 126.901 126.901 124.073 2.828 19915 1803 1 7 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.759 -0.604 19915 1804 1 7 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.656 6.637 19915 1805 1 7 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.121 1.269 19915 1806 1 7 . 1 1 19 19 GLN H H 19 9.353 9.353 8.205 1.148 19915 1807 1 7 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.392 0.325 19915 1808 1 7 . 1 1 21 21 GLU N N 21 123.394 123.394 118.813 4.581 19915 1809 1 7 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.120 0.509 19915 1810 1 7 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.966 -1.496 19915 1811 1 7 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.493 1.887 19915 1812 1 7 . 1 1 21 21 GLU H H 21 9.202 9.202 8.785 0.417 19915 1813 1 7 . 1 1 22 22 GLU N N 22 117.042 117.042 118.115 -1.073 19915 1814 1 7 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.392 0.152 19915 1815 1 7 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.858 -1.147 19915 1816 1 7 . 1 1 22 22 GLU H H 22 7.989 7.989 8.245 -0.256 19915 1817 1 7 . 1 1 23 23 GLY N N 23 107.576 107.576 111.313 -3.737 19915 1818 1 7 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.119 1.566 19915 1819 1 7 . 1 1 23 23 GLY H H 23 7.672 7.672 8.063 -0.391 19915 1820 1 7 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.390 -0.256 19915 1821 1 7 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.748 -5.894 19915 1822 1 7 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.502 1.540 19915 1823 1 7 . 1 1 25 25 ASP N N 25 118.400 118.400 116.582 1.818 19915 1824 1 7 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.708 0.088 19915 1825 1 7 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.059 2.294 19915 1826 1 7 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.599 1.602 19915 1827 1 7 . 1 1 25 25 ASP H H 25 7.974 7.974 8.342 -0.368 19915 1828 1 7 . 1 1 26 26 VAL N N 26 121.011 121.011 121.268 -0.257 19915 1829 1 7 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.419 -0.117 19915 1830 1 7 . 1 1 26 26 VAL CA C 26 61.853 61.853 61.167 0.686 19915 1831 1 7 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.154 0.760 19915 1832 1 7 . 1 1 26 26 VAL H H 26 9.319 9.319 8.087 1.232 19915 1833 1 7 . 1 1 27 27 PHE N N 27 130.309 130.309 128.066 2.243 19915 1834 1 7 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.183 -0.767 19915 1835 1 7 . 1 1 27 27 PHE CA C 27 59.329 59.329 56.173 3.156 19915 1836 1 7 . 1 1 27 27 PHE CB C 27 41.293 41.293 41.258 0.035 19915 1837 1 7 . 1 1 27 27 PHE H H 27 8.575 8.575 8.304 0.271 19915 1838 1 7 . 1 1 28 28 VAL N N 28 124.445 124.445 121.881 2.564 19915 1839 1 7 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.581 -0.216 19915 1840 1 7 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.762 -1.169 19915 1841 1 7 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.609 -0.708 19915 1842 1 7 . 1 1 28 28 VAL H H 28 7.785 7.785 7.857 -0.072 19915 1843 1 7 . 1 1 29 29 HIS N N 29 127.048 127.048 122.885 4.163 19915 1844 1 7 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.150 -0.565 19915 1845 1 7 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.711 2.780 19915 1846 1 7 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.832 1.099 19915 1847 1 7 . 1 1 29 29 HIS H H 29 8.538 8.538 8.351 0.187 19915 1848 1 7 . 1 1 30 30 PHE N N 30 123.381 123.381 121.544 1.837 19915 1849 1 7 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.763 -0.844 19915 1850 1 7 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.524 0.347 19915 1851 1 7 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.689 -0.377 19915 1852 1 7 . 1 1 30 30 PHE H H 30 8.331 8.331 8.886 -0.555 19915 1853 1 7 . 1 1 31 31 THR N N 31 117.402 117.402 109.982 7.420 19915 1854 1 7 . 1 1 31 31 THR HA H 31 3.656 3.656 3.961 -0.305 19915 1855 1 7 . 1 1 31 31 THR CA C 31 60.891 60.891 61.287 -0.396 19915 1856 1 7 . 1 1 31 31 THR CB C 31 63.467 63.467 67.007 -3.540 19915 1857 1 7 . 1 1 31 31 THR H H 31 7.606 7.606 7.749 -0.143 19915 1858 1 7 . 1 1 32 32 ALA N N 32 124.423 124.423 122.639 1.784 19915 1859 1 7 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.612 -0.221 19915 1860 1 7 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.356 2.114 19915 1861 1 7 . 1 1 32 32 ALA CB C 32 21.720 21.720 21.035 0.685 19915 1862 1 7 . 1 1 32 32 ALA H H 32 8.045 8.045 8.068 -0.023 19915 1863 1 7 . 1 1 33 33 ILE N N 33 119.413 119.413 119.743 -0.330 19915 1864 1 7 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.074 -0.193 19915 1865 1 7 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.598 2.032 19915 1866 1 7 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.573 0.218 19915 1867 1 7 . 1 1 33 33 ILE H H 33 7.471 7.471 7.284 0.187 19915 1868 1 7 . 1 1 34 34 GLU N N 34 127.220 127.220 128.137 -0.917 19915 1869 1 7 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.557 -0.251 19915 1870 1 7 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.271 1.020 19915 1871 1 7 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.424 0.486 19915 1872 1 7 . 1 1 34 34 GLU H H 34 8.973 8.973 8.346 0.627 19915 1873 1 7 . 1 1 35 35 ALA N N 35 119.122 119.122 124.269 -5.147 19915 1874 1 7 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.549 0.073 19915 1875 1 7 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.724 3.426 19915 1876 1 7 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.944 -1.117 19915 1877 1 7 . 1 1 35 35 ALA H H 35 7.557 7.557 7.786 -0.229 19915 1878 1 7 . 1 1 36 36 ASP N N 36 121.814 121.814 121.384 0.430 19915 1879 1 7 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.605 -0.030 19915 1880 1 7 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.467 1.515 19915 1881 1 7 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.065 2.626 19915 1882 1 7 . 1 1 36 36 ASP H H 36 8.582 8.582 8.663 -0.081 19915 1883 1 7 . 1 1 37 37 GLY N N 37 109.101 109.101 110.190 -1.089 19915 1884 1 7 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.471 1.637 19915 1885 1 7 . 1 1 37 37 GLY H H 37 8.297 8.297 7.940 0.357 19915 1886 1 7 . 1 1 38 38 PHE N N 38 121.524 121.524 125.563 -4.039 19915 1887 1 7 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.485 -0.435 19915 1888 1 7 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.435 1.615 19915 1889 1 7 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.153 0.120 19915 1890 1 7 . 1 1 38 38 PHE H H 38 7.972 7.972 8.300 -0.328 19915 1891 1 7 . 1 1 40 40 THR HA H 40 3.776 3.776 4.177 -0.401 19915 1892 1 7 . 1 1 40 40 THR CA C 40 57.432 57.432 61.380 -3.948 19915 1893 1 7 . 1 1 40 40 THR CB C 40 64.914 64.914 71.455 -6.541 19915 1894 1 7 . 1 1 40 40 THR H H 40 7.370 7.370 7.922 -0.552 19915 1895 1 7 . 1 1 41 41 LEU N N 41 119.141 119.141 121.000 -1.859 19915 1896 1 7 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.403 0.030 19915 1897 1 7 . 1 1 41 41 LEU CA C 41 53.621 53.621 52.848 0.773 19915 1898 1 7 . 1 1 41 41 LEU CB C 41 46.674 46.674 44.061 2.613 19915 1899 1 7 . 1 1 41 41 LEU H H 41 5.887 5.887 7.583 -1.696 19915 1900 1 7 . 1 1 42 42 ASN N N 42 119.111 119.111 119.114 -0.003 19915 1901 1 7 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.896 0.052 19915 1902 1 7 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.387 1.152 19915 1903 1 7 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.969 2.849 19915 1904 1 7 . 1 1 42 42 ASN H H 42 8.211 8.211 8.406 -0.195 19915 1905 1 7 . 1 1 43 43 GLU N N 43 121.200 121.200 124.800 -3.600 19915 1906 1 7 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.939 -0.380 19915 1907 1 7 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.127 1.021 19915 1908 1 7 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.482 0.640 19915 1909 1 7 . 1 1 43 43 GLU H H 43 8.662 8.662 9.028 -0.366 19915 1910 1 7 . 1 1 44 44 GLY N N 44 114.013 114.013 115.667 -1.654 19915 1911 1 7 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.722 1.319 19915 1912 1 7 . 1 1 44 44 GLY H H 44 9.091 9.091 8.621 0.470 19915 1913 1 7 . 1 1 45 45 GLU N N 45 121.040 121.040 120.436 0.604 19915 1914 1 7 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.579 -0.407 19915 1915 1 7 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.229 3.124 19915 1916 1 7 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.235 -1.213 19915 1917 1 7 . 1 1 45 45 GLU H H 45 7.760 7.760 7.899 -0.139 19915 1918 1 7 . 1 1 46 46 HIS N N 46 126.336 126.336 120.121 6.215 19915 1919 1 7 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.676 0.337 19915 1920 1 7 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.200 1.331 19915 1921 1 7 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.521 3.170 19915 1922 1 7 . 1 1 46 46 HIS H H 46 8.785 8.785 8.164 0.621 19915 1923 1 7 . 1 1 47 47 VAL N N 47 115.822 115.822 114.444 1.378 19915 1924 1 7 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.943 0.412 19915 1925 1 7 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.514 -0.812 19915 1926 1 7 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.528 2.102 19915 1927 1 7 . 1 1 47 47 VAL H H 47 8.605 8.605 8.916 -0.311 19915 1928 1 7 . 1 1 48 48 GLU N N 48 114.820 114.820 125.340 -10.520 19915 1929 1 7 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.909 -0.268 19915 1930 1 7 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.833 1.861 19915 1931 1 7 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.110 -5.208 19915 1932 1 7 . 1 1 48 48 GLU H H 48 9.124 9.124 8.386 0.738 19915 1933 1 7 . 1 1 49 49 PHE N N 49 117.334 117.334 123.343 -6.009 19915 1934 1 7 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.589 -0.362 19915 1935 1 7 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.558 2.782 19915 1936 1 7 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.303 -1.173 19915 1937 1 7 . 1 1 49 49 PHE H H 49 8.663 8.663 8.671 -0.008 19915 1938 1 7 . 1 1 50 50 GLU N N 50 110.733 110.733 122.540 -11.807 19915 1939 1 7 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.733 0.329 19915 1940 1 7 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.728 6.252 19915 1941 1 7 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.653 0.547 19915 1942 1 7 . 1 1 50 50 GLU H H 50 8.979 8.979 8.535 0.444 19915 1943 1 7 . 1 1 51 51 VAL N N 51 121.323 121.323 120.021 1.302 19915 1944 1 7 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.505 0.193 19915 1945 1 7 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.707 -0.614 19915 1946 1 7 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.130 7.512 19915 1947 1 7 . 1 1 51 51 VAL H H 51 8.694 8.694 8.410 0.284 19915 1948 1 7 . 1 1 52 52 GLU N N 52 127.810 127.810 128.469 -0.659 19915 1949 1 7 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.805 -0.127 19915 1950 1 7 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.839 2.043 19915 1951 1 7 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.983 0.378 19915 1952 1 7 . 1 1 52 52 GLU H H 52 9.189 9.189 8.424 0.765 19915 1953 1 7 . 1 1 54 54 GLY H H 54 9.310 9.310 8.553 0.757 19915 1954 1 7 . 1 1 55 55 ARG N N 55 118.520 118.520 121.403 -2.883 19915 1955 1 7 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.514 0.006 19915 1956 1 7 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.665 3.316 19915 1957 1 7 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.623 1.621 19915 1958 1 7 . 1 1 55 55 ARG H H 55 8.772 8.772 8.005 0.767 19915 1959 1 7 . 1 1 56 56 GLY N N 56 112.512 112.512 107.420 5.092 19915 1960 1 7 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.258 1.033 19915 1961 1 7 . 1 1 56 56 GLY H H 56 7.742 7.742 7.612 0.130 19915 1962 1 7 . 1 1 57 57 GLY N N 57 123.924 123.924 109.888 14.036 19915 1963 1 7 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.199 -1.676 19915 1964 1 7 . 1 1 57 57 GLY H H 57 8.634 8.634 8.449 0.185 19915 1965 1 7 . 1 1 58 58 LYS N N 58 115.021 115.021 119.289 -4.268 19915 1966 1 7 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.498 -0.160 19915 1967 1 7 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.334 -0.261 19915 1968 1 7 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.203 -0.272 19915 1969 1 7 . 1 1 58 58 LYS H H 58 8.417 8.417 7.829 0.588 19915 1970 1 7 . 1 1 59 59 GLY N N 59 108.720 108.720 106.137 2.583 19915 1971 1 7 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.189 -0.097 19915 1972 1 7 . 1 1 59 59 GLY H H 59 7.423 7.423 7.644 -0.221 19915 1973 1 7 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.817 0.054 19915 1974 1 7 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.599 0.589 19915 1975 1 7 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.528 1.362 19915 1976 1 7 . 1 1 61 61 GLN N N 61 125.701 125.701 125.213 0.488 19915 1977 1 7 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.065 0.115 19915 1978 1 7 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.385 -1.513 19915 1979 1 7 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.871 -9.618 19915 1980 1 7 . 1 1 61 61 GLN H H 61 8.794 8.794 8.027 0.767 19915 1981 1 7 . 1 1 62 62 ALA N N 62 122.421 122.421 129.153 -6.732 19915 1982 1 7 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.443 0.606 19915 1983 1 7 . 1 1 62 62 ALA CA C 62 51.941 51.941 52.204 -0.263 19915 1984 1 7 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.096 3.824 19915 1985 1 7 . 1 1 62 62 ALA H H 62 8.898 8.898 8.752 0.146 19915 1986 1 7 . 1 1 63 63 LYS N N 63 109.000 109.000 119.417 -10.417 19915 1987 1 7 . 1 1 63 63 LYS HA H 63 4.612 4.612 4.065 0.547 19915 1988 1 7 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.737 -4.516 19915 1989 1 7 . 1 1 63 63 LYS H H 63 9.279 9.279 8.264 1.015 19915 1990 1 7 . 1 1 64 64 LYS N N 64 116.512 116.512 119.179 -2.667 19915 1991 1 7 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.463 -0.334 19915 1992 1 7 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.520 -0.249 19915 1993 1 7 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.938 4.862 19915 1994 1 7 . 1 1 64 64 LYS H H 64 9.248 9.248 7.430 1.818 19915 1995 1 7 . 1 1 65 65 VAL N N 65 118.120 118.120 125.690 -7.570 19915 1996 1 7 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.221 -0.573 19915 1997 1 7 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.051 4.179 19915 1998 1 7 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.177 -2.905 19915 1999 1 7 . 1 1 65 65 VAL H H 65 8.162 8.162 8.058 0.104 19915 2000 1 7 . 1 1 66 66 ARG N N 66 120.932 120.932 124.541 -3.609 19915 2001 1 7 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.866 -0.103 19915 2002 1 7 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.600 6.793 19915 2003 1 7 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.906 -2.394 19915 2004 1 7 . 1 1 66 66 ARG H H 66 9.023 9.023 9.093 -0.070 19915 2005 1 7 . 1 1 67 67 ARG N N 67 119.710 119.710 123.523 -3.813 19915 2006 1 7 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.276 0.351 19915 2007 1 7 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.661 3.730 19915 2008 1 7 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.795 3.738 19915 2009 1 7 . 1 1 67 67 ARG H H 67 8.798 8.798 8.631 0.167 19915 2010 1 8 . 1 1 2 2 LYS N N 2 123.000 123.000 121.632 1.368 19915 2011 1 8 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.549 0.033 19915 2012 1 8 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.922 0.473 19915 2013 1 8 . 1 1 2 2 LYS CB C 2 34.710 34.710 36.308 -1.598 19915 2014 1 8 . 1 1 2 2 LYS H H 2 8.628 8.628 8.403 0.225 19915 2015 1 8 . 1 1 3 3 LYS N N 3 107.200 107.200 119.975 -12.775 19915 2016 1 8 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.585 0.858 19915 2017 1 8 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.105 5.609 19915 2018 1 8 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.762 -3.362 19915 2019 1 8 . 1 1 3 3 LYS H H 3 7.657 7.657 8.443 -0.786 19915 2020 1 8 . 1 1 4 4 GLY N N 4 108.916 108.916 110.114 -1.198 19915 2021 1 8 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.632 1.453 19915 2022 1 8 . 1 1 4 4 GLY H H 4 8.951 8.951 8.733 0.218 19915 2023 1 8 . 1 1 5 5 THR N N 5 119.459 119.459 113.663 5.796 19915 2024 1 8 . 1 1 5 5 THR HA H 5 5.063 5.063 5.029 0.034 19915 2025 1 8 . 1 1 5 5 THR CA C 5 59.310 59.310 61.030 -1.720 19915 2026 1 8 . 1 1 5 5 THR CB C 5 72.727 72.727 70.118 2.609 19915 2027 1 8 . 1 1 5 5 THR H H 5 8.199 8.199 8.125 0.074 19915 2028 1 8 . 1 1 6 6 VAL N N 6 126.647 126.647 122.761 3.886 19915 2029 1 8 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.999 -0.469 19915 2030 1 8 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.303 4.387 19915 2031 1 8 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.706 -1.418 19915 2032 1 8 . 1 1 6 6 VAL H H 6 8.818 8.818 8.400 0.418 19915 2033 1 8 . 1 1 7 7 LYS N N 7 104.469 104.469 129.674 -25.205 19915 2034 1 8 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.487 -0.336 19915 2035 1 8 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.562 3.195 19915 2036 1 8 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.814 0.163 19915 2037 1 8 . 1 1 7 7 LYS H H 7 9.139 9.139 8.176 0.963 19915 2038 1 8 . 1 1 8 8 TRP N N 8 110.745 110.745 116.998 -6.253 19915 2039 1 8 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.679 -0.099 19915 2040 1 8 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.103 0.126 19915 2041 1 8 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.503 1.080 19915 2042 1 8 . 1 1 8 8 TRP H H 8 7.427 7.427 7.281 0.146 19915 2043 1 8 . 1 1 9 9 PHE N N 9 120.922 120.922 125.480 -4.558 19915 2044 1 8 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.811 -0.662 19915 2045 1 8 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.539 3.842 19915 2046 1 8 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.719 2.214 19915 2047 1 8 . 1 1 9 9 PHE H H 9 9.247 9.247 8.576 0.671 19915 2048 1 8 . 1 1 10 10 ASN N N 10 127.119 127.119 126.361 0.758 19915 2049 1 8 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.357 0.592 19915 2050 1 8 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.693 -0.173 19915 2051 1 8 . 1 1 10 10 ASN CB C 10 39.990 39.990 37.156 2.834 19915 2052 1 8 . 1 1 10 10 ASN H H 10 8.171 8.171 8.041 0.130 19915 2053 1 8 . 1 1 11 11 ALA N N 11 128.949 128.949 127.491 1.458 19915 2054 1 8 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.517 0.719 19915 2055 1 8 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.597 0.879 19915 2056 1 8 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.795 0.645 19915 2057 1 8 . 1 1 11 11 ALA H H 11 9.105 9.105 7.687 1.418 19915 2058 1 8 . 1 1 12 12 GLU N N 12 117.291 117.291 118.047 -0.756 19915 2059 1 8 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.954 0.520 19915 2060 1 8 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.851 -1.127 19915 2061 1 8 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.097 2.380 19915 2062 1 8 . 1 1 12 12 GLU H H 12 8.023 8.023 8.420 -0.397 19915 2063 1 8 . 1 1 13 13 LYS N N 13 116.096 116.096 115.831 0.265 19915 2064 1 8 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.197 0.080 19915 2065 1 8 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.284 1.001 19915 2066 1 8 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.375 1.118 19915 2067 1 8 . 1 1 13 13 LYS H H 13 7.437 7.437 7.988 -0.551 19915 2068 1 8 . 1 1 14 14 GLY N N 14 107.751 107.751 106.501 1.250 19915 2069 1 8 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.889 2.350 19915 2070 1 8 . 1 1 14 14 GLY H H 14 8.185 8.185 8.053 0.132 19915 2071 1 8 . 1 1 15 15 TYR N N 15 112.589 112.589 117.302 -4.713 19915 2072 1 8 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.516 -0.580 19915 2073 1 8 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.057 0.963 19915 2074 1 8 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.766 2.308 19915 2075 1 8 . 1 1 15 15 TYR H H 15 6.666 6.666 7.540 -0.874 19915 2076 1 8 . 1 1 16 16 GLY N N 16 105.623 105.623 105.837 -0.214 19915 2077 1 8 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.470 0.489 19915 2078 1 8 . 1 1 16 16 GLY H H 16 8.022 8.022 8.738 -0.716 19915 2079 1 8 . 1 1 17 17 PHE N N 17 115.128 115.128 117.805 -2.677 19915 2080 1 8 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.119 -0.080 19915 2081 1 8 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.576 0.933 19915 2082 1 8 . 1 1 17 17 PHE CB C 17 46.284 46.284 43.035 3.249 19915 2083 1 8 . 1 1 17 17 PHE H H 17 7.810 7.810 7.775 0.035 19915 2084 1 8 . 1 1 18 18 ILE N N 18 121.714 121.714 122.401 -0.687 19915 2085 1 8 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.017 0.117 19915 2086 1 8 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.747 -0.293 19915 2087 1 8 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.026 3.796 19915 2088 1 8 . 1 1 18 18 ILE H H 18 9.407 9.407 7.817 1.590 19915 2089 1 8 . 1 1 19 19 GLN N N 19 126.901 126.901 122.556 4.345 19915 2090 1 8 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.722 -0.567 19915 2091 1 8 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.410 6.883 19915 2092 1 8 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.268 1.122 19915 2093 1 8 . 1 1 19 19 GLN H H 19 9.353 9.353 8.285 1.068 19915 2094 1 8 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.436 0.281 19915 2095 1 8 . 1 1 21 21 GLU N N 21 123.394 123.394 118.928 4.466 19915 2096 1 8 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.126 0.503 19915 2097 1 8 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.969 -1.499 19915 2098 1 8 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.495 1.885 19915 2099 1 8 . 1 1 21 21 GLU H H 21 9.202 9.202 8.790 0.412 19915 2100 1 8 . 1 1 22 22 GLU N N 22 117.042 117.042 118.074 -1.032 19915 2101 1 8 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.397 0.147 19915 2102 1 8 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.853 -1.142 19915 2103 1 8 . 1 1 22 22 GLU H H 22 7.989 7.989 8.244 -0.255 19915 2104 1 8 . 1 1 23 23 GLY N N 23 107.576 107.576 111.355 -3.779 19915 2105 1 8 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.138 1.547 19915 2106 1 8 . 1 1 23 23 GLY H H 23 7.672 7.672 8.078 -0.406 19915 2107 1 8 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.435 -0.301 19915 2108 1 8 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.559 -5.705 19915 2109 1 8 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.842 1.200 19915 2110 1 8 . 1 1 25 25 ASP N N 25 118.400 118.400 118.128 0.272 19915 2111 1 8 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.824 -0.028 19915 2112 1 8 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.398 1.955 19915 2113 1 8 . 1 1 25 25 ASP CB C 25 42.201 42.201 41.949 0.252 19915 2114 1 8 . 1 1 25 25 ASP H H 25 7.974 7.974 8.325 -0.351 19915 2115 1 8 . 1 1 26 26 VAL N N 26 121.011 121.011 122.650 -1.639 19915 2116 1 8 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.448 -0.146 19915 2117 1 8 . 1 1 26 26 VAL CA C 26 61.853 61.853 59.666 2.188 19915 2118 1 8 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.435 1.479 19915 2119 1 8 . 1 1 26 26 VAL H H 26 9.319 9.319 8.288 1.031 19915 2120 1 8 . 1 1 27 27 PHE N N 27 130.309 130.309 128.442 1.867 19915 2121 1 8 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.994 -0.578 19915 2122 1 8 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.471 3.857 19915 2123 1 8 . 1 1 27 27 PHE CB C 27 41.293 41.293 39.984 1.309 19915 2124 1 8 . 1 1 27 27 PHE H H 27 8.575 8.575 8.173 0.402 19915 2125 1 8 . 1 1 28 28 VAL N N 28 124.445 124.445 122.676 1.769 19915 2126 1 8 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.816 -0.451 19915 2127 1 8 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.850 -1.257 19915 2128 1 8 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.661 -0.759 19915 2129 1 8 . 1 1 28 28 VAL H H 28 7.785 7.785 8.469 -0.684 19915 2130 1 8 . 1 1 29 29 HIS N N 29 127.048 127.048 122.798 4.250 19915 2131 1 8 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.408 -0.823 19915 2132 1 8 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.710 1.781 19915 2133 1 8 . 1 1 29 29 HIS CB C 29 34.931 34.931 34.122 0.809 19915 2134 1 8 . 1 1 29 29 HIS H H 29 8.538 8.538 8.481 0.057 19915 2135 1 8 . 1 1 30 30 PHE N N 30 123.381 123.381 121.029 2.352 19915 2136 1 8 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.714 -0.795 19915 2137 1 8 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.408 0.463 19915 2138 1 8 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.149 -0.837 19915 2139 1 8 . 1 1 30 30 PHE H H 30 8.331 8.331 9.157 -0.826 19915 2140 1 8 . 1 1 31 31 THR N N 31 117.402 117.402 112.024 5.378 19915 2141 1 8 . 1 1 31 31 THR HA H 31 3.656 3.656 3.870 -0.214 19915 2142 1 8 . 1 1 31 31 THR CA C 31 60.891 60.891 61.134 -0.243 19915 2143 1 8 . 1 1 31 31 THR CB C 31 63.467 63.467 67.381 -3.914 19915 2144 1 8 . 1 1 31 31 THR H H 31 7.606 7.606 8.017 -0.411 19915 2145 1 8 . 1 1 32 32 ALA N N 32 124.423 124.423 122.113 2.310 19915 2146 1 8 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.625 -0.234 19915 2147 1 8 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.273 2.197 19915 2148 1 8 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.999 0.721 19915 2149 1 8 . 1 1 32 32 ALA H H 32 8.045 8.045 7.816 0.229 19915 2150 1 8 . 1 1 33 33 ILE N N 33 119.413 119.413 120.380 -0.967 19915 2151 1 8 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.082 -0.200 19915 2152 1 8 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.689 1.941 19915 2153 1 8 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.539 0.251 19915 2154 1 8 . 1 1 33 33 ILE H H 33 7.471 7.471 7.310 0.161 19915 2155 1 8 . 1 1 34 34 GLU N N 34 127.220 127.220 128.270 -1.050 19915 2156 1 8 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.638 -0.332 19915 2157 1 8 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.017 1.274 19915 2158 1 8 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.154 0.756 19915 2159 1 8 . 1 1 34 34 GLU H H 34 8.973 8.973 8.255 0.718 19915 2160 1 8 . 1 1 35 35 ALA N N 35 119.122 119.122 124.566 -5.444 19915 2161 1 8 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.517 0.105 19915 2162 1 8 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.832 3.318 19915 2163 1 8 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.841 -1.014 19915 2164 1 8 . 1 1 35 35 ALA H H 35 7.557 7.557 7.759 -0.202 19915 2165 1 8 . 1 1 36 36 ASP N N 36 121.814 121.814 120.600 1.214 19915 2166 1 8 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.710 -0.135 19915 2167 1 8 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.413 2.569 19915 2168 1 8 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.714 1.977 19915 2169 1 8 . 1 1 36 36 ASP H H 36 8.582 8.582 8.613 -0.031 19915 2170 1 8 . 1 1 37 37 GLY N N 37 109.101 109.101 110.379 -1.278 19915 2171 1 8 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.553 1.555 19915 2172 1 8 . 1 1 37 37 GLY H H 37 8.297 8.297 7.542 0.755 19915 2173 1 8 . 1 1 38 38 PHE N N 38 121.524 121.524 124.913 -3.389 19915 2174 1 8 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.476 -0.426 19915 2175 1 8 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.410 1.640 19915 2176 1 8 . 1 1 38 38 PHE CB C 38 39.273 39.273 38.939 0.334 19915 2177 1 8 . 1 1 38 38 PHE H H 38 7.972 7.972 8.225 -0.253 19915 2178 1 8 . 1 1 40 40 THR HA H 40 3.776 3.776 4.317 -0.541 19915 2179 1 8 . 1 1 40 40 THR CA C 40 57.432 57.432 60.302 -2.870 19915 2180 1 8 . 1 1 40 40 THR CB C 40 64.914 64.914 71.367 -6.453 19915 2181 1 8 . 1 1 40 40 THR H H 40 7.370 7.370 7.984 -0.614 19915 2182 1 8 . 1 1 41 41 LEU N N 41 119.141 119.141 120.910 -1.769 19915 2183 1 8 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.439 -0.006 19915 2184 1 8 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.263 0.358 19915 2185 1 8 . 1 1 41 41 LEU CB C 41 46.674 46.674 44.511 2.163 19915 2186 1 8 . 1 1 41 41 LEU H H 41 5.887 5.887 7.953 -2.066 19915 2187 1 8 . 1 1 42 42 ASN N N 42 119.111 119.111 120.834 -1.723 19915 2188 1 8 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.919 0.029 19915 2189 1 8 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.584 0.956 19915 2190 1 8 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.099 2.719 19915 2191 1 8 . 1 1 42 42 ASN H H 42 8.211 8.211 8.607 -0.396 19915 2192 1 8 . 1 1 43 43 GLU N N 43 121.200 121.200 125.097 -3.897 19915 2193 1 8 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.970 -0.411 19915 2194 1 8 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.054 1.094 19915 2195 1 8 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.589 0.533 19915 2196 1 8 . 1 1 43 43 GLU H H 43 8.662 8.662 9.038 -0.376 19915 2197 1 8 . 1 1 44 44 GLY N N 44 114.013 114.013 115.827 -1.814 19915 2198 1 8 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.768 1.273 19915 2199 1 8 . 1 1 44 44 GLY H H 44 9.091 9.091 8.731 0.360 19915 2200 1 8 . 1 1 45 45 GLU N N 45 121.040 121.040 120.426 0.614 19915 2201 1 8 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.582 -0.410 19915 2202 1 8 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.283 3.070 19915 2203 1 8 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.188 -1.166 19915 2204 1 8 . 1 1 45 45 GLU H H 45 7.760 7.760 7.846 -0.086 19915 2205 1 8 . 1 1 46 46 HIS N N 46 126.336 126.336 120.322 6.014 19915 2206 1 8 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.698 0.315 19915 2207 1 8 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.089 1.443 19915 2208 1 8 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.495 3.196 19915 2209 1 8 . 1 1 46 46 HIS H H 46 8.785 8.785 8.183 0.602 19915 2210 1 8 . 1 1 47 47 VAL N N 47 115.822 115.822 114.448 1.374 19915 2211 1 8 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.946 0.409 19915 2212 1 8 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.540 -0.838 19915 2213 1 8 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.539 2.091 19915 2214 1 8 . 1 1 47 47 VAL H H 47 8.605 8.605 8.957 -0.352 19915 2215 1 8 . 1 1 48 48 GLU N N 48 114.820 114.820 125.224 -10.404 19915 2216 1 8 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.940 -0.299 19915 2217 1 8 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.849 1.845 19915 2218 1 8 . 1 1 48 48 GLU CB C 48 26.902 26.902 31.983 -5.081 19915 2219 1 8 . 1 1 48 48 GLU H H 48 9.124 9.124 8.364 0.760 19915 2220 1 8 . 1 1 49 49 PHE N N 49 117.334 117.334 123.604 -6.270 19915 2221 1 8 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.611 -0.384 19915 2222 1 8 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.501 2.839 19915 2223 1 8 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.291 -1.161 19915 2224 1 8 . 1 1 49 49 PHE H H 49 8.663 8.663 8.728 -0.065 19915 2225 1 8 . 1 1 50 50 GLU N N 50 110.733 110.733 121.836 -11.103 19915 2226 1 8 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.616 0.446 19915 2227 1 8 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.982 5.998 19915 2228 1 8 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.566 0.634 19915 2229 1 8 . 1 1 50 50 GLU H H 50 8.979 8.979 8.538 0.441 19915 2230 1 8 . 1 1 51 51 VAL N N 51 121.323 121.323 120.976 0.347 19915 2231 1 8 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.635 0.063 19915 2232 1 8 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.797 -0.704 19915 2233 1 8 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.172 7.470 19915 2234 1 8 . 1 1 51 51 VAL H H 51 8.694 8.694 8.320 0.374 19915 2235 1 8 . 1 1 52 52 GLU N N 52 127.810 127.810 128.764 -0.954 19915 2236 1 8 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.906 -0.228 19915 2237 1 8 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.794 2.088 19915 2238 1 8 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.208 0.153 19915 2239 1 8 . 1 1 52 52 GLU H H 52 9.189 9.189 8.302 0.887 19915 2240 1 8 . 1 1 54 54 GLY H H 54 9.310 9.310 8.603 0.707 19915 2241 1 8 . 1 1 55 55 ARG N N 55 118.520 118.520 120.233 -1.713 19915 2242 1 8 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.539 -0.019 19915 2243 1 8 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.746 3.235 19915 2244 1 8 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.029 1.215 19915 2245 1 8 . 1 1 55 55 ARG H H 55 8.772 8.772 8.177 0.595 19915 2246 1 8 . 1 1 56 56 GLY N N 56 112.512 112.512 107.006 5.506 19915 2247 1 8 . 1 1 56 56 GLY CA C 56 45.291 45.291 43.977 1.314 19915 2248 1 8 . 1 1 56 56 GLY H H 56 7.742 7.742 7.688 0.054 19915 2249 1 8 . 1 1 57 57 GLY N N 57 123.924 123.924 109.166 14.758 19915 2250 1 8 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.279 -1.756 19915 2251 1 8 . 1 1 57 57 GLY H H 57 8.634 8.634 8.266 0.368 19915 2252 1 8 . 1 1 58 58 LYS N N 58 115.021 115.021 120.432 -5.411 19915 2253 1 8 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.568 -0.230 19915 2254 1 8 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.385 -0.312 19915 2255 1 8 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.118 -0.187 19915 2256 1 8 . 1 1 58 58 LYS H H 58 8.417 8.417 8.285 0.132 19915 2257 1 8 . 1 1 59 59 GLY N N 59 108.720 108.720 106.310 2.410 19915 2258 1 8 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.260 -0.168 19915 2259 1 8 . 1 1 59 59 GLY H H 59 7.423 7.423 7.849 -0.426 19915 2260 1 8 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.927 -0.056 19915 2261 1 8 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.656 0.532 19915 2262 1 8 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.254 1.636 19915 2263 1 8 . 1 1 61 61 GLN N N 61 125.701 125.701 125.155 0.546 19915 2264 1 8 . 1 1 61 61 GLN HA H 61 5.180 5.180 4.976 0.204 19915 2265 1 8 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.446 -1.574 19915 2266 1 8 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.812 -9.559 19915 2267 1 8 . 1 1 61 61 GLN H H 61 8.794 8.794 8.127 0.667 19915 2268 1 8 . 1 1 62 62 ALA N N 62 122.421 122.421 126.865 -4.444 19915 2269 1 8 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.519 0.530 19915 2270 1 8 . 1 1 62 62 ALA CA C 62 51.941 51.941 52.065 -0.124 19915 2271 1 8 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.147 3.773 19915 2272 1 8 . 1 1 62 62 ALA H H 62 8.898 8.898 8.666 0.232 19915 2273 1 8 . 1 1 63 63 LYS N N 63 109.000 109.000 118.924 -9.924 19915 2274 1 8 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.990 0.622 19915 2275 1 8 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.556 -4.335 19915 2276 1 8 . 1 1 63 63 LYS H H 63 9.279 9.279 8.070 1.209 19915 2277 1 8 . 1 1 64 64 LYS N N 64 116.512 116.512 119.201 -2.689 19915 2278 1 8 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.457 -0.328 19915 2279 1 8 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.403 -0.132 19915 2280 1 8 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.902 4.898 19915 2281 1 8 . 1 1 64 64 LYS H H 64 9.248 9.248 7.434 1.814 19915 2282 1 8 . 1 1 65 65 VAL N N 65 118.120 118.120 125.674 -7.554 19915 2283 1 8 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.205 -0.557 19915 2284 1 8 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.000 4.231 19915 2285 1 8 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.173 -2.901 19915 2286 1 8 . 1 1 65 65 VAL H H 65 8.162 8.162 8.061 0.101 19915 2287 1 8 . 1 1 66 66 ARG N N 66 120.932 120.932 124.362 -3.430 19915 2288 1 8 . 1 1 66 66 ARG HA H 66 4.763 4.763 5.042 -0.279 19915 2289 1 8 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.501 6.892 19915 2290 1 8 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.824 -2.312 19915 2291 1 8 . 1 1 66 66 ARG H H 66 9.023 9.023 9.011 0.012 19915 2292 1 8 . 1 1 67 67 ARG N N 67 119.710 119.710 123.309 -3.599 19915 2293 1 8 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.308 0.319 19915 2294 1 8 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.432 3.959 19915 2295 1 8 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.728 3.805 19915 2296 1 8 . 1 1 67 67 ARG H H 67 8.798 8.798 8.621 0.177 19915 2297 1 9 . 1 1 2 2 LYS N N 2 123.000 123.000 121.583 1.417 19915 2298 1 9 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.562 0.020 19915 2299 1 9 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.484 0.911 19915 2300 1 9 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.283 -0.573 19915 2301 1 9 . 1 1 2 2 LYS H H 2 8.628 8.628 8.293 0.335 19915 2302 1 9 . 1 1 3 3 LYS N N 3 107.200 107.200 119.365 -12.165 19915 2303 1 9 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.551 0.892 19915 2304 1 9 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.021 5.693 19915 2305 1 9 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.243 -3.843 19915 2306 1 9 . 1 1 3 3 LYS H H 3 7.657 7.657 8.364 -0.707 19915 2307 1 9 . 1 1 4 4 GLY N N 4 108.916 108.916 110.067 -1.151 19915 2308 1 9 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.807 1.278 19915 2309 1 9 . 1 1 4 4 GLY H H 4 8.951 8.951 8.756 0.195 19915 2310 1 9 . 1 1 5 5 THR N N 5 119.459 119.459 114.377 5.082 19915 2311 1 9 . 1 1 5 5 THR HA H 5 5.063 5.063 4.913 0.150 19915 2312 1 9 . 1 1 5 5 THR CA C 5 59.310 59.310 60.832 -1.522 19915 2313 1 9 . 1 1 5 5 THR CB C 5 72.727 72.727 70.139 2.588 19915 2314 1 9 . 1 1 5 5 THR H H 5 8.199 8.199 8.150 0.049 19915 2315 1 9 . 1 1 6 6 VAL N N 6 126.647 126.647 122.807 3.840 19915 2316 1 9 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.908 -0.378 19915 2317 1 9 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.768 3.922 19915 2318 1 9 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.177 -0.889 19915 2319 1 9 . 1 1 6 6 VAL H H 6 8.818 8.818 8.498 0.320 19915 2320 1 9 . 1 1 7 7 LYS N N 7 104.469 104.469 128.616 -24.147 19915 2321 1 9 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.428 -0.277 19915 2322 1 9 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.417 3.340 19915 2323 1 9 . 1 1 7 7 LYS CB C 7 34.977 34.977 35.039 -0.062 19915 2324 1 9 . 1 1 7 7 LYS H H 7 9.139 9.139 8.281 0.858 19915 2325 1 9 . 1 1 8 8 TRP N N 8 110.745 110.745 116.625 -5.880 19915 2326 1 9 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.701 -0.121 19915 2327 1 9 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.278 -0.049 19915 2328 1 9 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.494 2.089 19915 2329 1 9 . 1 1 8 8 TRP H H 8 7.427 7.427 7.367 0.060 19915 2330 1 9 . 1 1 9 9 PHE N N 9 120.922 120.922 125.957 -5.035 19915 2331 1 9 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.748 -0.599 19915 2332 1 9 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.040 3.341 19915 2333 1 9 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.131 1.802 19915 2334 1 9 . 1 1 9 9 PHE H H 9 9.247 9.247 8.518 0.729 19915 2335 1 9 . 1 1 10 10 ASN N N 10 127.119 127.119 126.336 0.783 19915 2336 1 9 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.510 0.439 19915 2337 1 9 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.174 0.346 19915 2338 1 9 . 1 1 10 10 ASN CB C 10 39.990 39.990 37.748 2.242 19915 2339 1 9 . 1 1 10 10 ASN H H 10 8.171 8.171 8.027 0.144 19915 2340 1 9 . 1 1 11 11 ALA N N 11 128.949 128.949 128.491 0.458 19915 2341 1 9 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.087 0.149 19915 2342 1 9 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.291 1.185 19915 2343 1 9 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.732 0.708 19915 2344 1 9 . 1 1 11 11 ALA H H 11 9.105 9.105 8.145 0.960 19915 2345 1 9 . 1 1 12 12 GLU N N 12 117.291 117.291 117.912 -0.621 19915 2346 1 9 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.129 0.345 19915 2347 1 9 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.460 -0.736 19915 2348 1 9 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.526 1.951 19915 2349 1 9 . 1 1 12 12 GLU H H 12 8.023 8.023 7.969 0.054 19915 2350 1 9 . 1 1 13 13 LYS N N 13 116.096 116.096 115.528 0.568 19915 2351 1 9 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.358 -0.081 19915 2352 1 9 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.306 0.979 19915 2353 1 9 . 1 1 13 13 LYS CB C 13 34.493 34.493 34.091 0.402 19915 2354 1 9 . 1 1 13 13 LYS H H 13 7.437 7.437 8.281 -0.844 19915 2355 1 9 . 1 1 14 14 GLY N N 14 107.751 107.751 107.024 0.727 19915 2356 1 9 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.987 2.252 19915 2357 1 9 . 1 1 14 14 GLY H H 14 8.185 8.185 8.169 0.016 19915 2358 1 9 . 1 1 15 15 TYR N N 15 112.589 112.589 116.479 -3.890 19915 2359 1 9 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.293 -0.357 19915 2360 1 9 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.022 0.998 19915 2361 1 9 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.526 2.548 19915 2362 1 9 . 1 1 15 15 TYR H H 15 6.666 6.666 7.411 -0.745 19915 2363 1 9 . 1 1 16 16 GLY N N 16 105.623 105.623 105.704 -0.081 19915 2364 1 9 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.318 0.641 19915 2365 1 9 . 1 1 16 16 GLY H H 16 8.022 8.022 8.497 -0.475 19915 2366 1 9 . 1 1 17 17 PHE N N 17 115.128 115.128 116.854 -1.726 19915 2367 1 9 . 1 1 17 17 PHE HA H 17 5.039 5.039 4.998 0.041 19915 2368 1 9 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.492 1.017 19915 2369 1 9 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.993 3.291 19915 2370 1 9 . 1 1 17 17 PHE H H 17 7.810 7.810 7.809 0.001 19915 2371 1 9 . 1 1 18 18 ILE N N 18 121.714 121.714 121.930 -0.216 19915 2372 1 9 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.041 0.093 19915 2373 1 9 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.947 -0.493 19915 2374 1 9 . 1 1 18 18 ILE CB C 18 42.821 42.821 38.997 3.824 19915 2375 1 9 . 1 1 18 18 ILE H H 18 9.407 9.407 7.973 1.434 19915 2376 1 9 . 1 1 19 19 GLN N N 19 126.901 126.901 125.446 1.455 19915 2377 1 9 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.726 -0.571 19915 2378 1 9 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.639 6.654 19915 2379 1 9 . 1 1 19 19 GLN CB C 19 31.390 31.390 29.699 1.691 19915 2380 1 9 . 1 1 19 19 GLN H H 19 9.353 9.353 8.359 0.994 19915 2381 1 9 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.335 0.382 19915 2382 1 9 . 1 1 21 21 GLU N N 21 123.394 123.394 119.270 4.124 19915 2383 1 9 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.029 0.600 19915 2384 1 9 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.971 -1.500 19915 2385 1 9 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.418 1.962 19915 2386 1 9 . 1 1 21 21 GLU H H 21 9.202 9.202 8.853 0.349 19915 2387 1 9 . 1 1 22 22 GLU N N 22 117.042 117.042 118.086 -1.044 19915 2388 1 9 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.379 0.165 19915 2389 1 9 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.939 -1.228 19915 2390 1 9 . 1 1 22 22 GLU H H 22 7.989 7.989 8.161 -0.172 19915 2391 1 9 . 1 1 23 23 GLY N N 23 107.576 107.576 111.316 -3.740 19915 2392 1 9 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.032 1.653 19915 2393 1 9 . 1 1 23 23 GLY H H 23 7.672 7.672 8.003 -0.331 19915 2394 1 9 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.467 -0.333 19915 2395 1 9 . 1 1 24 24 PRO CA C 24 57.854 57.854 64.000 -6.146 19915 2396 1 9 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.682 1.359 19915 2397 1 9 . 1 1 25 25 ASP N N 25 118.400 118.400 117.270 1.130 19915 2398 1 9 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.693 0.103 19915 2399 1 9 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.934 2.419 19915 2400 1 9 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.401 1.800 19915 2401 1 9 . 1 1 25 25 ASP H H 25 7.974 7.974 8.146 -0.172 19915 2402 1 9 . 1 1 26 26 VAL N N 26 121.011 121.011 121.107 -0.096 19915 2403 1 9 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.576 -0.274 19915 2404 1 9 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.787 1.066 19915 2405 1 9 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.521 0.393 19915 2406 1 9 . 1 1 26 26 VAL H H 26 9.319 9.319 8.267 1.052 19915 2407 1 9 . 1 1 27 27 PHE N N 27 130.309 130.309 128.299 2.010 19915 2408 1 9 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.100 -0.684 19915 2409 1 9 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.243 4.086 19915 2410 1 9 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.850 0.443 19915 2411 1 9 . 1 1 27 27 PHE H H 27 8.575 8.575 8.352 0.223 19915 2412 1 9 . 1 1 28 28 VAL N N 28 124.445 124.445 123.825 0.620 19915 2413 1 9 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.785 -0.420 19915 2414 1 9 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.200 -0.607 19915 2415 1 9 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.482 -0.580 19915 2416 1 9 . 1 1 28 28 VAL H H 28 7.785 7.785 8.309 -0.524 19915 2417 1 9 . 1 1 29 29 HIS N N 29 127.048 127.048 123.917 3.131 19915 2418 1 9 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.262 -0.677 19915 2419 1 9 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.761 1.730 19915 2420 1 9 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.988 0.943 19915 2421 1 9 . 1 1 29 29 HIS H H 29 8.538 8.538 8.380 0.158 19915 2422 1 9 . 1 1 30 30 PHE N N 30 123.381 123.381 120.249 3.132 19915 2423 1 9 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.988 -1.069 19915 2424 1 9 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.156 0.715 19915 2425 1 9 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.037 -0.725 19915 2426 1 9 . 1 1 30 30 PHE H H 30 8.331 8.331 8.949 -0.618 19915 2427 1 9 . 1 1 31 31 THR N N 31 117.402 117.402 112.890 4.512 19915 2428 1 9 . 1 1 31 31 THR HA H 31 3.656 3.656 3.910 -0.254 19915 2429 1 9 . 1 1 31 31 THR CA C 31 60.891 60.891 62.920 -2.029 19915 2430 1 9 . 1 1 31 31 THR CB C 31 63.467 63.467 67.703 -4.236 19915 2431 1 9 . 1 1 31 31 THR H H 31 7.606 7.606 7.915 -0.309 19915 2432 1 9 . 1 1 32 32 ALA N N 32 124.423 124.423 121.490 2.933 19915 2433 1 9 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.637 -0.246 19915 2434 1 9 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.284 2.186 19915 2435 1 9 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.872 0.848 19915 2436 1 9 . 1 1 32 32 ALA H H 32 8.045 8.045 7.845 0.200 19915 2437 1 9 . 1 1 33 33 ILE N N 33 119.413 119.413 119.491 -0.078 19915 2438 1 9 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.079 -0.197 19915 2439 1 9 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.875 1.755 19915 2440 1 9 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.548 0.243 19915 2441 1 9 . 1 1 33 33 ILE H H 33 7.471 7.471 7.336 0.135 19915 2442 1 9 . 1 1 34 34 GLU N N 34 127.220 127.220 128.018 -0.798 19915 2443 1 9 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.563 -0.257 19915 2444 1 9 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.370 0.921 19915 2445 1 9 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.267 0.642 19915 2446 1 9 . 1 1 34 34 GLU H H 34 8.973 8.973 8.494 0.479 19915 2447 1 9 . 1 1 35 35 ALA N N 35 119.122 119.122 124.304 -5.182 19915 2448 1 9 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.612 0.010 19915 2449 1 9 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.241 2.909 19915 2450 1 9 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.184 -1.357 19915 2451 1 9 . 1 1 35 35 ALA H H 35 7.557 7.557 7.755 -0.198 19915 2452 1 9 . 1 1 36 36 ASP N N 36 121.814 121.814 121.732 0.082 19915 2453 1 9 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.726 -0.151 19915 2454 1 9 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.238 1.744 19915 2455 1 9 . 1 1 36 36 ASP CB C 36 41.691 41.691 40.251 1.440 19915 2456 1 9 . 1 1 36 36 ASP H H 36 8.582 8.582 8.698 -0.116 19915 2457 1 9 . 1 1 37 37 GLY N N 37 109.101 109.101 110.257 -1.156 19915 2458 1 9 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.565 1.543 19915 2459 1 9 . 1 1 37 37 GLY H H 37 8.297 8.297 7.706 0.591 19915 2460 1 9 . 1 1 38 38 PHE N N 38 121.524 121.524 125.030 -3.506 19915 2461 1 9 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.444 -0.394 19915 2462 1 9 . 1 1 38 38 PHE CA C 38 59.050 59.050 58.262 0.788 19915 2463 1 9 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.034 0.239 19915 2464 1 9 . 1 1 38 38 PHE H H 38 7.972 7.972 8.643 -0.671 19915 2465 1 9 . 1 1 40 40 THR HA H 40 3.776 3.776 3.932 -0.156 19915 2466 1 9 . 1 1 40 40 THR CA C 40 57.432 57.432 59.787 -2.355 19915 2467 1 9 . 1 1 40 40 THR CB C 40 64.914 64.914 71.155 -6.241 19915 2468 1 9 . 1 1 40 40 THR H H 40 7.370 7.370 7.940 -0.570 19915 2469 1 9 . 1 1 41 41 LEU N N 41 119.141 119.141 118.979 0.162 19915 2470 1 9 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.530 -0.097 19915 2471 1 9 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.191 0.430 19915 2472 1 9 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.041 3.634 19915 2473 1 9 . 1 1 41 41 LEU H H 41 5.887 5.887 7.016 -1.129 19915 2474 1 9 . 1 1 42 42 ASN N N 42 119.111 119.111 118.718 0.393 19915 2475 1 9 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.865 0.083 19915 2476 1 9 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.354 1.185 19915 2477 1 9 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.273 2.545 19915 2478 1 9 . 1 1 42 42 ASN H H 42 8.211 8.211 8.369 -0.158 19915 2479 1 9 . 1 1 43 43 GLU N N 43 121.200 121.200 124.993 -3.793 19915 2480 1 9 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.932 -0.373 19915 2481 1 9 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.200 0.948 19915 2482 1 9 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.443 0.679 19915 2483 1 9 . 1 1 43 43 GLU H H 43 8.662 8.662 9.005 -0.343 19915 2484 1 9 . 1 1 44 44 GLY N N 44 114.013 114.013 114.964 -0.951 19915 2485 1 9 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.795 1.246 19915 2486 1 9 . 1 1 44 44 GLY H H 44 9.091 9.091 8.445 0.646 19915 2487 1 9 . 1 1 45 45 GLU N N 45 121.040 121.040 121.137 -0.097 19915 2488 1 9 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.765 -0.593 19915 2489 1 9 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.117 3.236 19915 2490 1 9 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.227 -1.205 19915 2491 1 9 . 1 1 45 45 GLU H H 45 7.760 7.760 7.976 -0.216 19915 2492 1 9 . 1 1 46 46 HIS N N 46 126.336 126.336 120.117 6.219 19915 2493 1 9 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.661 0.352 19915 2494 1 9 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.101 1.431 19915 2495 1 9 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.679 3.012 19915 2496 1 9 . 1 1 46 46 HIS H H 46 8.785 8.785 8.198 0.587 19915 2497 1 9 . 1 1 47 47 VAL N N 47 115.822 115.822 115.542 0.280 19915 2498 1 9 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.885 0.470 19915 2499 1 9 . 1 1 47 47 VAL CA C 47 59.702 59.702 59.906 -0.204 19915 2500 1 9 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.050 2.580 19915 2501 1 9 . 1 1 47 47 VAL H H 47 8.605 8.605 8.839 -0.234 19915 2502 1 9 . 1 1 48 48 GLU N N 48 114.820 114.820 125.366 -10.546 19915 2503 1 9 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.869 -0.228 19915 2504 1 9 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.734 1.960 19915 2505 1 9 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.045 -5.143 19915 2506 1 9 . 1 1 48 48 GLU H H 48 9.124 9.124 8.401 0.723 19915 2507 1 9 . 1 1 49 49 PHE N N 49 117.334 117.334 123.216 -5.882 19915 2508 1 9 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.619 -0.392 19915 2509 1 9 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.662 2.678 19915 2510 1 9 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.459 -1.329 19915 2511 1 9 . 1 1 49 49 PHE H H 49 8.663 8.663 8.634 0.029 19915 2512 1 9 . 1 1 50 50 GLU N N 50 110.733 110.733 122.580 -11.847 19915 2513 1 9 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.696 0.366 19915 2514 1 9 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.655 6.325 19915 2515 1 9 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.118 0.082 19915 2516 1 9 . 1 1 50 50 GLU H H 50 8.979 8.979 8.489 0.490 19915 2517 1 9 . 1 1 51 51 VAL N N 51 121.323 121.323 121.050 0.273 19915 2518 1 9 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.604 0.094 19915 2519 1 9 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.703 -0.610 19915 2520 1 9 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.983 7.659 19915 2521 1 9 . 1 1 51 51 VAL H H 51 8.694 8.694 8.325 0.369 19915 2522 1 9 . 1 1 52 52 GLU N N 52 127.810 127.810 128.783 -0.973 19915 2523 1 9 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.918 -0.240 19915 2524 1 9 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.248 2.634 19915 2525 1 9 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.018 0.343 19915 2526 1 9 . 1 1 52 52 GLU H H 52 9.189 9.189 8.249 0.940 19915 2527 1 9 . 1 1 54 54 GLY H H 54 9.310 9.310 8.587 0.723 19915 2528 1 9 . 1 1 55 55 ARG N N 55 118.520 118.520 120.481 -1.961 19915 2529 1 9 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.452 0.068 19915 2530 1 9 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.851 3.130 19915 2531 1 9 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.652 1.592 19915 2532 1 9 . 1 1 55 55 ARG H H 55 8.772 8.772 7.889 0.883 19915 2533 1 9 . 1 1 56 56 GLY N N 56 112.512 112.512 107.386 5.126 19915 2534 1 9 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.676 0.615 19915 2535 1 9 . 1 1 56 56 GLY H H 56 7.742 7.742 7.615 0.127 19915 2536 1 9 . 1 1 57 57 GLY N N 57 123.924 123.924 109.320 14.604 19915 2537 1 9 . 1 1 57 57 GLY CA C 57 45.523 45.523 46.870 -1.347 19915 2538 1 9 . 1 1 57 57 GLY H H 57 8.634 8.634 8.256 0.378 19915 2539 1 9 . 1 1 58 58 LYS N N 58 115.021 115.021 119.363 -4.342 19915 2540 1 9 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.505 -0.167 19915 2541 1 9 . 1 1 58 58 LYS CA C 58 56.073 56.073 57.393 -1.320 19915 2542 1 9 . 1 1 58 58 LYS CB C 58 32.932 32.932 34.847 -1.915 19915 2543 1 9 . 1 1 58 58 LYS H H 58 8.417 8.417 8.381 0.036 19915 2544 1 9 . 1 1 59 59 GLY N N 59 108.720 108.720 107.388 1.332 19915 2545 1 9 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.317 -0.225 19915 2546 1 9 . 1 1 59 59 GLY H H 59 7.423 7.423 7.781 -0.358 19915 2547 1 9 . 1 1 60 60 PRO HA H 60 4.871 4.871 5.003 -0.132 19915 2548 1 9 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.657 0.531 19915 2549 1 9 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.122 1.768 19915 2550 1 9 . 1 1 61 61 GLN N N 61 125.701 125.701 123.184 2.517 19915 2551 1 9 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.187 -0.007 19915 2552 1 9 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.201 -1.329 19915 2553 1 9 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.228 -8.975 19915 2554 1 9 . 1 1 61 61 GLN H H 61 8.794 8.794 8.172 0.622 19915 2555 1 9 . 1 1 62 62 ALA N N 62 122.421 122.421 121.644 0.777 19915 2556 1 9 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.717 0.332 19915 2557 1 9 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.396 0.545 19915 2558 1 9 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.761 3.159 19915 2559 1 9 . 1 1 62 62 ALA H H 62 8.898 8.898 8.443 0.455 19915 2560 1 9 . 1 1 63 63 LYS N N 63 109.000 109.000 120.603 -11.603 19915 2561 1 9 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.985 0.627 19915 2562 1 9 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.930 -4.709 19915 2563 1 9 . 1 1 63 63 LYS H H 63 9.279 9.279 8.069 1.210 19915 2564 1 9 . 1 1 64 64 LYS N N 64 116.512 116.512 118.713 -2.201 19915 2565 1 9 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.539 -0.410 19915 2566 1 9 . 1 1 64 64 LYS CA C 64 55.271 55.271 54.830 0.441 19915 2567 1 9 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.374 5.426 19915 2568 1 9 . 1 1 64 64 LYS H H 64 9.248 9.248 7.439 1.809 19915 2569 1 9 . 1 1 65 65 VAL N N 65 118.120 118.120 125.720 -7.600 19915 2570 1 9 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.163 -0.515 19915 2571 1 9 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.440 3.791 19915 2572 1 9 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.447 -3.175 19915 2573 1 9 . 1 1 65 65 VAL H H 65 8.162 8.162 8.302 -0.140 19915 2574 1 9 . 1 1 66 66 ARG N N 66 120.932 120.932 124.669 -3.737 19915 2575 1 9 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.849 -0.086 19915 2576 1 9 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.998 6.395 19915 2577 1 9 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.836 -2.324 19915 2578 1 9 . 1 1 66 66 ARG H H 66 9.023 9.023 9.120 -0.097 19915 2579 1 9 . 1 1 67 67 ARG N N 67 119.710 119.710 124.097 -4.387 19915 2580 1 9 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.262 0.365 19915 2581 1 9 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.744 3.647 19915 2582 1 9 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.742 3.791 19915 2583 1 9 . 1 1 67 67 ARG H H 67 8.798 8.798 8.641 0.157 19915 2584 1 10 . 1 1 2 2 LYS N N 2 123.000 123.000 120.863 2.137 19915 2585 1 10 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.546 0.036 19915 2586 1 10 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.324 1.071 19915 2587 1 10 . 1 1 2 2 LYS CB C 2 34.710 34.710 36.128 -1.418 19915 2588 1 10 . 1 1 2 2 LYS H H 2 8.628 8.628 8.257 0.371 19915 2589 1 10 . 1 1 3 3 LYS N N 3 107.200 107.200 119.604 -12.404 19915 2590 1 10 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.751 0.692 19915 2591 1 10 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.022 5.692 19915 2592 1 10 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.667 -3.268 19915 2593 1 10 . 1 1 3 3 LYS H H 3 7.657 7.657 8.614 -0.957 19915 2594 1 10 . 1 1 4 4 GLY N N 4 108.916 108.916 110.378 -1.462 19915 2595 1 10 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.514 1.571 19915 2596 1 10 . 1 1 4 4 GLY H H 4 8.951 8.951 8.820 0.131 19915 2597 1 10 . 1 1 5 5 THR N N 5 119.459 119.459 114.027 5.432 19915 2598 1 10 . 1 1 5 5 THR HA H 5 5.063 5.063 4.950 0.113 19915 2599 1 10 . 1 1 5 5 THR CA C 5 59.310 59.310 61.138 -1.828 19915 2600 1 10 . 1 1 5 5 THR CB C 5 72.727 72.727 69.889 2.838 19915 2601 1 10 . 1 1 5 5 THR H H 5 8.199 8.199 8.156 0.043 19915 2602 1 10 . 1 1 6 6 VAL N N 6 126.647 126.647 123.682 2.965 19915 2603 1 10 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.963 -0.433 19915 2604 1 10 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.400 4.290 19915 2605 1 10 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.486 -1.198 19915 2606 1 10 . 1 1 6 6 VAL H H 6 8.818 8.818 8.364 0.454 19915 2607 1 10 . 1 1 7 7 LYS N N 7 104.469 104.469 129.621 -25.152 19915 2608 1 10 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.474 -0.323 19915 2609 1 10 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.573 3.184 19915 2610 1 10 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.695 0.282 19915 2611 1 10 . 1 1 7 7 LYS H H 7 9.139 9.139 8.139 1.000 19915 2612 1 10 . 1 1 8 8 TRP N N 8 110.745 110.745 116.301 -5.556 19915 2613 1 10 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.732 -0.152 19915 2614 1 10 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.766 0.463 19915 2615 1 10 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.610 1.973 19915 2616 1 10 . 1 1 8 8 TRP H H 8 7.427 7.427 7.374 0.053 19915 2617 1 10 . 1 1 9 9 PHE N N 9 120.922 120.922 125.290 -4.368 19915 2618 1 10 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.721 -0.572 19915 2619 1 10 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.702 3.679 19915 2620 1 10 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.110 1.823 19915 2621 1 10 . 1 1 9 9 PHE H H 9 9.247 9.247 8.505 0.742 19915 2622 1 10 . 1 1 10 10 ASN N N 10 127.119 127.119 126.690 0.429 19915 2623 1 10 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.491 0.458 19915 2624 1 10 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.426 0.094 19915 2625 1 10 . 1 1 10 10 ASN CB C 10 39.990 39.990 37.580 2.410 19915 2626 1 10 . 1 1 10 10 ASN H H 10 8.171 8.171 8.131 0.040 19915 2627 1 10 . 1 1 11 11 ALA N N 11 128.949 128.949 127.920 1.029 19915 2628 1 10 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.013 0.223 19915 2629 1 10 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.493 0.983 19915 2630 1 10 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.888 0.552 19915 2631 1 10 . 1 1 11 11 ALA H H 11 9.105 9.105 8.112 0.993 19915 2632 1 10 . 1 1 12 12 GLU N N 12 117.291 117.291 118.376 -1.085 19915 2633 1 10 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.060 0.414 19915 2634 1 10 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.772 -1.048 19915 2635 1 10 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.715 1.762 19915 2636 1 10 . 1 1 12 12 GLU H H 12 8.023 8.023 8.171 -0.148 19915 2637 1 10 . 1 1 13 13 LYS N N 13 116.096 116.096 116.451 -0.355 19915 2638 1 10 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.213 0.064 19915 2639 1 10 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.442 0.843 19915 2640 1 10 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.401 1.092 19915 2641 1 10 . 1 1 13 13 LYS H H 13 7.437 7.437 7.720 -0.283 19915 2642 1 10 . 1 1 14 14 GLY N N 14 107.751 107.751 107.009 0.742 19915 2643 1 10 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.821 2.418 19915 2644 1 10 . 1 1 14 14 GLY H H 14 8.185 8.185 8.108 0.077 19915 2645 1 10 . 1 1 15 15 TYR N N 15 112.589 112.589 117.539 -4.950 19915 2646 1 10 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.741 -0.805 19915 2647 1 10 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.056 0.964 19915 2648 1 10 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.996 2.078 19915 2649 1 10 . 1 1 15 15 TYR H H 15 6.666 6.666 7.567 -0.901 19915 2650 1 10 . 1 1 16 16 GLY N N 16 105.623 105.623 105.704 -0.081 19915 2651 1 10 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.407 0.552 19915 2652 1 10 . 1 1 16 16 GLY H H 16 8.022 8.022 8.780 -0.758 19915 2653 1 10 . 1 1 17 17 PHE N N 17 115.128 115.128 117.503 -2.375 19915 2654 1 10 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.105 -0.066 19915 2655 1 10 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.583 0.926 19915 2656 1 10 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.903 3.381 19915 2657 1 10 . 1 1 17 17 PHE H H 17 7.810 7.810 8.059 -0.249 19915 2658 1 10 . 1 1 18 18 ILE N N 18 121.714 121.714 122.259 -0.545 19915 2659 1 10 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.021 0.113 19915 2660 1 10 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.577 -0.123 19915 2661 1 10 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.201 3.620 19915 2662 1 10 . 1 1 18 18 ILE H H 18 9.407 9.407 7.962 1.445 19915 2663 1 10 . 1 1 19 19 GLN N N 19 126.901 126.901 123.387 3.514 19915 2664 1 10 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.646 -0.491 19915 2665 1 10 . 1 1 19 19 GLN CA C 19 60.293 60.293 54.060 6.233 19915 2666 1 10 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.626 0.764 19915 2667 1 10 . 1 1 19 19 GLN H H 19 9.353 9.353 8.152 1.202 19915 2668 1 10 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.720 -0.003 19915 2669 1 10 . 1 1 21 21 GLU N N 21 123.394 123.394 122.731 0.663 19915 2670 1 10 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.351 0.278 19915 2671 1 10 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.410 -0.940 19915 2672 1 10 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.827 1.553 19915 2673 1 10 . 1 1 21 21 GLU H H 21 9.202 9.202 9.102 0.100 19915 2674 1 10 . 1 1 22 22 GLU N N 22 117.042 117.042 118.312 -1.270 19915 2675 1 10 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.494 0.050 19915 2676 1 10 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.883 -1.172 19915 2677 1 10 . 1 1 22 22 GLU H H 22 7.989 7.989 8.381 -0.392 19915 2678 1 10 . 1 1 23 23 GLY N N 23 107.576 107.576 109.944 -2.368 19915 2679 1 10 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.718 1.967 19915 2680 1 10 . 1 1 23 23 GLY H H 23 7.672 7.672 7.297 0.375 19915 2681 1 10 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.497 -0.363 19915 2682 1 10 . 1 1 24 24 PRO CA C 24 57.854 57.854 62.681 -4.827 19915 2683 1 10 . 1 1 24 24 PRO CB C 24 34.042 34.042 33.145 0.897 19915 2684 1 10 . 1 1 25 25 ASP N N 25 118.400 118.400 119.603 -1.203 19915 2685 1 10 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.412 0.384 19915 2686 1 10 . 1 1 25 25 ASP CA C 25 56.353 56.353 55.352 1.001 19915 2687 1 10 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.263 1.938 19915 2688 1 10 . 1 1 25 25 ASP H H 25 7.974 7.974 8.555 -0.581 19915 2689 1 10 . 1 1 26 26 VAL N N 26 121.011 121.011 119.814 1.197 19915 2690 1 10 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.256 0.046 19915 2691 1 10 . 1 1 26 26 VAL CA C 26 61.853 61.853 59.605 2.248 19915 2692 1 10 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.775 1.139 19915 2693 1 10 . 1 1 26 26 VAL H H 26 9.319 9.319 7.637 1.682 19915 2694 1 10 . 1 1 27 27 PHE N N 27 130.309 130.309 126.980 3.329 19915 2695 1 10 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.983 -0.567 19915 2696 1 10 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.304 4.025 19915 2697 1 10 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.254 1.039 19915 2698 1 10 . 1 1 27 27 PHE H H 27 8.575 8.575 8.269 0.306 19915 2699 1 10 . 1 1 28 28 VAL N N 28 124.445 124.445 122.239 2.206 19915 2700 1 10 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.786 -0.421 19915 2701 1 10 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.967 -1.374 19915 2702 1 10 . 1 1 28 28 VAL CB C 28 34.902 34.902 36.069 -1.167 19915 2703 1 10 . 1 1 28 28 VAL H H 28 7.785 7.785 8.350 -0.565 19915 2704 1 10 . 1 1 29 29 HIS N N 29 127.048 127.048 123.259 3.789 19915 2705 1 10 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.366 -0.781 19915 2706 1 10 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.052 2.439 19915 2707 1 10 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.694 1.236 19915 2708 1 10 . 1 1 29 29 HIS H H 29 8.538 8.538 8.335 0.203 19915 2709 1 10 . 1 1 30 30 PHE N N 30 123.381 123.381 121.243 2.138 19915 2710 1 10 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.779 -0.860 19915 2711 1 10 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.373 0.498 19915 2712 1 10 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.106 -0.794 19915 2713 1 10 . 1 1 30 30 PHE H H 30 8.331 8.331 9.062 -0.731 19915 2714 1 10 . 1 1 31 31 THR N N 31 117.402 117.402 108.276 9.126 19915 2715 1 10 . 1 1 31 31 THR HA H 31 3.656 3.656 3.869 -0.213 19915 2716 1 10 . 1 1 31 31 THR CA C 31 60.891 60.891 61.472 -0.581 19915 2717 1 10 . 1 1 31 31 THR CB C 31 63.467 63.467 67.742 -4.275 19915 2718 1 10 . 1 1 31 31 THR H H 31 7.606 7.606 7.906 -0.300 19915 2719 1 10 . 1 1 32 32 ALA N N 32 124.423 124.423 122.529 1.894 19915 2720 1 10 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.658 -0.267 19915 2721 1 10 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.437 2.033 19915 2722 1 10 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.972 0.748 19915 2723 1 10 . 1 1 32 32 ALA H H 32 8.045 8.045 7.903 0.142 19915 2724 1 10 . 1 1 33 33 ILE N N 33 119.413 119.413 120.249 -0.836 19915 2725 1 10 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.092 -0.210 19915 2726 1 10 . 1 1 33 33 ILE CA C 33 63.630 63.630 62.003 1.627 19915 2727 1 10 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.913 -0.121 19915 2728 1 10 . 1 1 33 33 ILE H H 33 7.471 7.471 7.354 0.117 19915 2729 1 10 . 1 1 34 34 GLU N N 34 127.220 127.220 127.126 0.094 19915 2730 1 10 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.599 -0.293 19915 2731 1 10 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.206 1.085 19915 2732 1 10 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.628 0.282 19915 2733 1 10 . 1 1 34 34 GLU H H 34 8.973 8.973 8.292 0.681 19915 2734 1 10 . 1 1 35 35 ALA N N 35 119.122 119.122 124.183 -5.061 19915 2735 1 10 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.558 0.064 19915 2736 1 10 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.961 3.189 19915 2737 1 10 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.152 -1.325 19915 2738 1 10 . 1 1 35 35 ALA H H 35 7.557 7.557 7.720 -0.163 19915 2739 1 10 . 1 1 36 36 ASP N N 36 121.814 121.814 121.748 0.066 19915 2740 1 10 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.753 -0.178 19915 2741 1 10 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.229 1.753 19915 2742 1 10 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.502 2.189 19915 2743 1 10 . 1 1 36 36 ASP H H 36 8.582 8.582 8.649 -0.067 19915 2744 1 10 . 1 1 37 37 GLY N N 37 109.101 109.101 110.362 -1.261 19915 2745 1 10 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.727 1.381 19915 2746 1 10 . 1 1 37 37 GLY H H 37 8.297 8.297 7.707 0.590 19915 2747 1 10 . 1 1 38 38 PHE N N 38 121.524 121.524 126.143 -4.619 19915 2748 1 10 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.537 -0.487 19915 2749 1 10 . 1 1 38 38 PHE CA C 38 59.050 59.050 56.886 2.164 19915 2750 1 10 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.438 -0.165 19915 2751 1 10 . 1 1 38 38 PHE H H 38 7.972 7.972 8.459 -0.487 19915 2752 1 10 . 1 1 40 40 THR HA H 40 3.776 3.776 3.771 0.005 19915 2753 1 10 . 1 1 40 40 THR CA C 40 57.432 57.432 60.970 -3.538 19915 2754 1 10 . 1 1 40 40 THR CB C 40 64.914 64.914 70.264 -5.350 19915 2755 1 10 . 1 1 40 40 THR H H 40 7.370 7.370 7.801 -0.431 19915 2756 1 10 . 1 1 41 41 LEU N N 41 119.141 119.141 119.532 -0.391 19915 2757 1 10 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.519 -0.086 19915 2758 1 10 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.061 0.560 19915 2759 1 10 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.269 3.405 19915 2760 1 10 . 1 1 41 41 LEU H H 41 5.887 5.887 7.178 -1.291 19915 2761 1 10 . 1 1 42 42 ASN N N 42 119.111 119.111 118.232 0.879 19915 2762 1 10 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.855 0.093 19915 2763 1 10 . 1 1 42 42 ASN CA C 42 53.539 53.539 51.949 1.590 19915 2764 1 10 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.610 3.208 19915 2765 1 10 . 1 1 42 42 ASN H H 42 8.211 8.211 8.324 -0.113 19915 2766 1 10 . 1 1 43 43 GLU N N 43 121.200 121.200 124.852 -3.652 19915 2767 1 10 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.928 -0.369 19915 2768 1 10 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.218 0.930 19915 2769 1 10 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.547 0.575 19915 2770 1 10 . 1 1 43 43 GLU H H 43 8.662 8.662 8.995 -0.333 19915 2771 1 10 . 1 1 44 44 GLY N N 44 114.013 114.013 114.990 -0.977 19915 2772 1 10 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.833 1.208 19915 2773 1 10 . 1 1 44 44 GLY H H 44 9.091 9.091 8.460 0.631 19915 2774 1 10 . 1 1 45 45 GLU N N 45 121.040 121.040 121.132 -0.092 19915 2775 1 10 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.732 -0.560 19915 2776 1 10 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.134 3.219 19915 2777 1 10 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.178 -1.156 19915 2778 1 10 . 1 1 45 45 GLU H H 45 7.760 7.760 7.942 -0.182 19915 2779 1 10 . 1 1 46 46 HIS N N 46 126.336 126.336 119.952 6.384 19915 2780 1 10 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.861 0.152 19915 2781 1 10 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.013 1.519 19915 2782 1 10 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.563 3.128 19915 2783 1 10 . 1 1 46 46 HIS H H 46 8.785 8.785 8.125 0.660 19915 2784 1 10 . 1 1 47 47 VAL N N 47 115.822 115.822 114.165 1.657 19915 2785 1 10 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.933 0.422 19915 2786 1 10 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.657 -0.955 19915 2787 1 10 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.524 2.106 19915 2788 1 10 . 1 1 47 47 VAL H H 47 8.605 8.605 8.978 -0.373 19915 2789 1 10 . 1 1 48 48 GLU N N 48 114.820 114.820 125.314 -10.494 19915 2790 1 10 . 1 1 48 48 GLU HA H 48 4.641 4.641 5.007 -0.366 19915 2791 1 10 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.775 1.919 19915 2792 1 10 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.090 -5.188 19915 2793 1 10 . 1 1 48 48 GLU H H 48 9.124 9.124 8.385 0.739 19915 2794 1 10 . 1 1 49 49 PHE N N 49 117.334 117.334 123.332 -5.998 19915 2795 1 10 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.528 -0.301 19915 2796 1 10 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.596 2.744 19915 2797 1 10 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.361 -1.230 19915 2798 1 10 . 1 1 49 49 PHE H H 49 8.663 8.663 8.719 -0.056 19915 2799 1 10 . 1 1 50 50 GLU N N 50 110.733 110.733 122.638 -11.905 19915 2800 1 10 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.731 0.331 19915 2801 1 10 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.768 6.212 19915 2802 1 10 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.678 0.522 19915 2803 1 10 . 1 1 50 50 GLU H H 50 8.979 8.979 8.532 0.447 19915 2804 1 10 . 1 1 51 51 VAL N N 51 121.323 121.323 120.155 1.168 19915 2805 1 10 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.574 0.124 19915 2806 1 10 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.663 -0.570 19915 2807 1 10 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.929 7.713 19915 2808 1 10 . 1 1 51 51 VAL H H 51 8.694 8.694 8.389 0.305 19915 2809 1 10 . 1 1 52 52 GLU N N 52 127.810 127.810 128.727 -0.917 19915 2810 1 10 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.783 -0.105 19915 2811 1 10 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.999 1.883 19915 2812 1 10 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.861 0.500 19915 2813 1 10 . 1 1 52 52 GLU H H 52 9.189 9.189 8.373 0.816 19915 2814 1 10 . 1 1 54 54 GLY H H 54 9.310 9.310 8.642 0.668 19915 2815 1 10 . 1 1 55 55 ARG N N 55 118.520 118.520 120.110 -1.590 19915 2816 1 10 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.418 0.102 19915 2817 1 10 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.956 3.025 19915 2818 1 10 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.362 0.882 19915 2819 1 10 . 1 1 55 55 ARG H H 55 8.772 8.772 8.011 0.761 19915 2820 1 10 . 1 1 56 56 GLY N N 56 112.512 112.512 107.291 5.221 19915 2821 1 10 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.238 1.053 19915 2822 1 10 . 1 1 56 56 GLY H H 56 7.742 7.742 7.656 0.086 19915 2823 1 10 . 1 1 57 57 GLY N N 57 123.924 123.924 109.791 14.133 19915 2824 1 10 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.311 -1.788 19915 2825 1 10 . 1 1 57 57 GLY H H 57 8.634 8.634 8.251 0.383 19915 2826 1 10 . 1 1 58 58 LYS N N 58 115.021 115.021 119.492 -4.471 19915 2827 1 10 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.603 -0.265 19915 2828 1 10 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.480 -0.407 19915 2829 1 10 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.380 -0.448 19915 2830 1 10 . 1 1 58 58 LYS H H 58 8.417 8.417 8.156 0.261 19915 2831 1 10 . 1 1 59 59 GLY N N 59 108.720 108.720 106.259 2.461 19915 2832 1 10 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.245 -0.153 19915 2833 1 10 . 1 1 59 59 GLY H H 59 7.423 7.423 7.719 -0.296 19915 2834 1 10 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.856 0.015 19915 2835 1 10 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.674 0.514 19915 2836 1 10 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.281 1.609 19915 2837 1 10 . 1 1 61 61 GLN N N 61 125.701 125.701 125.270 0.431 19915 2838 1 10 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.056 0.124 19915 2839 1 10 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.453 -1.581 19915 2840 1 10 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.706 -9.453 19915 2841 1 10 . 1 1 61 61 GLN H H 61 8.794 8.794 8.087 0.707 19915 2842 1 10 . 1 1 62 62 ALA N N 62 122.421 122.421 127.591 -5.170 19915 2843 1 10 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.444 0.605 19915 2844 1 10 . 1 1 62 62 ALA CA C 62 51.941 51.941 52.011 -0.070 19915 2845 1 10 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.275 3.645 19915 2846 1 10 . 1 1 62 62 ALA H H 62 8.898 8.898 8.881 0.017 19915 2847 1 10 . 1 1 63 63 LYS N N 63 109.000 109.000 118.588 -9.588 19915 2848 1 10 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.978 0.634 19915 2849 1 10 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.502 -4.280 19915 2850 1 10 . 1 1 63 63 LYS H H 63 9.279 9.279 8.118 1.161 19915 2851 1 10 . 1 1 64 64 LYS N N 64 116.512 116.512 118.207 -1.695 19915 2852 1 10 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.489 -0.360 19915 2853 1 10 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.384 -0.113 19915 2854 1 10 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.753 5.047 19915 2855 1 10 . 1 1 64 64 LYS H H 64 9.248 9.248 7.411 1.837 19915 2856 1 10 . 1 1 65 65 VAL N N 65 118.120 118.120 125.398 -7.278 19915 2857 1 10 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.271 -0.623 19915 2858 1 10 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.003 4.228 19915 2859 1 10 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.175 -2.903 19915 2860 1 10 . 1 1 65 65 VAL H H 65 8.162 8.162 8.246 -0.084 19915 2861 1 10 . 1 1 66 66 ARG N N 66 120.932 120.932 124.634 -3.702 19915 2862 1 10 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.836 -0.073 19915 2863 1 10 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.371 7.021 19915 2864 1 10 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.871 -2.359 19915 2865 1 10 . 1 1 66 66 ARG H H 66 9.023 9.023 9.047 -0.024 19915 2866 1 10 . 1 1 67 67 ARG N N 67 119.710 119.710 123.602 -3.892 19915 2867 1 10 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.237 0.390 19915 2868 1 10 . 1 1 67 67 ARG CA C 67 60.391 60.391 57.313 3.078 19915 2869 1 10 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.886 3.647 19915 2870 1 10 . 1 1 67 67 ARG H H 67 8.798 8.798 8.703 0.095 19915 2871 1 11 . 1 1 2 2 LYS N N 2 123.000 123.000 121.108 1.892 19915 2872 1 11 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.702 -0.120 19915 2873 1 11 . 1 1 2 2 LYS CA C 2 54.395 54.395 54.374 0.021 19915 2874 1 11 . 1 1 2 2 LYS CB C 2 34.710 34.710 36.941 -2.231 19915 2875 1 11 . 1 1 2 2 LYS H H 2 8.628 8.628 8.323 0.305 19915 2876 1 11 . 1 1 3 3 LYS N N 3 107.200 107.200 119.056 -11.856 19915 2877 1 11 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.460 0.983 19915 2878 1 11 . 1 1 3 3 LYS CA C 3 60.714 60.714 54.911 5.803 19915 2879 1 11 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.340 -2.941 19915 2880 1 11 . 1 1 3 3 LYS H H 3 7.657 7.657 8.181 -0.524 19915 2881 1 11 . 1 1 4 4 GLY N N 4 108.916 108.916 110.005 -1.089 19915 2882 1 11 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.699 1.386 19915 2883 1 11 . 1 1 4 4 GLY H H 4 8.951 8.951 8.696 0.255 19915 2884 1 11 . 1 1 5 5 THR N N 5 119.459 119.459 113.658 5.801 19915 2885 1 11 . 1 1 5 5 THR HA H 5 5.063 5.063 4.902 0.161 19915 2886 1 11 . 1 1 5 5 THR CA C 5 59.310 59.310 61.282 -1.972 19915 2887 1 11 . 1 1 5 5 THR CB C 5 72.727 72.727 70.027 2.700 19915 2888 1 11 . 1 1 5 5 THR H H 5 8.199 8.199 8.208 -0.009 19915 2889 1 11 . 1 1 6 6 VAL N N 6 126.647 126.647 121.289 5.358 19915 2890 1 11 . 1 1 6 6 VAL HA H 6 3.530 3.530 4.473 -0.943 19915 2891 1 11 . 1 1 6 6 VAL CA C 6 65.690 65.690 60.319 5.371 19915 2892 1 11 . 1 1 6 6 VAL CB C 6 32.288 32.288 34.689 -2.401 19915 2893 1 11 . 1 1 6 6 VAL H H 6 8.818 8.818 8.464 0.354 19915 2894 1 11 . 1 1 7 7 LYS N N 7 104.469 104.469 129.647 -25.178 19915 2895 1 11 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.466 -0.315 19915 2896 1 11 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.507 2.250 19915 2897 1 11 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.897 0.080 19915 2898 1 11 . 1 1 7 7 LYS H H 7 9.139 9.139 9.095 0.044 19915 2899 1 11 . 1 1 8 8 TRP N N 8 110.745 110.745 116.785 -6.040 19915 2900 1 11 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.727 -0.147 19915 2901 1 11 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.997 0.232 19915 2902 1 11 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.164 1.419 19915 2903 1 11 . 1 1 8 8 TRP H H 8 7.427 7.427 7.211 0.216 19915 2904 1 11 . 1 1 9 9 PHE N N 9 120.922 120.922 125.008 -4.086 19915 2905 1 11 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.730 -0.581 19915 2906 1 11 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.027 3.354 19915 2907 1 11 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.536 1.397 19915 2908 1 11 . 1 1 9 9 PHE H H 9 9.247 9.247 8.620 0.627 19915 2909 1 11 . 1 1 10 10 ASN N N 10 127.119 127.119 125.373 1.746 19915 2910 1 11 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.423 0.526 19915 2911 1 11 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.946 -0.426 19915 2912 1 11 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.546 1.444 19915 2913 1 11 . 1 1 10 10 ASN H H 10 8.171 8.171 8.034 0.137 19915 2914 1 11 . 1 1 11 11 ALA N N 11 128.949 128.949 128.809 0.140 19915 2915 1 11 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.223 0.013 19915 2916 1 11 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.562 1.914 19915 2917 1 11 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.678 0.762 19915 2918 1 11 . 1 1 11 11 ALA H H 11 9.105 9.105 8.615 0.490 19915 2919 1 11 . 1 1 12 12 GLU N N 12 117.291 117.291 118.834 -1.543 19915 2920 1 11 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.066 0.408 19915 2921 1 11 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.464 -0.740 19915 2922 1 11 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.145 2.332 19915 2923 1 11 . 1 1 12 12 GLU H H 12 8.023 8.023 8.552 -0.529 19915 2924 1 11 . 1 1 13 13 LYS N N 13 116.096 116.096 115.576 0.520 19915 2925 1 11 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.378 -0.101 19915 2926 1 11 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.216 1.069 19915 2927 1 11 . 1 1 13 13 LYS CB C 13 34.493 34.493 34.027 0.466 19915 2928 1 11 . 1 1 13 13 LYS H H 13 7.437 7.437 8.038 -0.601 19915 2929 1 11 . 1 1 14 14 GLY N N 14 107.751 107.751 107.239 0.512 19915 2930 1 11 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.835 2.404 19915 2931 1 11 . 1 1 14 14 GLY H H 14 8.185 8.185 7.652 0.533 19915 2932 1 11 . 1 1 15 15 TYR N N 15 112.589 112.589 115.826 -3.237 19915 2933 1 11 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.325 -0.389 19915 2934 1 11 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.615 0.405 19915 2935 1 11 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.084 2.990 19915 2936 1 11 . 1 1 15 15 TYR H H 15 6.666 6.666 7.697 -1.031 19915 2937 1 11 . 1 1 16 16 GLY N N 16 105.623 105.623 108.300 -2.677 19915 2938 1 11 . 1 1 16 16 GLY CA C 16 45.959 45.959 44.198 1.761 19915 2939 1 11 . 1 1 16 16 GLY H H 16 8.022 8.022 8.982 -0.960 19915 2940 1 11 . 1 1 17 17 PHE N N 17 115.128 115.128 117.097 -1.969 19915 2941 1 11 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.063 -0.024 19915 2942 1 11 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.602 0.907 19915 2943 1 11 . 1 1 17 17 PHE CB C 17 46.284 46.284 43.220 3.064 19915 2944 1 11 . 1 1 17 17 PHE H H 17 7.810 7.810 7.752 0.058 19915 2945 1 11 . 1 1 18 18 ILE N N 18 121.714 121.714 122.238 -0.524 19915 2946 1 11 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.072 0.062 19915 2947 1 11 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.386 0.067 19915 2948 1 11 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.709 3.112 19915 2949 1 11 . 1 1 18 18 ILE H H 18 9.407 9.407 7.738 1.669 19915 2950 1 11 . 1 1 19 19 GLN N N 19 126.901 126.901 122.747 4.154 19915 2951 1 11 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.741 -0.586 19915 2952 1 11 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.805 6.488 19915 2953 1 11 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.211 1.179 19915 2954 1 11 . 1 1 19 19 GLN H H 19 9.353 9.353 8.878 0.475 19915 2955 1 11 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.437 0.280 19915 2956 1 11 . 1 1 21 21 GLU N N 21 123.394 123.394 118.945 4.449 19915 2957 1 11 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.003 0.626 19915 2958 1 11 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.983 -1.513 19915 2959 1 11 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.460 1.920 19915 2960 1 11 . 1 1 21 21 GLU H H 21 9.202 9.202 8.786 0.416 19915 2961 1 11 . 1 1 22 22 GLU N N 22 117.042 117.042 117.725 -0.683 19915 2962 1 11 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.370 0.174 19915 2963 1 11 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.147 -1.436 19915 2964 1 11 . 1 1 22 22 GLU H H 22 7.989 7.989 8.261 -0.272 19915 2965 1 11 . 1 1 23 23 GLY N N 23 107.576 107.576 109.444 -1.868 19915 2966 1 11 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.039 1.646 19915 2967 1 11 . 1 1 23 23 GLY H H 23 7.672 7.672 8.219 -0.547 19915 2968 1 11 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.439 -0.305 19915 2969 1 11 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.996 -6.143 19915 2970 1 11 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.852 1.190 19915 2971 1 11 . 1 1 25 25 ASP N N 25 118.400 118.400 117.290 1.110 19915 2972 1 11 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.756 0.040 19915 2973 1 11 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.827 2.526 19915 2974 1 11 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.809 1.392 19915 2975 1 11 . 1 1 25 25 ASP H H 25 7.974 7.974 8.097 -0.123 19915 2976 1 11 . 1 1 26 26 VAL N N 26 121.011 121.011 120.891 0.120 19915 2977 1 11 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.437 -0.135 19915 2978 1 11 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.267 1.586 19915 2979 1 11 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.215 0.699 19915 2980 1 11 . 1 1 26 26 VAL H H 26 9.319 9.319 8.094 1.225 19915 2981 1 11 . 1 1 27 27 PHE N N 27 130.309 130.309 127.694 2.615 19915 2982 1 11 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.815 -0.399 19915 2983 1 11 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.264 4.064 19915 2984 1 11 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.380 0.913 19915 2985 1 11 . 1 1 27 27 PHE H H 27 8.575 8.575 8.133 0.442 19915 2986 1 11 . 1 1 28 28 VAL N N 28 124.445 124.445 122.523 1.922 19915 2987 1 11 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.847 -0.482 19915 2988 1 11 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.906 -1.313 19915 2989 1 11 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.579 -0.677 19915 2990 1 11 . 1 1 28 28 VAL H H 28 7.785 7.785 8.592 -0.807 19915 2991 1 11 . 1 1 29 29 HIS N N 29 127.048 127.048 123.283 3.765 19915 2992 1 11 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.359 -0.774 19915 2993 1 11 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.733 1.758 19915 2994 1 11 . 1 1 29 29 HIS CB C 29 34.931 34.931 34.212 0.718 19915 2995 1 11 . 1 1 29 29 HIS H H 29 8.538 8.538 8.580 -0.042 19915 2996 1 11 . 1 1 30 30 PHE N N 30 123.381 123.381 119.961 3.420 19915 2997 1 11 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.719 -0.800 19915 2998 1 11 . 1 1 30 30 PHE CA C 30 60.871 60.871 59.985 0.886 19915 2999 1 11 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.862 -0.550 19915 3000 1 11 . 1 1 30 30 PHE H H 30 8.331 8.331 8.886 -0.555 19915 3001 1 11 . 1 1 31 31 THR N N 31 117.402 117.402 111.868 5.534 19915 3002 1 11 . 1 1 31 31 THR HA H 31 3.656 3.656 3.908 -0.252 19915 3003 1 11 . 1 1 31 31 THR CA C 31 60.891 60.891 61.066 -0.175 19915 3004 1 11 . 1 1 31 31 THR CB C 31 63.467 63.467 67.676 -4.209 19915 3005 1 11 . 1 1 31 31 THR H H 31 7.606 7.606 7.784 -0.178 19915 3006 1 11 . 1 1 32 32 ALA N N 32 124.423 124.423 121.415 3.008 19915 3007 1 11 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.706 -0.315 19915 3008 1 11 . 1 1 32 32 ALA CA C 32 53.470 53.470 50.937 2.533 19915 3009 1 11 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.644 1.076 19915 3010 1 11 . 1 1 32 32 ALA H H 32 8.045 8.045 7.924 0.121 19915 3011 1 11 . 1 1 33 33 ILE N N 33 119.413 119.413 119.723 -0.310 19915 3012 1 11 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.109 -0.227 19915 3013 1 11 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.754 1.876 19915 3014 1 11 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.696 0.096 19915 3015 1 11 . 1 1 33 33 ILE H H 33 7.471 7.471 7.358 0.113 19915 3016 1 11 . 1 1 34 34 GLU N N 34 127.220 127.220 127.830 -0.610 19915 3017 1 11 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.597 -0.291 19915 3018 1 11 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.207 1.084 19915 3019 1 11 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.120 0.790 19915 3020 1 11 . 1 1 34 34 GLU H H 34 8.973 8.973 8.444 0.529 19915 3021 1 11 . 1 1 35 35 ALA N N 35 119.122 119.122 124.395 -5.273 19915 3022 1 11 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.558 0.064 19915 3023 1 11 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.099 3.051 19915 3024 1 11 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.015 -1.188 19915 3025 1 11 . 1 1 35 35 ALA H H 35 7.557 7.557 7.831 -0.274 19915 3026 1 11 . 1 1 36 36 ASP N N 36 121.814 121.814 121.806 0.008 19915 3027 1 11 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.750 -0.175 19915 3028 1 11 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.284 1.698 19915 3029 1 11 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.543 2.148 19915 3030 1 11 . 1 1 36 36 ASP H H 36 8.582 8.582 8.646 -0.064 19915 3031 1 11 . 1 1 37 37 GLY N N 37 109.101 109.101 109.704 -0.603 19915 3032 1 11 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.698 1.410 19915 3033 1 11 . 1 1 37 37 GLY H H 37 8.297 8.297 7.692 0.605 19915 3034 1 11 . 1 1 38 38 PHE N N 38 121.524 121.524 124.345 -2.821 19915 3035 1 11 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.611 -0.561 19915 3036 1 11 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.546 1.504 19915 3037 1 11 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.648 -0.375 19915 3038 1 11 . 1 1 38 38 PHE H H 38 7.972 7.972 8.403 -0.431 19915 3039 1 11 . 1 1 40 40 THR HA H 40 3.776 3.776 3.724 0.052 19915 3040 1 11 . 1 1 40 40 THR CA C 40 57.432 57.432 61.246 -3.814 19915 3041 1 11 . 1 1 40 40 THR CB C 40 64.914 64.914 70.066 -5.152 19915 3042 1 11 . 1 1 40 40 THR H H 40 7.370 7.370 7.739 -0.369 19915 3043 1 11 . 1 1 41 41 LEU N N 41 119.141 119.141 120.723 -1.582 19915 3044 1 11 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.497 -0.064 19915 3045 1 11 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.075 0.546 19915 3046 1 11 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.669 3.005 19915 3047 1 11 . 1 1 41 41 LEU H H 41 5.887 5.887 6.887 -1.000 19915 3048 1 11 . 1 1 42 42 ASN N N 42 119.111 119.111 118.571 0.540 19915 3049 1 11 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.887 0.061 19915 3050 1 11 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.174 1.365 19915 3051 1 11 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.802 3.016 19915 3052 1 11 . 1 1 42 42 ASN H H 42 8.211 8.211 8.324 -0.113 19915 3053 1 11 . 1 1 43 43 GLU N N 43 121.200 121.200 124.886 -3.686 19915 3054 1 11 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.927 -0.368 19915 3055 1 11 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.206 0.941 19915 3056 1 11 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.592 0.530 19915 3057 1 11 . 1 1 43 43 GLU H H 43 8.662 8.662 9.003 -0.341 19915 3058 1 11 . 1 1 44 44 GLY N N 44 114.013 114.013 115.014 -1.001 19915 3059 1 11 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.939 1.102 19915 3060 1 11 . 1 1 44 44 GLY H H 44 9.091 9.091 8.725 0.366 19915 3061 1 11 . 1 1 45 45 GLU N N 45 121.040 121.040 121.010 0.030 19915 3062 1 11 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.751 -0.579 19915 3063 1 11 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.115 3.237 19915 3064 1 11 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.221 -1.198 19915 3065 1 11 . 1 1 45 45 GLU H H 45 7.760 7.760 7.925 -0.165 19915 3066 1 11 . 1 1 46 46 HIS N N 46 126.336 126.336 120.070 6.266 19915 3067 1 11 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.694 0.319 19915 3068 1 11 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.155 1.377 19915 3069 1 11 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.618 3.073 19915 3070 1 11 . 1 1 46 46 HIS H H 46 8.785 8.785 8.169 0.616 19915 3071 1 11 . 1 1 47 47 VAL N N 47 115.822 115.822 114.389 1.433 19915 3072 1 11 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.940 0.415 19915 3073 1 11 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.514 -0.812 19915 3074 1 11 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.545 2.085 19915 3075 1 11 . 1 1 47 47 VAL H H 47 8.605 8.605 8.811 -0.206 19915 3076 1 11 . 1 1 48 48 GLU N N 48 114.820 114.820 125.123 -10.303 19915 3077 1 11 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.820 -0.179 19915 3078 1 11 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.926 1.768 19915 3079 1 11 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.047 -5.146 19915 3080 1 11 . 1 1 48 48 GLU H H 48 9.124 9.124 8.397 0.727 19915 3081 1 11 . 1 1 49 49 PHE N N 49 117.334 117.334 123.130 -5.796 19915 3082 1 11 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.583 -0.356 19915 3083 1 11 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.600 2.740 19915 3084 1 11 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.468 -1.338 19915 3085 1 11 . 1 1 49 49 PHE H H 49 8.663 8.663 8.674 -0.011 19915 3086 1 11 . 1 1 50 50 GLU N N 50 110.733 110.733 122.614 -11.881 19915 3087 1 11 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.756 0.306 19915 3088 1 11 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.305 6.675 19915 3089 1 11 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.125 0.075 19915 3090 1 11 . 1 1 50 50 GLU H H 50 8.979 8.979 8.521 0.458 19915 3091 1 11 . 1 1 51 51 VAL N N 51 121.323 121.323 121.687 -0.364 19915 3092 1 11 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.533 0.165 19915 3093 1 11 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.789 -0.696 19915 3094 1 11 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.196 7.447 19915 3095 1 11 . 1 1 51 51 VAL H H 51 8.694 8.694 8.302 0.392 19915 3096 1 11 . 1 1 52 52 GLU N N 52 127.810 127.810 127.727 0.083 19915 3097 1 11 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.786 -0.108 19915 3098 1 11 . 1 1 52 52 GLU CA C 52 54.882 54.882 53.245 1.637 19915 3099 1 11 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.877 -0.516 19915 3100 1 11 . 1 1 52 52 GLU H H 52 9.189 9.189 8.192 0.997 19915 3101 1 11 . 1 1 54 54 GLY H H 54 9.310 9.310 8.717 0.593 19915 3102 1 11 . 1 1 55 55 ARG N N 55 118.520 118.520 120.335 -1.815 19915 3103 1 11 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.527 -0.007 19915 3104 1 11 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.783 3.198 19915 3105 1 11 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.008 1.236 19915 3106 1 11 . 1 1 55 55 ARG H H 55 8.772 8.772 8.165 0.607 19915 3107 1 11 . 1 1 56 56 GLY N N 56 112.512 112.512 107.004 5.508 19915 3108 1 11 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.008 1.282 19915 3109 1 11 . 1 1 56 56 GLY H H 56 7.742 7.742 7.636 0.105 19915 3110 1 11 . 1 1 57 57 GLY N N 57 123.924 123.924 109.484 14.440 19915 3111 1 11 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.192 -1.669 19915 3112 1 11 . 1 1 57 57 GLY H H 57 8.634 8.634 8.353 0.281 19915 3113 1 11 . 1 1 58 58 LYS N N 58 115.021 115.021 120.153 -5.132 19915 3114 1 11 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.568 -0.230 19915 3115 1 11 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.355 -0.282 19915 3116 1 11 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.198 -0.266 19915 3117 1 11 . 1 1 58 58 LYS H H 58 8.417 8.417 8.113 0.304 19915 3118 1 11 . 1 1 59 59 GLY N N 59 108.720 108.720 106.413 2.307 19915 3119 1 11 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.261 -0.169 19915 3120 1 11 . 1 1 59 59 GLY H H 59 7.423 7.423 7.837 -0.414 19915 3121 1 11 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.917 -0.046 19915 3122 1 11 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.614 0.574 19915 3123 1 11 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.086 1.804 19915 3124 1 11 . 1 1 61 61 GLN N N 61 125.701 125.701 125.372 0.329 19915 3125 1 11 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.035 0.145 19915 3126 1 11 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.253 -1.381 19915 3127 1 11 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.698 -9.445 19915 3128 1 11 . 1 1 61 61 GLN H H 61 8.794 8.794 8.115 0.679 19915 3129 1 11 . 1 1 62 62 ALA N N 62 122.421 122.421 126.924 -4.503 19915 3130 1 11 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.500 0.549 19915 3131 1 11 . 1 1 62 62 ALA CA C 62 51.941 51.941 52.022 -0.081 19915 3132 1 11 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.151 3.769 19915 3133 1 11 . 1 1 62 62 ALA H H 62 8.898 8.898 8.633 0.265 19915 3134 1 11 . 1 1 63 63 LYS N N 63 109.000 109.000 119.389 -10.389 19915 3135 1 11 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.978 0.634 19915 3136 1 11 . 1 1 63 63 LYS CA C 63 54.221 54.221 59.221 -5.000 19915 3137 1 11 . 1 1 63 63 LYS H H 63 9.279 9.279 8.214 1.065 19915 3138 1 11 . 1 1 64 64 LYS N N 64 116.512 116.512 118.456 -1.944 19915 3139 1 11 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.577 -0.448 19915 3140 1 11 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.417 -0.146 19915 3141 1 11 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.956 4.844 19915 3142 1 11 . 1 1 64 64 LYS H H 64 9.248 9.248 7.412 1.836 19915 3143 1 11 . 1 1 65 65 VAL N N 65 118.120 118.120 125.323 -7.203 19915 3144 1 11 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.244 -0.596 19915 3145 1 11 . 1 1 65 65 VAL CA C 65 64.231 64.231 59.947 4.284 19915 3146 1 11 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.237 -2.965 19915 3147 1 11 . 1 1 65 65 VAL H H 65 8.162 8.162 8.260 -0.098 19915 3148 1 11 . 1 1 66 66 ARG N N 66 120.932 120.932 124.742 -3.810 19915 3149 1 11 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.847 -0.084 19915 3150 1 11 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.803 6.590 19915 3151 1 11 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.630 -2.118 19915 3152 1 11 . 1 1 66 66 ARG H H 66 9.023 9.023 8.960 0.063 19915 3153 1 11 . 1 1 67 67 ARG N N 67 119.710 119.710 124.644 -4.934 19915 3154 1 11 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.214 0.413 19915 3155 1 11 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.885 3.506 19915 3156 1 11 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.719 3.814 19915 3157 1 11 . 1 1 67 67 ARG H H 67 8.798 8.798 8.555 0.243 19915 3158 1 12 . 1 1 2 2 LYS N N 2 123.000 123.000 121.485 1.515 19915 3159 1 12 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.517 0.065 19915 3160 1 12 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.690 0.705 19915 3161 1 12 . 1 1 2 2 LYS CB C 2 34.710 34.710 34.805 -0.095 19915 3162 1 12 . 1 1 2 2 LYS H H 2 8.628 8.628 8.173 0.455 19915 3163 1 12 . 1 1 3 3 LYS N N 3 107.200 107.200 119.787 -12.587 19915 3164 1 12 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.589 0.854 19915 3165 1 12 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.085 5.629 19915 3166 1 12 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.101 -3.701 19915 3167 1 12 . 1 1 3 3 LYS H H 3 7.657 7.657 8.386 -0.729 19915 3168 1 12 . 1 1 4 4 GLY N N 4 108.916 108.916 110.039 -1.123 19915 3169 1 12 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.729 1.356 19915 3170 1 12 . 1 1 4 4 GLY H H 4 8.951 8.951 8.766 0.185 19915 3171 1 12 . 1 1 5 5 THR N N 5 119.459 119.459 114.049 5.410 19915 3172 1 12 . 1 1 5 5 THR HA H 5 5.063 5.063 4.932 0.131 19915 3173 1 12 . 1 1 5 5 THR CA C 5 59.310 59.310 61.336 -2.026 19915 3174 1 12 . 1 1 5 5 THR CB C 5 72.727 72.727 69.949 2.778 19915 3175 1 12 . 1 1 5 5 THR H H 5 8.199 8.199 8.147 0.052 19915 3176 1 12 . 1 1 6 6 VAL N N 6 126.647 126.647 123.451 3.196 19915 3177 1 12 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.889 -0.359 19915 3178 1 12 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.828 3.862 19915 3179 1 12 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.278 -0.990 19915 3180 1 12 . 1 1 6 6 VAL H H 6 8.818 8.818 8.417 0.401 19915 3181 1 12 . 1 1 7 7 LYS N N 7 104.469 104.469 129.587 -25.118 19915 3182 1 12 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.465 -0.314 19915 3183 1 12 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.946 2.811 19915 3184 1 12 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.794 0.184 19915 3185 1 12 . 1 1 7 7 LYS H H 7 9.139 9.139 8.136 1.003 19915 3186 1 12 . 1 1 8 8 TRP N N 8 110.745 110.745 116.503 -5.758 19915 3187 1 12 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.770 -0.190 19915 3188 1 12 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.761 0.468 19915 3189 1 12 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.664 1.919 19915 3190 1 12 . 1 1 8 8 TRP H H 8 7.427 7.427 7.250 0.177 19915 3191 1 12 . 1 1 9 9 PHE N N 9 120.922 120.922 125.474 -4.552 19915 3192 1 12 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.749 -0.600 19915 3193 1 12 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.549 3.832 19915 3194 1 12 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.928 2.005 19915 3195 1 12 . 1 1 9 9 PHE H H 9 9.247 9.247 8.691 0.556 19915 3196 1 12 . 1 1 10 10 ASN N N 10 127.119 127.119 126.539 0.580 19915 3197 1 12 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.405 0.544 19915 3198 1 12 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.469 0.051 19915 3199 1 12 . 1 1 10 10 ASN CB C 10 39.990 39.990 37.860 2.130 19915 3200 1 12 . 1 1 10 10 ASN H H 10 8.171 8.171 8.076 0.095 19915 3201 1 12 . 1 1 11 11 ALA N N 11 128.949 128.949 127.750 1.199 19915 3202 1 12 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.473 0.763 19915 3203 1 12 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.190 1.286 19915 3204 1 12 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.453 0.987 19915 3205 1 12 . 1 1 11 11 ALA H H 11 9.105 9.105 7.770 1.335 19915 3206 1 12 . 1 1 12 12 GLU N N 12 117.291 117.291 118.153 -0.862 19915 3207 1 12 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.034 0.440 19915 3208 1 12 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.421 -0.697 19915 3209 1 12 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.335 2.142 19915 3210 1 12 . 1 1 12 12 GLU H H 12 8.023 8.023 8.043 -0.020 19915 3211 1 12 . 1 1 13 13 LYS N N 13 116.096 116.096 116.489 -0.393 19915 3212 1 12 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.282 -0.005 19915 3213 1 12 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.511 0.774 19915 3214 1 12 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.712 0.781 19915 3215 1 12 . 1 1 13 13 LYS H H 13 7.437 7.437 7.907 -0.470 19915 3216 1 12 . 1 1 14 14 GLY N N 14 107.751 107.751 107.433 0.318 19915 3217 1 12 . 1 1 14 14 GLY CA C 14 47.239 47.239 45.005 2.234 19915 3218 1 12 . 1 1 14 14 GLY H H 14 8.185 8.185 8.188 -0.003 19915 3219 1 12 . 1 1 15 15 TYR N N 15 112.589 112.589 117.311 -4.722 19915 3220 1 12 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.456 -0.520 19915 3221 1 12 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.123 0.897 19915 3222 1 12 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.726 2.348 19915 3223 1 12 . 1 1 15 15 TYR H H 15 6.666 6.666 7.556 -0.890 19915 3224 1 12 . 1 1 16 16 GLY N N 16 105.623 105.623 105.890 -0.267 19915 3225 1 12 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.443 0.516 19915 3226 1 12 . 1 1 16 16 GLY H H 16 8.022 8.022 8.612 -0.590 19915 3227 1 12 . 1 1 17 17 PHE N N 17 115.128 115.128 117.024 -1.896 19915 3228 1 12 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.063 -0.024 19915 3229 1 12 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.455 1.054 19915 3230 1 12 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.942 3.342 19915 3231 1 12 . 1 1 17 17 PHE H H 17 7.810 7.810 7.900 -0.090 19915 3232 1 12 . 1 1 18 18 ILE N N 18 121.714 121.714 121.929 -0.215 19915 3233 1 12 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.005 0.129 19915 3234 1 12 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.828 -0.374 19915 3235 1 12 . 1 1 18 18 ILE CB C 18 42.821 42.821 38.888 3.933 19915 3236 1 12 . 1 1 18 18 ILE H H 18 9.407 9.407 7.907 1.500 19915 3237 1 12 . 1 1 19 19 GLN N N 19 126.901 126.901 125.026 1.875 19915 3238 1 12 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.723 -0.568 19915 3239 1 12 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.605 6.688 19915 3240 1 12 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.412 0.978 19915 3241 1 12 . 1 1 19 19 GLN H H 19 9.353 9.353 8.233 1.120 19915 3242 1 12 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.467 0.250 19915 3243 1 12 . 1 1 21 21 GLU N N 21 123.394 123.394 118.762 4.632 19915 3244 1 12 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.101 0.528 19915 3245 1 12 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.743 -1.273 19915 3246 1 12 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.717 1.663 19915 3247 1 12 . 1 1 21 21 GLU H H 21 9.202 9.202 8.810 0.392 19915 3248 1 12 . 1 1 22 22 GLU N N 22 117.042 117.042 116.965 0.077 19915 3249 1 12 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.416 0.128 19915 3250 1 12 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.053 -1.342 19915 3251 1 12 . 1 1 22 22 GLU H H 22 7.989 7.989 8.121 -0.132 19915 3252 1 12 . 1 1 23 23 GLY N N 23 107.576 107.576 111.266 -3.690 19915 3253 1 12 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.006 1.679 19915 3254 1 12 . 1 1 23 23 GLY H H 23 7.672 7.672 8.005 -0.333 19915 3255 1 12 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.414 -0.280 19915 3256 1 12 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.729 -5.875 19915 3257 1 12 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.413 1.629 19915 3258 1 12 . 1 1 25 25 ASP N N 25 118.400 118.400 116.722 1.678 19915 3259 1 12 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.651 0.145 19915 3260 1 12 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.912 2.441 19915 3261 1 12 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.625 1.576 19915 3262 1 12 . 1 1 25 25 ASP H H 25 7.974 7.974 8.334 -0.360 19915 3263 1 12 . 1 1 26 26 VAL N N 26 121.011 121.011 121.304 -0.293 19915 3264 1 12 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.616 -0.314 19915 3265 1 12 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.237 1.616 19915 3266 1 12 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.496 1.418 19915 3267 1 12 . 1 1 26 26 VAL H H 26 9.319 9.319 8.206 1.113 19915 3268 1 12 . 1 1 27 27 PHE N N 27 130.309 130.309 128.902 1.407 19915 3269 1 12 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.210 -0.794 19915 3270 1 12 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.676 3.653 19915 3271 1 12 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.069 1.224 19915 3272 1 12 . 1 1 27 27 PHE H H 27 8.575 8.575 8.408 0.167 19915 3273 1 12 . 1 1 28 28 VAL N N 28 124.445 124.445 122.449 1.996 19915 3274 1 12 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.773 -0.408 19915 3275 1 12 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.818 -1.225 19915 3276 1 12 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.611 -0.709 19915 3277 1 12 . 1 1 28 28 VAL H H 28 7.785 7.785 8.300 -0.515 19915 3278 1 12 . 1 1 29 29 HIS N N 29 127.048 127.048 122.856 4.192 19915 3279 1 12 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.309 -0.724 19915 3280 1 12 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.731 1.760 19915 3281 1 12 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.936 0.995 19915 3282 1 12 . 1 1 29 29 HIS H H 29 8.538 8.538 8.435 0.103 19915 3283 1 12 . 1 1 30 30 PHE N N 30 123.381 123.381 120.872 2.509 19915 3284 1 12 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.672 -0.753 19915 3285 1 12 . 1 1 30 30 PHE CA C 30 60.871 60.871 61.028 -0.157 19915 3286 1 12 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.221 -0.909 19915 3287 1 12 . 1 1 30 30 PHE H H 30 8.331 8.331 8.953 -0.622 19915 3288 1 12 . 1 1 31 31 THR N N 31 117.402 117.402 111.949 5.453 19915 3289 1 12 . 1 1 31 31 THR HA H 31 3.656 3.656 4.019 -0.363 19915 3290 1 12 . 1 1 31 31 THR CA C 31 60.891 60.891 61.843 -0.952 19915 3291 1 12 . 1 1 31 31 THR CB C 31 63.467 63.467 67.810 -4.343 19915 3292 1 12 . 1 1 31 31 THR H H 31 7.606 7.606 7.731 -0.125 19915 3293 1 12 . 1 1 32 32 ALA N N 32 124.423 124.423 123.561 0.862 19915 3294 1 12 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.573 -0.182 19915 3295 1 12 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.446 2.024 19915 3296 1 12 . 1 1 32 32 ALA CB C 32 21.720 21.720 21.078 0.642 19915 3297 1 12 . 1 1 32 32 ALA H H 32 8.045 8.045 7.942 0.103 19915 3298 1 12 . 1 1 33 33 ILE N N 33 119.413 119.413 119.693 -0.280 19915 3299 1 12 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.080 -0.198 19915 3300 1 12 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.531 2.099 19915 3301 1 12 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.549 0.242 19915 3302 1 12 . 1 1 33 33 ILE H H 33 7.471 7.471 7.284 0.187 19915 3303 1 12 . 1 1 34 34 GLU N N 34 127.220 127.220 128.024 -0.804 19915 3304 1 12 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.584 -0.278 19915 3305 1 12 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.243 1.048 19915 3306 1 12 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.579 0.331 19915 3307 1 12 . 1 1 34 34 GLU H H 34 8.973 8.973 8.354 0.619 19915 3308 1 12 . 1 1 35 35 ALA N N 35 119.122 119.122 124.670 -5.548 19915 3309 1 12 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.572 0.050 19915 3310 1 12 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.053 3.097 19915 3311 1 12 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.707 -0.880 19915 3312 1 12 . 1 1 35 35 ALA H H 35 7.557 7.557 7.878 -0.321 19915 3313 1 12 . 1 1 36 36 ASP N N 36 121.814 121.814 121.632 0.182 19915 3314 1 12 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.705 -0.130 19915 3315 1 12 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.246 1.736 19915 3316 1 12 . 1 1 36 36 ASP CB C 36 41.691 41.691 40.133 1.558 19915 3317 1 12 . 1 1 36 36 ASP H H 36 8.582 8.582 8.678 -0.096 19915 3318 1 12 . 1 1 37 37 GLY N N 37 109.101 109.101 110.082 -0.981 19915 3319 1 12 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.555 1.553 19915 3320 1 12 . 1 1 37 37 GLY H H 37 8.297 8.297 7.730 0.567 19915 3321 1 12 . 1 1 38 38 PHE N N 38 121.524 121.524 125.369 -3.845 19915 3322 1 12 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.475 -0.425 19915 3323 1 12 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.954 1.096 19915 3324 1 12 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.266 0.007 19915 3325 1 12 . 1 1 38 38 PHE H H 38 7.972 7.972 8.477 -0.505 19915 3326 1 12 . 1 1 40 40 THR HA H 40 3.776 3.776 4.502 -0.726 19915 3327 1 12 . 1 1 40 40 THR CA C 40 57.432 57.432 61.320 -3.888 19915 3328 1 12 . 1 1 40 40 THR CB C 40 64.914 64.914 71.439 -6.526 19915 3329 1 12 . 1 1 40 40 THR H H 40 7.370 7.370 8.074 -0.704 19915 3330 1 12 . 1 1 41 41 LEU N N 41 119.141 119.141 122.961 -3.820 19915 3331 1 12 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.463 -0.030 19915 3332 1 12 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.465 0.156 19915 3333 1 12 . 1 1 41 41 LEU CB C 41 46.674 46.674 44.059 2.615 19915 3334 1 12 . 1 1 41 41 LEU H H 41 5.887 5.887 8.141 -2.254 19915 3335 1 12 . 1 1 42 42 ASN N N 42 119.111 119.111 120.901 -1.790 19915 3336 1 12 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.928 0.020 19915 3337 1 12 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.611 0.928 19915 3338 1 12 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.096 2.722 19915 3339 1 12 . 1 1 42 42 ASN H H 42 8.211 8.211 8.545 -0.334 19915 3340 1 12 . 1 1 43 43 GLU N N 43 121.200 121.200 125.102 -3.902 19915 3341 1 12 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.965 -0.406 19915 3342 1 12 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.093 1.055 19915 3343 1 12 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.528 0.594 19915 3344 1 12 . 1 1 43 43 GLU H H 43 8.662 8.662 9.056 -0.394 19915 3345 1 12 . 1 1 44 44 GLY N N 44 114.013 114.013 115.823 -1.810 19915 3346 1 12 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.710 1.331 19915 3347 1 12 . 1 1 44 44 GLY H H 44 9.091 9.091 8.600 0.491 19915 3348 1 12 . 1 1 45 45 GLU N N 45 121.040 121.040 120.520 0.520 19915 3349 1 12 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.563 -0.391 19915 3350 1 12 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.296 3.057 19915 3351 1 12 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.160 -1.138 19915 3352 1 12 . 1 1 45 45 GLU H H 45 7.760 7.760 7.865 -0.105 19915 3353 1 12 . 1 1 46 46 HIS N N 46 126.336 126.336 120.130 6.206 19915 3354 1 12 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.662 0.351 19915 3355 1 12 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.170 1.362 19915 3356 1 12 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.582 3.109 19915 3357 1 12 . 1 1 46 46 HIS H H 46 8.785 8.785 8.115 0.670 19915 3358 1 12 . 1 1 47 47 VAL N N 47 115.822 115.822 114.785 1.037 19915 3359 1 12 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.870 0.485 19915 3360 1 12 . 1 1 47 47 VAL CA C 47 59.702 59.702 61.029 -1.327 19915 3361 1 12 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.818 1.812 19915 3362 1 12 . 1 1 47 47 VAL H H 47 8.605 8.605 8.803 -0.198 19915 3363 1 12 . 1 1 48 48 GLU N N 48 114.820 114.820 124.944 -10.124 19915 3364 1 12 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.972 -0.331 19915 3365 1 12 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.767 1.927 19915 3366 1 12 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.099 -5.197 19915 3367 1 12 . 1 1 48 48 GLU H H 48 9.124 9.124 8.388 0.736 19915 3368 1 12 . 1 1 49 49 PHE N N 49 117.334 117.334 123.317 -5.983 19915 3369 1 12 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.529 -0.302 19915 3370 1 12 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.486 2.854 19915 3371 1 12 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.402 -1.272 19915 3372 1 12 . 1 1 49 49 PHE H H 49 8.663 8.663 8.731 -0.068 19915 3373 1 12 . 1 1 50 50 GLU N N 50 110.733 110.733 122.489 -11.756 19915 3374 1 12 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.645 0.417 19915 3375 1 12 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.957 6.023 19915 3376 1 12 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.133 0.067 19915 3377 1 12 . 1 1 50 50 GLU H H 50 8.979 8.979 8.517 0.462 19915 3378 1 12 . 1 1 51 51 VAL N N 51 121.323 121.323 120.939 0.384 19915 3379 1 12 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.658 0.040 19915 3380 1 12 . 1 1 51 51 VAL CA C 51 62.093 62.093 61.935 0.158 19915 3381 1 12 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.739 7.903 19915 3382 1 12 . 1 1 51 51 VAL H H 51 8.694 8.694 8.262 0.432 19915 3383 1 12 . 1 1 52 52 GLU N N 52 127.810 127.810 128.886 -1.076 19915 3384 1 12 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.871 -0.193 19915 3385 1 12 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.657 2.225 19915 3386 1 12 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.795 -0.434 19915 3387 1 12 . 1 1 52 52 GLU H H 52 9.189 9.189 8.263 0.926 19915 3388 1 12 . 1 1 54 54 GLY H H 54 9.310 9.310 8.683 0.627 19915 3389 1 12 . 1 1 55 55 ARG N N 55 118.520 118.520 120.277 -1.757 19915 3390 1 12 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.411 0.109 19915 3391 1 12 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.645 3.336 19915 3392 1 12 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.333 0.911 19915 3393 1 12 . 1 1 55 55 ARG H H 55 8.772 8.772 8.109 0.663 19915 3394 1 12 . 1 1 56 56 GLY N N 56 112.512 112.512 107.076 5.436 19915 3395 1 12 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.076 1.215 19915 3396 1 12 . 1 1 56 56 GLY H H 56 7.742 7.742 7.661 0.081 19915 3397 1 12 . 1 1 57 57 GLY N N 57 123.924 123.924 109.450 14.474 19915 3398 1 12 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.229 -1.706 19915 3399 1 12 . 1 1 57 57 GLY H H 57 8.634 8.634 8.332 0.302 19915 3400 1 12 . 1 1 58 58 LYS N N 58 115.021 115.021 119.926 -4.905 19915 3401 1 12 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.610 -0.272 19915 3402 1 12 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.319 -0.246 19915 3403 1 12 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.344 -0.412 19915 3404 1 12 . 1 1 58 58 LYS H H 58 8.417 8.417 8.179 0.238 19915 3405 1 12 . 1 1 59 59 GLY N N 59 108.720 108.720 106.552 2.168 19915 3406 1 12 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.332 -0.240 19915 3407 1 12 . 1 1 59 59 GLY H H 59 7.423 7.423 7.870 -0.447 19915 3408 1 12 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.958 -0.087 19915 3409 1 12 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.637 0.551 19915 3410 1 12 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.326 1.564 19915 3411 1 12 . 1 1 61 61 GLN N N 61 125.701 125.701 125.365 0.336 19915 3412 1 12 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.096 0.084 19915 3413 1 12 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.333 -1.461 19915 3414 1 12 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.709 -9.457 19915 3415 1 12 . 1 1 61 61 GLN H H 61 8.794 8.794 8.164 0.630 19915 3416 1 12 . 1 1 62 62 ALA N N 62 122.421 122.421 127.329 -4.908 19915 3417 1 12 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.485 0.564 19915 3418 1 12 . 1 1 62 62 ALA CA C 62 51.941 51.941 52.038 -0.097 19915 3419 1 12 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.201 3.719 19915 3420 1 12 . 1 1 62 62 ALA H H 62 8.898 8.898 8.644 0.254 19915 3421 1 12 . 1 1 63 63 LYS N N 63 109.000 109.000 119.879 -10.879 19915 3422 1 12 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.946 0.666 19915 3423 1 12 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.831 -4.610 19915 3424 1 12 . 1 1 63 63 LYS H H 63 9.279 9.279 8.116 1.163 19915 3425 1 12 . 1 1 64 64 LYS N N 64 116.512 116.512 119.083 -2.571 19915 3426 1 12 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.421 -0.292 19915 3427 1 12 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.312 -0.041 19915 3428 1 12 . 1 1 64 64 LYS CB C 64 38.800 38.800 34.081 4.719 19915 3429 1 12 . 1 1 64 64 LYS H H 64 9.248 9.248 7.487 1.761 19915 3430 1 12 . 1 1 65 65 VAL N N 65 118.120 118.120 126.351 -8.231 19915 3431 1 12 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.202 -0.554 19915 3432 1 12 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.039 4.192 19915 3433 1 12 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.016 -2.744 19915 3434 1 12 . 1 1 65 65 VAL H H 65 8.162 8.162 8.176 -0.014 19915 3435 1 12 . 1 1 66 66 ARG N N 66 120.932 120.932 124.688 -3.756 19915 3436 1 12 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.828 -0.065 19915 3437 1 12 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.213 7.180 19915 3438 1 12 . 1 1 66 66 ARG CB C 66 32.512 32.512 35.063 -2.551 19915 3439 1 12 . 1 1 66 66 ARG H H 66 9.023 9.023 9.068 -0.045 19915 3440 1 12 . 1 1 67 67 ARG N N 67 119.710 119.710 123.411 -3.701 19915 3441 1 12 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.311 0.316 19915 3442 1 12 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.395 3.996 19915 3443 1 12 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.725 3.808 19915 3444 1 12 . 1 1 67 67 ARG H H 67 8.798 8.798 8.635 0.163 19915 3445 1 13 . 1 1 2 2 LYS N N 2 123.000 123.000 121.007 1.993 19915 3446 1 13 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.645 -0.063 19915 3447 1 13 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.646 0.749 19915 3448 1 13 . 1 1 2 2 LYS CB C 2 34.710 34.710 36.489 -1.779 19915 3449 1 13 . 1 1 2 2 LYS H H 2 8.628 8.628 8.510 0.118 19915 3450 1 13 . 1 1 3 3 LYS N N 3 107.200 107.200 119.140 -11.940 19915 3451 1 13 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.514 0.929 19915 3452 1 13 . 1 1 3 3 LYS CA C 3 60.714 60.714 54.930 5.784 19915 3453 1 13 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.618 -3.218 19915 3454 1 13 . 1 1 3 3 LYS H H 3 7.657 7.657 8.186 -0.529 19915 3455 1 13 . 1 1 4 4 GLY N N 4 108.916 108.916 109.813 -0.897 19915 3456 1 13 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.773 1.312 19915 3457 1 13 . 1 1 4 4 GLY H H 4 8.951 8.951 8.686 0.265 19915 3458 1 13 . 1 1 5 5 THR N N 5 119.459 119.459 114.285 5.174 19915 3459 1 13 . 1 1 5 5 THR HA H 5 5.063 5.063 4.998 0.065 19915 3460 1 13 . 1 1 5 5 THR CA C 5 59.310 59.310 60.583 -1.273 19915 3461 1 13 . 1 1 5 5 THR CB C 5 72.727 72.727 70.167 2.560 19915 3462 1 13 . 1 1 5 5 THR H H 5 8.199 8.199 8.144 0.055 19915 3463 1 13 . 1 1 6 6 VAL N N 6 126.647 126.647 124.044 2.603 19915 3464 1 13 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.855 -0.325 19915 3465 1 13 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.843 3.847 19915 3466 1 13 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.073 -0.785 19915 3467 1 13 . 1 1 6 6 VAL H H 6 8.818 8.818 8.512 0.306 19915 3468 1 13 . 1 1 7 7 LYS N N 7 104.469 104.469 129.225 -24.756 19915 3469 1 13 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.469 -0.318 19915 3470 1 13 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.219 2.538 19915 3471 1 13 . 1 1 7 7 LYS CB C 7 34.977 34.977 35.093 -0.116 19915 3472 1 13 . 1 1 7 7 LYS H H 7 9.139 9.139 8.166 0.973 19915 3473 1 13 . 1 1 8 8 TRP N N 8 110.745 110.745 117.218 -6.473 19915 3474 1 13 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.707 -0.127 19915 3475 1 13 . 1 1 8 8 TRP CA C 8 57.229 57.229 57.042 0.187 19915 3476 1 13 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.500 1.083 19915 3477 1 13 . 1 1 8 8 TRP H H 8 7.427 7.427 7.293 0.134 19915 3478 1 13 . 1 1 9 9 PHE N N 9 120.922 120.922 124.873 -3.951 19915 3479 1 13 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.733 -0.584 19915 3480 1 13 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.040 3.341 19915 3481 1 13 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.892 2.041 19915 3482 1 13 . 1 1 9 9 PHE H H 9 9.247 9.247 8.554 0.693 19915 3483 1 13 . 1 1 10 10 ASN N N 10 127.119 127.119 124.887 2.232 19915 3484 1 13 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.549 0.400 19915 3485 1 13 . 1 1 10 10 ASN CA C 10 52.520 52.520 53.021 -0.501 19915 3486 1 13 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.382 1.608 19915 3487 1 13 . 1 1 10 10 ASN H H 10 8.171 8.171 7.553 0.618 19915 3488 1 13 . 1 1 11 11 ALA N N 11 128.949 128.949 128.617 0.332 19915 3489 1 13 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.392 -0.156 19915 3490 1 13 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.464 2.012 19915 3491 1 13 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.563 0.877 19915 3492 1 13 . 1 1 11 11 ALA H H 11 9.105 9.105 8.761 0.344 19915 3493 1 13 . 1 1 12 12 GLU N N 12 117.291 117.291 118.731 -1.440 19915 3494 1 13 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.109 0.365 19915 3495 1 13 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.538 -0.815 19915 3496 1 13 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.166 2.311 19915 3497 1 13 . 1 1 12 12 GLU H H 12 8.023 8.023 8.662 -0.639 19915 3498 1 13 . 1 1 13 13 LYS N N 13 116.096 116.096 115.474 0.622 19915 3499 1 13 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.519 -0.242 19915 3500 1 13 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.133 1.151 19915 3501 1 13 . 1 1 13 13 LYS CB C 13 34.493 34.493 34.447 0.046 19915 3502 1 13 . 1 1 13 13 LYS H H 13 7.437 7.437 7.954 -0.517 19915 3503 1 13 . 1 1 14 14 GLY N N 14 107.751 107.751 107.732 0.019 19915 3504 1 13 . 1 1 14 14 GLY CA C 14 47.239 47.239 45.134 2.105 19915 3505 1 13 . 1 1 14 14 GLY H H 14 8.185 8.185 7.690 0.495 19915 3506 1 13 . 1 1 15 15 TYR N N 15 112.589 112.589 116.685 -4.096 19915 3507 1 13 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.328 -0.392 19915 3508 1 13 . 1 1 15 15 TYR CA C 15 56.020 56.020 54.777 1.243 19915 3509 1 13 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.638 2.436 19915 3510 1 13 . 1 1 15 15 TYR H H 15 6.666 6.666 7.779 -1.113 19915 3511 1 13 . 1 1 16 16 GLY N N 16 105.623 105.623 105.246 0.377 19915 3512 1 13 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.354 0.605 19915 3513 1 13 . 1 1 16 16 GLY H H 16 8.022 8.022 8.511 -0.489 19915 3514 1 13 . 1 1 17 17 PHE N N 17 115.128 115.128 117.671 -2.543 19915 3515 1 13 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.038 0.001 19915 3516 1 13 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.534 0.975 19915 3517 1 13 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.967 3.317 19915 3518 1 13 . 1 1 17 17 PHE H H 17 7.810 7.810 7.879 -0.069 19915 3519 1 13 . 1 1 18 18 ILE N N 18 121.714 121.714 122.563 -0.849 19915 3520 1 13 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.054 0.080 19915 3521 1 13 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.752 -0.298 19915 3522 1 13 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.071 3.750 19915 3523 1 13 . 1 1 18 18 ILE H H 18 9.407 9.407 7.949 1.458 19915 3524 1 13 . 1 1 19 19 GLN N N 19 126.901 126.901 122.561 4.340 19915 3525 1 13 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.747 -0.592 19915 3526 1 13 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.404 6.889 19915 3527 1 13 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.863 0.527 19915 3528 1 13 . 1 1 19 19 GLN H H 19 9.353 9.353 8.260 1.093 19915 3529 1 13 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.520 0.197 19915 3530 1 13 . 1 1 21 21 GLU N N 21 123.394 123.394 119.400 3.994 19915 3531 1 13 . 1 1 21 21 GLU HA H 21 4.629 4.629 3.994 0.635 19915 3532 1 13 . 1 1 21 21 GLU CA C 21 57.470 57.470 59.234 -1.764 19915 3533 1 13 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.576 1.804 19915 3534 1 13 . 1 1 21 21 GLU H H 21 9.202 9.202 8.851 0.351 19915 3535 1 13 . 1 1 22 22 GLU N N 22 117.042 117.042 116.666 0.376 19915 3536 1 13 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.398 0.146 19915 3537 1 13 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.155 -1.444 19915 3538 1 13 . 1 1 22 22 GLU H H 22 7.989 7.989 8.210 -0.221 19915 3539 1 13 . 1 1 23 23 GLY N N 23 107.576 107.576 111.229 -3.653 19915 3540 1 13 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.009 1.676 19915 3541 1 13 . 1 1 23 23 GLY H H 23 7.672 7.672 8.063 -0.391 19915 3542 1 13 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.490 -0.356 19915 3543 1 13 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.961 -6.106 19915 3544 1 13 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.703 1.339 19915 3545 1 13 . 1 1 25 25 ASP N N 25 118.400 118.400 116.874 1.526 19915 3546 1 13 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.772 0.024 19915 3547 1 13 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.799 2.554 19915 3548 1 13 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.565 1.636 19915 3549 1 13 . 1 1 25 25 ASP H H 25 7.974 7.974 8.157 -0.183 19915 3550 1 13 . 1 1 26 26 VAL N N 26 121.011 121.011 120.727 0.284 19915 3551 1 13 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.290 0.012 19915 3552 1 13 . 1 1 26 26 VAL CA C 26 61.853 61.853 59.947 1.906 19915 3553 1 13 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.055 0.859 19915 3554 1 13 . 1 1 26 26 VAL H H 26 9.319 9.319 8.133 1.186 19915 3555 1 13 . 1 1 27 27 PHE N N 27 130.309 130.309 127.325 2.984 19915 3556 1 13 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.928 -0.512 19915 3557 1 13 . 1 1 27 27 PHE CA C 27 59.329 59.329 54.992 4.337 19915 3558 1 13 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.324 0.969 19915 3559 1 13 . 1 1 27 27 PHE H H 27 8.575 8.575 8.173 0.402 19915 3560 1 13 . 1 1 28 28 VAL N N 28 124.445 124.445 122.800 1.645 19915 3561 1 13 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.810 -0.445 19915 3562 1 13 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.713 -1.120 19915 3563 1 13 . 1 1 28 28 VAL CB C 28 34.902 34.902 36.009 -1.107 19915 3564 1 13 . 1 1 28 28 VAL H H 28 7.785 7.785 8.444 -0.659 19915 3565 1 13 . 1 1 29 29 HIS N N 29 127.048 127.048 123.145 3.903 19915 3566 1 13 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.268 -0.683 19915 3567 1 13 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.713 1.778 19915 3568 1 13 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.750 1.181 19915 3569 1 13 . 1 1 29 29 HIS H H 29 8.538 8.538 8.358 0.180 19915 3570 1 13 . 1 1 30 30 PHE N N 30 123.381 123.381 120.486 2.895 19915 3571 1 13 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.693 -0.774 19915 3572 1 13 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.243 0.628 19915 3573 1 13 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.203 -0.891 19915 3574 1 13 . 1 1 30 30 PHE H H 30 8.331 8.331 8.828 -0.497 19915 3575 1 13 . 1 1 31 31 THR N N 31 117.402 117.402 112.157 5.245 19915 3576 1 13 . 1 1 31 31 THR HA H 31 3.656 3.656 4.083 -0.427 19915 3577 1 13 . 1 1 31 31 THR CA C 31 60.891 60.891 60.745 0.146 19915 3578 1 13 . 1 1 31 31 THR CB C 31 63.467 63.467 68.118 -4.651 19915 3579 1 13 . 1 1 31 31 THR H H 31 7.606 7.606 7.737 -0.131 19915 3580 1 13 . 1 1 32 32 ALA N N 32 124.423 124.423 122.440 1.983 19915 3581 1 13 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.637 -0.246 19915 3582 1 13 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.615 1.855 19915 3583 1 13 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.624 1.096 19915 3584 1 13 . 1 1 32 32 ALA H H 32 8.045 8.045 7.856 0.189 19915 3585 1 13 . 1 1 33 33 ILE N N 33 119.413 119.413 120.304 -0.891 19915 3586 1 13 . 1 1 33 33 ILE HA H 33 3.882 3.882 3.943 -0.061 19915 3587 1 13 . 1 1 33 33 ILE CA C 33 63.630 63.630 62.094 1.536 19915 3588 1 13 . 1 1 33 33 ILE CB C 33 38.791 38.791 37.961 0.830 19915 3589 1 13 . 1 1 33 33 ILE H H 33 7.471 7.471 7.541 -0.070 19915 3590 1 13 . 1 1 34 34 GLU N N 34 127.220 127.220 128.551 -1.331 19915 3591 1 13 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.429 -0.123 19915 3592 1 13 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.864 0.427 19915 3593 1 13 . 1 1 34 34 GLU CB C 34 29.910 29.910 27.907 2.003 19915 3594 1 13 . 1 1 34 34 GLU H H 34 8.973 8.973 8.214 0.759 19915 3595 1 13 . 1 1 35 35 ALA N N 35 119.122 119.122 126.302 -7.180 19915 3596 1 13 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.622 0.000 19915 3597 1 13 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.130 3.020 19915 3598 1 13 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.351 -1.524 19915 3599 1 13 . 1 1 35 35 ALA H H 35 7.557 7.557 7.659 -0.102 19915 3600 1 13 . 1 1 36 36 ASP N N 36 121.814 121.814 123.445 -1.631 19915 3601 1 13 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.583 -0.008 19915 3602 1 13 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.331 1.651 19915 3603 1 13 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.604 2.087 19915 3604 1 13 . 1 1 36 36 ASP H H 36 8.582 8.582 8.563 0.019 19915 3605 1 13 . 1 1 37 37 GLY N N 37 109.101 109.101 108.070 1.031 19915 3606 1 13 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.223 1.885 19915 3607 1 13 . 1 1 37 37 GLY H H 37 8.297 8.297 7.805 0.492 19915 3608 1 13 . 1 1 38 38 PHE N N 38 121.524 121.524 117.828 3.696 19915 3609 1 13 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.630 -0.580 19915 3610 1 13 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.989 1.061 19915 3611 1 13 . 1 1 38 38 PHE CB C 38 39.273 39.273 38.981 0.292 19915 3612 1 13 . 1 1 38 38 PHE H H 38 7.972 7.972 8.401 -0.429 19915 3613 1 13 . 1 1 40 40 THR HA H 40 3.776 3.776 4.230 -0.454 19915 3614 1 13 . 1 1 40 40 THR CA C 40 57.432 57.432 60.143 -2.711 19915 3615 1 13 . 1 1 40 40 THR CB C 40 64.914 64.914 70.200 -5.286 19915 3616 1 13 . 1 1 40 40 THR H H 40 7.370 7.370 7.845 -0.475 19915 3617 1 13 . 1 1 41 41 LEU N N 41 119.141 119.141 118.918 0.223 19915 3618 1 13 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.376 0.057 19915 3619 1 13 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.348 0.273 19915 3620 1 13 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.648 3.026 19915 3621 1 13 . 1 1 41 41 LEU H H 41 5.887 5.887 7.426 -1.539 19915 3622 1 13 . 1 1 42 42 ASN N N 42 119.111 119.111 118.930 0.181 19915 3623 1 13 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.900 0.048 19915 3624 1 13 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.450 1.089 19915 3625 1 13 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.904 2.914 19915 3626 1 13 . 1 1 42 42 ASN H H 42 8.211 8.211 8.569 -0.358 19915 3627 1 13 . 1 1 43 43 GLU N N 43 121.200 121.200 125.667 -4.467 19915 3628 1 13 . 1 1 43 43 GLU HA H 43 3.559 3.559 4.032 -0.473 19915 3629 1 13 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.225 0.923 19915 3630 1 13 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.503 0.619 19915 3631 1 13 . 1 1 43 43 GLU H H 43 8.662 8.662 9.030 -0.368 19915 3632 1 13 . 1 1 44 44 GLY N N 44 114.013 114.013 115.867 -1.854 19915 3633 1 13 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.802 1.239 19915 3634 1 13 . 1 1 44 44 GLY H H 44 9.091 9.091 8.745 0.346 19915 3635 1 13 . 1 1 45 45 GLU N N 45 121.040 121.040 120.680 0.360 19915 3636 1 13 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.548 -0.376 19915 3637 1 13 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.572 2.781 19915 3638 1 13 . 1 1 45 45 GLU CB C 45 31.022 31.022 31.973 -0.951 19915 3639 1 13 . 1 1 45 45 GLU H H 45 7.760 7.760 7.839 -0.079 19915 3640 1 13 . 1 1 46 46 HIS N N 46 126.336 126.336 120.314 6.022 19915 3641 1 13 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.671 0.342 19915 3642 1 13 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.178 1.354 19915 3643 1 13 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.409 3.282 19915 3644 1 13 . 1 1 46 46 HIS H H 46 8.785 8.785 8.209 0.576 19915 3645 1 13 . 1 1 47 47 VAL N N 47 115.822 115.822 114.574 1.248 19915 3646 1 13 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.970 0.385 19915 3647 1 13 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.557 -0.855 19915 3648 1 13 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.570 2.060 19915 3649 1 13 . 1 1 47 47 VAL H H 47 8.605 8.605 8.928 -0.323 19915 3650 1 13 . 1 1 48 48 GLU N N 48 114.820 114.820 125.272 -10.452 19915 3651 1 13 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.877 -0.236 19915 3652 1 13 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.821 1.873 19915 3653 1 13 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.077 -5.175 19915 3654 1 13 . 1 1 48 48 GLU H H 48 9.124 9.124 8.387 0.737 19915 3655 1 13 . 1 1 49 49 PHE N N 49 117.334 117.334 123.400 -6.066 19915 3656 1 13 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.621 -0.394 19915 3657 1 13 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.613 2.727 19915 3658 1 13 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.382 -1.252 19915 3659 1 13 . 1 1 49 49 PHE H H 49 8.663 8.663 8.609 0.054 19915 3660 1 13 . 1 1 50 50 GLU N N 50 110.733 110.733 121.840 -11.107 19915 3661 1 13 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.713 0.349 19915 3662 1 13 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.801 6.179 19915 3663 1 13 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.713 0.487 19915 3664 1 13 . 1 1 50 50 GLU H H 50 8.979 8.979 8.531 0.448 19915 3665 1 13 . 1 1 51 51 VAL N N 51 121.323 121.323 120.925 0.398 19915 3666 1 13 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.644 0.054 19915 3667 1 13 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.914 -0.821 19915 3668 1 13 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.361 7.281 19915 3669 1 13 . 1 1 51 51 VAL H H 51 8.694 8.694 8.342 0.352 19915 3670 1 13 . 1 1 52 52 GLU N N 52 127.810 127.810 128.103 -0.293 19915 3671 1 13 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.866 -0.188 19915 3672 1 13 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.671 2.211 19915 3673 1 13 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.208 1.153 19915 3674 1 13 . 1 1 52 52 GLU H H 52 9.189 9.189 8.215 0.974 19915 3675 1 13 . 1 1 54 54 GLY H H 54 9.310 9.310 8.661 0.649 19915 3676 1 13 . 1 1 55 55 ARG N N 55 118.520 118.520 120.850 -2.330 19915 3677 1 13 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.469 0.051 19915 3678 1 13 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.534 3.447 19915 3679 1 13 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.768 1.476 19915 3680 1 13 . 1 1 55 55 ARG H H 55 8.772 8.772 8.131 0.641 19915 3681 1 13 . 1 1 56 56 GLY N N 56 112.512 112.512 106.927 5.585 19915 3682 1 13 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.047 1.244 19915 3683 1 13 . 1 1 56 56 GLY H H 56 7.742 7.742 7.617 0.125 19915 3684 1 13 . 1 1 57 57 GLY N N 57 123.924 123.924 109.376 14.548 19915 3685 1 13 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.126 -1.603 19915 3686 1 13 . 1 1 57 57 GLY H H 57 8.634 8.634 8.299 0.335 19915 3687 1 13 . 1 1 58 58 LYS N N 58 115.021 115.021 119.682 -4.661 19915 3688 1 13 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.569 -0.231 19915 3689 1 13 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.374 -0.301 19915 3690 1 13 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.560 -0.628 19915 3691 1 13 . 1 1 58 58 LYS H H 58 8.417 8.417 8.102 0.315 19915 3692 1 13 . 1 1 59 59 GLY N N 59 108.720 108.720 106.751 1.969 19915 3693 1 13 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.297 -0.205 19915 3694 1 13 . 1 1 59 59 GLY H H 59 7.423 7.423 7.800 -0.377 19915 3695 1 13 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.889 -0.018 19915 3696 1 13 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.639 0.549 19915 3697 1 13 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.168 1.722 19915 3698 1 13 . 1 1 61 61 GLN N N 61 125.701 125.701 125.311 0.390 19915 3699 1 13 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.053 0.127 19915 3700 1 13 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.290 -1.418 19915 3701 1 13 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.727 -9.474 19915 3702 1 13 . 1 1 61 61 GLN H H 61 8.794 8.794 8.079 0.715 19915 3703 1 13 . 1 1 62 62 ALA N N 62 122.421 122.421 126.521 -4.100 19915 3704 1 13 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.450 0.599 19915 3705 1 13 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.967 -0.026 19915 3706 1 13 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.206 3.715 19915 3707 1 13 . 1 1 62 62 ALA H H 62 8.898 8.898 8.647 0.251 19915 3708 1 13 . 1 1 63 63 LYS N N 63 109.000 109.000 119.804 -10.804 19915 3709 1 13 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.976 0.636 19915 3710 1 13 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.822 -4.601 19915 3711 1 13 . 1 1 63 63 LYS H H 63 9.279 9.279 8.212 1.067 19915 3712 1 13 . 1 1 64 64 LYS N N 64 116.512 116.512 117.798 -1.286 19915 3713 1 13 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.488 -0.359 19915 3714 1 13 . 1 1 64 64 LYS CA C 64 55.271 55.271 54.896 0.375 19915 3715 1 13 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.685 5.115 19915 3716 1 13 . 1 1 64 64 LYS H H 64 9.248 9.248 7.507 1.741 19915 3717 1 13 . 1 1 65 65 VAL N N 65 118.120 118.120 125.331 -7.211 19915 3718 1 13 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.242 -0.594 19915 3719 1 13 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.062 4.169 19915 3720 1 13 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.100 -2.828 19915 3721 1 13 . 1 1 65 65 VAL H H 65 8.162 8.162 8.062 0.100 19915 3722 1 13 . 1 1 66 66 ARG N N 66 120.932 120.932 125.036 -4.104 19915 3723 1 13 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.802 -0.039 19915 3724 1 13 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.950 6.443 19915 3725 1 13 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.888 -2.376 19915 3726 1 13 . 1 1 66 66 ARG H H 66 9.023 9.023 8.967 0.056 19915 3727 1 13 . 1 1 67 67 ARG N N 67 119.710 119.710 123.591 -3.881 19915 3728 1 13 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.271 0.356 19915 3729 1 13 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.706 3.685 19915 3730 1 13 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.594 3.939 19915 3731 1 13 . 1 1 67 67 ARG H H 67 8.798 8.798 8.532 0.266 19915 3732 1 14 . 1 1 2 2 LYS N N 2 123.000 123.000 120.514 2.486 19915 3733 1 14 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.539 0.043 19915 3734 1 14 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.466 0.929 19915 3735 1 14 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.834 -1.125 19915 3736 1 14 . 1 1 2 2 LYS H H 2 8.628 8.628 8.180 0.448 19915 3737 1 14 . 1 1 3 3 LYS N N 3 107.200 107.200 119.477 -12.277 19915 3738 1 14 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.532 0.911 19915 3739 1 14 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.087 5.627 19915 3740 1 14 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.742 -3.342 19915 3741 1 14 . 1 1 3 3 LYS H H 3 7.657 7.657 8.426 -0.769 19915 3742 1 14 . 1 1 4 4 GLY N N 4 108.916 108.916 110.231 -1.315 19915 3743 1 14 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.645 1.440 19915 3744 1 14 . 1 1 4 4 GLY H H 4 8.951 8.951 8.743 0.208 19915 3745 1 14 . 1 1 5 5 THR N N 5 119.459 119.459 114.114 5.345 19915 3746 1 14 . 1 1 5 5 THR HA H 5 5.063 5.063 4.980 0.083 19915 3747 1 14 . 1 1 5 5 THR CA C 5 59.310 59.310 60.689 -1.379 19915 3748 1 14 . 1 1 5 5 THR CB C 5 72.727 72.727 69.855 2.872 19915 3749 1 14 . 1 1 5 5 THR H H 5 8.199 8.199 8.085 0.115 19915 3750 1 14 . 1 1 6 6 VAL N N 6 126.647 126.647 123.095 3.552 19915 3751 1 14 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.963 -0.433 19915 3752 1 14 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.099 4.591 19915 3753 1 14 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.789 -1.501 19915 3754 1 14 . 1 1 6 6 VAL H H 6 8.818 8.818 8.412 0.406 19915 3755 1 14 . 1 1 7 7 LYS N N 7 104.469 104.469 129.313 -24.844 19915 3756 1 14 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.457 -0.306 19915 3757 1 14 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.869 2.888 19915 3758 1 14 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.799 0.178 19915 3759 1 14 . 1 1 7 7 LYS H H 7 9.139 9.139 8.117 1.022 19915 3760 1 14 . 1 1 8 8 TRP N N 8 110.745 110.745 116.315 -5.570 19915 3761 1 14 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.732 -0.152 19915 3762 1 14 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.862 0.367 19915 3763 1 14 . 1 1 8 8 TRP CB C 8 31.583 31.583 30.132 1.451 19915 3764 1 14 . 1 1 8 8 TRP H H 8 7.427 7.427 7.161 0.266 19915 3765 1 14 . 1 1 9 9 PHE N N 9 120.922 120.922 125.339 -4.417 19915 3766 1 14 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.892 -0.743 19915 3767 1 14 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.429 2.952 19915 3768 1 14 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.490 1.443 19915 3769 1 14 . 1 1 9 9 PHE H H 9 9.247 9.247 8.769 0.478 19915 3770 1 14 . 1 1 10 10 ASN N N 10 127.119 127.119 125.066 2.053 19915 3771 1 14 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.471 0.478 19915 3772 1 14 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.530 -0.010 19915 3773 1 14 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.384 0.606 19915 3774 1 14 . 1 1 10 10 ASN H H 10 8.171 8.171 7.785 0.386 19915 3775 1 14 . 1 1 11 11 ALA N N 11 128.949 128.949 129.195 -0.246 19915 3776 1 14 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.175 0.061 19915 3777 1 14 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.635 1.841 19915 3778 1 14 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.931 0.509 19915 3779 1 14 . 1 1 11 11 ALA H H 11 9.105 9.105 8.611 0.494 19915 3780 1 14 . 1 1 12 12 GLU N N 12 117.291 117.291 118.127 -0.836 19915 3781 1 14 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.084 0.390 19915 3782 1 14 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.590 -0.866 19915 3783 1 14 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.524 1.953 19915 3784 1 14 . 1 1 12 12 GLU H H 12 8.023 8.023 8.215 -0.192 19915 3785 1 14 . 1 1 13 13 LYS N N 13 116.096 116.096 115.073 1.023 19915 3786 1 14 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.355 -0.078 19915 3787 1 14 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.057 1.228 19915 3788 1 14 . 1 1 13 13 LYS CB C 13 34.493 34.493 34.150 0.343 19915 3789 1 14 . 1 1 13 13 LYS H H 13 7.437 7.437 7.590 -0.153 19915 3790 1 14 . 1 1 14 14 GLY N N 14 107.751 107.751 107.466 0.285 19915 3791 1 14 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.982 2.257 19915 3792 1 14 . 1 1 14 14 GLY H H 14 8.185 8.185 7.631 0.554 19915 3793 1 14 . 1 1 15 15 TYR N N 15 112.589 112.589 115.921 -3.332 19915 3794 1 14 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.503 -0.567 19915 3795 1 14 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.238 0.782 19915 3796 1 14 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.465 2.609 19915 3797 1 14 . 1 1 15 15 TYR H H 15 6.666 6.666 7.587 -0.921 19915 3798 1 14 . 1 1 16 16 GLY N N 16 105.623 105.623 105.824 -0.201 19915 3799 1 14 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.544 0.415 19915 3800 1 14 . 1 1 16 16 GLY H H 16 8.022 8.022 8.728 -0.706 19915 3801 1 14 . 1 1 17 17 PHE N N 17 115.128 115.128 117.513 -2.385 19915 3802 1 14 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.156 -0.117 19915 3803 1 14 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.649 0.860 19915 3804 1 14 . 1 1 17 17 PHE CB C 17 46.284 46.284 43.050 3.234 19915 3805 1 14 . 1 1 17 17 PHE H H 17 7.810 7.810 7.927 -0.117 19915 3806 1 14 . 1 1 18 18 ILE N N 18 121.714 121.714 122.545 -0.831 19915 3807 1 14 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.004 0.130 19915 3808 1 14 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.672 -0.218 19915 3809 1 14 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.179 3.642 19915 3810 1 14 . 1 1 18 18 ILE H H 18 9.407 9.407 7.914 1.493 19915 3811 1 14 . 1 1 19 19 GLN N N 19 126.901 126.901 122.797 4.104 19915 3812 1 14 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.709 -0.554 19915 3813 1 14 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.399 6.894 19915 3814 1 14 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.211 1.179 19915 3815 1 14 . 1 1 19 19 GLN H H 19 9.353 9.353 8.269 1.084 19915 3816 1 14 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.430 0.287 19915 3817 1 14 . 1 1 21 21 GLU N N 21 123.394 123.394 118.828 4.566 19915 3818 1 14 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.117 0.511 19915 3819 1 14 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.968 -1.498 19915 3820 1 14 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.468 1.912 19915 3821 1 14 . 1 1 21 21 GLU H H 21 9.202 9.202 8.775 0.427 19915 3822 1 14 . 1 1 22 22 GLU N N 22 117.042 117.042 118.094 -1.052 19915 3823 1 14 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.385 0.159 19915 3824 1 14 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.903 -1.192 19915 3825 1 14 . 1 1 22 22 GLU H H 22 7.989 7.989 8.244 -0.255 19915 3826 1 14 . 1 1 23 23 GLY N N 23 107.576 107.576 111.473 -3.897 19915 3827 1 14 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.089 1.596 19915 3828 1 14 . 1 1 23 23 GLY H H 23 7.672 7.672 8.080 -0.408 19915 3829 1 14 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.388 -0.254 19915 3830 1 14 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.718 -5.864 19915 3831 1 14 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.454 1.588 19915 3832 1 14 . 1 1 25 25 ASP N N 25 118.400 118.400 116.682 1.718 19915 3833 1 14 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.722 0.074 19915 3834 1 14 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.048 2.305 19915 3835 1 14 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.697 1.504 19915 3836 1 14 . 1 1 25 25 ASP H H 25 7.974 7.974 8.293 -0.319 19915 3837 1 14 . 1 1 26 26 VAL N N 26 121.011 121.011 121.102 -0.091 19915 3838 1 14 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.448 -0.146 19915 3839 1 14 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.899 0.954 19915 3840 1 14 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.221 0.693 19915 3841 1 14 . 1 1 26 26 VAL H H 26 9.319 9.319 8.070 1.249 19915 3842 1 14 . 1 1 27 27 PHE N N 27 130.309 130.309 128.147 2.162 19915 3843 1 14 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.958 -0.542 19915 3844 1 14 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.158 4.171 19915 3845 1 14 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.762 0.531 19915 3846 1 14 . 1 1 27 27 PHE H H 27 8.575 8.575 8.280 0.295 19915 3847 1 14 . 1 1 28 28 VAL N N 28 124.445 124.445 124.182 0.263 19915 3848 1 14 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.823 -0.458 19915 3849 1 14 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.249 -0.656 19915 3850 1 14 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.578 -0.676 19915 3851 1 14 . 1 1 28 28 VAL H H 28 7.785 7.785 8.503 -0.718 19915 3852 1 14 . 1 1 29 29 HIS N N 29 127.048 127.048 123.881 3.167 19915 3853 1 14 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.379 -0.794 19915 3854 1 14 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.629 1.862 19915 3855 1 14 . 1 1 29 29 HIS CB C 29 34.931 34.931 34.014 0.917 19915 3856 1 14 . 1 1 29 29 HIS H H 29 8.538 8.538 8.404 0.134 19915 3857 1 14 . 1 1 30 30 PHE N N 30 123.381 123.381 121.053 2.328 19915 3858 1 14 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.686 -0.767 19915 3859 1 14 . 1 1 30 30 PHE CA C 30 60.871 60.871 59.736 1.135 19915 3860 1 14 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.926 -0.614 19915 3861 1 14 . 1 1 30 30 PHE H H 30 8.331 8.331 9.099 -0.768 19915 3862 1 14 . 1 1 31 31 THR N N 31 117.402 117.402 112.924 4.478 19915 3863 1 14 . 1 1 31 31 THR HA H 31 3.656 3.656 3.963 -0.307 19915 3864 1 14 . 1 1 31 31 THR CA C 31 60.891 60.891 60.886 0.004 19915 3865 1 14 . 1 1 31 31 THR CB C 31 63.467 63.467 68.472 -5.005 19915 3866 1 14 . 1 1 31 31 THR H H 31 7.606 7.606 7.912 -0.306 19915 3867 1 14 . 1 1 32 32 ALA N N 32 124.423 124.423 121.911 2.512 19915 3868 1 14 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.657 -0.266 19915 3869 1 14 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.618 1.852 19915 3870 1 14 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.557 1.163 19915 3871 1 14 . 1 1 32 32 ALA H H 32 8.045 8.045 7.786 0.259 19915 3872 1 14 . 1 1 33 33 ILE N N 33 119.413 119.413 120.389 -0.976 19915 3873 1 14 . 1 1 33 33 ILE HA H 33 3.882 3.882 3.906 -0.024 19915 3874 1 14 . 1 1 33 33 ILE CA C 33 63.630 63.630 62.051 1.579 19915 3875 1 14 . 1 1 33 33 ILE CB C 33 38.791 38.791 37.795 0.995 19915 3876 1 14 . 1 1 33 33 ILE H H 33 7.471 7.471 7.491 -0.020 19915 3877 1 14 . 1 1 34 34 GLU N N 34 127.220 127.220 128.824 -1.604 19915 3878 1 14 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.389 -0.083 19915 3879 1 14 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.868 0.423 19915 3880 1 14 . 1 1 34 34 GLU CB C 34 29.910 29.910 27.863 2.047 19915 3881 1 14 . 1 1 34 34 GLU H H 34 8.973 8.973 8.165 0.808 19915 3882 1 14 . 1 1 35 35 ALA N N 35 119.122 119.122 126.034 -6.912 19915 3883 1 14 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.590 0.032 19915 3884 1 14 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.208 2.942 19915 3885 1 14 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.477 -1.650 19915 3886 1 14 . 1 1 35 35 ALA H H 35 7.557 7.557 7.674 -0.117 19915 3887 1 14 . 1 1 36 36 ASP N N 36 121.814 121.814 123.459 -1.645 19915 3888 1 14 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.540 0.035 19915 3889 1 14 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.551 1.431 19915 3890 1 14 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.283 2.408 19915 3891 1 14 . 1 1 36 36 ASP H H 36 8.582 8.582 8.751 -0.169 19915 3892 1 14 . 1 1 37 37 GLY N N 37 109.101 109.101 108.740 0.361 19915 3893 1 14 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.211 1.897 19915 3894 1 14 . 1 1 37 37 GLY H H 37 8.297 8.297 7.710 0.587 19915 3895 1 14 . 1 1 38 38 PHE N N 38 121.524 121.524 119.892 1.632 19915 3896 1 14 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.526 -0.476 19915 3897 1 14 . 1 1 38 38 PHE CA C 38 59.050 59.050 58.318 0.732 19915 3898 1 14 . 1 1 38 38 PHE CB C 38 39.273 39.273 38.179 1.094 19915 3899 1 14 . 1 1 38 38 PHE H H 38 7.972 7.972 7.817 0.155 19915 3900 1 14 . 1 1 40 40 THR HA H 40 3.776 3.776 4.605 -0.829 19915 3901 1 14 . 1 1 40 40 THR CA C 40 57.432 57.432 60.714 -3.282 19915 3902 1 14 . 1 1 40 40 THR CB C 40 64.914 64.914 69.992 -5.078 19915 3903 1 14 . 1 1 40 40 THR H H 40 7.370 7.370 8.022 -0.652 19915 3904 1 14 . 1 1 41 41 LEU N N 41 119.141 119.141 120.780 -1.639 19915 3905 1 14 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.468 -0.035 19915 3906 1 14 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.428 0.193 19915 3907 1 14 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.754 2.920 19915 3908 1 14 . 1 1 41 41 LEU H H 41 5.887 5.887 8.063 -2.176 19915 3909 1 14 . 1 1 42 42 ASN N N 42 119.111 119.111 119.353 -0.242 19915 3910 1 14 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.875 0.073 19915 3911 1 14 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.478 1.061 19915 3912 1 14 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.293 3.525 19915 3913 1 14 . 1 1 42 42 ASN H H 42 8.211 8.211 8.512 -0.301 19915 3914 1 14 . 1 1 43 43 GLU N N 43 121.200 121.200 125.826 -4.626 19915 3915 1 14 . 1 1 43 43 GLU HA H 43 3.559 3.559 4.045 -0.486 19915 3916 1 14 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.201 0.947 19915 3917 1 14 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.547 0.575 19915 3918 1 14 . 1 1 43 43 GLU H H 43 8.662 8.662 9.037 -0.375 19915 3919 1 14 . 1 1 44 44 GLY N N 44 114.013 114.013 115.849 -1.836 19915 3920 1 14 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.798 1.243 19915 3921 1 14 . 1 1 44 44 GLY H H 44 9.091 9.091 8.748 0.343 19915 3922 1 14 . 1 1 45 45 GLU N N 45 121.040 121.040 120.841 0.199 19915 3923 1 14 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.504 -0.332 19915 3924 1 14 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.735 2.618 19915 3925 1 14 . 1 1 45 45 GLU CB C 45 31.022 31.022 31.809 -0.787 19915 3926 1 14 . 1 1 45 45 GLU H H 45 7.760 7.760 7.796 -0.036 19915 3927 1 14 . 1 1 46 46 HIS N N 46 126.336 126.336 120.392 5.944 19915 3928 1 14 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.639 0.374 19915 3929 1 14 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.237 1.295 19915 3930 1 14 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.296 3.396 19915 3931 1 14 . 1 1 46 46 HIS H H 46 8.785 8.785 8.173 0.612 19915 3932 1 14 . 1 1 47 47 VAL N N 47 115.822 115.822 115.228 0.594 19915 3933 1 14 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.879 0.476 19915 3934 1 14 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.959 -1.257 19915 3935 1 14 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.839 1.791 19915 3936 1 14 . 1 1 47 47 VAL H H 47 8.605 8.605 8.805 -0.200 19915 3937 1 14 . 1 1 48 48 GLU N N 48 114.820 114.820 124.889 -10.069 19915 3938 1 14 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.912 -0.271 19915 3939 1 14 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.830 1.864 19915 3940 1 14 . 1 1 48 48 GLU CB C 48 26.902 26.902 31.993 -5.091 19915 3941 1 14 . 1 1 48 48 GLU H H 48 9.124 9.124 8.374 0.750 19915 3942 1 14 . 1 1 49 49 PHE N N 49 117.334 117.334 123.225 -5.891 19915 3943 1 14 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.562 -0.335 19915 3944 1 14 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.610 2.730 19915 3945 1 14 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.461 -1.331 19915 3946 1 14 . 1 1 49 49 PHE H H 49 8.663 8.663 8.631 0.032 19915 3947 1 14 . 1 1 50 50 GLU N N 50 110.733 110.733 121.985 -11.252 19915 3948 1 14 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.745 0.317 19915 3949 1 14 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.516 6.464 19915 3950 1 14 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.306 -0.106 19915 3951 1 14 . 1 1 50 50 GLU H H 50 8.979 8.979 8.543 0.436 19915 3952 1 14 . 1 1 51 51 VAL N N 51 121.323 121.323 121.196 0.127 19915 3953 1 14 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.603 0.095 19915 3954 1 14 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.847 -0.754 19915 3955 1 14 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.378 7.264 19915 3956 1 14 . 1 1 51 51 VAL H H 51 8.694 8.694 8.391 0.303 19915 3957 1 14 . 1 1 52 52 GLU N N 52 127.810 127.810 127.973 -0.163 19915 3958 1 14 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.810 -0.132 19915 3959 1 14 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.870 2.012 19915 3960 1 14 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.076 0.285 19915 3961 1 14 . 1 1 52 52 GLU H H 52 9.189 9.189 8.296 0.893 19915 3962 1 14 . 1 1 54 54 GLY H H 54 9.310 9.310 8.706 0.604 19915 3963 1 14 . 1 1 55 55 ARG N N 55 118.520 118.520 120.650 -2.130 19915 3964 1 14 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.495 0.025 19915 3965 1 14 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.794 3.187 19915 3966 1 14 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.235 1.009 19915 3967 1 14 . 1 1 55 55 ARG H H 55 8.772 8.772 8.005 0.767 19915 3968 1 14 . 1 1 56 56 GLY N N 56 112.512 112.512 106.799 5.713 19915 3969 1 14 . 1 1 56 56 GLY CA C 56 45.291 45.291 43.930 1.361 19915 3970 1 14 . 1 1 56 56 GLY H H 56 7.742 7.742 7.616 0.126 19915 3971 1 14 . 1 1 57 57 GLY N N 57 123.924 123.924 109.298 14.626 19915 3972 1 14 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.251 -1.728 19915 3973 1 14 . 1 1 57 57 GLY H H 57 8.634 8.634 8.313 0.321 19915 3974 1 14 . 1 1 58 58 LYS N N 58 115.021 115.021 120.267 -5.246 19915 3975 1 14 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.573 -0.235 19915 3976 1 14 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.337 -0.264 19915 3977 1 14 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.176 -0.244 19915 3978 1 14 . 1 1 58 58 LYS H H 58 8.417 8.417 8.217 0.200 19915 3979 1 14 . 1 1 59 59 GLY N N 59 108.720 108.720 106.406 2.314 19915 3980 1 14 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.238 -0.146 19915 3981 1 14 . 1 1 59 59 GLY H H 59 7.423 7.423 7.831 -0.408 19915 3982 1 14 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.933 -0.062 19915 3983 1 14 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.620 0.568 19915 3984 1 14 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.183 1.707 19915 3985 1 14 . 1 1 61 61 GLN N N 61 125.701 125.701 125.350 0.351 19915 3986 1 14 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.042 0.138 19915 3987 1 14 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.337 -1.465 19915 3988 1 14 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.675 -9.422 19915 3989 1 14 . 1 1 61 61 GLN H H 61 8.794 8.794 8.101 0.693 19915 3990 1 14 . 1 1 62 62 ALA N N 62 122.421 122.421 126.861 -4.440 19915 3991 1 14 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.425 0.624 19915 3992 1 14 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.992 -0.051 19915 3993 1 14 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.190 3.730 19915 3994 1 14 . 1 1 62 62 ALA H H 62 8.898 8.898 8.592 0.306 19915 3995 1 14 . 1 1 63 63 LYS N N 63 109.000 109.000 119.848 -10.848 19915 3996 1 14 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.978 0.634 19915 3997 1 14 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.797 -4.577 19915 3998 1 14 . 1 1 63 63 LYS H H 63 9.279 9.279 8.250 1.029 19915 3999 1 14 . 1 1 64 64 LYS N N 64 116.512 116.512 118.038 -1.526 19915 4000 1 14 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.484 -0.355 19915 4001 1 14 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.307 -0.036 19915 4002 1 14 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.367 5.433 19915 4003 1 14 . 1 1 64 64 LYS H H 64 9.248 9.248 7.399 1.849 19915 4004 1 14 . 1 1 65 65 VAL N N 65 118.120 118.120 125.960 -7.840 19915 4005 1 14 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.257 -0.609 19915 4006 1 14 . 1 1 65 65 VAL CA C 65 64.231 64.231 59.979 4.252 19915 4007 1 14 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.270 -2.998 19915 4008 1 14 . 1 1 65 65 VAL H H 65 8.162 8.162 8.125 0.037 19915 4009 1 14 . 1 1 66 66 ARG N N 66 120.932 120.932 125.048 -4.116 19915 4010 1 14 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.838 -0.075 19915 4011 1 14 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.177 7.216 19915 4012 1 14 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.989 -2.477 19915 4013 1 14 . 1 1 66 66 ARG H H 66 9.023 9.023 9.010 0.013 19915 4014 1 14 . 1 1 67 67 ARG N N 67 119.710 119.710 123.233 -3.523 19915 4015 1 14 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.295 0.332 19915 4016 1 14 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.635 3.756 19915 4017 1 14 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.687 3.846 19915 4018 1 14 . 1 1 67 67 ARG H H 67 8.798 8.798 8.532 0.266 19915 4019 1 15 . 1 1 2 2 LYS N N 2 123.000 123.000 122.115 0.885 19915 4020 1 15 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.515 0.067 19915 4021 1 15 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.606 0.789 19915 4022 1 15 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.449 -0.739 19915 4023 1 15 . 1 1 2 2 LYS H H 2 8.628 8.628 8.521 0.107 19915 4024 1 15 . 1 1 3 3 LYS N N 3 107.200 107.200 119.626 -12.426 19915 4025 1 15 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.588 0.855 19915 4026 1 15 . 1 1 3 3 LYS CA C 3 60.714 60.714 54.985 5.729 19915 4027 1 15 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.002 -3.602 19915 4028 1 15 . 1 1 3 3 LYS H H 3 7.657 7.657 8.367 -0.710 19915 4029 1 15 . 1 1 4 4 GLY N N 4 108.916 108.916 110.695 -1.779 19915 4030 1 15 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.662 1.423 19915 4031 1 15 . 1 1 4 4 GLY H H 4 8.951 8.951 8.774 0.177 19915 4032 1 15 . 1 1 5 5 THR N N 5 119.459 119.459 114.199 5.260 19915 4033 1 15 . 1 1 5 5 THR HA H 5 5.063 5.063 4.902 0.161 19915 4034 1 15 . 1 1 5 5 THR CA C 5 59.310 59.310 60.466 -1.156 19915 4035 1 15 . 1 1 5 5 THR CB C 5 72.727 72.727 69.945 2.782 19915 4036 1 15 . 1 1 5 5 THR H H 5 8.199 8.199 8.048 0.151 19915 4037 1 15 . 1 1 6 6 VAL N N 6 126.647 126.647 122.520 4.127 19915 4038 1 15 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.996 -0.466 19915 4039 1 15 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.112 4.578 19915 4040 1 15 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.788 -1.500 19915 4041 1 15 . 1 1 6 6 VAL H H 6 8.818 8.818 8.504 0.314 19915 4042 1 15 . 1 1 7 7 LYS N N 7 104.469 104.469 129.366 -24.897 19915 4043 1 15 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.478 -0.327 19915 4044 1 15 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.806 2.951 19915 4045 1 15 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.854 0.123 19915 4046 1 15 . 1 1 7 7 LYS H H 7 9.139 9.139 8.120 1.019 19915 4047 1 15 . 1 1 8 8 TRP N N 8 110.745 110.745 117.384 -6.639 19915 4048 1 15 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.728 -0.148 19915 4049 1 15 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.815 0.414 19915 4050 1 15 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.935 1.648 19915 4051 1 15 . 1 1 8 8 TRP H H 8 7.427 7.427 7.192 0.235 19915 4052 1 15 . 1 1 9 9 PHE N N 9 120.922 120.922 124.932 -4.010 19915 4053 1 15 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.770 -0.621 19915 4054 1 15 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.080 3.301 19915 4055 1 15 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.201 1.732 19915 4056 1 15 . 1 1 9 9 PHE H H 9 9.247 9.247 8.732 0.515 19915 4057 1 15 . 1 1 10 10 ASN N N 10 127.119 127.119 126.151 0.968 19915 4058 1 15 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.604 0.345 19915 4059 1 15 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.776 -0.256 19915 4060 1 15 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.383 1.607 19915 4061 1 15 . 1 1 10 10 ASN H H 10 8.171 8.171 8.158 0.013 19915 4062 1 15 . 1 1 11 11 ALA N N 11 128.949 128.949 127.685 1.264 19915 4063 1 15 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.141 0.095 19915 4064 1 15 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.875 1.601 19915 4065 1 15 . 1 1 11 11 ALA CB C 11 19.440 19.440 19.057 0.383 19915 4066 1 15 . 1 1 11 11 ALA H H 11 9.105 9.105 8.223 0.882 19915 4067 1 15 . 1 1 12 12 GLU N N 12 117.291 117.291 118.275 -0.984 19915 4068 1 15 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.091 0.383 19915 4069 1 15 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.806 -1.082 19915 4070 1 15 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.325 2.152 19915 4071 1 15 . 1 1 12 12 GLU H H 12 8.023 8.023 8.456 -0.433 19915 4072 1 15 . 1 1 13 13 LYS N N 13 116.096 116.096 116.530 -0.434 19915 4073 1 15 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.350 -0.073 19915 4074 1 15 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.509 0.776 19915 4075 1 15 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.587 0.906 19915 4076 1 15 . 1 1 13 13 LYS H H 13 7.437 7.437 8.053 -0.616 19915 4077 1 15 . 1 1 14 14 GLY N N 14 107.751 107.751 107.857 -0.106 19915 4078 1 15 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.811 2.428 19915 4079 1 15 . 1 1 14 14 GLY H H 14 8.185 8.185 7.956 0.229 19915 4080 1 15 . 1 1 15 15 TYR N N 15 112.589 112.589 116.763 -4.174 19915 4081 1 15 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.702 -0.766 19915 4082 1 15 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.143 0.877 19915 4083 1 15 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.372 2.702 19915 4084 1 15 . 1 1 15 15 TYR H H 15 6.666 6.666 8.056 -1.390 19915 4085 1 15 . 1 1 16 16 GLY N N 16 105.623 105.623 107.283 -1.660 19915 4086 1 15 . 1 1 16 16 GLY CA C 16 45.959 45.959 44.242 1.717 19915 4087 1 15 . 1 1 16 16 GLY H H 16 8.022 8.022 8.818 -0.796 19915 4088 1 15 . 1 1 17 17 PHE N N 17 115.128 115.128 116.886 -1.758 19915 4089 1 15 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.068 -0.029 19915 4090 1 15 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.433 1.076 19915 4091 1 15 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.452 3.832 19915 4092 1 15 . 1 1 17 17 PHE H H 17 7.810 7.810 7.731 0.079 19915 4093 1 15 . 1 1 18 18 ILE N N 18 121.714 121.714 122.506 -0.792 19915 4094 1 15 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.008 0.126 19915 4095 1 15 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.696 -0.242 19915 4096 1 15 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.022 3.799 19915 4097 1 15 . 1 1 18 18 ILE H H 18 9.407 9.407 7.784 1.623 19915 4098 1 15 . 1 1 19 19 GLN N N 19 126.901 126.901 120.751 6.150 19915 4099 1 15 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.735 -0.580 19915 4100 1 15 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.426 6.867 19915 4101 1 15 . 1 1 19 19 GLN CB C 19 31.390 31.390 31.355 0.035 19915 4102 1 15 . 1 1 19 19 GLN H H 19 9.353 9.353 8.367 0.986 19915 4103 1 15 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.517 0.200 19915 4104 1 15 . 1 1 21 21 GLU N N 21 123.394 123.394 119.126 4.268 19915 4105 1 15 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.068 0.561 19915 4106 1 15 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.887 -1.417 19915 4107 1 15 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.564 1.816 19915 4108 1 15 . 1 1 21 21 GLU H H 21 9.202 9.202 8.764 0.438 19915 4109 1 15 . 1 1 22 22 GLU N N 22 117.042 117.042 118.543 -1.501 19915 4110 1 15 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.361 0.183 19915 4111 1 15 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.056 -1.345 19915 4112 1 15 . 1 1 22 22 GLU H H 22 7.989 7.989 8.243 -0.254 19915 4113 1 15 . 1 1 23 23 GLY N N 23 107.576 107.576 110.995 -3.419 19915 4114 1 15 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.948 1.737 19915 4115 1 15 . 1 1 23 23 GLY H H 23 7.672 7.672 8.028 -0.356 19915 4116 1 15 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.408 -0.274 19915 4117 1 15 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.670 -5.816 19915 4118 1 15 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.331 1.710 19915 4119 1 15 . 1 1 25 25 ASP N N 25 118.400 118.400 116.630 1.770 19915 4120 1 15 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.571 0.225 19915 4121 1 15 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.880 2.473 19915 4122 1 15 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.654 1.547 19915 4123 1 15 . 1 1 25 25 ASP H H 25 7.974 7.974 8.269 -0.295 19915 4124 1 15 . 1 1 26 26 VAL N N 26 121.011 121.011 121.427 -0.416 19915 4125 1 15 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.587 -0.285 19915 4126 1 15 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.146 1.707 19915 4127 1 15 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.383 1.531 19915 4128 1 15 . 1 1 26 26 VAL H H 26 9.319 9.319 8.002 1.317 19915 4129 1 15 . 1 1 27 27 PHE N N 27 130.309 130.309 129.140 1.169 19915 4130 1 15 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.262 -0.846 19915 4131 1 15 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.524 3.805 19915 4132 1 15 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.081 1.212 19915 4133 1 15 . 1 1 27 27 PHE H H 27 8.575 8.575 8.468 0.107 19915 4134 1 15 . 1 1 28 28 VAL N N 28 124.445 124.445 124.270 0.175 19915 4135 1 15 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.528 -0.163 19915 4136 1 15 . 1 1 28 28 VAL CA C 28 58.593 58.593 58.967 -0.374 19915 4137 1 15 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.456 -0.555 19915 4138 1 15 . 1 1 28 28 VAL H H 28 7.785 7.785 8.292 -0.507 19915 4139 1 15 . 1 1 29 29 HIS N N 29 127.048 127.048 123.471 3.577 19915 4140 1 15 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.298 -0.713 19915 4141 1 15 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.603 2.888 19915 4142 1 15 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.254 1.677 19915 4143 1 15 . 1 1 29 29 HIS H H 29 8.538 8.538 8.104 0.434 19915 4144 1 15 . 1 1 30 30 PHE N N 30 123.381 123.381 120.616 2.765 19915 4145 1 15 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.825 -0.906 19915 4146 1 15 . 1 1 30 30 PHE CA C 30 60.871 60.871 59.930 0.941 19915 4147 1 15 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.093 -0.780 19915 4148 1 15 . 1 1 30 30 PHE H H 30 8.331 8.331 9.124 -0.793 19915 4149 1 15 . 1 1 31 31 THR N N 31 117.402 117.402 112.286 5.116 19915 4150 1 15 . 1 1 31 31 THR HA H 31 3.656 3.656 3.910 -0.254 19915 4151 1 15 . 1 1 31 31 THR CA C 31 60.891 60.891 60.880 0.011 19915 4152 1 15 . 1 1 31 31 THR CB C 31 63.467 63.467 67.231 -3.764 19915 4153 1 15 . 1 1 31 31 THR H H 31 7.606 7.606 7.901 -0.295 19915 4154 1 15 . 1 1 32 32 ALA N N 32 124.423 124.423 122.590 1.833 19915 4155 1 15 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.571 -0.180 19915 4156 1 15 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.296 2.174 19915 4157 1 15 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.835 0.885 19915 4158 1 15 . 1 1 32 32 ALA H H 32 8.045 8.045 7.872 0.173 19915 4159 1 15 . 1 1 33 33 ILE N N 33 119.413 119.413 119.986 -0.573 19915 4160 1 15 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.035 -0.153 19915 4161 1 15 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.892 1.738 19915 4162 1 15 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.808 -0.017 19915 4163 1 15 . 1 1 33 33 ILE H H 33 7.471 7.471 7.286 0.185 19915 4164 1 15 . 1 1 34 34 GLU N N 34 127.220 127.220 126.479 0.741 19915 4165 1 15 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.563 -0.257 19915 4166 1 15 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.123 1.168 19915 4167 1 15 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.804 0.106 19915 4168 1 15 . 1 1 34 34 GLU H H 34 8.973 8.973 8.285 0.688 19915 4169 1 15 . 1 1 35 35 ALA N N 35 119.122 119.122 124.121 -4.999 19915 4170 1 15 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.568 0.054 19915 4171 1 15 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.963 3.187 19915 4172 1 15 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.214 -1.387 19915 4173 1 15 . 1 1 35 35 ALA H H 35 7.557 7.557 7.916 -0.359 19915 4174 1 15 . 1 1 36 36 ASP N N 36 121.814 121.814 121.622 0.192 19915 4175 1 15 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.705 -0.130 19915 4176 1 15 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.599 1.383 19915 4177 1 15 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.763 1.928 19915 4178 1 15 . 1 1 36 36 ASP H H 36 8.582 8.582 8.700 -0.118 19915 4179 1 15 . 1 1 37 37 GLY N N 37 109.101 109.101 109.812 -0.711 19915 4180 1 15 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.554 1.554 19915 4181 1 15 . 1 1 37 37 GLY H H 37 8.297 8.297 7.799 0.498 19915 4182 1 15 . 1 1 38 38 PHE N N 38 121.524 121.524 124.511 -2.987 19915 4183 1 15 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.411 -0.361 19915 4184 1 15 . 1 1 38 38 PHE CA C 38 59.050 59.050 58.403 0.647 19915 4185 1 15 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.257 0.016 19915 4186 1 15 . 1 1 38 38 PHE H H 38 7.972 7.972 8.693 -0.721 19915 4187 1 15 . 1 1 40 40 THR HA H 40 3.776 3.776 3.975 -0.199 19915 4188 1 15 . 1 1 40 40 THR CA C 40 57.432 57.432 59.751 -2.319 19915 4189 1 15 . 1 1 40 40 THR CB C 40 64.914 64.914 71.078 -6.164 19915 4190 1 15 . 1 1 40 40 THR H H 40 7.370 7.370 7.896 -0.526 19915 4191 1 15 . 1 1 41 41 LEU N N 41 119.141 119.141 119.253 -0.112 19915 4192 1 15 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.497 -0.064 19915 4193 1 15 . 1 1 41 41 LEU CA C 41 53.621 53.621 52.796 0.825 19915 4194 1 15 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.287 3.387 19915 4195 1 15 . 1 1 41 41 LEU H H 41 5.887 5.887 7.124 -1.237 19915 4196 1 15 . 1 1 42 42 ASN N N 42 119.111 119.111 118.754 0.357 19915 4197 1 15 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.853 0.095 19915 4198 1 15 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.018 1.521 19915 4199 1 15 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.398 2.420 19915 4200 1 15 . 1 1 42 42 ASN H H 42 8.211 8.211 8.354 -0.143 19915 4201 1 15 . 1 1 43 43 GLU N N 43 121.200 121.200 124.964 -3.764 19915 4202 1 15 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.919 -0.360 19915 4203 1 15 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.202 0.946 19915 4204 1 15 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.620 0.502 19915 4205 1 15 . 1 1 43 43 GLU H H 43 8.662 8.662 9.017 -0.355 19915 4206 1 15 . 1 1 44 44 GLY N N 44 114.013 114.013 114.933 -0.920 19915 4207 1 15 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.866 1.175 19915 4208 1 15 . 1 1 44 44 GLY H H 44 9.091 9.091 8.539 0.552 19915 4209 1 15 . 1 1 45 45 GLU N N 45 121.040 121.040 121.076 -0.036 19915 4210 1 15 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.763 -0.591 19915 4211 1 15 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.117 3.236 19915 4212 1 15 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.221 -1.199 19915 4213 1 15 . 1 1 45 45 GLU H H 45 7.760 7.760 7.955 -0.195 19915 4214 1 15 . 1 1 46 46 HIS N N 46 126.336 126.336 120.027 6.309 19915 4215 1 15 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.701 0.312 19915 4216 1 15 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.144 1.388 19915 4217 1 15 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.605 3.086 19915 4218 1 15 . 1 1 46 46 HIS H H 46 8.785 8.785 8.178 0.607 19915 4219 1 15 . 1 1 47 47 VAL N N 47 115.822 115.822 114.264 1.558 19915 4220 1 15 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.945 0.410 19915 4221 1 15 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.579 -0.877 19915 4222 1 15 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.550 2.080 19915 4223 1 15 . 1 1 47 47 VAL H H 47 8.605 8.605 8.933 -0.328 19915 4224 1 15 . 1 1 48 48 GLU N N 48 114.820 114.820 125.134 -10.314 19915 4225 1 15 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.857 -0.216 19915 4226 1 15 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.801 1.893 19915 4227 1 15 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.006 -5.104 19915 4228 1 15 . 1 1 48 48 GLU H H 48 9.124 9.124 8.383 0.741 19915 4229 1 15 . 1 1 49 49 PHE N N 49 117.334 117.334 123.241 -5.907 19915 4230 1 15 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.620 -0.393 19915 4231 1 15 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.626 2.714 19915 4232 1 15 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.280 -1.150 19915 4233 1 15 . 1 1 49 49 PHE H H 49 8.663 8.663 8.584 0.079 19915 4234 1 15 . 1 1 50 50 GLU N N 50 110.733 110.733 122.188 -11.455 19915 4235 1 15 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.631 0.431 19915 4236 1 15 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.917 6.063 19915 4237 1 15 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.770 0.430 19915 4238 1 15 . 1 1 50 50 GLU H H 50 8.979 8.979 8.562 0.417 19915 4239 1 15 . 1 1 51 51 VAL N N 51 121.323 121.323 121.144 0.179 19915 4240 1 15 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.563 0.135 19915 4241 1 15 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.876 -0.783 19915 4242 1 15 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.404 7.238 19915 4243 1 15 . 1 1 51 51 VAL H H 51 8.694 8.694 8.315 0.379 19915 4244 1 15 . 1 1 52 52 GLU N N 52 127.810 127.810 128.030 -0.220 19915 4245 1 15 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.931 -0.253 19915 4246 1 15 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.802 2.080 19915 4247 1 15 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.755 -0.394 19915 4248 1 15 . 1 1 52 52 GLU H H 52 9.189 9.189 8.226 0.963 19915 4249 1 15 . 1 1 54 54 GLY H H 54 9.310 9.310 8.675 0.635 19915 4250 1 15 . 1 1 55 55 ARG N N 55 118.520 118.520 120.716 -2.196 19915 4251 1 15 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.503 0.017 19915 4252 1 15 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.834 3.147 19915 4253 1 15 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.922 1.322 19915 4254 1 15 . 1 1 55 55 ARG H H 55 8.772 8.772 8.107 0.665 19915 4255 1 15 . 1 1 56 56 GLY N N 56 112.512 112.512 106.860 5.652 19915 4256 1 15 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.135 1.157 19915 4257 1 15 . 1 1 56 56 GLY H H 56 7.742 7.742 7.673 0.069 19915 4258 1 15 . 1 1 57 57 GLY N N 57 123.924 123.924 109.756 14.168 19915 4259 1 15 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.426 -1.903 19915 4260 1 15 . 1 1 57 57 GLY H H 57 8.634 8.634 8.405 0.229 19915 4261 1 15 . 1 1 58 58 LYS N N 58 115.021 115.021 119.807 -4.786 19915 4262 1 15 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.610 -0.272 19915 4263 1 15 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.764 -0.691 19915 4264 1 15 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.276 -0.344 19915 4265 1 15 . 1 1 58 58 LYS H H 58 8.417 8.417 8.286 0.131 19915 4266 1 15 . 1 1 59 59 GLY N N 59 108.720 108.720 106.093 2.627 19915 4267 1 15 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.202 -0.110 19915 4268 1 15 . 1 1 59 59 GLY H H 59 7.423 7.423 7.767 -0.344 19915 4269 1 15 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.926 -0.055 19915 4270 1 15 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.631 0.557 19915 4271 1 15 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.070 1.820 19915 4272 1 15 . 1 1 61 61 GLN N N 61 125.701 125.701 125.440 0.261 19915 4273 1 15 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.018 0.162 19915 4274 1 15 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.329 -1.457 19915 4275 1 15 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.546 -9.293 19915 4276 1 15 . 1 1 61 61 GLN H H 61 8.794 8.794 8.133 0.661 19915 4277 1 15 . 1 1 62 62 ALA N N 62 122.421 122.421 127.005 -4.584 19915 4278 1 15 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.505 0.544 19915 4279 1 15 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.974 -0.033 19915 4280 1 15 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.146 3.774 19915 4281 1 15 . 1 1 62 62 ALA H H 62 8.898 8.898 8.628 0.270 19915 4282 1 15 . 1 1 63 63 LYS N N 63 109.000 109.000 119.140 -10.140 19915 4283 1 15 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.935 0.677 19915 4284 1 15 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.831 -4.611 19915 4285 1 15 . 1 1 63 63 LYS H H 63 9.279 9.279 8.097 1.182 19915 4286 1 15 . 1 1 64 64 LYS N N 64 116.512 116.512 117.780 -1.268 19915 4287 1 15 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.510 -0.381 19915 4288 1 15 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.388 -0.117 19915 4289 1 15 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.651 5.149 19915 4290 1 15 . 1 1 64 64 LYS H H 64 9.248 9.248 7.378 1.870 19915 4291 1 15 . 1 1 65 65 VAL N N 65 118.120 118.120 126.083 -7.963 19915 4292 1 15 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.220 -0.572 19915 4293 1 15 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.243 3.988 19915 4294 1 15 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.612 -3.340 19915 4295 1 15 . 1 1 65 65 VAL H H 65 8.162 8.162 8.336 -0.174 19915 4296 1 15 . 1 1 66 66 ARG N N 66 120.932 120.932 124.856 -3.924 19915 4297 1 15 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.840 -0.077 19915 4298 1 15 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.245 7.148 19915 4299 1 15 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.825 -2.313 19915 4300 1 15 . 1 1 66 66 ARG H H 66 9.023 9.023 9.063 -0.040 19915 4301 1 15 . 1 1 67 67 ARG N N 67 119.710 119.710 123.805 -4.095 19915 4302 1 15 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.294 0.333 19915 4303 1 15 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.611 3.780 19915 4304 1 15 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.715 3.818 19915 4305 1 15 . 1 1 67 67 ARG H H 67 8.798 8.798 8.645 0.153 19915 4306 1 16 . 1 1 2 2 LYS N N 2 123.000 123.000 120.734 2.266 19915 4307 1 16 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.530 0.052 19915 4308 1 16 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.504 0.891 19915 4309 1 16 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.630 -0.920 19915 4310 1 16 . 1 1 2 2 LYS H H 2 8.628 8.628 8.197 0.431 19915 4311 1 16 . 1 1 3 3 LYS N N 3 107.200 107.200 118.909 -11.709 19915 4312 1 16 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.713 0.730 19915 4313 1 16 . 1 1 3 3 LYS CA C 3 60.714 60.714 54.934 5.780 19915 4314 1 16 . 1 1 3 3 LYS CB C 3 32.400 32.400 36.144 -3.744 19915 4315 1 16 . 1 1 3 3 LYS H H 3 7.657 7.657 8.082 -0.425 19915 4316 1 16 . 1 1 4 4 GLY N N 4 108.916 108.916 110.100 -1.184 19915 4317 1 16 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.610 1.475 19915 4318 1 16 . 1 1 4 4 GLY H H 4 8.951 8.951 8.826 0.125 19915 4319 1 16 . 1 1 5 5 THR N N 5 119.459 119.459 114.583 4.876 19915 4320 1 16 . 1 1 5 5 THR HA H 5 5.063 5.063 4.910 0.153 19915 4321 1 16 . 1 1 5 5 THR CA C 5 59.310 59.310 60.368 -1.058 19915 4322 1 16 . 1 1 5 5 THR CB C 5 72.727 72.727 69.672 3.055 19915 4323 1 16 . 1 1 5 5 THR H H 5 8.199 8.199 8.096 0.103 19915 4324 1 16 . 1 1 6 6 VAL N N 6 126.647 126.647 124.453 2.194 19915 4325 1 16 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.984 -0.454 19915 4326 1 16 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.217 4.473 19915 4327 1 16 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.502 -1.214 19915 4328 1 16 . 1 1 6 6 VAL H H 6 8.818 8.818 8.407 0.411 19915 4329 1 16 . 1 1 7 7 LYS N N 7 104.469 104.469 129.514 -25.045 19915 4330 1 16 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.478 -0.327 19915 4331 1 16 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.657 2.099 19915 4332 1 16 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.965 0.012 19915 4333 1 16 . 1 1 7 7 LYS H H 7 9.139 9.139 8.226 0.913 19915 4334 1 16 . 1 1 8 8 TRP N N 8 110.745 110.745 116.448 -5.703 19915 4335 1 16 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.759 -0.179 19915 4336 1 16 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.867 0.362 19915 4337 1 16 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.783 1.800 19915 4338 1 16 . 1 1 8 8 TRP H H 8 7.427 7.427 7.434 -0.007 19915 4339 1 16 . 1 1 9 9 PHE N N 9 120.922 120.922 126.096 -5.174 19915 4340 1 16 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.801 -0.652 19915 4341 1 16 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.829 3.552 19915 4342 1 16 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.033 1.899 19915 4343 1 16 . 1 1 9 9 PHE H H 9 9.247 9.247 8.513 0.734 19915 4344 1 16 . 1 1 10 10 ASN N N 10 127.119 127.119 125.691 1.428 19915 4345 1 16 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.596 0.353 19915 4346 1 16 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.736 -0.216 19915 4347 1 16 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.136 0.855 19915 4348 1 16 . 1 1 10 10 ASN H H 10 8.171 8.171 8.334 -0.163 19915 4349 1 16 . 1 1 11 11 ALA N N 11 128.949 128.949 128.610 0.339 19915 4350 1 16 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.822 0.414 19915 4351 1 16 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.656 1.820 19915 4352 1 16 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.858 0.583 19915 4353 1 16 . 1 1 11 11 ALA H H 11 9.105 9.105 8.580 0.525 19915 4354 1 16 . 1 1 12 12 GLU N N 12 117.291 117.291 118.826 -1.535 19915 4355 1 16 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.966 0.508 19915 4356 1 16 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.740 -1.016 19915 4357 1 16 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.741 1.736 19915 4358 1 16 . 1 1 12 12 GLU H H 12 8.023 8.023 7.957 0.066 19915 4359 1 16 . 1 1 13 13 LYS N N 13 116.096 116.096 116.330 -0.234 19915 4360 1 16 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.080 0.197 19915 4361 1 16 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.265 1.020 19915 4362 1 16 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.156 1.337 19915 4363 1 16 . 1 1 13 13 LYS H H 13 7.437 7.437 8.080 -0.643 19915 4364 1 16 . 1 1 14 14 GLY N N 14 107.751 107.751 106.541 1.210 19915 4365 1 16 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.594 2.645 19915 4366 1 16 . 1 1 14 14 GLY H H 14 8.185 8.185 7.494 0.691 19915 4367 1 16 . 1 1 15 15 TYR N N 15 112.589 112.589 118.705 -6.116 19915 4368 1 16 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.828 -0.892 19915 4369 1 16 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.938 0.082 19915 4370 1 16 . 1 1 15 15 TYR CB C 15 43.074 43.074 42.040 1.034 19915 4371 1 16 . 1 1 15 15 TYR H H 15 6.666 6.666 7.619 -0.953 19915 4372 1 16 . 1 1 16 16 GLY N N 16 105.623 105.623 105.890 -0.267 19915 4373 1 16 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.588 0.371 19915 4374 1 16 . 1 1 16 16 GLY H H 16 8.022 8.022 8.925 -0.903 19915 4375 1 16 . 1 1 17 17 PHE N N 17 115.128 115.128 117.666 -2.538 19915 4376 1 16 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.122 -0.083 19915 4377 1 16 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.630 0.879 19915 4378 1 16 . 1 1 17 17 PHE CB C 17 46.284 46.284 43.044 3.240 19915 4379 1 16 . 1 1 17 17 PHE H H 17 7.810 7.810 7.821 -0.011 19915 4380 1 16 . 1 1 18 18 ILE N N 18 121.714 121.714 122.491 -0.777 19915 4381 1 16 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.049 0.085 19915 4382 1 16 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.349 0.105 19915 4383 1 16 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.451 3.370 19915 4384 1 16 . 1 1 18 18 ILE H H 18 9.407 9.407 7.744 1.663 19915 4385 1 16 . 1 1 19 19 GLN N N 19 126.901 126.901 122.148 4.753 19915 4386 1 16 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.680 -0.525 19915 4387 1 16 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.385 6.909 19915 4388 1 16 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.469 0.921 19915 4389 1 16 . 1 1 19 19 GLN H H 19 9.353 9.353 8.230 1.123 19915 4390 1 16 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.683 0.034 19915 4391 1 16 . 1 1 21 21 GLU N N 21 123.394 123.394 123.609 -0.215 19915 4392 1 16 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.305 0.324 19915 4393 1 16 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.241 -0.771 19915 4394 1 16 . 1 1 21 21 GLU CB C 21 31.380 31.380 30.268 1.112 19915 4395 1 16 . 1 1 21 21 GLU H H 21 9.202 9.202 9.026 0.176 19915 4396 1 16 . 1 1 22 22 GLU N N 22 117.042 117.042 117.125 -0.083 19915 4397 1 16 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.456 0.088 19915 4398 1 16 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.250 -1.539 19915 4399 1 16 . 1 1 22 22 GLU H H 22 7.989 7.989 8.326 -0.337 19915 4400 1 16 . 1 1 23 23 GLY N N 23 107.576 107.576 109.341 -1.765 19915 4401 1 16 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.769 1.916 19915 4402 1 16 . 1 1 23 23 GLY H H 23 7.672 7.672 7.667 0.005 19915 4403 1 16 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.551 -0.417 19915 4404 1 16 . 1 1 24 24 PRO CA C 24 57.854 57.854 62.618 -4.764 19915 4405 1 16 . 1 1 24 24 PRO CB C 24 34.042 34.042 33.243 0.799 19915 4406 1 16 . 1 1 25 25 ASP N N 25 118.400 118.400 118.990 -0.590 19915 4407 1 16 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.365 0.431 19915 4408 1 16 . 1 1 25 25 ASP CA C 25 56.353 56.353 55.801 0.552 19915 4409 1 16 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.331 1.869 19915 4410 1 16 . 1 1 25 25 ASP H H 25 7.974 7.974 8.621 -0.647 19915 4411 1 16 . 1 1 26 26 VAL N N 26 121.011 121.011 120.010 1.001 19915 4412 1 16 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.227 0.075 19915 4413 1 16 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.730 1.123 19915 4414 1 16 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.742 0.172 19915 4415 1 16 . 1 1 26 26 VAL H H 26 9.319 9.319 7.766 1.553 19915 4416 1 16 . 1 1 27 27 PHE N N 27 130.309 130.309 127.406 2.903 19915 4417 1 16 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.992 -0.576 19915 4418 1 16 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.193 4.136 19915 4419 1 16 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.501 0.792 19915 4420 1 16 . 1 1 27 27 PHE H H 27 8.575 8.575 8.251 0.324 19915 4421 1 16 . 1 1 28 28 VAL N N 28 124.445 124.445 122.109 2.336 19915 4422 1 16 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.551 -0.186 19915 4423 1 16 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.871 -1.278 19915 4424 1 16 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.800 -0.898 19915 4425 1 16 . 1 1 28 28 VAL H H 28 7.785 7.785 8.329 -0.544 19915 4426 1 16 . 1 1 29 29 HIS N N 29 127.048 127.048 122.034 5.014 19915 4427 1 16 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.470 -0.885 19915 4428 1 16 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.459 3.032 19915 4429 1 16 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.061 1.870 19915 4430 1 16 . 1 1 29 29 HIS H H 29 8.538 8.538 8.009 0.529 19915 4431 1 16 . 1 1 30 30 PHE N N 30 123.381 123.381 120.900 2.481 19915 4432 1 16 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.794 -0.875 19915 4433 1 16 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.247 0.624 19915 4434 1 16 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.832 -0.520 19915 4435 1 16 . 1 1 30 30 PHE H H 30 8.331 8.331 9.118 -0.787 19915 4436 1 16 . 1 1 31 31 THR N N 31 117.402 117.402 112.700 4.702 19915 4437 1 16 . 1 1 31 31 THR HA H 31 3.656 3.656 3.903 -0.247 19915 4438 1 16 . 1 1 31 31 THR CA C 31 60.891 60.891 60.801 0.090 19915 4439 1 16 . 1 1 31 31 THR CB C 31 63.467 63.467 67.490 -4.023 19915 4440 1 16 . 1 1 31 31 THR H H 31 7.606 7.606 7.961 -0.355 19915 4441 1 16 . 1 1 32 32 ALA N N 32 124.423 124.423 122.373 2.050 19915 4442 1 16 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.570 -0.179 19915 4443 1 16 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.365 2.105 19915 4444 1 16 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.724 0.996 19915 4445 1 16 . 1 1 32 32 ALA H H 32 8.045 8.045 7.839 0.206 19915 4446 1 16 . 1 1 33 33 ILE N N 33 119.413 119.413 119.608 -0.195 19915 4447 1 16 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.002 -0.120 19915 4448 1 16 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.964 1.666 19915 4449 1 16 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.337 0.454 19915 4450 1 16 . 1 1 33 33 ILE H H 33 7.471 7.471 7.313 0.158 19915 4451 1 16 . 1 1 34 34 GLU N N 34 127.220 127.220 128.010 -0.790 19915 4452 1 16 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.552 -0.246 19915 4453 1 16 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.333 0.958 19915 4454 1 16 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.414 0.496 19915 4455 1 16 . 1 1 34 34 GLU H H 34 8.973 8.973 8.379 0.594 19915 4456 1 16 . 1 1 35 35 ALA N N 35 119.122 119.122 124.641 -5.519 19915 4457 1 16 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.571 0.051 19915 4458 1 16 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.144 3.006 19915 4459 1 16 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.974 -1.147 19915 4460 1 16 . 1 1 35 35 ALA H H 35 7.557 7.557 7.786 -0.229 19915 4461 1 16 . 1 1 36 36 ASP N N 36 121.814 121.814 121.896 -0.082 19915 4462 1 16 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.752 -0.177 19915 4463 1 16 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.040 1.942 19915 4464 1 16 . 1 1 36 36 ASP CB C 36 41.691 41.691 40.096 1.595 19915 4465 1 16 . 1 1 36 36 ASP H H 36 8.582 8.582 8.663 -0.081 19915 4466 1 16 . 1 1 37 37 GLY N N 37 109.101 109.101 109.936 -0.835 19915 4467 1 16 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.702 1.406 19915 4468 1 16 . 1 1 37 37 GLY H H 37 8.297 8.297 7.635 0.662 19915 4469 1 16 . 1 1 38 38 PHE N N 38 121.524 121.524 124.766 -3.242 19915 4470 1 16 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.534 -0.484 19915 4471 1 16 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.694 1.356 19915 4472 1 16 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.199 0.074 19915 4473 1 16 . 1 1 38 38 PHE H H 38 7.972 7.972 8.339 -0.367 19915 4474 1 16 . 1 1 40 40 THR HA H 40 3.776 3.776 4.006 -0.230 19915 4475 1 16 . 1 1 40 40 THR CA C 40 57.432 57.432 60.730 -3.298 19915 4476 1 16 . 1 1 40 40 THR CB C 40 64.914 64.914 70.238 -5.324 19915 4477 1 16 . 1 1 40 40 THR H H 40 7.370 7.370 7.823 -0.453 19915 4478 1 16 . 1 1 41 41 LEU N N 41 119.141 119.141 120.189 -1.048 19915 4479 1 16 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.535 -0.102 19915 4480 1 16 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.246 0.375 19915 4481 1 16 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.576 3.098 19915 4482 1 16 . 1 1 41 41 LEU H H 41 5.887 5.887 7.317 -1.430 19915 4483 1 16 . 1 1 42 42 ASN N N 42 119.111 119.111 118.266 0.845 19915 4484 1 16 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.930 0.018 19915 4485 1 16 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.161 1.378 19915 4486 1 16 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.596 3.222 19915 4487 1 16 . 1 1 42 42 ASN H H 42 8.211 8.211 8.335 -0.124 19915 4488 1 16 . 1 1 43 43 GLU N N 43 121.200 121.200 124.756 -3.556 19915 4489 1 16 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.950 -0.391 19915 4490 1 16 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.265 0.883 19915 4491 1 16 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.584 0.538 19915 4492 1 16 . 1 1 43 43 GLU H H 43 8.662 8.662 9.042 -0.380 19915 4493 1 16 . 1 1 44 44 GLY N N 44 114.013 114.013 114.990 -0.977 19915 4494 1 16 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.872 1.169 19915 4495 1 16 . 1 1 44 44 GLY H H 44 9.091 9.091 8.566 0.525 19915 4496 1 16 . 1 1 45 45 GLU N N 45 121.040 121.040 121.197 -0.157 19915 4497 1 16 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.708 -0.536 19915 4498 1 16 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.146 3.207 19915 4499 1 16 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.137 -1.115 19915 4500 1 16 . 1 1 45 45 GLU H H 45 7.760 7.760 7.946 -0.186 19915 4501 1 16 . 1 1 46 46 HIS N N 46 126.336 126.336 120.173 6.163 19915 4502 1 16 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.934 0.079 19915 4503 1 16 . 1 1 46 46 HIS CA C 46 57.532 57.532 55.798 1.734 19915 4504 1 16 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.537 3.154 19915 4505 1 16 . 1 1 46 46 HIS H H 46 8.785 8.785 8.101 0.684 19915 4506 1 16 . 1 1 47 47 VAL N N 47 115.822 115.822 115.596 0.226 19915 4507 1 16 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.850 0.505 19915 4508 1 16 . 1 1 47 47 VAL CA C 47 59.702 59.702 59.910 -0.208 19915 4509 1 16 . 1 1 47 47 VAL CB C 47 37.630 37.630 34.998 2.632 19915 4510 1 16 . 1 1 47 47 VAL H H 47 8.605 8.605 8.910 -0.305 19915 4511 1 16 . 1 1 48 48 GLU N N 48 114.820 114.820 125.276 -10.456 19915 4512 1 16 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.894 -0.253 19915 4513 1 16 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.693 2.001 19915 4514 1 16 . 1 1 48 48 GLU CB C 48 26.902 26.902 31.849 -4.947 19915 4515 1 16 . 1 1 48 48 GLU H H 48 9.124 9.124 8.354 0.770 19915 4516 1 16 . 1 1 49 49 PHE N N 49 117.334 117.334 123.146 -5.812 19915 4517 1 16 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.524 -0.297 19915 4518 1 16 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.553 2.787 19915 4519 1 16 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.403 -1.272 19915 4520 1 16 . 1 1 49 49 PHE H H 49 8.663 8.663 8.606 0.057 19915 4521 1 16 . 1 1 50 50 GLU N N 50 110.733 110.733 122.596 -11.863 19915 4522 1 16 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.688 0.374 19915 4523 1 16 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.620 6.361 19915 4524 1 16 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.498 -0.298 19915 4525 1 16 . 1 1 50 50 GLU H H 50 8.979 8.979 8.485 0.494 19915 4526 1 16 . 1 1 51 51 VAL N N 51 121.323 121.323 121.769 -0.446 19915 4527 1 16 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.649 0.049 19915 4528 1 16 . 1 1 51 51 VAL CA C 51 62.093 62.093 61.753 0.340 19915 4529 1 16 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.497 8.145 19915 4530 1 16 . 1 1 51 51 VAL H H 51 8.694 8.694 8.299 0.395 19915 4531 1 16 . 1 1 52 52 GLU N N 52 127.810 127.810 129.331 -1.521 19915 4532 1 16 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.917 -0.239 19915 4533 1 16 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.509 2.373 19915 4534 1 16 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.864 0.497 19915 4535 1 16 . 1 1 52 52 GLU H H 52 9.189 9.189 8.268 0.921 19915 4536 1 16 . 1 1 54 54 GLY H H 54 9.310 9.310 8.414 0.896 19915 4537 1 16 . 1 1 55 55 ARG N N 55 118.520 118.520 119.645 -1.125 19915 4538 1 16 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.486 0.034 19915 4539 1 16 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.826 3.155 19915 4540 1 16 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.120 1.124 19915 4541 1 16 . 1 1 55 55 ARG H H 55 8.772 8.772 8.063 0.709 19915 4542 1 16 . 1 1 56 56 GLY N N 56 112.512 112.512 107.309 5.203 19915 4543 1 16 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.290 1.001 19915 4544 1 16 . 1 1 56 56 GLY H H 56 7.742 7.742 7.681 0.062 19915 4545 1 16 . 1 1 57 57 GLY N N 57 123.924 123.924 109.958 13.966 19915 4546 1 16 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.402 -1.879 19915 4547 1 16 . 1 1 57 57 GLY H H 57 8.634 8.634 8.521 0.113 19915 4548 1 16 . 1 1 58 58 LYS N N 58 115.021 115.021 118.500 -3.479 19915 4549 1 16 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.481 -0.143 19915 4550 1 16 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.578 -0.505 19915 4551 1 16 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.150 -0.218 19915 4552 1 16 . 1 1 58 58 LYS H H 58 8.417 8.417 8.104 0.313 19915 4553 1 16 . 1 1 59 59 GLY N N 59 108.720 108.720 106.734 1.986 19915 4554 1 16 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.010 0.082 19915 4555 1 16 . 1 1 59 59 GLY H H 59 7.423 7.423 7.662 -0.239 19915 4556 1 16 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.880 -0.009 19915 4557 1 16 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.655 0.533 19915 4558 1 16 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.316 1.574 19915 4559 1 16 . 1 1 61 61 GLN N N 61 125.701 125.701 125.246 0.455 19915 4560 1 16 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.065 0.115 19915 4561 1 16 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.301 -1.429 19915 4562 1 16 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.700 -9.447 19915 4563 1 16 . 1 1 61 61 GLN H H 61 8.794 8.794 8.103 0.691 19915 4564 1 16 . 1 1 62 62 ALA N N 62 122.421 122.421 126.502 -4.081 19915 4565 1 16 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.393 0.656 19915 4566 1 16 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.834 0.107 19915 4567 1 16 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.177 3.743 19915 4568 1 16 . 1 1 62 62 ALA H H 62 8.898 8.898 8.693 0.205 19915 4569 1 16 . 1 1 63 63 LYS N N 63 109.000 109.000 119.416 -10.416 19915 4570 1 16 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.897 0.715 19915 4571 1 16 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.550 -4.329 19915 4572 1 16 . 1 1 63 63 LYS H H 63 9.279 9.279 8.033 1.246 19915 4573 1 16 . 1 1 64 64 LYS N N 64 116.512 116.512 118.306 -1.794 19915 4574 1 16 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.469 -0.340 19915 4575 1 16 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.120 0.151 19915 4576 1 16 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.857 4.943 19915 4577 1 16 . 1 1 64 64 LYS H H 64 9.248 9.248 7.386 1.862 19915 4578 1 16 . 1 1 65 65 VAL N N 65 118.120 118.120 125.459 -7.339 19915 4579 1 16 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.206 -0.558 19915 4580 1 16 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.083 4.148 19915 4581 1 16 . 1 1 65 65 VAL CB C 65 32.272 32.272 34.952 -2.680 19915 4582 1 16 . 1 1 65 65 VAL H H 65 8.162 8.162 8.160 0.002 19915 4583 1 16 . 1 1 66 66 ARG N N 66 120.932 120.932 124.574 -3.642 19915 4584 1 16 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.794 -0.031 19915 4585 1 16 . 1 1 66 66 ARG CA C 66 60.393 60.393 54.215 6.178 19915 4586 1 16 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.838 -2.326 19915 4587 1 16 . 1 1 66 66 ARG H H 66 9.023 9.023 9.022 0.001 19915 4588 1 16 . 1 1 67 67 ARG N N 67 119.710 119.710 123.177 -3.467 19915 4589 1 16 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.245 0.382 19915 4590 1 16 . 1 1 67 67 ARG CA C 67 60.391 60.391 57.029 3.361 19915 4591 1 16 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.685 3.848 19915 4592 1 16 . 1 1 67 67 ARG H H 67 8.798 8.798 8.653 0.145 19915 4593 1 17 . 1 1 2 2 LYS N N 2 123.000 123.000 121.221 1.779 19915 4594 1 17 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.626 -0.044 19915 4595 1 17 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.838 0.557 19915 4596 1 17 . 1 1 2 2 LYS CB C 2 34.710 34.710 36.673 -1.963 19915 4597 1 17 . 1 1 2 2 LYS H H 2 8.628 8.628 8.444 0.184 19915 4598 1 17 . 1 1 3 3 LYS N N 3 107.200 107.200 119.456 -12.256 19915 4599 1 17 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.705 0.738 19915 4600 1 17 . 1 1 3 3 LYS CA C 3 60.714 60.714 54.951 5.763 19915 4601 1 17 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.624 -3.224 19915 4602 1 17 . 1 1 3 3 LYS H H 3 7.657 7.657 8.217 -0.560 19915 4603 1 17 . 1 1 4 4 GLY N N 4 108.916 108.916 109.998 -1.082 19915 4604 1 17 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.711 1.374 19915 4605 1 17 . 1 1 4 4 GLY H H 4 8.951 8.951 8.737 0.214 19915 4606 1 17 . 1 1 5 5 THR N N 5 119.459 119.459 114.227 5.232 19915 4607 1 17 . 1 1 5 5 THR HA H 5 5.063 5.063 4.918 0.145 19915 4608 1 17 . 1 1 5 5 THR CA C 5 59.310 59.310 61.066 -1.756 19915 4609 1 17 . 1 1 5 5 THR CB C 5 72.727 72.727 69.697 3.030 19915 4610 1 17 . 1 1 5 5 THR H H 5 8.199 8.199 8.097 0.102 19915 4611 1 17 . 1 1 6 6 VAL N N 6 126.647 126.647 123.282 3.365 19915 4612 1 17 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.948 -0.418 19915 4613 1 17 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.294 4.396 19915 4614 1 17 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.630 -1.342 19915 4615 1 17 . 1 1 6 6 VAL H H 6 8.818 8.818 8.409 0.409 19915 4616 1 17 . 1 1 7 7 LYS N N 7 104.469 104.469 129.642 -25.173 19915 4617 1 17 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.459 -0.308 19915 4618 1 17 . 1 1 7 7 LYS CA C 7 59.757 59.757 57.014 2.743 19915 4619 1 17 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.705 0.272 19915 4620 1 17 . 1 1 7 7 LYS H H 7 9.139 9.139 8.143 0.996 19915 4621 1 17 . 1 1 8 8 TRP N N 8 110.745 110.745 116.101 -5.356 19915 4622 1 17 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.734 -0.154 19915 4623 1 17 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.773 0.456 19915 4624 1 17 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.781 1.802 19915 4625 1 17 . 1 1 8 8 TRP H H 8 7.427 7.427 7.349 0.078 19915 4626 1 17 . 1 1 9 9 PHE N N 9 120.922 120.922 125.743 -4.821 19915 4627 1 17 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.820 -0.671 19915 4628 1 17 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.002 3.379 19915 4629 1 17 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.059 1.874 19915 4630 1 17 . 1 1 9 9 PHE H H 9 9.247 9.247 8.484 0.763 19915 4631 1 17 . 1 1 10 10 ASN N N 10 127.119 127.119 125.427 1.692 19915 4632 1 17 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.440 0.509 19915 4633 1 17 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.119 0.401 19915 4634 1 17 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.400 1.590 19915 4635 1 17 . 1 1 10 10 ASN H H 10 8.171 8.171 7.875 0.296 19915 4636 1 17 . 1 1 11 11 ALA N N 11 128.949 128.949 129.411 -0.462 19915 4637 1 17 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.005 0.231 19915 4638 1 17 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.363 2.113 19915 4639 1 17 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.910 0.530 19915 4640 1 17 . 1 1 11 11 ALA H H 11 9.105 9.105 8.551 0.554 19915 4641 1 17 . 1 1 12 12 GLU N N 12 117.291 117.291 118.266 -0.975 19915 4642 1 17 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.001 0.473 19915 4643 1 17 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.378 -0.654 19915 4644 1 17 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.703 1.774 19915 4645 1 17 . 1 1 12 12 GLU H H 12 8.023 8.023 8.096 -0.073 19915 4646 1 17 . 1 1 13 13 LYS N N 13 116.096 116.096 116.732 -0.636 19915 4647 1 17 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.257 0.020 19915 4648 1 17 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.267 1.018 19915 4649 1 17 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.662 0.831 19915 4650 1 17 . 1 1 13 13 LYS H H 13 7.437 7.437 7.745 -0.308 19915 4651 1 17 . 1 1 14 14 GLY N N 14 107.751 107.751 107.919 -0.168 19915 4652 1 17 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.656 2.583 19915 4653 1 17 . 1 1 14 14 GLY H H 14 8.185 8.185 7.666 0.519 19915 4654 1 17 . 1 1 15 15 TYR N N 15 112.589 112.589 116.586 -3.997 19915 4655 1 17 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.577 -0.641 19915 4656 1 17 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.059 0.961 19915 4657 1 17 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.751 2.323 19915 4658 1 17 . 1 1 15 15 TYR H H 15 6.666 6.666 7.622 -0.956 19915 4659 1 17 . 1 1 16 16 GLY N N 16 105.623 105.623 105.742 -0.119 19915 4660 1 17 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.349 0.610 19915 4661 1 17 . 1 1 16 16 GLY H H 16 8.022 8.022 8.310 -0.288 19915 4662 1 17 . 1 1 17 17 PHE N N 17 115.128 115.128 117.165 -2.037 19915 4663 1 17 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.059 -0.020 19915 4664 1 17 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.617 0.892 19915 4665 1 17 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.788 3.496 19915 4666 1 17 . 1 1 17 17 PHE H H 17 7.810 7.810 7.884 -0.074 19915 4667 1 17 . 1 1 18 18 ILE N N 18 121.714 121.714 122.436 -0.722 19915 4668 1 17 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.009 0.125 19915 4669 1 17 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.743 -0.289 19915 4670 1 17 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.086 3.735 19915 4671 1 17 . 1 1 18 18 ILE H H 18 9.407 9.407 8.079 1.327 19915 4672 1 17 . 1 1 19 19 GLN N N 19 126.901 126.901 122.305 4.596 19915 4673 1 17 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.767 -0.612 19915 4674 1 17 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.411 6.882 19915 4675 1 17 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.542 0.848 19915 4676 1 17 . 1 1 19 19 GLN H H 19 9.353 9.353 8.430 0.923 19915 4677 1 17 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.531 0.186 19915 4678 1 17 . 1 1 21 21 GLU N N 21 123.394 123.394 118.705 4.689 19915 4679 1 17 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.089 0.540 19915 4680 1 17 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.687 -1.217 19915 4681 1 17 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.640 1.740 19915 4682 1 17 . 1 1 21 21 GLU H H 21 9.202 9.202 8.821 0.381 19915 4683 1 17 . 1 1 22 22 GLU N N 22 117.042 117.042 116.995 0.047 19915 4684 1 17 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.413 0.131 19915 4685 1 17 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.080 -1.369 19915 4686 1 17 . 1 1 22 22 GLU H H 22 7.989 7.989 8.116 -0.127 19915 4687 1 17 . 1 1 23 23 GLY N N 23 107.576 107.576 111.341 -3.765 19915 4688 1 17 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.034 1.651 19915 4689 1 17 . 1 1 23 23 GLY H H 23 7.672 7.672 8.063 -0.391 19915 4690 1 17 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.458 -0.324 19915 4691 1 17 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.941 -6.087 19915 4692 1 17 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.738 1.304 19915 4693 1 17 . 1 1 25 25 ASP N N 25 118.400 118.400 116.573 1.827 19915 4694 1 17 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.713 0.083 19915 4695 1 17 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.888 2.465 19915 4696 1 17 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.560 1.641 19915 4697 1 17 . 1 1 25 25 ASP H H 25 7.974 7.974 8.159 -0.185 19915 4698 1 17 . 1 1 26 26 VAL N N 26 121.011 121.011 121.172 -0.161 19915 4699 1 17 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.661 -0.359 19915 4700 1 17 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.270 1.583 19915 4701 1 17 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.109 0.805 19915 4702 1 17 . 1 1 26 26 VAL H H 26 9.319 9.319 8.216 1.103 19915 4703 1 17 . 1 1 27 27 PHE N N 27 130.309 130.309 128.166 2.143 19915 4704 1 17 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.274 -0.858 19915 4705 1 17 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.956 3.373 19915 4706 1 17 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.662 0.631 19915 4707 1 17 . 1 1 27 27 PHE H H 27 8.575 8.575 8.285 0.290 19915 4708 1 17 . 1 1 28 28 VAL N N 28 124.445 124.445 122.092 2.353 19915 4709 1 17 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.545 -0.180 19915 4710 1 17 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.638 -1.045 19915 4711 1 17 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.421 -0.519 19915 4712 1 17 . 1 1 28 28 VAL H H 28 7.785 7.785 7.897 -0.112 19915 4713 1 17 . 1 1 29 29 HIS N N 29 127.048 127.048 122.349 4.699 19915 4714 1 17 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.082 -0.497 19915 4715 1 17 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.549 2.942 19915 4716 1 17 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.893 1.038 19915 4717 1 17 . 1 1 29 29 HIS H H 29 8.538 8.538 8.247 0.291 19915 4718 1 17 . 1 1 30 30 PHE N N 30 123.381 123.381 120.696 2.685 19915 4719 1 17 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.768 -0.849 19915 4720 1 17 . 1 1 30 30 PHE CA C 30 60.871 60.871 59.776 1.095 19915 4721 1 17 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.023 -0.711 19915 4722 1 17 . 1 1 30 30 PHE H H 30 8.331 8.331 8.882 -0.551 19915 4723 1 17 . 1 1 31 31 THR N N 31 117.402 117.402 113.562 3.840 19915 4724 1 17 . 1 1 31 31 THR HA H 31 3.656 3.656 3.980 -0.324 19915 4725 1 17 . 1 1 31 31 THR CA C 31 60.891 60.891 61.135 -0.244 19915 4726 1 17 . 1 1 31 31 THR CB C 31 63.467 63.467 67.147 -3.679 19915 4727 1 17 . 1 1 31 31 THR H H 31 7.606 7.606 7.648 -0.042 19915 4728 1 17 . 1 1 32 32 ALA N N 32 124.423 124.423 122.290 2.133 19915 4729 1 17 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.558 -0.167 19915 4730 1 17 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.405 2.065 19915 4731 1 17 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.980 0.740 19915 4732 1 17 . 1 1 32 32 ALA H H 32 8.045 8.045 7.961 0.084 19915 4733 1 17 . 1 1 33 33 ILE N N 33 119.413 119.413 119.979 -0.566 19915 4734 1 17 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.057 -0.175 19915 4735 1 17 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.904 1.726 19915 4736 1 17 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.640 0.151 19915 4737 1 17 . 1 1 33 33 ILE H H 33 7.471 7.471 7.313 0.158 19915 4738 1 17 . 1 1 34 34 GLU N N 34 127.220 127.220 127.555 -0.335 19915 4739 1 17 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.597 -0.291 19915 4740 1 17 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.230 1.061 19915 4741 1 17 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.561 0.349 19915 4742 1 17 . 1 1 34 34 GLU H H 34 8.973 8.973 8.261 0.712 19915 4743 1 17 . 1 1 35 35 ALA N N 35 119.122 119.122 124.052 -4.930 19915 4744 1 17 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.520 0.102 19915 4745 1 17 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.985 3.165 19915 4746 1 17 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.062 -1.235 19915 4747 1 17 . 1 1 35 35 ALA H H 35 7.557 7.557 7.821 -0.264 19915 4748 1 17 . 1 1 36 36 ASP N N 36 121.814 121.814 120.524 1.290 19915 4749 1 17 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.650 -0.075 19915 4750 1 17 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.512 2.470 19915 4751 1 17 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.650 2.041 19915 4752 1 17 . 1 1 36 36 ASP H H 36 8.582 8.582 8.612 -0.030 19915 4753 1 17 . 1 1 37 37 GLY N N 37 109.101 109.101 111.123 -2.022 19915 4754 1 17 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.532 1.577 19915 4755 1 17 . 1 1 37 37 GLY H H 37 8.297 8.297 7.679 0.618 19915 4756 1 17 . 1 1 38 38 PHE N N 38 121.524 121.524 124.484 -2.960 19915 4757 1 17 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.471 -0.421 19915 4758 1 17 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.705 1.345 19915 4759 1 17 . 1 1 38 38 PHE CB C 38 39.273 39.273 38.975 0.298 19915 4760 1 17 . 1 1 38 38 PHE H H 38 7.972 7.972 8.238 -0.266 19915 4761 1 17 . 1 1 40 40 THR HA H 40 3.776 3.776 3.938 -0.162 19915 4762 1 17 . 1 1 40 40 THR CA C 40 57.432 57.432 60.094 -2.662 19915 4763 1 17 . 1 1 40 40 THR CB C 40 64.914 64.914 71.452 -6.538 19915 4764 1 17 . 1 1 40 40 THR H H 40 7.370 7.370 7.917 -0.547 19915 4765 1 17 . 1 1 41 41 LEU N N 41 119.141 119.141 118.502 0.639 19915 4766 1 17 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.443 -0.010 19915 4767 1 17 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.240 0.381 19915 4768 1 17 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.431 3.243 19915 4769 1 17 . 1 1 41 41 LEU H H 41 5.887 5.887 7.120 -1.233 19915 4770 1 17 . 1 1 42 42 ASN N N 42 119.111 119.111 118.736 0.375 19915 4771 1 17 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.887 0.061 19915 4772 1 17 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.359 1.180 19915 4773 1 17 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.214 2.604 19915 4774 1 17 . 1 1 42 42 ASN H H 42 8.211 8.211 8.368 -0.157 19915 4775 1 17 . 1 1 43 43 GLU N N 43 121.200 121.200 124.902 -3.702 19915 4776 1 17 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.929 -0.370 19915 4777 1 17 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.216 0.932 19915 4778 1 17 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.521 0.601 19915 4779 1 17 . 1 1 43 43 GLU H H 43 8.662 8.662 9.009 -0.347 19915 4780 1 17 . 1 1 44 44 GLY N N 44 114.013 114.013 114.959 -0.946 19915 4781 1 17 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.826 1.215 19915 4782 1 17 . 1 1 44 44 GLY H H 44 9.091 9.091 8.471 0.620 19915 4783 1 17 . 1 1 45 45 GLU N N 45 121.040 121.040 121.148 -0.108 19915 4784 1 17 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.755 -0.583 19915 4785 1 17 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.139 3.213 19915 4786 1 17 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.193 -1.171 19915 4787 1 17 . 1 1 45 45 GLU H H 45 7.760 7.760 7.945 -0.185 19915 4788 1 17 . 1 1 46 46 HIS N N 46 126.336 126.336 119.900 6.436 19915 4789 1 17 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.690 0.323 19915 4790 1 17 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.005 1.527 19915 4791 1 17 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.642 3.049 19915 4792 1 17 . 1 1 46 46 HIS H H 46 8.785 8.785 8.144 0.641 19915 4793 1 17 . 1 1 47 47 VAL N N 47 115.822 115.822 114.828 0.994 19915 4794 1 17 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.875 0.480 19915 4795 1 17 . 1 1 47 47 VAL CA C 47 59.702 59.702 61.027 -1.325 19915 4796 1 17 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.813 1.817 19915 4797 1 17 . 1 1 47 47 VAL H H 47 8.605 8.605 8.888 -0.283 19915 4798 1 17 . 1 1 48 48 GLU N N 48 114.820 114.820 124.815 -9.995 19915 4799 1 17 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.989 -0.348 19915 4800 1 17 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.708 1.986 19915 4801 1 17 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.167 -5.265 19915 4802 1 17 . 1 1 48 48 GLU H H 48 9.124 9.124 8.384 0.740 19915 4803 1 17 . 1 1 49 49 PHE N N 49 117.334 117.334 123.184 -5.850 19915 4804 1 17 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.552 -0.325 19915 4805 1 17 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.559 2.781 19915 4806 1 17 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.379 -1.249 19915 4807 1 17 . 1 1 49 49 PHE H H 49 8.663 8.663 8.704 -0.041 19915 4808 1 17 . 1 1 50 50 GLU N N 50 110.733 110.733 122.938 -12.205 19915 4809 1 17 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.710 0.352 19915 4810 1 17 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.464 6.516 19915 4811 1 17 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.182 0.018 19915 4812 1 17 . 1 1 50 50 GLU H H 50 8.979 8.979 8.479 0.500 19915 4813 1 17 . 1 1 51 51 VAL N N 51 121.323 121.323 122.705 -1.382 19915 4814 1 17 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.483 0.215 19915 4815 1 17 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.858 -0.765 19915 4816 1 17 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.966 7.676 19915 4817 1 17 . 1 1 51 51 VAL H H 51 8.694 8.694 8.264 0.430 19915 4818 1 17 . 1 1 52 52 GLU N N 52 127.810 127.810 128.274 -0.464 19915 4819 1 17 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.737 -0.059 19915 4820 1 17 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.914 1.968 19915 4821 1 17 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.936 0.424 19915 4822 1 17 . 1 1 52 52 GLU H H 52 9.189 9.189 8.259 0.930 19915 4823 1 17 . 1 1 54 54 GLY H H 54 9.310 9.310 8.564 0.746 19915 4824 1 17 . 1 1 55 55 ARG N N 55 118.520 118.520 119.948 -1.428 19915 4825 1 17 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.536 -0.016 19915 4826 1 17 . 1 1 55 55 ARG CA C 55 58.981 58.981 56.017 2.965 19915 4827 1 17 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.810 1.434 19915 4828 1 17 . 1 1 55 55 ARG H H 55 8.772 8.772 7.874 0.898 19915 4829 1 17 . 1 1 56 56 GLY N N 56 112.512 112.512 107.822 4.690 19915 4830 1 17 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.903 0.388 19915 4831 1 17 . 1 1 56 56 GLY H H 56 7.742 7.742 7.669 0.073 19915 4832 1 17 . 1 1 57 57 GLY N N 57 123.924 123.924 109.312 14.612 19915 4833 1 17 . 1 1 57 57 GLY CA C 57 45.523 45.523 46.842 -1.319 19915 4834 1 17 . 1 1 57 57 GLY H H 57 8.634 8.634 8.418 0.216 19915 4835 1 17 . 1 1 58 58 LYS N N 58 115.021 115.021 119.103 -4.082 19915 4836 1 17 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.386 -0.048 19915 4837 1 17 . 1 1 58 58 LYS CA C 58 56.073 56.073 57.036 -0.963 19915 4838 1 17 . 1 1 58 58 LYS CB C 58 32.932 32.932 34.768 -1.836 19915 4839 1 17 . 1 1 58 58 LYS H H 58 8.417 8.417 8.145 0.272 19915 4840 1 17 . 1 1 59 59 GLY N N 59 108.720 108.720 107.467 1.253 19915 4841 1 17 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.209 -0.117 19915 4842 1 17 . 1 1 59 59 GLY H H 59 7.423 7.423 7.725 -0.302 19915 4843 1 17 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.971 -0.100 19915 4844 1 17 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.680 0.508 19915 4845 1 17 . 1 1 60 60 PRO CB C 60 32.890 32.890 30.918 1.972 19915 4846 1 17 . 1 1 61 61 GLN N N 61 125.701 125.701 123.098 2.603 19915 4847 1 17 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.150 0.030 19915 4848 1 17 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.079 -1.207 19915 4849 1 17 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.090 -8.837 19915 4850 1 17 . 1 1 61 61 GLN H H 61 8.794 8.794 8.109 0.685 19915 4851 1 17 . 1 1 62 62 ALA N N 62 122.421 122.421 122.161 0.260 19915 4852 1 17 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.519 0.530 19915 4853 1 17 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.618 0.323 19915 4854 1 17 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.525 3.395 19915 4855 1 17 . 1 1 62 62 ALA H H 62 8.898 8.898 8.534 0.364 19915 4856 1 17 . 1 1 63 63 LYS N N 63 109.000 109.000 120.412 -11.412 19915 4857 1 17 . 1 1 63 63 LYS HA H 63 4.612 4.612 4.022 0.590 19915 4858 1 17 . 1 1 63 63 LYS CA C 63 54.221 54.221 59.035 -4.814 19915 4859 1 17 . 1 1 63 63 LYS H H 63 9.279 9.279 8.128 1.151 19915 4860 1 17 . 1 1 64 64 LYS N N 64 116.512 116.512 119.169 -2.657 19915 4861 1 17 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.437 -0.308 19915 4862 1 17 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.275 -0.004 19915 4863 1 17 . 1 1 64 64 LYS CB C 64 38.800 38.800 34.112 4.688 19915 4864 1 17 . 1 1 64 64 LYS H H 64 9.248 9.248 7.538 1.710 19915 4865 1 17 . 1 1 65 65 VAL N N 65 118.120 118.120 125.670 -7.550 19915 4866 1 17 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.202 -0.554 19915 4867 1 17 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.065 4.166 19915 4868 1 17 . 1 1 65 65 VAL CB C 65 32.272 32.272 34.811 -2.539 19915 4869 1 17 . 1 1 65 65 VAL H H 65 8.162 8.162 8.220 -0.058 19915 4870 1 17 . 1 1 66 66 ARG N N 66 120.932 120.932 124.808 -3.876 19915 4871 1 17 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.817 -0.054 19915 4872 1 17 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.456 6.937 19915 4873 1 17 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.860 -2.348 19915 4874 1 17 . 1 1 66 66 ARG H H 66 9.023 9.023 9.015 0.008 19915 4875 1 17 . 1 1 67 67 ARG N N 67 119.710 119.710 124.713 -5.003 19915 4876 1 17 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.208 0.419 19915 4877 1 17 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.986 3.405 19915 4878 1 17 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.694 3.839 19915 4879 1 17 . 1 1 67 67 ARG H H 67 8.798 8.798 8.687 0.111 19915 4880 1 18 . 1 1 2 2 LYS N N 2 123.000 123.000 121.074 1.926 19915 4881 1 18 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.529 0.053 19915 4882 1 18 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.815 0.580 19915 4883 1 18 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.862 -1.152 19915 4884 1 18 . 1 1 2 2 LYS H H 2 8.628 8.628 8.063 0.565 19915 4885 1 18 . 1 1 3 3 LYS N N 3 107.200 107.200 119.697 -12.497 19915 4886 1 18 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.549 0.894 19915 4887 1 18 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.108 5.606 19915 4888 1 18 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.712 -3.312 19915 4889 1 18 . 1 1 3 3 LYS H H 3 7.657 7.657 8.462 -0.805 19915 4890 1 18 . 1 1 4 4 GLY N N 4 108.916 108.916 110.517 -1.601 19915 4891 1 18 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.698 1.387 19915 4892 1 18 . 1 1 4 4 GLY H H 4 8.951 8.951 8.736 0.215 19915 4893 1 18 . 1 1 5 5 THR N N 5 119.459 119.459 114.392 5.067 19915 4894 1 18 . 1 1 5 5 THR HA H 5 5.063 5.063 4.901 0.162 19915 4895 1 18 . 1 1 5 5 THR CA C 5 59.310 59.310 60.651 -1.341 19915 4896 1 18 . 1 1 5 5 THR CB C 5 72.727 72.727 70.035 2.692 19915 4897 1 18 . 1 1 5 5 THR H H 5 8.199 8.199 8.131 0.068 19915 4898 1 18 . 1 1 6 6 VAL N N 6 126.647 126.647 122.912 3.735 19915 4899 1 18 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.935 -0.405 19915 4900 1 18 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.728 3.962 19915 4901 1 18 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.250 -0.962 19915 4902 1 18 . 1 1 6 6 VAL H H 6 8.818 8.818 8.367 0.451 19915 4903 1 18 . 1 1 7 7 LYS N N 7 104.469 104.469 129.617 -25.148 19915 4904 1 18 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.472 -0.321 19915 4905 1 18 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.715 3.042 19915 4906 1 18 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.708 0.269 19915 4907 1 18 . 1 1 7 7 LYS H H 7 9.139 9.139 8.143 0.996 19915 4908 1 18 . 1 1 8 8 TRP N N 8 110.745 110.745 116.521 -5.776 19915 4909 1 18 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.790 -0.210 19915 4910 1 18 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.819 0.410 19915 4911 1 18 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.779 1.804 19915 4912 1 18 . 1 1 8 8 TRP H H 8 7.427 7.427 7.263 0.164 19915 4913 1 18 . 1 1 9 9 PHE N N 9 120.922 120.922 125.449 -4.527 19915 4914 1 18 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.886 -0.737 19915 4915 1 18 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.876 3.505 19915 4916 1 18 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.027 1.906 19915 4917 1 18 . 1 1 9 9 PHE H H 9 9.247 9.247 8.776 0.471 19915 4918 1 18 . 1 1 10 10 ASN N N 10 127.119 127.119 125.903 1.216 19915 4919 1 18 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.648 0.301 19915 4920 1 18 . 1 1 10 10 ASN CA C 10 52.520 52.520 53.199 -0.679 19915 4921 1 18 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.697 0.293 19915 4922 1 18 . 1 1 10 10 ASN H H 10 8.171 8.171 8.351 -0.180 19915 4923 1 18 . 1 1 11 11 ALA N N 11 128.949 128.949 128.006 0.943 19915 4924 1 18 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.849 0.387 19915 4925 1 18 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.029 1.447 19915 4926 1 18 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.709 0.731 19915 4927 1 18 . 1 1 11 11 ALA H H 11 9.105 9.105 8.478 0.627 19915 4928 1 18 . 1 1 12 12 GLU N N 12 117.291 117.291 118.580 -1.289 19915 4929 1 18 . 1 1 12 12 GLU HA H 12 4.474 4.474 3.952 0.522 19915 4930 1 18 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.448 -0.724 19915 4931 1 18 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.151 2.325 19915 4932 1 18 . 1 1 12 12 GLU H H 12 8.023 8.023 8.188 -0.165 19915 4933 1 18 . 1 1 13 13 LYS N N 13 116.096 116.096 115.893 0.203 19915 4934 1 18 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.041 0.236 19915 4935 1 18 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.189 1.096 19915 4936 1 18 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.206 1.287 19915 4937 1 18 . 1 1 13 13 LYS H H 13 7.437 7.437 8.213 -0.776 19915 4938 1 18 . 1 1 14 14 GLY N N 14 107.751 107.751 106.172 1.579 19915 4939 1 18 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.590 2.649 19915 4940 1 18 . 1 1 14 14 GLY H H 14 8.185 8.185 7.328 0.857 19915 4941 1 18 . 1 1 15 15 TYR N N 15 112.589 112.589 118.789 -6.200 19915 4942 1 18 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.465 -0.529 19915 4943 1 18 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.065 0.955 19915 4944 1 18 . 1 1 15 15 TYR CB C 15 43.074 43.074 41.548 1.526 19915 4945 1 18 . 1 1 15 15 TYR H H 15 6.666 6.666 7.435 -0.769 19915 4946 1 18 . 1 1 16 16 GLY N N 16 105.623 105.623 105.727 -0.104 19915 4947 1 18 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.435 0.524 19915 4948 1 18 . 1 1 16 16 GLY H H 16 8.022 8.022 8.653 -0.631 19915 4949 1 18 . 1 1 17 17 PHE N N 17 115.128 115.128 116.904 -1.776 19915 4950 1 18 . 1 1 17 17 PHE HA H 17 5.039 5.039 4.995 0.044 19915 4951 1 18 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.481 1.028 19915 4952 1 18 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.768 3.516 19915 4953 1 18 . 1 1 17 17 PHE H H 17 7.810 7.810 7.918 -0.108 19915 4954 1 18 . 1 1 18 18 ILE N N 18 121.714 121.714 121.772 -0.058 19915 4955 1 18 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.033 0.101 19915 4956 1 18 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.812 -0.358 19915 4957 1 18 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.063 3.758 19915 4958 1 18 . 1 1 18 18 ILE H H 18 9.407 9.407 7.997 1.410 19915 4959 1 18 . 1 1 19 19 GLN N N 19 126.901 126.901 124.168 2.733 19915 4960 1 18 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.744 -0.589 19915 4961 1 18 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.743 6.550 19915 4962 1 18 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.301 1.089 19915 4963 1 18 . 1 1 19 19 GLN H H 19 9.353 9.353 8.246 1.107 19915 4964 1 18 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.394 0.323 19915 4965 1 18 . 1 1 21 21 GLU N N 21 123.394 123.394 118.836 4.558 19915 4966 1 18 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.121 0.508 19915 4967 1 18 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.959 -1.489 19915 4968 1 18 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.483 1.897 19915 4969 1 18 . 1 1 21 21 GLU H H 21 9.202 9.202 8.784 0.418 19915 4970 1 18 . 1 1 22 22 GLU N N 22 117.042 117.042 118.176 -1.134 19915 4971 1 18 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.388 0.156 19915 4972 1 18 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.857 -1.146 19915 4973 1 18 . 1 1 22 22 GLU H H 22 7.989 7.989 8.236 -0.247 19915 4974 1 18 . 1 1 23 23 GLY N N 23 107.576 107.576 111.277 -3.701 19915 4975 1 18 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.092 1.593 19915 4976 1 18 . 1 1 23 23 GLY H H 23 7.672 7.672 8.055 -0.383 19915 4977 1 18 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.379 -0.245 19915 4978 1 18 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.733 -5.879 19915 4979 1 18 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.477 1.565 19915 4980 1 18 . 1 1 25 25 ASP N N 25 118.400 118.400 116.211 2.189 19915 4981 1 18 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.622 0.174 19915 4982 1 18 . 1 1 25 25 ASP CA C 25 56.353 56.353 53.886 2.467 19915 4983 1 18 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.728 1.473 19915 4984 1 18 . 1 1 25 25 ASP H H 25 7.974 7.974 8.295 -0.321 19915 4985 1 18 . 1 1 26 26 VAL N N 26 121.011 121.011 120.902 0.109 19915 4986 1 18 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.417 -0.115 19915 4987 1 18 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.435 1.418 19915 4988 1 18 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.526 1.388 19915 4989 1 18 . 1 1 26 26 VAL H H 26 9.319 9.319 8.048 1.271 19915 4990 1 18 . 1 1 27 27 PHE N N 27 130.309 130.309 128.009 2.300 19915 4991 1 18 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.213 -0.797 19915 4992 1 18 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.735 3.594 19915 4993 1 18 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.876 0.417 19915 4994 1 18 . 1 1 27 27 PHE H H 27 8.575 8.575 8.410 0.165 19915 4995 1 18 . 1 1 28 28 VAL N N 28 124.445 124.445 121.345 3.100 19915 4996 1 18 . 1 1 28 28 VAL HA H 28 4.365 4.365 5.246 -0.881 19915 4997 1 18 . 1 1 28 28 VAL CA C 28 58.593 58.593 58.878 -0.285 19915 4998 1 18 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.344 -0.442 19915 4999 1 18 . 1 1 28 28 VAL H H 28 7.785 7.785 8.286 -0.501 19915 5000 1 18 . 1 1 29 29 HIS N N 29 127.048 127.048 124.073 2.975 19915 5001 1 18 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.470 -0.885 19915 5002 1 18 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.137 2.354 19915 5003 1 18 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.869 1.062 19915 5004 1 18 . 1 1 29 29 HIS H H 29 8.538 8.538 8.281 0.257 19915 5005 1 18 . 1 1 30 30 PHE N N 30 123.381 123.381 121.187 2.194 19915 5006 1 18 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.737 -0.818 19915 5007 1 18 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.368 0.503 19915 5008 1 18 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.994 -0.682 19915 5009 1 18 . 1 1 30 30 PHE H H 30 8.331 8.331 9.542 -1.211 19915 5010 1 18 . 1 1 31 31 THR N N 31 117.402 117.402 112.219 5.183 19915 5011 1 18 . 1 1 31 31 THR HA H 31 3.656 3.656 3.838 -0.182 19915 5012 1 18 . 1 1 31 31 THR CA C 31 60.891 60.891 60.777 0.114 19915 5013 1 18 . 1 1 31 31 THR CB C 31 63.467 63.467 67.476 -4.009 19915 5014 1 18 . 1 1 31 31 THR H H 31 7.606 7.606 8.161 -0.555 19915 5015 1 18 . 1 1 32 32 ALA N N 32 124.423 124.423 122.273 2.150 19915 5016 1 18 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.653 -0.262 19915 5017 1 18 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.146 2.324 19915 5018 1 18 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.907 0.813 19915 5019 1 18 . 1 1 32 32 ALA H H 32 8.045 8.045 7.850 0.195 19915 5020 1 18 . 1 1 33 33 ILE N N 33 119.413 119.413 119.927 -0.514 19915 5021 1 18 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.079 -0.197 19915 5022 1 18 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.537 2.093 19915 5023 1 18 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.334 0.457 19915 5024 1 18 . 1 1 33 33 ILE H H 33 7.471 7.471 7.304 0.167 19915 5025 1 18 . 1 1 34 34 GLU N N 34 127.220 127.220 128.532 -1.312 19915 5026 1 18 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.539 -0.233 19915 5027 1 18 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.255 1.036 19915 5028 1 18 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.423 0.487 19915 5029 1 18 . 1 1 34 34 GLU H H 34 8.973 8.973 8.311 0.662 19915 5030 1 18 . 1 1 35 35 ALA N N 35 119.122 119.122 124.750 -5.628 19915 5031 1 18 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.524 0.098 19915 5032 1 18 . 1 1 35 35 ALA CA C 35 54.150 54.150 50.815 3.335 19915 5033 1 18 . 1 1 35 35 ALA CB C 35 19.827 19.827 20.615 -0.788 19915 5034 1 18 . 1 1 35 35 ALA H H 35 7.557 7.557 7.739 -0.182 19915 5035 1 18 . 1 1 36 36 ASP N N 36 121.814 121.814 121.667 0.147 19915 5036 1 18 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.685 -0.110 19915 5037 1 18 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.331 1.651 19915 5038 1 18 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.501 2.190 19915 5039 1 18 . 1 1 36 36 ASP H H 36 8.582 8.582 8.643 -0.061 19915 5040 1 18 . 1 1 37 37 GLY N N 37 109.101 109.101 110.286 -1.185 19915 5041 1 18 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.561 1.547 19915 5042 1 18 . 1 1 37 37 GLY H H 37 8.297 8.297 7.745 0.552 19915 5043 1 18 . 1 1 38 38 PHE N N 38 121.524 121.524 125.608 -4.084 19915 5044 1 18 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.497 -0.447 19915 5045 1 18 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.834 1.216 19915 5046 1 18 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.294 -0.021 19915 5047 1 18 . 1 1 38 38 PHE H H 38 7.972 7.972 8.553 -0.581 19915 5048 1 18 . 1 1 40 40 THR HA H 40 3.776 3.776 4.253 -0.477 19915 5049 1 18 . 1 1 40 40 THR CA C 40 57.432 57.432 61.513 -4.081 19915 5050 1 18 . 1 1 40 40 THR CB C 40 64.914 64.914 69.850 -4.936 19915 5051 1 18 . 1 1 40 40 THR H H 40 7.370 7.370 8.173 -0.803 19915 5052 1 18 . 1 1 41 41 LEU N N 41 119.141 119.141 125.667 -6.526 19915 5053 1 18 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.475 -0.042 19915 5054 1 18 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.310 0.311 19915 5055 1 18 . 1 1 41 41 LEU CB C 41 46.674 46.674 44.169 2.505 19915 5056 1 18 . 1 1 41 41 LEU H H 41 5.887 5.887 8.026 -2.139 19915 5057 1 18 . 1 1 42 42 ASN N N 42 119.111 119.111 120.993 -1.882 19915 5058 1 18 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.982 -0.034 19915 5059 1 18 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.316 1.222 19915 5060 1 18 . 1 1 42 42 ASN CB C 42 43.818 43.818 41.327 2.491 19915 5061 1 18 . 1 1 42 42 ASN H H 42 8.211 8.211 8.485 -0.274 19915 5062 1 18 . 1 1 43 43 GLU N N 43 121.200 121.200 125.249 -4.049 19915 5063 1 18 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.985 -0.426 19915 5064 1 18 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.103 1.045 19915 5065 1 18 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.558 0.564 19915 5066 1 18 . 1 1 43 43 GLU H H 43 8.662 8.662 9.074 -0.412 19915 5067 1 18 . 1 1 44 44 GLY N N 44 114.013 114.013 115.909 -1.896 19915 5068 1 18 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.705 1.336 19915 5069 1 18 . 1 1 44 44 GLY H H 44 9.091 9.091 8.623 0.468 19915 5070 1 18 . 1 1 45 45 GLU N N 45 121.040 121.040 120.774 0.266 19915 5071 1 18 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.576 -0.404 19915 5072 1 18 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.463 2.890 19915 5073 1 18 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.007 -0.985 19915 5074 1 18 . 1 1 45 45 GLU H H 45 7.760 7.760 7.869 -0.109 19915 5075 1 18 . 1 1 46 46 HIS N N 46 126.336 126.336 121.426 4.910 19915 5076 1 18 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.669 0.344 19915 5077 1 18 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.837 0.695 19915 5078 1 18 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.562 3.129 19915 5079 1 18 . 1 1 46 46 HIS H H 46 8.785 8.785 8.115 0.670 19915 5080 1 18 . 1 1 47 47 VAL N N 47 115.822 115.822 114.391 1.431 19915 5081 1 18 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.949 0.406 19915 5082 1 18 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.572 -0.870 19915 5083 1 18 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.572 2.058 19915 5084 1 18 . 1 1 47 47 VAL H H 47 8.605 8.605 8.831 -0.226 19915 5085 1 18 . 1 1 48 48 GLU N N 48 114.820 114.820 125.231 -10.411 19915 5086 1 18 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.909 -0.268 19915 5087 1 18 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.760 1.934 19915 5088 1 18 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.188 -5.286 19915 5089 1 18 . 1 1 48 48 GLU H H 48 9.124 9.124 8.404 0.720 19915 5090 1 18 . 1 1 49 49 PHE N N 49 117.334 117.334 123.174 -5.840 19915 5091 1 18 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.551 -0.324 19915 5092 1 18 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.626 2.714 19915 5093 1 18 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.523 -1.393 19915 5094 1 18 . 1 1 49 49 PHE H H 49 8.663 8.663 8.713 -0.050 19915 5095 1 18 . 1 1 50 50 GLU N N 50 110.733 110.733 122.858 -12.125 19915 5096 1 18 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.642 0.420 19915 5097 1 18 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.223 6.757 19915 5098 1 18 . 1 1 50 50 GLU CB C 50 31.200 31.200 31.100 0.100 19915 5099 1 18 . 1 1 50 50 GLU H H 50 8.979 8.979 8.540 0.439 19915 5100 1 18 . 1 1 51 51 VAL N N 51 121.323 121.323 121.224 0.099 19915 5101 1 18 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.673 0.025 19915 5102 1 18 . 1 1 51 51 VAL CA C 51 62.093 62.093 61.948 0.145 19915 5103 1 18 . 1 1 51 51 VAL CB C 51 39.642 39.642 31.852 7.790 19915 5104 1 18 . 1 1 51 51 VAL H H 51 8.694 8.694 8.408 0.286 19915 5105 1 18 . 1 1 52 52 GLU N N 52 127.810 127.810 128.222 -0.412 19915 5106 1 18 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.826 -0.148 19915 5107 1 18 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.935 1.947 19915 5108 1 18 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.046 0.315 19915 5109 1 18 . 1 1 52 52 GLU H H 52 9.189 9.189 8.225 0.964 19915 5110 1 18 . 1 1 54 54 GLY H H 54 9.310 9.310 8.760 0.550 19915 5111 1 18 . 1 1 55 55 ARG N N 55 118.520 118.520 120.815 -2.295 19915 5112 1 18 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.465 0.055 19915 5113 1 18 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.603 3.378 19915 5114 1 18 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.730 1.514 19915 5115 1 18 . 1 1 55 55 ARG H H 55 8.772 8.772 8.149 0.623 19915 5116 1 18 . 1 1 56 56 GLY N N 56 112.512 112.512 107.169 5.343 19915 5117 1 18 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.175 1.115 19915 5118 1 18 . 1 1 56 56 GLY H H 56 7.742 7.742 7.629 0.113 19915 5119 1 18 . 1 1 57 57 GLY N N 57 123.924 123.924 109.507 14.417 19915 5120 1 18 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.113 -1.590 19915 5121 1 18 . 1 1 57 57 GLY H H 57 8.634 8.634 8.344 0.290 19915 5122 1 18 . 1 1 58 58 LYS N N 58 115.021 115.021 119.617 -4.596 19915 5123 1 18 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.576 -0.238 19915 5124 1 18 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.288 -0.215 19915 5125 1 18 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.667 -0.735 19915 5126 1 18 . 1 1 58 58 LYS H H 58 8.417 8.417 8.097 0.320 19915 5127 1 18 . 1 1 59 59 GLY N N 59 108.720 108.720 106.979 1.741 19915 5128 1 18 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.350 -0.258 19915 5129 1 18 . 1 1 59 59 GLY H H 59 7.423 7.423 7.835 -0.412 19915 5130 1 18 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.976 -0.105 19915 5131 1 18 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.473 0.715 19915 5132 1 18 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.383 1.507 19915 5133 1 18 . 1 1 61 61 GLN N N 61 125.701 125.701 125.737 -0.036 19915 5134 1 18 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.178 0.002 19915 5135 1 18 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.333 -1.461 19915 5136 1 18 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.395 -9.142 19915 5137 1 18 . 1 1 61 61 GLN H H 61 8.794 8.794 8.061 0.733 19915 5138 1 18 . 1 1 62 62 ALA N N 62 122.421 122.421 127.670 -5.249 19915 5139 1 18 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.450 0.599 19915 5140 1 18 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.909 0.032 19915 5141 1 18 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.274 3.646 19915 5142 1 18 . 1 1 62 62 ALA H H 62 8.898 8.898 8.727 0.171 19915 5143 1 18 . 1 1 63 63 LYS N N 63 109.000 109.000 119.259 -10.259 19915 5144 1 18 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.943 0.669 19915 5145 1 18 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.586 -4.365 19915 5146 1 18 . 1 1 63 63 LYS H H 63 9.279 9.279 8.127 1.152 19915 5147 1 18 . 1 1 64 64 LYS N N 64 116.512 116.512 119.080 -2.568 19915 5148 1 18 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.443 -0.314 19915 5149 1 18 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.369 -0.098 19915 5150 1 18 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.780 5.020 19915 5151 1 18 . 1 1 64 64 LYS H H 64 9.248 9.248 7.454 1.794 19915 5152 1 18 . 1 1 65 65 VAL N N 65 118.120 118.120 126.017 -7.897 19915 5153 1 18 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.156 -0.508 19915 5154 1 18 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.003 4.228 19915 5155 1 18 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.318 -3.046 19915 5156 1 18 . 1 1 65 65 VAL H H 65 8.162 8.162 8.054 0.108 19915 5157 1 18 . 1 1 66 66 ARG N N 66 120.932 120.932 124.347 -3.415 19915 5158 1 18 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.863 -0.100 19915 5159 1 18 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.642 6.751 19915 5160 1 18 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.748 -2.236 19915 5161 1 18 . 1 1 66 66 ARG H H 66 9.023 9.023 9.052 -0.029 19915 5162 1 18 . 1 1 67 67 ARG N N 67 119.710 119.710 123.525 -3.815 19915 5163 1 18 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.271 0.356 19915 5164 1 18 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.532 3.859 19915 5165 1 18 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.494 4.039 19915 5166 1 18 . 1 1 67 67 ARG H H 67 8.798 8.798 8.712 0.086 19915 5167 1 19 . 1 1 2 2 LYS N N 2 123.000 123.000 122.955 0.045 19915 5168 1 19 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.523 0.059 19915 5169 1 19 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.448 0.947 19915 5170 1 19 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.705 -0.995 19915 5171 1 19 . 1 1 2 2 LYS H H 2 8.628 8.628 8.531 0.097 19915 5172 1 19 . 1 1 3 3 LYS N N 3 107.200 107.200 119.626 -12.426 19915 5173 1 19 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.493 0.950 19915 5174 1 19 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.077 5.637 19915 5175 1 19 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.922 -3.522 19915 5176 1 19 . 1 1 3 3 LYS H H 3 7.657 7.657 8.372 -0.715 19915 5177 1 19 . 1 1 4 4 GLY N N 4 108.916 108.916 110.144 -1.228 19915 5178 1 19 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.688 1.397 19915 5179 1 19 . 1 1 4 4 GLY H H 4 8.951 8.951 8.707 0.244 19915 5180 1 19 . 1 1 5 5 THR N N 5 119.459 119.459 113.975 5.484 19915 5181 1 19 . 1 1 5 5 THR HA H 5 5.063 5.063 4.938 0.125 19915 5182 1 19 . 1 1 5 5 THR CA C 5 59.310 59.310 60.785 -1.475 19915 5183 1 19 . 1 1 5 5 THR CB C 5 72.727 72.727 69.991 2.736 19915 5184 1 19 . 1 1 5 5 THR H H 5 8.199 8.199 8.138 0.061 19915 5185 1 19 . 1 1 6 6 VAL N N 6 126.647 126.647 123.037 3.610 19915 5186 1 19 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.889 -0.358 19915 5187 1 19 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.871 3.819 19915 5188 1 19 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.103 -0.815 19915 5189 1 19 . 1 1 6 6 VAL H H 6 8.818 8.818 8.483 0.335 19915 5190 1 19 . 1 1 7 7 LYS N N 7 104.469 104.469 129.497 -25.028 19915 5191 1 19 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.382 -0.231 19915 5192 1 19 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.801 2.956 19915 5193 1 19 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.307 0.670 19915 5194 1 19 . 1 1 7 7 LYS H H 7 9.139 9.139 8.037 1.102 19915 5195 1 19 . 1 1 8 8 TRP N N 8 110.745 110.745 115.606 -4.861 19915 5196 1 19 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.772 -0.192 19915 5197 1 19 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.645 0.584 19915 5198 1 19 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.612 1.971 19915 5199 1 19 . 1 1 8 8 TRP H H 8 7.427 7.427 7.315 0.112 19915 5200 1 19 . 1 1 9 9 PHE N N 9 120.922 120.922 124.374 -3.452 19915 5201 1 19 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.886 -0.737 19915 5202 1 19 . 1 1 9 9 PHE CA C 9 60.381 60.381 57.184 3.197 19915 5203 1 19 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.436 1.497 19915 5204 1 19 . 1 1 9 9 PHE H H 9 9.247 9.247 8.530 0.717 19915 5205 1 19 . 1 1 10 10 ASN N N 10 127.119 127.119 126.252 0.867 19915 5206 1 19 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.692 0.257 19915 5207 1 19 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.828 -0.308 19915 5208 1 19 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.921 1.069 19915 5209 1 19 . 1 1 10 10 ASN H H 10 8.171 8.171 8.296 -0.125 19915 5210 1 19 . 1 1 11 11 ALA N N 11 128.949 128.949 128.556 0.393 19915 5211 1 19 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.177 0.059 19915 5212 1 19 . 1 1 11 11 ALA CA C 11 55.476 55.476 54.146 1.330 19915 5213 1 19 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.971 0.469 19915 5214 1 19 . 1 1 11 11 ALA H H 11 9.105 9.105 8.591 0.514 19915 5215 1 19 . 1 1 12 12 GLU N N 12 117.291 117.291 118.441 -1.150 19915 5216 1 19 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.019 0.455 19915 5217 1 19 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.498 -0.774 19915 5218 1 19 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.472 2.005 19915 5219 1 19 . 1 1 12 12 GLU H H 12 8.023 8.023 8.220 -0.197 19915 5220 1 19 . 1 1 13 13 LYS N N 13 116.096 116.096 116.008 0.088 19915 5221 1 19 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.054 0.223 19915 5222 1 19 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.300 0.985 19915 5223 1 19 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.367 1.126 19915 5224 1 19 . 1 1 13 13 LYS H H 13 7.437 7.437 8.340 -0.903 19915 5225 1 19 . 1 1 14 14 GLY N N 14 107.751 107.751 106.212 1.539 19915 5226 1 19 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.665 2.574 19915 5227 1 19 . 1 1 14 14 GLY H H 14 8.185 8.185 7.607 0.578 19915 5228 1 19 . 1 1 15 15 TYR N N 15 112.589 112.589 119.028 -6.439 19915 5229 1 19 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.448 -0.512 19915 5230 1 19 . 1 1 15 15 TYR CA C 15 56.020 56.020 54.684 1.336 19915 5231 1 19 . 1 1 15 15 TYR CB C 15 43.074 43.074 41.375 1.699 19915 5232 1 19 . 1 1 15 15 TYR H H 15 6.666 6.666 7.411 -0.745 19915 5233 1 19 . 1 1 16 16 GLY N N 16 105.623 105.623 105.561 0.062 19915 5234 1 19 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.485 0.474 19915 5235 1 19 . 1 1 16 16 GLY H H 16 8.022 8.022 8.649 -0.627 19915 5236 1 19 . 1 1 17 17 PHE N N 17 115.128 115.128 117.544 -2.416 19915 5237 1 19 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.162 -0.123 19915 5238 1 19 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.694 0.815 19915 5239 1 19 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.998 3.286 19915 5240 1 19 . 1 1 17 17 PHE H H 17 7.810 7.810 8.351 -0.541 19915 5241 1 19 . 1 1 18 18 ILE N N 18 121.714 121.714 122.054 -0.340 19915 5242 1 19 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.012 0.122 19915 5243 1 19 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.707 -0.253 19915 5244 1 19 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.046 3.775 19915 5245 1 19 . 1 1 18 18 ILE H H 18 9.407 9.407 8.036 1.371 19915 5246 1 19 . 1 1 19 19 GLN N N 19 126.901 126.901 123.564 3.337 19915 5247 1 19 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.685 -0.530 19915 5248 1 19 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.730 6.563 19915 5249 1 19 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.463 0.927 19915 5250 1 19 . 1 1 19 19 GLN H H 19 9.353 9.353 8.104 1.249 19915 5251 1 19 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.422 0.295 19915 5252 1 19 . 1 1 21 21 GLU N N 21 123.394 123.394 118.869 4.525 19915 5253 1 19 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.111 0.518 19915 5254 1 19 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.969 -1.499 19915 5255 1 19 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.467 1.913 19915 5256 1 19 . 1 1 21 21 GLU H H 21 9.202 9.202 8.778 0.424 19915 5257 1 19 . 1 1 22 22 GLU N N 22 117.042 117.042 118.109 -1.067 19915 5258 1 19 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.384 0.160 19915 5259 1 19 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.818 -1.107 19915 5260 1 19 . 1 1 22 22 GLU H H 22 7.989 7.989 8.237 -0.248 19915 5261 1 19 . 1 1 23 23 GLY N N 23 107.576 107.576 111.306 -3.730 19915 5262 1 19 . 1 1 23 23 GLY CA C 23 46.685 46.685 45.109 1.576 19915 5263 1 19 . 1 1 23 23 GLY H H 23 7.672 7.672 8.054 -0.382 19915 5264 1 19 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.356 -0.222 19915 5265 1 19 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.602 -5.748 19915 5266 1 19 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.813 1.228 19915 5267 1 19 . 1 1 25 25 ASP N N 25 118.400 118.400 118.643 -0.243 19915 5268 1 19 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.631 0.165 19915 5269 1 19 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.503 1.850 19915 5270 1 19 . 1 1 25 25 ASP CB C 25 42.201 42.201 41.441 0.760 19915 5271 1 19 . 1 1 25 25 ASP H H 25 7.974 7.974 8.311 -0.337 19915 5272 1 19 . 1 1 26 26 VAL N N 26 121.011 121.011 123.456 -2.445 19915 5273 1 19 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.518 -0.216 19915 5274 1 19 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.530 1.323 19915 5275 1 19 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.456 1.458 19915 5276 1 19 . 1 1 26 26 VAL H H 26 9.319 9.319 8.078 1.241 19915 5277 1 19 . 1 1 27 27 PHE N N 27 130.309 130.309 127.723 2.586 19915 5278 1 19 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.192 -0.776 19915 5279 1 19 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.611 3.718 19915 5280 1 19 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.507 0.786 19915 5281 1 19 . 1 1 27 27 PHE H H 27 8.575 8.575 8.369 0.206 19915 5282 1 19 . 1 1 28 28 VAL N N 28 124.445 124.445 123.984 0.461 19915 5283 1 19 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.772 -0.407 19915 5284 1 19 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.265 -0.672 19915 5285 1 19 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.769 -0.867 19915 5286 1 19 . 1 1 28 28 VAL H H 28 7.785 7.785 8.447 -0.662 19915 5287 1 19 . 1 1 29 29 HIS N N 29 127.048 127.048 123.393 3.655 19915 5288 1 19 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.414 -0.829 19915 5289 1 19 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.176 2.315 19915 5290 1 19 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.689 1.242 19915 5291 1 19 . 1 1 29 29 HIS H H 29 8.538 8.538 8.300 0.238 19915 5292 1 19 . 1 1 30 30 PHE N N 30 123.381 123.381 121.143 2.238 19915 5293 1 19 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.706 -0.787 19915 5294 1 19 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.586 0.285 19915 5295 1 19 . 1 1 30 30 PHE CB C 30 38.312 38.312 39.052 -0.740 19915 5296 1 19 . 1 1 30 30 PHE H H 30 8.331 8.331 9.650 -1.319 19915 5297 1 19 . 1 1 31 31 THR N N 31 117.402 117.402 112.433 4.969 19915 5298 1 19 . 1 1 31 31 THR HA H 31 3.656 3.656 3.953 -0.297 19915 5299 1 19 . 1 1 31 31 THR CA C 31 60.891 60.891 61.344 -0.453 19915 5300 1 19 . 1 1 31 31 THR CB C 31 63.467 63.467 67.234 -3.767 19915 5301 1 19 . 1 1 31 31 THR H H 31 7.606 7.606 7.872 -0.266 19915 5302 1 19 . 1 1 32 32 ALA N N 32 124.423 124.423 122.406 2.017 19915 5303 1 19 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.596 -0.205 19915 5304 1 19 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.268 2.202 19915 5305 1 19 . 1 1 32 32 ALA CB C 32 21.720 21.720 21.239 0.481 19915 5306 1 19 . 1 1 32 32 ALA H H 32 8.045 8.045 8.036 0.009 19915 5307 1 19 . 1 1 33 33 ILE N N 33 119.413 119.413 120.220 -0.807 19915 5308 1 19 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.117 -0.235 19915 5309 1 19 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.741 1.889 19915 5310 1 19 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.216 0.575 19915 5311 1 19 . 1 1 33 33 ILE H H 33 7.471 7.471 7.367 0.104 19915 5312 1 19 . 1 1 34 34 GLU N N 34 127.220 127.220 128.467 -1.247 19915 5313 1 19 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.656 -0.350 19915 5314 1 19 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.214 1.077 19915 5315 1 19 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.298 0.612 19915 5316 1 19 . 1 1 34 34 GLU H H 34 8.973 8.973 8.422 0.551 19915 5317 1 19 . 1 1 35 35 ALA N N 35 119.122 119.122 125.803 -6.681 19915 5318 1 19 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.620 0.002 19915 5319 1 19 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.298 2.852 19915 5320 1 19 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.344 -1.517 19915 5321 1 19 . 1 1 35 35 ALA H H 35 7.557 7.557 8.214 -0.657 19915 5322 1 19 . 1 1 36 36 ASP N N 36 121.814 121.814 121.413 0.401 19915 5323 1 19 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.522 0.053 19915 5324 1 19 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.871 2.111 19915 5325 1 19 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.506 2.185 19915 5326 1 19 . 1 1 36 36 ASP H H 36 8.582 8.582 8.461 0.121 19915 5327 1 19 . 1 1 37 37 GLY N N 37 109.101 109.101 111.633 -2.532 19915 5328 1 19 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.426 1.682 19915 5329 1 19 . 1 1 37 37 GLY H H 37 8.297 8.297 7.910 0.387 19915 5330 1 19 . 1 1 38 38 PHE N N 38 121.524 121.524 119.058 2.466 19915 5331 1 19 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.723 -0.673 19915 5332 1 19 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.538 1.512 19915 5333 1 19 . 1 1 38 38 PHE CB C 38 39.273 39.273 38.919 0.354 19915 5334 1 19 . 1 1 38 38 PHE H H 38 7.972 7.972 8.174 -0.202 19915 5335 1 19 . 1 1 40 40 THR HA H 40 3.776 3.776 4.209 -0.433 19915 5336 1 19 . 1 1 40 40 THR CA C 40 57.432 57.432 61.609 -4.177 19915 5337 1 19 . 1 1 40 40 THR CB C 40 64.914 64.914 70.630 -5.716 19915 5338 1 19 . 1 1 40 40 THR H H 40 7.370 7.370 8.067 -0.697 19915 5339 1 19 . 1 1 41 41 LEU N N 41 119.141 119.141 119.453 -0.312 19915 5340 1 19 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.451 -0.018 19915 5341 1 19 . 1 1 41 41 LEU CA C 41 53.621 53.621 52.975 0.645 19915 5342 1 19 . 1 1 41 41 LEU CB C 41 46.674 46.674 44.187 2.487 19915 5343 1 19 . 1 1 41 41 LEU H H 41 5.887 5.887 7.655 -1.768 19915 5344 1 19 . 1 1 42 42 ASN N N 42 119.111 119.111 119.177 -0.066 19915 5345 1 19 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.921 0.027 19915 5346 1 19 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.318 1.221 19915 5347 1 19 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.611 3.207 19915 5348 1 19 . 1 1 42 42 ASN H H 42 8.211 8.211 8.534 -0.323 19915 5349 1 19 . 1 1 43 43 GLU N N 43 121.200 121.200 125.612 -4.412 19915 5350 1 19 . 1 1 43 43 GLU HA H 43 3.559 3.559 4.049 -0.490 19915 5351 1 19 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.248 0.900 19915 5352 1 19 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.503 0.619 19915 5353 1 19 . 1 1 43 43 GLU H H 43 8.662 8.662 9.047 -0.385 19915 5354 1 19 . 1 1 44 44 GLY N N 44 114.013 114.013 115.819 -1.806 19915 5355 1 19 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.702 1.339 19915 5356 1 19 . 1 1 44 44 GLY H H 44 9.091 9.091 8.618 0.473 19915 5357 1 19 . 1 1 45 45 GLU N N 45 121.040 121.040 120.869 0.171 19915 5358 1 19 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.557 -0.385 19915 5359 1 19 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.694 2.659 19915 5360 1 19 . 1 1 45 45 GLU CB C 45 31.022 31.022 31.866 -0.844 19915 5361 1 19 . 1 1 45 45 GLU H H 45 7.760 7.760 7.823 -0.063 19915 5362 1 19 . 1 1 46 46 HIS N N 46 126.336 126.336 121.256 5.080 19915 5363 1 19 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.650 0.363 19915 5364 1 19 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.865 0.666 19915 5365 1 19 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.429 3.262 19915 5366 1 19 . 1 1 46 46 HIS H H 46 8.785 8.785 8.163 0.622 19915 5367 1 19 . 1 1 47 47 VAL N N 47 115.822 115.822 114.594 1.228 19915 5368 1 19 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.983 0.372 19915 5369 1 19 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.510 -0.808 19915 5370 1 19 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.612 2.018 19915 5371 1 19 . 1 1 47 47 VAL H H 47 8.605 8.605 8.874 -0.269 19915 5372 1 19 . 1 1 48 48 GLU N N 48 114.820 114.820 125.255 -10.435 19915 5373 1 19 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.844 -0.203 19915 5374 1 19 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.925 1.769 19915 5375 1 19 . 1 1 48 48 GLU CB C 48 26.902 26.902 31.961 -5.059 19915 5376 1 19 . 1 1 48 48 GLU H H 48 9.124 9.124 8.391 0.733 19915 5377 1 19 . 1 1 49 49 PHE N N 49 117.334 117.334 123.497 -6.163 19915 5378 1 19 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.692 -0.465 19915 5379 1 19 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.541 2.799 19915 5380 1 19 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.305 -1.175 19915 5381 1 19 . 1 1 49 49 PHE H H 49 8.663 8.663 8.633 0.030 19915 5382 1 19 . 1 1 50 50 GLU N N 50 110.733 110.733 122.594 -11.861 19915 5383 1 19 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.629 0.433 19915 5384 1 19 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.510 6.470 19915 5385 1 19 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.354 0.846 19915 5386 1 19 . 1 1 50 50 GLU H H 50 8.979 8.979 8.601 0.378 19915 5387 1 19 . 1 1 51 51 VAL N N 51 121.323 121.323 120.405 0.918 19915 5388 1 19 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.700 -0.002 19915 5389 1 19 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.642 -0.549 19915 5390 1 19 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.113 7.529 19915 5391 1 19 . 1 1 51 51 VAL H H 51 8.694 8.694 8.399 0.295 19915 5392 1 19 . 1 1 52 52 GLU N N 52 127.810 127.810 128.933 -1.123 19915 5393 1 19 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.954 -0.276 19915 5394 1 19 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.786 2.096 19915 5395 1 19 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.222 0.139 19915 5396 1 19 . 1 1 52 52 GLU H H 52 9.189 9.189 8.316 0.873 19915 5397 1 19 . 1 1 54 54 GLY H H 54 9.310 9.310 8.649 0.661 19915 5398 1 19 . 1 1 55 55 ARG N N 55 118.520 118.520 120.598 -2.078 19915 5399 1 19 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.362 0.158 19915 5400 1 19 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.991 2.990 19915 5401 1 19 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.570 0.674 19915 5402 1 19 . 1 1 55 55 ARG H H 55 8.772 8.772 7.871 0.901 19915 5403 1 19 . 1 1 56 56 GLY N N 56 112.512 112.512 106.953 5.559 19915 5404 1 19 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.215 1.076 19915 5405 1 19 . 1 1 56 56 GLY H H 56 7.742 7.742 7.626 0.116 19915 5406 1 19 . 1 1 57 57 GLY N N 57 123.924 123.924 109.138 14.786 19915 5407 1 19 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.143 -1.620 19915 5408 1 19 . 1 1 57 57 GLY H H 57 8.634 8.634 8.215 0.419 19915 5409 1 19 . 1 1 58 58 LYS N N 58 115.021 115.021 119.379 -4.358 19915 5410 1 19 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.568 -0.230 19915 5411 1 19 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.346 -0.273 19915 5412 1 19 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.776 -0.844 19915 5413 1 19 . 1 1 58 58 LYS H H 58 8.417 8.417 8.169 0.248 19915 5414 1 19 . 1 1 59 59 GLY N N 59 108.720 108.720 106.985 1.735 19915 5415 1 19 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.343 -0.251 19915 5416 1 19 . 1 1 59 59 GLY H H 59 7.423 7.423 7.811 -0.388 19915 5417 1 19 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.927 -0.056 19915 5418 1 19 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.616 0.572 19915 5419 1 19 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.210 1.680 19915 5420 1 19 . 1 1 61 61 GLN N N 61 125.701 125.701 125.354 0.347 19915 5421 1 19 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.035 0.145 19915 5422 1 19 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.385 -1.513 19915 5423 1 19 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.624 -9.371 19915 5424 1 19 . 1 1 61 61 GLN H H 61 8.794 8.794 8.101 0.693 19915 5425 1 19 . 1 1 62 62 ALA N N 62 122.421 122.421 127.132 -4.711 19915 5426 1 19 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.537 0.512 19915 5427 1 19 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.887 0.054 19915 5428 1 19 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.325 3.595 19915 5429 1 19 . 1 1 62 62 ALA H H 62 8.898 8.898 8.651 0.247 19915 5430 1 19 . 1 1 63 63 LYS N N 63 109.000 109.000 120.229 -11.229 19915 5431 1 19 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.986 0.626 19915 5432 1 19 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.455 -4.234 19915 5433 1 19 . 1 1 63 63 LYS H H 63 9.279 9.279 8.075 1.204 19915 5434 1 19 . 1 1 64 64 LYS N N 64 116.512 116.512 117.817 -1.305 19915 5435 1 19 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.565 -0.436 19915 5436 1 19 . 1 1 64 64 LYS CA C 64 55.271 55.271 54.261 1.010 19915 5437 1 19 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.063 5.737 19915 5438 1 19 . 1 1 64 64 LYS H H 64 9.248 9.248 7.378 1.870 19915 5439 1 19 . 1 1 65 65 VAL N N 65 118.120 118.120 124.997 -6.877 19915 5440 1 19 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.264 -0.616 19915 5441 1 19 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.189 4.042 19915 5442 1 19 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.549 -3.277 19915 5443 1 19 . 1 1 65 65 VAL H H 65 8.162 8.162 8.118 0.044 19915 5444 1 19 . 1 1 66 66 ARG N N 66 120.932 120.932 124.647 -3.715 19915 5445 1 19 . 1 1 66 66 ARG HA H 66 4.763 4.763 5.078 -0.315 19915 5446 1 19 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.571 6.822 19915 5447 1 19 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.498 -1.986 19915 5448 1 19 . 1 1 66 66 ARG H H 66 9.023 9.023 9.027 -0.003 19915 5449 1 19 . 1 1 67 67 ARG N N 67 119.710 119.710 123.622 -3.912 19915 5450 1 19 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.253 0.374 19915 5451 1 19 . 1 1 67 67 ARG CA C 67 60.391 60.391 57.143 3.248 19915 5452 1 19 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.811 3.722 19915 5453 1 19 . 1 1 67 67 ARG H H 67 8.798 8.798 8.619 0.179 19915 5454 1 20 . 1 1 2 2 LYS N N 2 123.000 123.000 120.310 2.690 19915 5455 1 20 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.571 0.011 19915 5456 1 20 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.258 1.137 19915 5457 1 20 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.375 -0.665 19915 5458 1 20 . 1 1 2 2 LYS H H 2 8.628 8.628 8.151 0.477 19915 5459 1 20 . 1 1 3 3 LYS N N 3 107.200 107.200 120.247 -13.047 19915 5460 1 20 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.607 0.836 19915 5461 1 20 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.089 5.625 19915 5462 1 20 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.836 -3.436 19915 5463 1 20 . 1 1 3 3 LYS H H 3 7.657 7.657 8.605 -0.948 19915 5464 1 20 . 1 1 4 4 GLY N N 4 108.916 108.916 110.670 -1.754 19915 5465 1 20 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.566 1.519 19915 5466 1 20 . 1 1 4 4 GLY H H 4 8.951 8.951 8.774 0.177 19915 5467 1 20 . 1 1 5 5 THR N N 5 119.459 119.459 114.061 5.398 19915 5468 1 20 . 1 1 5 5 THR HA H 5 5.063 5.063 4.945 0.118 19915 5469 1 20 . 1 1 5 5 THR CA C 5 59.310 59.310 60.892 -1.582 19915 5470 1 20 . 1 1 5 5 THR CB C 5 72.727 72.727 70.058 2.669 19915 5471 1 20 . 1 1 5 5 THR H H 5 8.199 8.199 8.123 0.076 19915 5472 1 20 . 1 1 6 6 VAL N N 6 126.647 126.647 122.466 4.181 19915 5473 1 20 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.986 -0.456 19915 5474 1 20 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.286 4.404 19915 5475 1 20 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.485 -1.197 19915 5476 1 20 . 1 1 6 6 VAL H H 6 8.818 8.818 8.393 0.425 19915 5477 1 20 . 1 1 7 7 LYS N N 7 104.469 104.469 129.672 -25.203 19915 5478 1 20 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.465 -0.314 19915 5479 1 20 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.673 3.084 19915 5480 1 20 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.761 0.215 19915 5481 1 20 . 1 1 7 7 LYS H H 7 9.139 9.139 8.143 0.996 19915 5482 1 20 . 1 1 8 8 TRP N N 8 110.745 110.745 116.358 -5.613 19915 5483 1 20 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.705 -0.125 19915 5484 1 20 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.790 0.439 19915 5485 1 20 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.684 1.899 19915 5486 1 20 . 1 1 8 8 TRP H H 8 7.427 7.427 7.333 0.094 19915 5487 1 20 . 1 1 9 9 PHE N N 9 120.922 120.922 125.813 -4.891 19915 5488 1 20 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.655 -0.506 19915 5489 1 20 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.847 3.534 19915 5490 1 20 . 1 1 9 9 PHE CB C 9 42.933 42.933 40.953 1.980 19915 5491 1 20 . 1 1 9 9 PHE H H 9 9.247 9.247 8.422 0.825 19915 5492 1 20 . 1 1 10 10 ASN N N 10 127.119 127.119 125.266 1.853 19915 5493 1 20 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.528 0.421 19915 5494 1 20 . 1 1 10 10 ASN CA C 10 52.520 52.520 53.021 -0.501 19915 5495 1 20 . 1 1 10 10 ASN CB C 10 39.990 39.990 39.163 0.827 19915 5496 1 20 . 1 1 10 10 ASN H H 10 8.171 8.171 7.915 0.256 19915 5497 1 20 . 1 1 11 11 ALA N N 11 128.949 128.949 128.613 0.336 19915 5498 1 20 . 1 1 11 11 ALA HA H 11 4.236 4.236 4.109 0.127 19915 5499 1 20 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.483 1.993 19915 5500 1 20 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.978 0.462 19915 5501 1 20 . 1 1 11 11 ALA H H 11 9.105 9.105 8.692 0.413 19915 5502 1 20 . 1 1 12 12 GLU N N 12 117.291 117.291 118.251 -0.960 19915 5503 1 20 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.093 0.381 19915 5504 1 20 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.537 -0.813 19915 5505 1 20 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.881 1.596 19915 5506 1 20 . 1 1 12 12 GLU H H 12 8.023 8.023 8.094 -0.071 19915 5507 1 20 . 1 1 13 13 LYS N N 13 116.096 116.096 116.554 -0.458 19915 5508 1 20 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.257 0.020 19915 5509 1 20 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.496 0.789 19915 5510 1 20 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.816 0.677 19915 5511 1 20 . 1 1 13 13 LYS H H 13 7.437 7.437 7.767 -0.330 19915 5512 1 20 . 1 1 14 14 GLY N N 14 107.751 107.751 107.450 0.301 19915 5513 1 20 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.803 2.436 19915 5514 1 20 . 1 1 14 14 GLY H H 14 8.185 8.185 7.818 0.367 19915 5515 1 20 . 1 1 15 15 TYR N N 15 112.589 112.589 117.176 -4.587 19915 5516 1 20 . 1 1 15 15 TYR HA H 15 4.936 4.936 6.007 -1.071 19915 5517 1 20 . 1 1 15 15 TYR CA C 15 56.020 56.020 54.980 1.040 19915 5518 1 20 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.697 2.377 19915 5519 1 20 . 1 1 15 15 TYR H H 15 6.666 6.666 7.886 -1.220 19915 5520 1 20 . 1 1 16 16 GLY N N 16 105.623 105.623 105.881 -0.258 19915 5521 1 20 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.394 0.565 19915 5522 1 20 . 1 1 16 16 GLY H H 16 8.022 8.022 8.727 -0.705 19915 5523 1 20 . 1 1 17 17 PHE N N 17 115.128 115.128 117.601 -2.473 19915 5524 1 20 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.094 -0.055 19915 5525 1 20 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.563 0.946 19915 5526 1 20 . 1 1 17 17 PHE CB C 17 46.284 46.284 43.026 3.258 19915 5527 1 20 . 1 1 17 17 PHE H H 17 7.810 7.810 7.745 0.065 19915 5528 1 20 . 1 1 18 18 ILE N N 18 121.714 121.714 122.624 -0.910 19915 5529 1 20 . 1 1 18 18 ILE HA H 18 4.134 4.134 3.971 0.163 19915 5530 1 20 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.479 -0.025 19915 5531 1 20 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.240 3.581 19915 5532 1 20 . 1 1 18 18 ILE H H 18 9.407 9.407 7.713 1.694 19915 5533 1 20 . 1 1 19 19 GLN N N 19 126.901 126.901 122.264 4.637 19915 5534 1 20 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.682 -0.527 19915 5535 1 20 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.329 6.964 19915 5536 1 20 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.211 1.179 19915 5537 1 20 . 1 1 19 19 GLN H H 19 9.353 9.353 8.217 1.136 19915 5538 1 20 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.617 0.100 19915 5539 1 20 . 1 1 21 21 GLU N N 21 123.394 123.394 121.138 2.256 19915 5540 1 20 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.328 0.301 19915 5541 1 20 . 1 1 21 21 GLU CA C 21 57.470 57.470 57.734 -0.264 19915 5542 1 20 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.895 1.485 19915 5543 1 20 . 1 1 21 21 GLU H H 21 9.202 9.202 9.031 0.171 19915 5544 1 20 . 1 1 22 22 GLU N N 22 117.042 117.042 118.587 -1.545 19915 5545 1 20 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.510 0.034 19915 5546 1 20 . 1 1 22 22 GLU CA C 22 54.711 54.711 55.962 -1.251 19915 5547 1 20 . 1 1 22 22 GLU H H 22 7.989 7.989 8.472 -0.483 19915 5548 1 20 . 1 1 23 23 GLY N N 23 107.576 107.576 108.108 -0.532 19915 5549 1 20 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.561 2.124 19915 5550 1 20 . 1 1 23 23 GLY H H 23 7.672 7.672 7.328 0.344 19915 5551 1 20 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.475 -0.341 19915 5552 1 20 . 1 1 24 24 PRO CA C 24 57.854 57.854 62.422 -4.568 19915 5553 1 20 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.984 1.058 19915 5554 1 20 . 1 1 25 25 ASP N N 25 118.400 118.400 119.257 -0.857 19915 5555 1 20 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.448 0.348 19915 5556 1 20 . 1 1 25 25 ASP CA C 25 56.353 56.353 55.711 0.642 19915 5557 1 20 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.508 1.693 19915 5558 1 20 . 1 1 25 25 ASP H H 25 7.974 7.974 8.664 -0.690 19915 5559 1 20 . 1 1 26 26 VAL N N 26 121.011 121.011 119.436 1.575 19915 5560 1 20 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.353 -0.051 19915 5561 1 20 . 1 1 26 26 VAL CA C 26 61.853 61.853 59.570 2.283 19915 5562 1 20 . 1 1 26 26 VAL CB C 26 35.914 35.914 35.219 0.695 19915 5563 1 20 . 1 1 26 26 VAL H H 26 9.319 9.319 7.777 1.542 19915 5564 1 20 . 1 1 27 27 PHE N N 27 130.309 130.309 127.290 3.019 19915 5565 1 20 . 1 1 27 27 PHE HA H 27 3.416 3.416 3.934 -0.518 19915 5566 1 20 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.380 3.949 19915 5567 1 20 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.301 0.992 19915 5568 1 20 . 1 1 27 27 PHE H H 27 8.575 8.575 8.144 0.431 19915 5569 1 20 . 1 1 28 28 VAL N N 28 124.445 124.445 122.112 2.333 19915 5570 1 20 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.528 -0.163 19915 5571 1 20 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.844 -1.251 19915 5572 1 20 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.320 -0.418 19915 5573 1 20 . 1 1 28 28 VAL H H 28 7.785 7.785 8.341 -0.556 19915 5574 1 20 . 1 1 29 29 HIS N N 29 127.048 127.048 122.541 4.507 19915 5575 1 20 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.464 -0.879 19915 5576 1 20 . 1 1 29 29 HIS CA C 29 56.491 56.491 53.441 3.050 19915 5577 1 20 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.256 1.675 19915 5578 1 20 . 1 1 29 29 HIS H H 29 8.538 8.538 8.195 0.343 19915 5579 1 20 . 1 1 30 30 PHE N N 30 123.381 123.381 120.717 2.664 19915 5580 1 20 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.830 -0.911 19915 5581 1 20 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.542 0.329 19915 5582 1 20 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.752 -0.440 19915 5583 1 20 . 1 1 30 30 PHE H H 30 8.331 8.331 9.130 -0.799 19915 5584 1 20 . 1 1 31 31 THR N N 31 117.402 117.402 107.497 9.905 19915 5585 1 20 . 1 1 31 31 THR HA H 31 3.656 3.656 3.899 -0.243 19915 5586 1 20 . 1 1 31 31 THR CA C 31 60.891 60.891 61.184 -0.293 19915 5587 1 20 . 1 1 31 31 THR CB C 31 63.467 63.467 67.947 -4.480 19915 5588 1 20 . 1 1 31 31 THR H H 31 7.606 7.606 7.923 -0.317 19915 5589 1 20 . 1 1 32 32 ALA N N 32 124.423 124.423 122.201 2.222 19915 5590 1 20 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.656 -0.265 19915 5591 1 20 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.258 2.212 19915 5592 1 20 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.877 0.843 19915 5593 1 20 . 1 1 32 32 ALA H H 32 8.045 8.045 7.900 0.145 19915 5594 1 20 . 1 1 33 33 ILE N N 33 119.413 119.413 119.637 -0.224 19915 5595 1 20 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.032 -0.150 19915 5596 1 20 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.949 1.681 19915 5597 1 20 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.394 0.397 19915 5598 1 20 . 1 1 33 33 ILE H H 33 7.471 7.471 7.319 0.152 19915 5599 1 20 . 1 1 34 34 GLU N N 34 127.220 127.220 128.181 -0.961 19915 5600 1 20 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.620 -0.314 19915 5601 1 20 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.211 1.080 19915 5602 1 20 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.417 0.493 19915 5603 1 20 . 1 1 34 34 GLU H H 34 8.973 8.973 8.443 0.530 19915 5604 1 20 . 1 1 35 35 ALA N N 35 119.122 119.122 124.384 -5.262 19915 5605 1 20 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.560 0.062 19915 5606 1 20 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.383 2.767 19915 5607 1 20 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.101 -1.274 19915 5608 1 20 . 1 1 35 35 ALA H H 35 7.557 7.557 7.818 -0.261 19915 5609 1 20 . 1 1 36 36 ASP N N 36 121.814 121.814 120.924 0.890 19915 5610 1 20 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.750 -0.175 19915 5611 1 20 . 1 1 36 36 ASP CA C 36 55.982 55.982 53.652 2.330 19915 5612 1 20 . 1 1 36 36 ASP CB C 36 41.691 41.691 40.567 1.124 19915 5613 1 20 . 1 1 36 36 ASP H H 36 8.582 8.582 8.590 -0.008 19915 5614 1 20 . 1 1 37 37 GLY N N 37 109.101 109.101 112.221 -3.120 19915 5615 1 20 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.626 1.482 19915 5616 1 20 . 1 1 37 37 GLY H H 37 8.297 8.297 8.031 0.266 19915 5617 1 20 . 1 1 38 38 PHE N N 38 121.524 121.524 125.559 -4.035 19915 5618 1 20 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.657 -0.607 19915 5619 1 20 . 1 1 38 38 PHE CA C 38 59.050 59.050 56.944 2.106 19915 5620 1 20 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.740 -0.467 19915 5621 1 20 . 1 1 38 38 PHE H H 38 7.972 7.972 8.493 -0.521 19915 5622 1 20 . 1 1 40 40 THR HA H 40 3.776 3.776 3.983 -0.207 19915 5623 1 20 . 1 1 40 40 THR CA C 40 57.432 57.432 61.468 -4.036 19915 5624 1 20 . 1 1 40 40 THR CB C 40 64.914 64.914 70.770 -5.856 19915 5625 1 20 . 1 1 40 40 THR H H 40 7.370 7.370 7.887 -0.517 19915 5626 1 20 . 1 1 41 41 LEU N N 41 119.141 119.141 120.113 -0.972 19915 5627 1 20 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.522 -0.089 19915 5628 1 20 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.339 0.282 19915 5629 1 20 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.495 3.179 19915 5630 1 20 . 1 1 41 41 LEU H H 41 5.887 5.887 7.286 -1.399 19915 5631 1 20 . 1 1 42 42 ASN N N 42 119.111 119.111 118.565 0.546 19915 5632 1 20 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.903 0.045 19915 5633 1 20 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.172 1.367 19915 5634 1 20 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.639 3.179 19915 5635 1 20 . 1 1 42 42 ASN H H 42 8.211 8.211 8.344 -0.133 19915 5636 1 20 . 1 1 43 43 GLU N N 43 121.200 121.200 124.832 -3.632 19915 5637 1 20 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.929 -0.370 19915 5638 1 20 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.200 0.948 19915 5639 1 20 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.562 0.560 19915 5640 1 20 . 1 1 43 43 GLU H H 43 8.662 8.662 9.020 -0.358 19915 5641 1 20 . 1 1 44 44 GLY N N 44 114.013 114.013 115.664 -1.651 19915 5642 1 20 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.832 1.209 19915 5643 1 20 . 1 1 44 44 GLY H H 44 9.091 9.091 8.723 0.368 19915 5644 1 20 . 1 1 45 45 GLU N N 45 121.040 121.040 120.274 0.766 19915 5645 1 20 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.573 -0.401 19915 5646 1 20 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.126 3.227 19915 5647 1 20 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.313 -1.291 19915 5648 1 20 . 1 1 45 45 GLU H H 45 7.760 7.760 7.907 -0.147 19915 5649 1 20 . 1 1 46 46 HIS N N 46 126.336 126.336 120.147 6.189 19915 5650 1 20 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.686 0.327 19915 5651 1 20 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.150 1.382 19915 5652 1 20 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.511 3.180 19915 5653 1 20 . 1 1 46 46 HIS H H 46 8.785 8.785 8.141 0.644 19915 5654 1 20 . 1 1 47 47 VAL N N 47 115.822 115.822 114.276 1.546 19915 5655 1 20 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.941 0.414 19915 5656 1 20 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.595 -0.893 19915 5657 1 20 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.523 2.107 19915 5658 1 20 . 1 1 47 47 VAL H H 47 8.605 8.605 8.942 -0.337 19915 5659 1 20 . 1 1 48 48 GLU N N 48 114.820 114.820 125.333 -10.513 19915 5660 1 20 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.986 -0.345 19915 5661 1 20 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.694 2.000 19915 5662 1 20 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.170 -5.268 19915 5663 1 20 . 1 1 48 48 GLU H H 48 9.124 9.124 8.390 0.734 19915 5664 1 20 . 1 1 49 49 PHE N N 49 117.334 117.334 123.323 -5.989 19915 5665 1 20 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.596 -0.369 19915 5666 1 20 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.473 2.867 19915 5667 1 20 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.012 -0.882 19915 5668 1 20 . 1 1 49 49 PHE H H 49 8.663 8.663 8.708 -0.045 19915 5669 1 20 . 1 1 50 50 GLU N N 50 110.733 110.733 122.123 -11.390 19915 5670 1 20 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.713 0.349 19915 5671 1 20 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.275 6.705 19915 5672 1 20 . 1 1 50 50 GLU CB C 50 31.200 31.200 29.974 1.226 19915 5673 1 20 . 1 1 50 50 GLU H H 50 8.979 8.979 8.445 0.534 19915 5674 1 20 . 1 1 51 51 VAL N N 51 121.323 121.323 119.937 1.386 19915 5675 1 20 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.691 0.007 19915 5676 1 20 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.575 -0.482 19915 5677 1 20 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.148 7.494 19915 5678 1 20 . 1 1 51 51 VAL H H 51 8.694 8.694 8.257 0.437 19915 5679 1 20 . 1 1 52 52 GLU N N 52 127.810 127.810 128.765 -0.955 19915 5680 1 20 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.767 -0.089 19915 5681 1 20 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.917 1.965 19915 5682 1 20 . 1 1 52 52 GLU CB C 52 32.361 32.361 31.891 0.470 19915 5683 1 20 . 1 1 52 52 GLU H H 52 9.189 9.189 8.289 0.900 19915 5684 1 20 . 1 1 54 54 GLY H H 54 9.310 9.310 8.688 0.622 19915 5685 1 20 . 1 1 55 55 ARG N N 55 118.520 118.520 121.113 -2.593 19915 5686 1 20 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.587 -0.067 19915 5687 1 20 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.647 3.334 19915 5688 1 20 . 1 1 55 55 ARG CB C 55 34.244 34.244 32.663 1.581 19915 5689 1 20 . 1 1 55 55 ARG H H 55 8.772 8.772 7.931 0.841 19915 5690 1 20 . 1 1 56 56 GLY N N 56 112.512 112.512 107.706 4.806 19915 5691 1 20 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.441 0.850 19915 5692 1 20 . 1 1 56 56 GLY H H 56 7.742 7.742 7.683 0.059 19915 5693 1 20 . 1 1 57 57 GLY N N 57 123.924 123.924 108.546 15.378 19915 5694 1 20 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.045 -1.522 19915 5695 1 20 . 1 1 57 57 GLY H H 57 8.634 8.634 8.356 0.278 19915 5696 1 20 . 1 1 58 58 LYS N N 58 115.021 115.021 119.474 -4.453 19915 5697 1 20 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.543 -0.205 19915 5698 1 20 . 1 1 58 58 LYS CA C 58 56.073 56.073 57.437 -1.364 19915 5699 1 20 . 1 1 58 58 LYS CB C 58 32.932 32.932 34.836 -1.903 19915 5700 1 20 . 1 1 58 58 LYS H H 58 8.417 8.417 8.524 -0.107 19915 5701 1 20 . 1 1 59 59 GLY N N 59 108.720 108.720 107.369 1.351 19915 5702 1 20 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.297 -0.206 19915 5703 1 20 . 1 1 59 59 GLY H H 59 7.423 7.423 7.842 -0.419 19915 5704 1 20 . 1 1 60 60 PRO HA H 60 4.871 4.871 5.015 -0.144 19915 5705 1 20 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.615 0.573 19915 5706 1 20 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.014 1.876 19915 5707 1 20 . 1 1 61 61 GLN N N 61 125.701 125.701 122.928 2.773 19915 5708 1 20 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.086 0.094 19915 5709 1 20 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.167 -1.295 19915 5710 1 20 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.022 -8.769 19915 5711 1 20 . 1 1 61 61 GLN H H 61 8.794 8.794 8.045 0.749 19915 5712 1 20 . 1 1 62 62 ALA N N 62 122.421 122.421 122.697 -0.276 19915 5713 1 20 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.470 0.579 19915 5714 1 20 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.502 0.439 19915 5715 1 20 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.170 3.750 19915 5716 1 20 . 1 1 62 62 ALA H H 62 8.898 8.898 8.588 0.310 19915 5717 1 20 . 1 1 63 63 LYS N N 63 109.000 109.000 119.740 -10.740 19915 5718 1 20 . 1 1 63 63 LYS HA H 63 4.612 4.612 4.068 0.544 19915 5719 1 20 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.887 -4.666 19915 5720 1 20 . 1 1 63 63 LYS H H 63 9.279 9.279 7.785 1.494 19915 5721 1 20 . 1 1 64 64 LYS N N 64 116.512 116.512 118.264 -1.752 19915 5722 1 20 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.508 -0.379 19915 5723 1 20 . 1 1 64 64 LYS CA C 64 55.271 55.271 54.889 0.382 19915 5724 1 20 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.340 5.460 19915 5725 1 20 . 1 1 64 64 LYS H H 64 9.248 9.248 7.381 1.867 19915 5726 1 20 . 1 1 65 65 VAL N N 65 118.120 118.120 125.660 -7.540 19915 5727 1 20 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.150 -0.502 19915 5728 1 20 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.163 4.068 19915 5729 1 20 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.216 -2.944 19915 5730 1 20 . 1 1 65 65 VAL H H 65 8.162 8.162 8.288 -0.126 19915 5731 1 20 . 1 1 66 66 ARG N N 66 120.932 120.932 124.441 -3.509 19915 5732 1 20 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.822 -0.059 19915 5733 1 20 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.561 6.832 19915 5734 1 20 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.955 -2.443 19915 5735 1 20 . 1 1 66 66 ARG H H 66 9.023 9.023 9.003 0.020 19915 5736 1 20 . 1 1 67 67 ARG N N 67 119.710 119.710 124.715 -5.005 19915 5737 1 20 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.201 0.426 19915 5738 1 20 . 1 1 67 67 ARG CA C 67 60.391 60.391 57.035 3.356 19915 5739 1 20 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.688 3.845 19915 5740 1 20 . 1 1 67 67 ARG H H 67 8.798 8.798 8.680 0.118 19915 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 59 5.706 1.227 5.620 19915 2 1 1 "Average Difference" HA 74 0.515 -0.012 0.518 19915 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19915 4 1 1 "Average Difference" CA 62 2.726 -1.195 2.470 19915 5 1 1 "Average Difference" CB 51 2.894 -0.569 2.866 19915 6 1 1 "Average Difference" HN 61 0.613 -0.199 0.585 19915 7 1 2 "Average Difference" N 59 5.664 1.163 5.591 19915 8 1 2 "Average Difference" HA 74 0.523 0.007 0.527 19915 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19915 10 1 2 "Average Difference" CA 62 2.598 -1.200 2.324 19915 11 1 2 "Average Difference" CB 51 2.836 -0.445 2.829 19915 12 1 2 "Average Difference" HN 61 0.605 -0.157 0.589 19915 13 1 3 "Average Difference" N 59 5.660 1.144 5.591 19915 14 1 3 "Average Difference" HA 74 0.489 0.010 0.492 19915 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19915 16 1 3 "Average Difference" CA 62 2.664 -1.082 2.455 19915 17 1 3 "Average Difference" CB 51 2.842 -0.519 2.823 19915 18 1 3 "Average Difference" HN 61 0.601 -0.170 0.581 19915 19 1 4 "Average Difference" N 59 5.649 1.369 5.528 19915 20 1 4 "Average Difference" HA 74 0.535 -0.002 0.539 19915 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19915 22 1 4 "Average Difference" CA 62 2.640 -1.127 2.406 19915 23 1 4 "Average Difference" CB 51 2.783 -0.494 2.765 19915 24 1 4 "Average Difference" HN 61 0.631 -0.157 0.616 19915 25 1 5 "Average Difference" N 59 5.735 1.455 5.595 19915 26 1 5 "Average Difference" HA 74 0.540 -0.012 0.543 19915 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19915 28 1 5 "Average Difference" CA 62 2.655 -1.216 2.380 19915 29 1 5 "Average Difference" CB 51 2.847 -0.506 2.830 19915 30 1 5 "Average Difference" HN 61 0.644 -0.147 0.633 19915 31 1 6 "Average Difference" N 59 5.633 1.113 5.569 19915 32 1 6 "Average Difference" HA 74 0.518 0.007 0.522 19915 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19915 34 1 6 "Average Difference" CA 62 2.773 -1.211 2.515 19915 35 1 6 "Average Difference" CB 51 2.877 -0.526 2.857 19915 36 1 6 "Average Difference" HN 61 0.627 -0.173 0.607 19915 37 1 7 "Average Difference" N 59 5.757 1.308 5.655 19915 38 1 7 "Average Difference" HA 74 0.502 -0.031 0.505 19915 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19915 40 1 7 "Average Difference" CA 62 2.640 -1.169 2.387 19915 41 1 7 "Average Difference" CB 51 2.888 -0.552 2.863 19915 42 1 7 "Average Difference" HN 61 0.625 -0.168 0.607 19915 43 1 8 "Average Difference" N 59 5.736 1.352 5.623 19915 44 1 8 "Average Difference" HA 74 0.519 -0.004 0.522 19915 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19915 46 1 8 "Average Difference" CA 62 2.645 -1.194 2.379 19915 47 1 8 "Average Difference" CB 51 2.881 -0.530 2.860 19915 48 1 8 "Average Difference" HN 61 0.676 -0.151 0.664 19915 49 1 9 "Average Difference" N 59 5.566 1.233 5.474 19915 50 1 9 "Average Difference" HA 74 0.494 -0.006 0.497 19915 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19915 52 1 9 "Average Difference" CA 62 2.592 -1.142 2.346 19915 53 1 9 "Average Difference" CB 51 2.907 -0.532 2.887 19915 54 1 9 "Average Difference" HN 61 0.604 -0.170 0.584 19915 55 1 10 "Average Difference" N 59 5.700 1.249 5.609 19915 56 1 10 "Average Difference" HA 74 0.500 0.001 0.504 19915 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19915 58 1 10 "Average Difference" CA 62 2.589 -1.189 2.318 19915 59 1 10 "Average Difference" CB 51 2.875 -0.544 2.851 19915 60 1 10 "Average Difference" HN 61 0.648 -0.173 0.630 19915 61 1 11 "Average Difference" N 59 5.696 1.147 5.627 19915 62 1 11 "Average Difference" HA 74 0.526 0.000 0.530 19915 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19915 64 1 11 "Average Difference" CA 62 2.700 -1.163 2.456 19915 65 1 11 "Average Difference" CB 51 2.826 -0.468 2.815 19915 66 1 11 "Average Difference" HN 61 0.591 -0.140 0.579 19915 67 1 12 "Average Difference" N 59 5.725 1.462 5.583 19915 68 1 12 "Average Difference" HA 74 0.520 -0.003 0.523 19915 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19915 70 1 12 "Average Difference" CA 62 2.646 -1.129 2.413 19915 71 1 12 "Average Difference" CB 51 2.905 -0.529 2.885 19915 72 1 12 "Average Difference" HN 61 0.665 -0.154 0.652 19915 73 1 13 "Average Difference" N 59 5.669 1.120 5.605 19915 74 1 13 "Average Difference" HA 74 0.476 0.003 0.480 19915 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19915 76 1 13 "Average Difference" CA 62 2.605 -1.160 2.352 19915 77 1 13 "Average Difference" CB 51 2.878 -0.576 2.847 19915 78 1 13 "Average Difference" HN 61 0.616 -0.169 0.597 19915 79 1 14 "Average Difference" N 59 5.663 1.287 5.562 19915 80 1 14 "Average Difference" HA 74 0.521 -0.002 0.524 19915 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19915 82 1 14 "Average Difference" CA 62 2.632 -1.153 2.385 19915 83 1 14 "Average Difference" CB 51 2.886 -0.567 2.858 19915 84 1 14 "Average Difference" HN 61 0.657 -0.170 0.640 19915 85 1 15 "Average Difference" N 59 5.658 1.264 5.563 19915 86 1 15 "Average Difference" HA 74 0.505 0.010 0.508 19915 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19915 88 1 15 "Average Difference" CA 62 2.647 -1.241 2.356 19915 89 1 15 "Average Difference" CB 51 2.887 -0.539 2.864 19915 90 1 15 "Average Difference" HN 61 0.647 -0.144 0.636 19915 91 1 16 "Average Difference" N 59 5.580 1.328 5.466 19915 92 1 16 "Average Difference" HA 74 0.529 0.001 0.532 19915 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19915 94 1 16 "Average Difference" CA 62 2.567 -1.216 2.279 19915 95 1 16 "Average Difference" CB 51 2.844 -0.519 2.824 19915 96 1 16 "Average Difference" HN 61 0.659 -0.189 0.637 19915 97 1 17 "Average Difference" N 59 5.678 1.169 5.604 19915 98 1 17 "Average Difference" HA 74 0.510 -0.010 0.513 19915 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19915 100 1 17 "Average Difference" CA 62 2.663 -1.213 2.391 19915 101 1 17 "Average Difference" CB 51 2.841 -0.493 2.826 19915 102 1 17 "Average Difference" HN 61 0.584 -0.208 0.550 19915 103 1 18 "Average Difference" N 59 5.782 1.513 5.628 19915 104 1 18 "Average Difference" HA 74 0.549 -0.008 0.552 19915 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19915 106 1 18 "Average Difference" CA 62 2.640 -1.197 2.373 19915 107 1 18 "Average Difference" CB 51 2.802 -0.559 2.773 19915 108 1 18 "Average Difference" HN 61 0.677 -0.134 0.669 19915 109 1 19 "Average Difference" N 59 5.707 1.388 5.583 19915 110 1 19 "Average Difference" HA 74 0.539 0.001 0.542 19915 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19915 112 1 19 "Average Difference" CA 62 2.582 -1.156 2.328 19915 113 1 19 "Average Difference" CB 51 2.845 -0.546 2.820 19915 114 1 19 "Average Difference" HN 61 0.667 -0.128 0.660 19915 115 1 20 "Average Difference" N 59 5.865 1.087 5.813 19915 116 1 20 "Average Difference" HA 74 0.488 0.018 0.491 19915 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19915 118 1 20 "Average Difference" CA 62 2.661 -1.246 2.370 19915 119 1 20 "Average Difference" CB 51 2.853 -0.536 2.830 19915 120 1 20 "Average Difference" HN 61 0.673 -0.171 0.656 19915 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 19915 _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 LYS N N 2 123.000 123.000 121.281 1.719 19915 2 1 . 1 1 2 2 LYS HA H 2 4.582 4.582 4.571 0.011 19915 3 1 . 1 1 2 2 LYS CA C 2 54.395 54.395 53.650 0.745 19915 4 1 . 1 1 2 2 LYS CB C 2 34.710 34.710 35.944 -1.234 19915 5 1 . 1 1 2 2 LYS H H 2 8.628 8.628 8.358 0.270 19915 6 1 . 1 1 3 3 LYS N N 3 107.200 107.200 119.520 -12.320 19915 7 1 . 1 1 3 3 LYS HA H 3 5.443 5.443 4.597 0.846 19915 8 1 . 1 1 3 3 LYS CA C 3 60.714 60.714 55.034 5.680 19915 9 1 . 1 1 3 3 LYS CB C 3 32.400 32.400 35.847 -3.447 19915 10 1 . 1 1 3 3 LYS H H 3 7.657 7.657 8.384 -0.727 19915 11 1 . 1 1 4 4 GLY N N 4 108.916 108.916 110.236 -1.320 19915 12 1 . 1 1 4 4 GLY CA C 4 47.085 47.085 45.682 1.403 19915 13 1 . 1 1 4 4 GLY H H 4 8.951 8.951 8.744 0.206 19915 14 1 . 1 1 5 5 THR N N 5 119.459 119.459 114.144 5.315 19915 15 1 . 1 1 5 5 THR HA H 5 5.063 5.063 4.935 0.128 19915 16 1 . 1 1 5 5 THR CA C 5 59.310 59.310 60.849 -1.539 19915 17 1 . 1 1 5 5 THR CB C 5 72.727 72.727 69.966 2.761 19915 18 1 . 1 1 5 5 THR H H 5 8.199 8.199 8.123 0.076 19915 19 1 . 1 1 6 6 VAL N N 6 126.647 126.647 122.891 3.756 19915 20 1 . 1 1 6 6 VAL HA H 6 3.530 3.530 3.983 -0.453 19915 21 1 . 1 1 6 6 VAL CA C 6 65.690 65.690 61.308 4.382 19915 22 1 . 1 1 6 6 VAL CB C 6 32.288 32.288 33.552 -1.264 19915 23 1 . 1 1 6 6 VAL H H 6 8.818 8.818 8.448 0.369 19915 24 1 . 1 1 7 7 LYS N N 7 104.469 104.469 129.424 -24.955 19915 25 1 . 1 1 7 7 LYS HA H 7 4.151 4.151 4.463 -0.312 19915 26 1 . 1 1 7 7 LYS CA C 7 59.757 59.757 56.985 2.771 19915 27 1 . 1 1 7 7 LYS CB C 7 34.977 34.977 34.851 0.126 19915 28 1 . 1 1 7 7 LYS H H 7 9.139 9.139 8.203 0.936 19915 29 1 . 1 1 8 8 TRP N N 8 110.745 110.745 116.719 -5.974 19915 30 1 . 1 1 8 8 TRP HA H 8 4.580 4.580 4.729 -0.149 19915 31 1 . 1 1 8 8 TRP CA C 8 57.229 57.229 56.945 0.284 19915 32 1 . 1 1 8 8 TRP CB C 8 31.583 31.583 29.992 1.591 19915 33 1 . 1 1 8 8 TRP H H 8 7.427 7.427 7.303 0.124 19915 34 1 . 1 1 9 9 PHE N N 9 120.922 120.922 125.444 -4.522 19915 35 1 . 1 1 9 9 PHE HA H 9 4.149 4.149 4.782 -0.633 19915 36 1 . 1 1 9 9 PHE CA C 9 60.381 60.381 56.936 3.445 19915 37 1 . 1 1 9 9 PHE CB C 9 42.933 42.933 41.074 1.859 19915 38 1 . 1 1 9 9 PHE H H 9 9.247 9.247 8.583 0.664 19915 39 1 . 1 1 10 10 ASN N N 10 127.119 127.119 125.758 1.361 19915 40 1 . 1 1 10 10 ASN HA H 10 4.949 4.949 4.516 0.433 19915 41 1 . 1 1 10 10 ASN CA C 10 52.520 52.520 52.732 -0.212 19915 42 1 . 1 1 10 10 ASN CB C 10 39.990 39.990 38.566 1.424 19915 43 1 . 1 1 10 10 ASN H H 10 8.171 8.171 8.057 0.114 19915 44 1 . 1 1 11 11 ALA N N 11 128.949 128.949 128.367 0.582 19915 45 1 . 1 1 11 11 ALA HA H 11 4.236 4.236 3.990 0.246 19915 46 1 . 1 1 11 11 ALA CA C 11 55.476 55.476 53.841 1.635 19915 47 1 . 1 1 11 11 ALA CB C 11 19.440 19.440 18.832 0.608 19915 48 1 . 1 1 11 11 ALA H H 11 9.105 9.105 8.419 0.686 19915 49 1 . 1 1 12 12 GLU N N 12 117.291 117.291 118.487 -1.196 19915 50 1 . 1 1 12 12 GLU HA H 12 4.474 4.474 4.032 0.442 19915 51 1 . 1 1 12 12 GLU CA C 12 57.724 57.724 58.594 -0.870 19915 52 1 . 1 1 12 12 GLU CB C 12 31.477 31.477 29.434 2.043 19915 53 1 . 1 1 12 12 GLU H H 12 8.023 8.023 8.254 -0.231 19915 54 1 . 1 1 13 13 LYS N N 13 116.096 116.096 116.055 0.041 19915 55 1 . 1 1 13 13 LYS HA H 13 4.277 4.277 4.251 0.026 19915 56 1 . 1 1 13 13 LYS CA C 13 57.285 57.285 56.316 0.969 19915 57 1 . 1 1 13 13 LYS CB C 13 34.493 34.493 33.593 0.900 19915 58 1 . 1 1 13 13 LYS H H 13 7.437 7.437 7.990 -0.553 19915 59 1 . 1 1 14 14 GLY N N 14 107.751 107.751 107.104 0.647 19915 60 1 . 1 1 14 14 GLY CA C 14 47.239 47.239 44.800 2.439 19915 61 1 . 1 1 14 14 GLY H H 14 8.185 8.185 7.736 0.449 19915 62 1 . 1 1 15 15 TYR N N 15 112.589 112.589 117.205 -4.616 19915 63 1 . 1 1 15 15 TYR HA H 15 4.936 4.936 5.575 -0.638 19915 64 1 . 1 1 15 15 TYR CA C 15 56.020 56.020 55.209 0.811 19915 65 1 . 1 1 15 15 TYR CB C 15 43.074 43.074 40.893 2.181 19915 66 1 . 1 1 15 15 TYR H H 15 6.666 6.666 7.639 -0.973 19915 67 1 . 1 1 16 16 GLY N N 16 105.623 105.623 106.099 -0.476 19915 68 1 . 1 1 16 16 GLY CA C 16 45.959 45.959 45.237 0.722 19915 69 1 . 1 1 16 16 GLY H H 16 8.022 8.022 8.675 -0.653 19915 70 1 . 1 1 17 17 PHE N N 17 115.128 115.128 117.252 -2.124 19915 71 1 . 1 1 17 17 PHE HA H 17 5.039 5.039 5.057 -0.018 19915 72 1 . 1 1 17 17 PHE CA C 17 57.509 57.509 56.555 0.954 19915 73 1 . 1 1 17 17 PHE CB C 17 46.284 46.284 42.892 3.392 19915 74 1 . 1 1 17 17 PHE H H 17 7.810 7.810 7.862 -0.052 19915 75 1 . 1 1 18 18 ILE N N 18 121.714 121.714 122.268 -0.554 19915 76 1 . 1 1 18 18 ILE HA H 18 4.134 4.134 4.022 0.112 19915 77 1 . 1 1 18 18 ILE CA C 18 60.454 60.454 60.704 -0.250 19915 78 1 . 1 1 18 18 ILE CB C 18 42.821 42.821 39.123 3.698 19915 79 1 . 1 1 18 18 ILE H H 18 9.407 9.407 7.922 1.485 19915 80 1 . 1 1 19 19 GLN N N 19 126.901 126.901 123.067 3.834 19915 81 1 . 1 1 19 19 GLN HA H 19 4.155 4.155 4.725 -0.570 19915 82 1 . 1 1 19 19 GLN CA C 19 60.293 60.293 53.523 6.771 19915 83 1 . 1 1 19 19 GLN CB C 19 31.390 31.390 30.418 0.972 19915 84 1 . 1 1 19 19 GLN H H 19 9.353 9.353 8.335 1.018 19915 85 1 . 1 1 20 20 GLN HA H 20 4.717 4.717 4.486 0.231 19915 86 1 . 1 1 21 21 GLU N N 21 123.394 123.394 119.404 3.990 19915 87 1 . 1 1 21 21 GLU HA H 21 4.629 4.629 4.122 0.507 19915 88 1 . 1 1 21 21 GLU CA C 21 57.470 57.470 58.781 -1.311 19915 89 1 . 1 1 21 21 GLU CB C 21 31.380 31.380 29.609 1.771 19915 90 1 . 1 1 21 21 GLU H H 21 9.202 9.202 8.837 0.365 19915 91 1 . 1 1 22 22 GLU N N 22 117.042 117.042 117.752 -0.710 19915 92 1 . 1 1 22 22 GLU HA H 22 4.544 4.544 4.409 0.135 19915 93 1 . 1 1 22 22 GLU CA C 22 54.711 54.711 56.031 -1.320 19915 94 1 . 1 1 22 22 GLU H H 22 7.989 7.989 8.237 -0.248 19915 95 1 . 1 1 23 23 GLY N N 23 107.576 107.576 110.685 -3.109 19915 96 1 . 1 1 23 23 GLY CA C 23 46.685 46.685 44.984 1.701 19915 97 1 . 1 1 23 23 GLY H H 23 7.672 7.672 7.972 -0.300 19915 98 1 . 1 1 24 24 PRO HA H 24 4.134 4.134 4.446 -0.311 19915 99 1 . 1 1 24 24 PRO CA C 24 57.854 57.854 63.668 -5.814 19915 100 1 . 1 1 24 24 PRO CB C 24 34.042 34.042 32.673 1.369 19915 101 1 . 1 1 25 25 ASP N N 25 118.400 118.400 117.533 0.867 19915 102 1 . 1 1 25 25 ASP HA H 25 4.796 4.796 4.663 0.133 19915 103 1 . 1 1 25 25 ASP CA C 25 56.353 56.353 54.293 2.060 19915 104 1 . 1 1 25 25 ASP CB C 25 42.201 42.201 40.884 1.317 19915 105 1 . 1 1 25 25 ASP H H 25 7.974 7.974 8.318 -0.344 19915 106 1 . 1 1 26 26 VAL N N 26 121.011 121.011 121.309 -0.298 19915 107 1 . 1 1 26 26 VAL HA H 26 4.302 4.302 4.451 -0.149 19915 108 1 . 1 1 26 26 VAL CA C 26 61.853 61.853 60.295 1.558 19915 109 1 . 1 1 26 26 VAL CB C 26 35.914 35.914 34.917 0.997 19915 110 1 . 1 1 26 26 VAL H H 26 9.319 9.319 8.097 1.222 19915 111 1 . 1 1 27 27 PHE N N 27 130.309 130.309 127.954 2.355 19915 112 1 . 1 1 27 27 PHE HA H 27 3.416 3.416 4.078 -0.662 19915 113 1 . 1 1 27 27 PHE CA C 27 59.329 59.329 55.499 3.830 19915 114 1 . 1 1 27 27 PHE CB C 27 41.293 41.293 40.522 0.771 19915 115 1 . 1 1 27 27 PHE H H 27 8.575 8.575 8.283 0.292 19915 116 1 . 1 1 28 28 VAL N N 28 124.445 124.445 122.771 1.674 19915 117 1 . 1 1 28 28 VAL HA H 28 4.365 4.365 4.724 -0.359 19915 118 1 . 1 1 28 28 VAL CA C 28 58.593 58.593 59.527 -0.934 19915 119 1 . 1 1 28 28 VAL CB C 28 34.902 34.902 35.597 -0.695 19915 120 1 . 1 1 28 28 VAL H H 28 7.785 7.785 8.301 -0.516 19915 121 1 . 1 1 29 29 HIS N N 29 127.048 127.048 123.109 3.940 19915 122 1 . 1 1 29 29 HIS HA H 29 4.585 4.585 5.332 -0.747 19915 123 1 . 1 1 29 29 HIS CA C 29 56.491 56.491 54.109 2.382 19915 124 1 . 1 1 29 29 HIS CB C 29 34.931 34.931 33.742 1.188 19915 125 1 . 1 1 29 29 HIS H H 29 8.538 8.538 8.312 0.226 19915 126 1 . 1 1 30 30 PHE N N 30 123.381 123.381 120.796 2.585 19915 127 1 . 1 1 30 30 PHE HA H 30 3.919 3.919 4.758 -0.839 19915 128 1 . 1 1 30 30 PHE CA C 30 60.871 60.871 60.322 0.549 19915 129 1 . 1 1 30 30 PHE CB C 30 38.312 38.312 38.987 -0.675 19915 130 1 . 1 1 30 30 PHE H H 30 8.331 8.331 9.060 -0.729 19915 131 1 . 1 1 31 31 THR N N 31 117.402 117.402 111.835 5.567 19915 132 1 . 1 1 31 31 THR HA H 31 3.656 3.656 3.938 -0.282 19915 133 1 . 1 1 31 31 THR CA C 31 60.891 60.891 61.409 -0.518 19915 134 1 . 1 1 31 31 THR CB C 31 63.467 63.467 67.549 -4.082 19915 135 1 . 1 1 31 31 THR H H 31 7.606 7.606 7.862 -0.256 19915 136 1 . 1 1 32 32 ALA N N 32 124.423 124.423 122.272 2.151 19915 137 1 . 1 1 32 32 ALA HA H 32 4.391 4.391 4.625 -0.234 19915 138 1 . 1 1 32 32 ALA CA C 32 53.470 53.470 51.312 2.158 19915 139 1 . 1 1 32 32 ALA CB C 32 21.720 21.720 20.869 0.851 19915 140 1 . 1 1 32 32 ALA H H 32 8.045 8.045 7.906 0.139 19915 141 1 . 1 1 33 33 ILE N N 33 119.413 119.413 119.892 -0.479 19915 142 1 . 1 1 33 33 ILE HA H 33 3.882 3.882 4.054 -0.172 19915 143 1 . 1 1 33 33 ILE CA C 33 63.630 63.630 61.810 1.820 19915 144 1 . 1 1 33 33 ILE CB C 33 38.791 38.791 38.482 0.309 19915 145 1 . 1 1 33 33 ILE H H 33 7.471 7.471 7.342 0.129 19915 146 1 . 1 1 34 34 GLU N N 34 127.220 127.220 127.963 -0.743 19915 147 1 . 1 1 34 34 GLU HA H 34 4.306 4.306 4.570 -0.264 19915 148 1 . 1 1 34 34 GLU CA C 34 56.291 56.291 55.287 1.004 19915 149 1 . 1 1 34 34 GLU CB C 34 29.910 29.910 29.208 0.702 19915 150 1 . 1 1 34 34 GLU H H 34 8.973 8.973 8.346 0.627 19915 151 1 . 1 1 35 35 ALA N N 35 119.122 119.122 124.763 -5.641 19915 152 1 . 1 1 35 35 ALA HA H 35 4.622 4.622 4.561 0.061 19915 153 1 . 1 1 35 35 ALA CA C 35 54.150 54.150 51.077 3.073 19915 154 1 . 1 1 35 35 ALA CB C 35 19.827 19.827 21.027 -1.200 19915 155 1 . 1 1 35 35 ALA H H 35 7.557 7.557 7.826 -0.269 19915 156 1 . 1 1 36 36 ASP N N 36 121.814 121.814 121.620 0.194 19915 157 1 . 1 1 36 36 ASP HA H 36 4.575 4.575 4.686 -0.111 19915 158 1 . 1 1 36 36 ASP CA C 36 55.982 55.982 54.060 1.922 19915 159 1 . 1 1 36 36 ASP CB C 36 41.691 41.691 39.762 1.929 19915 160 1 . 1 1 36 36 ASP H H 36 8.582 8.582 8.615 -0.033 19915 161 1 . 1 1 37 37 GLY N N 37 109.101 109.101 110.331 -1.230 19915 162 1 . 1 1 37 37 GLY CA C 37 46.108 46.108 44.556 1.552 19915 163 1 . 1 1 37 37 GLY H H 37 8.297 8.297 7.768 0.529 19915 164 1 . 1 1 38 38 PHE N N 38 121.524 121.524 123.984 -2.460 19915 165 1 . 1 1 38 38 PHE HA H 38 4.050 4.050 4.532 -0.482 19915 166 1 . 1 1 38 38 PHE CA C 38 59.050 59.050 57.642 1.408 19915 167 1 . 1 1 38 38 PHE CB C 38 39.273 39.273 39.193 0.080 19915 168 1 . 1 1 38 38 PHE H H 38 7.972 7.972 8.366 -0.394 19915 169 1 . 1 1 40 40 THR HA H 40 3.776 3.776 4.100 -0.324 19915 170 1 . 1 1 40 40 THR CA C 40 57.432 57.432 60.842 -3.410 19915 171 1 . 1 1 40 40 THR CB C 40 64.914 64.914 70.695 -5.781 19915 172 1 . 1 1 40 40 THR H H 40 7.370 7.370 7.925 -0.555 19915 173 1 . 1 1 41 41 LEU N N 41 119.141 119.141 120.461 -1.320 19915 174 1 . 1 1 41 41 LEU HA H 41 4.433 4.433 4.486 -0.053 19915 175 1 . 1 1 41 41 LEU CA C 41 53.621 53.621 53.196 0.425 19915 176 1 . 1 1 41 41 LEU CB C 41 46.674 46.674 43.787 2.887 19915 177 1 . 1 1 41 41 LEU H H 41 5.887 5.887 7.442 -1.555 19915 178 1 . 1 1 42 42 ASN N N 42 119.111 119.111 119.082 0.029 19915 179 1 . 1 1 42 42 ASN HA H 42 4.948 4.948 4.903 0.045 19915 180 1 . 1 1 42 42 ASN CA C 42 53.539 53.539 52.322 1.217 19915 181 1 . 1 1 42 42 ASN CB C 42 43.818 43.818 40.910 2.907 19915 182 1 . 1 1 42 42 ASN H H 42 8.211 8.211 8.425 -0.214 19915 183 1 . 1 1 43 43 GLU N N 43 121.200 121.200 125.082 -3.882 19915 184 1 . 1 1 43 43 GLU HA H 43 3.559 3.559 3.964 -0.405 19915 185 1 . 1 1 43 43 GLU CA C 43 59.148 59.148 58.206 0.942 19915 186 1 . 1 1 43 43 GLU CB C 43 30.122 30.122 29.544 0.578 19915 187 1 . 1 1 43 43 GLU H H 43 8.662 8.662 9.027 -0.365 19915 188 1 . 1 1 44 44 GLY N N 44 114.013 114.013 115.437 -1.424 19915 189 1 . 1 1 44 44 GLY CA C 44 46.041 46.041 44.812 1.229 19915 190 1 . 1 1 44 44 GLY H H 44 9.091 9.091 8.625 0.466 19915 191 1 . 1 1 45 45 GLU N N 45 121.040 121.040 120.766 0.274 19915 192 1 . 1 1 45 45 GLU HA H 45 4.172 4.172 4.641 -0.469 19915 193 1 . 1 1 45 45 GLU CA C 45 57.353 57.353 54.269 3.084 19915 194 1 . 1 1 45 45 GLU CB C 45 31.022 31.022 32.152 -1.130 19915 195 1 . 1 1 45 45 GLU H H 45 7.760 7.760 7.897 -0.137 19915 196 1 . 1 1 46 46 HIS N N 46 126.336 126.336 120.272 6.064 19915 197 1 . 1 1 46 46 HIS HA H 46 5.013 5.013 4.709 0.304 19915 198 1 . 1 1 46 46 HIS CA C 46 57.532 57.532 56.183 1.349 19915 199 1 . 1 1 46 46 HIS CB C 46 33.691 33.691 30.548 3.143 19915 200 1 . 1 1 46 46 HIS H H 46 8.785 8.785 8.164 0.621 19915 201 1 . 1 1 47 47 VAL N N 47 115.822 115.822 114.746 1.076 19915 202 1 . 1 1 47 47 VAL HA H 47 5.355 5.355 4.912 0.443 19915 203 1 . 1 1 47 47 VAL CA C 47 59.702 59.702 60.546 -0.844 19915 204 1 . 1 1 47 47 VAL CB C 47 37.630 37.630 35.517 2.113 19915 205 1 . 1 1 47 47 VAL H H 47 8.605 8.605 8.869 -0.264 19915 206 1 . 1 1 48 48 GLU N N 48 114.820 114.820 125.148 -10.328 19915 207 1 . 1 1 48 48 GLU HA H 48 4.641 4.641 4.914 -0.273 19915 208 1 . 1 1 48 48 GLU CA C 48 56.694 56.694 54.778 1.916 19915 209 1 . 1 1 48 48 GLU CB C 48 26.902 26.902 32.062 -5.161 19915 210 1 . 1 1 48 48 GLU H H 48 9.124 9.124 8.383 0.741 19915 211 1 . 1 1 49 49 PHE N N 49 117.334 117.334 123.290 -5.956 19915 212 1 . 1 1 49 49 PHE HA H 49 5.227 5.227 5.588 -0.361 19915 213 1 . 1 1 49 49 PHE CA C 49 57.340 57.340 54.574 2.766 19915 214 1 . 1 1 49 49 PHE CB C 49 41.130 41.130 42.355 -1.225 19915 215 1 . 1 1 49 49 PHE H H 49 8.663 8.663 8.666 -0.003 19915 216 1 . 1 1 50 50 GLU N N 50 110.733 110.733 122.367 -11.634 19915 217 1 . 1 1 50 50 GLU HA H 50 5.062 5.062 4.681 0.381 19915 218 1 . 1 1 50 50 GLU CA C 50 60.980 60.980 54.582 6.398 19915 219 1 . 1 1 50 50 GLU CB C 50 31.200 31.200 30.814 0.386 19915 220 1 . 1 1 50 50 GLU H H 50 8.979 8.979 8.525 0.454 19915 221 1 . 1 1 51 51 VAL N N 51 121.323 121.323 121.202 0.121 19915 222 1 . 1 1 51 51 VAL HA H 51 4.698 4.698 4.618 0.080 19915 223 1 . 1 1 51 51 VAL CA C 51 62.093 62.093 62.590 -0.497 19915 224 1 . 1 1 51 51 VAL CB C 51 39.642 39.642 32.049 7.593 19915 225 1 . 1 1 51 51 VAL H H 51 8.694 8.694 8.344 0.350 19915 226 1 . 1 1 52 52 GLU N N 52 127.810 127.810 128.608 -0.798 19915 227 1 . 1 1 52 52 GLU HA H 52 4.678 4.678 4.870 -0.192 19915 228 1 . 1 1 52 52 GLU CA C 52 54.882 54.882 52.732 2.150 19915 229 1 . 1 1 52 52 GLU CB C 52 32.361 32.361 32.148 0.213 19915 230 1 . 1 1 52 52 GLU H H 52 9.189 9.189 8.271 0.918 19915 231 1 . 1 1 54 54 GLY H H 54 9.310 9.310 8.623 0.687 19915 232 1 . 1 1 55 55 ARG N N 55 118.520 118.520 120.438 -1.918 19915 233 1 . 1 1 55 55 ARG HA H 55 4.520 4.520 4.487 0.033 19915 234 1 . 1 1 55 55 ARG CA C 55 58.981 58.981 55.762 3.219 19915 235 1 . 1 1 55 55 ARG CB C 55 34.244 34.244 33.044 1.200 19915 236 1 . 1 1 55 55 ARG H H 55 8.772 8.772 8.040 0.732 19915 237 1 . 1 1 56 56 GLY N N 56 112.512 112.512 107.224 5.288 19915 238 1 . 1 1 56 56 GLY CA C 56 45.291 45.291 44.249 1.042 19915 239 1 . 1 1 56 56 GLY H H 56 7.742 7.742 7.650 0.092 19915 240 1 . 1 1 57 57 GLY N N 57 123.924 123.924 109.425 14.499 19915 241 1 . 1 1 57 57 GLY CA C 57 45.523 45.523 47.157 -1.634 19915 242 1 . 1 1 57 57 GLY H H 57 8.634 8.634 8.331 0.303 19915 243 1 . 1 1 58 58 LYS N N 58 115.021 115.021 119.473 -4.452 19915 244 1 . 1 1 58 58 LYS HA H 58 4.338 4.338 4.530 -0.192 19915 245 1 . 1 1 58 58 LYS CA C 58 56.073 56.073 56.652 -0.579 19915 246 1 . 1 1 58 58 LYS CB C 58 32.932 32.932 33.623 -0.691 19915 247 1 . 1 1 58 58 LYS H H 58 8.417 8.417 8.164 0.253 19915 248 1 . 1 1 59 59 GLY N N 59 108.720 108.720 106.726 1.994 19915 249 1 . 1 1 59 59 GLY CA C 59 45.092 45.092 45.218 -0.126 19915 250 1 . 1 1 59 59 GLY H H 59 7.423 7.423 7.732 -0.309 19915 251 1 . 1 1 60 60 PRO HA H 60 4.871 4.871 4.931 -0.060 19915 252 1 . 1 1 60 60 PRO CA C 60 63.188 63.188 62.630 0.558 19915 253 1 . 1 1 60 60 PRO CB C 60 32.890 32.890 31.183 1.707 19915 254 1 . 1 1 61 61 GLN N N 61 125.701 125.701 124.780 0.921 19915 255 1 . 1 1 61 61 GLN HA H 61 5.180 5.180 5.081 0.099 19915 256 1 . 1 1 61 61 GLN CA C 61 51.872 51.872 53.294 -1.422 19915 257 1 . 1 1 61 61 GLN CB C 61 23.253 23.253 32.550 -9.297 19915 258 1 . 1 1 61 61 GLN H H 61 8.794 8.794 8.107 0.687 19915 259 1 . 1 1 62 62 ALA N N 62 122.421 122.421 125.848 -3.427 19915 260 1 . 1 1 62 62 ALA HA H 62 5.049 5.049 4.511 0.538 19915 261 1 . 1 1 62 62 ALA CA C 62 51.941 51.941 51.860 0.081 19915 262 1 . 1 1 62 62 ALA CB C 62 20.920 20.920 17.288 3.633 19915 263 1 . 1 1 62 62 ALA H H 62 8.898 8.898 8.625 0.273 19915 264 1 . 1 1 63 63 LYS N N 63 109.000 109.000 119.642 -10.642 19915 265 1 . 1 1 63 63 LYS HA H 63 4.612 4.612 3.970 0.642 19915 266 1 . 1 1 63 63 LYS CA C 63 54.221 54.221 58.762 -4.541 19915 267 1 . 1 1 63 63 LYS H H 63 9.279 9.279 8.109 1.170 19915 268 1 . 1 1 64 64 LYS N N 64 116.512 116.512 118.466 -1.954 19915 269 1 . 1 1 64 64 LYS HA H 64 4.129 4.129 4.490 -0.361 19915 270 1 . 1 1 64 64 LYS CA C 64 55.271 55.271 55.209 0.062 19915 271 1 . 1 1 64 64 LYS CB C 64 38.800 38.800 33.788 5.012 19915 272 1 . 1 1 64 64 LYS H H 64 9.248 9.248 7.427 1.821 19915 273 1 . 1 1 65 65 VAL N N 65 118.120 118.120 125.511 -7.391 19915 274 1 . 1 1 65 65 VAL HA H 65 4.648 4.648 5.218 -0.570 19915 275 1 . 1 1 65 65 VAL CA C 65 64.231 64.231 60.062 4.169 19915 276 1 . 1 1 65 65 VAL CB C 65 32.272 32.272 35.241 -2.969 19915 277 1 . 1 1 65 65 VAL H H 65 8.162 8.162 8.177 -0.015 19915 278 1 . 1 1 66 66 ARG N N 66 120.932 120.932 124.666 -3.734 19915 279 1 . 1 1 66 66 ARG HA H 66 4.763 4.763 4.854 -0.091 19915 280 1 . 1 1 66 66 ARG CA C 66 60.393 60.393 53.648 6.745 19915 281 1 . 1 1 66 66 ARG CB C 66 32.512 32.512 34.811 -2.299 19915 282 1 . 1 1 66 66 ARG H H 66 9.023 9.023 9.020 0.003 19915 283 1 . 1 1 67 67 ARG N N 67 119.710 119.710 123.830 -4.120 19915 284 1 . 1 1 67 67 ARG HA H 67 4.627 4.627 4.257 0.370 19915 285 1 . 1 1 67 67 ARG CA C 67 60.391 60.391 56.786 3.605 19915 286 1 . 1 1 67 67 ARG CB C 67 34.533 34.533 30.682 3.851 19915 287 1 . 1 1 67 67 ARG H H 67 8.798 8.798 8.621 0.177 19915 stop_ save_