data_25538 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25538 _Entry.PDB_ID 2N0W 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 25538 _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 24 24 ILE N N 24 120.669 120.669 121.688 -1.019 25538 2 1 1 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.976 0.171 25538 3 1 1 . 1 1 24 24 ILE C C 24 175.650 175.650 175.857 -0.207 25538 4 1 1 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.276 -0.934 25538 5 1 1 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.725 1.252 25538 6 1 1 . 1 1 24 24 ILE H H 24 8.122 8.122 8.239 -0.117 25538 7 1 1 . 1 1 25 25 ASN N N 25 121.886 121.886 125.423 -3.537 25538 8 1 1 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.980 -0.278 25538 9 1 1 . 1 1 25 25 ASN C C 25 174.775 174.775 173.486 1.289 25538 10 1 1 . 1 1 25 25 ASN CA C 25 53.730 53.730 51.752 1.978 25538 11 1 1 . 1 1 25 25 ASN CB C 25 39.301 39.301 41.679 -2.378 25538 12 1 1 . 1 1 25 25 ASN H H 25 8.436 8.436 8.421 0.015 25538 13 1 1 . 1 1 26 26 GLN N N 26 118.706 118.706 119.390 -0.684 25538 14 1 1 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.245 0.337 25538 15 1 1 . 1 1 26 26 GLN C C 26 175.291 175.291 174.477 0.814 25538 16 1 1 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.255 -0.615 25538 17 1 1 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.133 3.085 25538 18 1 1 . 1 1 26 26 GLN H H 26 8.208 8.208 8.519 -0.311 25538 19 1 1 . 1 1 27 27 VAL N N 27 113.658 113.658 121.436 -7.778 25538 20 1 1 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.210 0.666 25538 21 1 1 . 1 1 27 27 VAL C C 27 173.900 173.900 174.148 -0.248 25538 22 1 1 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.899 -1.783 25538 23 1 1 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.233 0.782 25538 24 1 1 . 1 1 27 27 VAL H H 27 9.401 9.401 8.223 1.178 25538 25 1 1 . 1 1 28 28 ARG N N 28 121.535 121.535 121.535 0.000 25538 26 1 1 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.808 0.649 25538 27 1 1 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.108 -0.537 25538 28 1 1 . 1 1 28 28 ARG CB C 28 33.652 33.652 31.655 1.997 25538 29 1 1 . 1 1 28 28 ARG H H 28 8.904 8.904 8.385 0.519 25538 30 1 1 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.723 0.286 25538 31 1 1 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.579 0.361 25538 32 1 1 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.556 -1.302 25538 33 1 1 . 1 1 30 30 LYS N N 30 121.258 121.258 118.576 2.682 25538 34 1 1 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.480 -0.279 25538 35 1 1 . 1 1 30 30 LYS C C 30 177.557 177.557 177.738 -0.181 25538 36 1 1 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.810 2.575 25538 37 1 1 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.087 -0.236 25538 38 1 1 . 1 1 30 30 LYS H H 30 8.477 8.477 8.259 0.218 25538 39 1 1 . 1 1 31 31 LEU N N 31 121.577 121.577 125.250 -3.673 25538 40 1 1 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.252 -0.190 25538 41 1 1 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.571 0.625 25538 42 1 1 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.446 -0.671 25538 43 1 1 . 1 1 31 31 LEU H H 31 8.599 8.599 8.948 -0.349 25538 44 1 1 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.239 -0.102 25538 45 1 1 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.071 1.414 25538 46 1 1 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.075 0.512 25538 47 1 1 . 1 1 33 33 LEU N N 33 113.299 113.299 119.176 -5.877 25538 48 1 1 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.328 -0.353 25538 49 1 1 . 1 1 33 33 LEU C C 33 177.726 177.726 177.744 -0.018 25538 50 1 1 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.477 0.663 25538 51 1 1 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.490 -0.660 25538 52 1 1 . 1 1 33 33 LEU H H 33 6.610 6.610 7.462 -0.852 25538 53 1 1 . 1 1 34 34 LEU N N 34 121.730 121.730 121.833 -0.103 25538 54 1 1 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.818 -0.422 25538 55 1 1 . 1 1 34 34 LEU C C 34 177.467 177.467 178.349 -0.882 25538 56 1 1 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.550 -0.289 25538 57 1 1 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.808 0.028 25538 58 1 1 . 1 1 34 34 LEU H H 34 8.411 8.411 8.876 -0.465 25538 59 1 1 . 1 1 35 35 LYS N N 35 114.927 114.927 117.138 -2.211 25538 60 1 1 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.898 -0.094 25538 61 1 1 . 1 1 35 35 LYS C C 35 180.207 180.207 179.087 1.120 25538 62 1 1 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.664 1.476 25538 63 1 1 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.690 0.879 25538 64 1 1 . 1 1 35 35 LYS H H 35 7.964 7.964 8.053 -0.089 25538 65 1 1 . 1 1 36 36 ILE N N 36 119.935 119.935 119.941 -0.006 25538 66 1 1 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.497 -0.194 25538 67 1 1 . 1 1 36 36 ILE C C 36 176.418 176.418 177.954 -1.536 25538 68 1 1 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.947 1.537 25538 69 1 1 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.337 1.292 25538 70 1 1 . 1 1 36 36 ILE H H 36 6.739 6.739 7.480 -0.741 25538 71 1 1 . 1 1 37 37 LEU N N 37 116.682 116.682 120.671 -3.989 25538 72 1 1 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.462 0.066 25538 73 1 1 . 1 1 37 37 LEU C C 37 180.263 180.263 179.014 1.249 25538 74 1 1 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.094 0.130 25538 75 1 1 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.658 -1.516 25538 76 1 1 . 1 1 37 37 LEU H H 37 7.633 7.633 7.555 0.078 25538 77 1 1 . 1 1 38 38 HIS N N 38 117.463 117.463 118.129 -0.666 25538 78 1 1 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.142 0.540 25538 79 1 1 . 1 1 38 38 HIS C C 38 179.936 179.936 177.869 2.067 25538 80 1 1 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.137 -1.846 25538 81 1 1 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.871 0.861 25538 82 1 1 . 1 1 38 38 HIS H H 38 8.932 8.932 8.546 0.386 25538 83 1 1 . 1 1 39 39 ALA N N 39 124.102 124.102 121.750 2.352 25538 84 1 1 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.128 0.123 25538 85 1 1 . 1 1 39 39 ALA C C 39 178.764 178.764 178.654 0.110 25538 86 1 1 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.294 0.829 25538 87 1 1 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.636 -0.525 25538 88 1 1 . 1 1 39 39 ALA H H 39 7.951 7.951 8.086 -0.135 25538 89 1 1 . 1 1 40 40 ALA N N 40 118.164 118.164 118.633 -0.469 25538 90 1 1 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.303 0.118 25538 91 1 1 . 1 1 40 40 ALA C C 40 176.261 176.261 177.573 -1.312 25538 92 1 1 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.814 -0.678 25538 93 1 1 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.264 1.849 25538 94 1 1 . 1 1 40 40 ALA H H 40 7.647 7.647 7.994 -0.347 25538 95 1 1 . 1 1 41 41 GLY N N 41 103.894 103.894 103.944 -0.050 25538 96 1 1 . 1 1 41 41 GLY C C 41 174.412 174.412 174.158 0.254 25538 97 1 1 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.755 0.099 25538 98 1 1 . 1 1 41 41 GLY H H 41 7.677 7.677 7.718 -0.041 25538 99 1 1 . 1 1 42 42 ALA N N 42 123.549 123.549 123.183 0.366 25538 100 1 1 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.403 -0.773 25538 101 1 1 . 1 1 42 42 ALA C C 42 175.956 175.956 175.280 0.676 25538 102 1 1 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.665 1.015 25538 103 1 1 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.103 -0.870 25538 104 1 1 . 1 1 42 42 ALA H H 42 7.559 7.559 7.786 -0.227 25538 105 1 1 . 1 1 43 43 GLN N N 43 117.516 117.516 116.376 1.140 25538 106 1 1 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.802 0.576 25538 107 1 1 . 1 1 43 43 GLN C C 43 175.528 175.528 175.671 -0.143 25538 108 1 1 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.095 -0.476 25538 109 1 1 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.376 1.820 25538 110 1 1 . 1 1 43 43 GLN H H 43 8.531 8.531 8.442 0.089 25538 111 1 1 . 1 1 44 44 GLY N N 44 108.084 108.084 110.077 -1.993 25538 112 1 1 . 1 1 44 44 GLY C C 44 174.073 174.073 174.413 -0.340 25538 113 1 1 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.207 -0.584 25538 114 1 1 . 1 1 44 44 GLY H H 44 8.535 8.535 8.445 0.090 25538 115 1 1 . 1 1 45 45 GLU N N 45 114.485 114.485 117.665 -3.180 25538 116 1 1 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.114 0.496 25538 117 1 1 . 1 1 45 45 GLU C C 45 174.007 174.007 174.826 -0.819 25538 118 1 1 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.860 0.990 25538 119 1 1 . 1 1 45 45 GLU CB C 45 33.035 33.035 30.333 2.702 25538 120 1 1 . 1 1 45 45 GLU H H 45 8.293 8.293 8.511 -0.218 25538 121 1 1 . 1 1 46 46 MET N N 46 115.370 115.370 121.556 -6.186 25538 122 1 1 . 1 1 46 46 MET HA H 46 5.047 5.047 4.331 0.716 25538 123 1 1 . 1 1 46 46 MET C C 46 174.637 174.637 173.701 0.936 25538 124 1 1 . 1 1 46 46 MET CA C 46 54.239 54.239 54.671 -0.432 25538 125 1 1 . 1 1 46 46 MET CB C 46 35.727 35.727 32.798 2.929 25538 126 1 1 . 1 1 46 46 MET H H 46 6.871 6.871 7.312 -0.441 25538 127 1 1 . 1 1 47 47 PHE N N 47 118.922 118.922 121.543 -2.621 25538 128 1 1 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.993 0.111 25538 129 1 1 . 1 1 47 47 PHE C C 47 175.742 175.742 174.369 1.373 25538 130 1 1 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.320 3.045 25538 131 1 1 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.504 6.378 25538 132 1 1 . 1 1 47 47 PHE H H 47 8.611 8.611 7.516 1.095 25538 133 1 1 . 1 1 48 48 THR N N 48 110.603 110.603 111.991 -1.388 25538 134 1 1 . 1 1 48 48 THR HA H 48 4.982 4.982 4.459 0.523 25538 135 1 1 . 1 1 48 48 THR C C 48 176.666 176.666 175.933 0.733 25538 136 1 1 . 1 1 48 48 THR CA C 48 61.021 61.021 60.465 0.556 25538 137 1 1 . 1 1 48 48 THR CB C 48 71.136 71.136 70.477 0.659 25538 138 1 1 . 1 1 48 48 THR H H 48 9.113 9.113 8.163 0.950 25538 139 1 1 . 1 1 49 49 VAL N N 49 121.595 121.595 122.119 -0.524 25538 140 1 1 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.631 -0.238 25538 141 1 1 . 1 1 49 49 VAL C C 49 177.726 177.726 177.260 0.466 25538 142 1 1 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.701 1.508 25538 143 1 1 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.824 -0.463 25538 144 1 1 . 1 1 49 49 VAL H H 49 9.074 9.074 8.941 0.133 25538 145 1 1 . 1 1 50 50 LYS N N 50 118.504 118.504 118.586 -0.082 25538 146 1 1 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.941 0.018 25538 147 1 1 . 1 1 50 50 LYS C C 50 180.060 180.060 178.768 1.292 25538 148 1 1 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.987 -0.067 25538 149 1 1 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.583 1.224 25538 150 1 1 . 1 1 50 50 LYS H H 50 8.131 8.131 8.329 -0.198 25538 151 1 1 . 1 1 51 51 GLU N N 51 119.547 119.547 119.523 0.024 25538 152 1 1 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.128 -0.090 25538 153 1 1 . 1 1 51 51 GLU C C 51 178.583 178.583 178.950 -0.367 25538 154 1 1 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.883 0.973 25538 155 1 1 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.471 1.931 25538 156 1 1 . 1 1 51 51 GLU H H 51 7.882 7.882 7.794 0.088 25538 157 1 1 . 1 1 52 52 VAL N N 52 119.078 119.078 121.535 -2.457 25538 158 1 1 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.650 -0.396 25538 159 1 1 . 1 1 52 52 VAL C C 52 177.546 177.546 178.499 -0.953 25538 160 1 1 . 1 1 52 52 VAL CA C 52 67.861 67.861 67.003 0.858 25538 161 1 1 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.417 -0.186 25538 162 1 1 . 1 1 52 52 VAL H H 52 8.258 8.258 8.799 -0.541 25538 163 1 1 . 1 1 53 53 MET N N 53 114.606 114.606 117.157 -2.551 25538 164 1 1 . 1 1 53 53 MET HA H 53 4.231 4.231 4.161 0.070 25538 165 1 1 . 1 1 53 53 MET C C 53 178.640 178.640 178.586 0.054 25538 166 1 1 . 1 1 53 53 MET CA C 53 57.902 57.902 57.266 0.636 25538 167 1 1 . 1 1 53 53 MET CB C 53 32.640 32.640 30.974 1.666 25538 168 1 1 . 1 1 53 53 MET H H 53 8.201 8.201 8.578 -0.377 25538 169 1 1 . 1 1 54 54 HIS N N 54 118.707 118.707 121.111 -2.404 25538 170 1 1 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.100 0.046 25538 171 1 1 . 1 1 54 54 HIS C C 54 178.531 178.531 177.456 1.075 25538 172 1 1 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.948 -0.936 25538 173 1 1 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.749 0.411 25538 174 1 1 . 1 1 54 54 HIS H H 54 8.122 8.122 7.894 0.228 25538 175 1 1 . 1 1 55 55 TYR N N 55 116.875 116.875 118.190 -1.315 25538 176 1 1 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.126 -0.258 25538 177 1 1 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.646 2.091 25538 178 1 1 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.691 1.343 25538 179 1 1 . 1 1 55 55 TYR H H 55 8.480 8.480 8.571 -0.091 25538 180 1 1 . 1 1 56 56 LEU N N 56 120.976 120.976 120.115 0.861 25538 181 1 1 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.898 -0.067 25538 182 1 1 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.869 0.494 25538 183 1 1 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.446 0.946 25538 184 1 1 . 1 1 56 56 LEU H H 56 8.452 8.452 8.435 0.017 25538 185 1 1 . 1 1 57 57 GLY N N 57 105.050 105.050 106.868 -1.818 25538 186 1 1 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.024 0.122 25538 187 1 1 . 1 1 57 57 GLY H H 57 7.710 7.710 8.415 -0.705 25538 188 1 1 . 1 1 58 58 GLN N N 58 119.017 119.017 122.049 -3.032 25538 189 1 1 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.820 0.007 25538 190 1 1 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.118 -0.440 25538 191 1 1 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.556 0.319 25538 192 1 1 . 1 1 58 58 GLN H H 58 7.649 7.649 8.002 -0.353 25538 193 1 1 . 1 1 59 59 TYR N N 59 120.995 120.995 121.391 -0.396 25538 194 1 1 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.178 -0.374 25538 195 1 1 . 1 1 59 59 TYR C C 59 176.215 176.215 177.751 -1.536 25538 196 1 1 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.078 0.487 25538 197 1 1 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.538 0.065 25538 198 1 1 . 1 1 59 59 TYR H H 59 8.500 8.500 8.465 0.035 25538 199 1 1 . 1 1 60 60 ILE N N 60 116.781 116.781 119.756 -2.975 25538 200 1 1 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.577 -0.302 25538 201 1 1 . 1 1 60 60 ILE C C 60 177.952 177.952 178.252 -0.300 25538 202 1 1 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.506 0.164 25538 203 1 1 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.885 0.673 25538 204 1 1 . 1 1 60 60 ILE H H 60 7.612 7.612 8.469 -0.857 25538 205 1 1 . 1 1 61 61 MET N N 61 115.626 115.626 118.252 -2.626 25538 206 1 1 . 1 1 61 61 MET HA H 61 4.529 4.529 4.174 0.355 25538 207 1 1 . 1 1 61 61 MET C C 61 180.579 180.579 178.240 2.339 25538 208 1 1 . 1 1 61 61 MET CA C 61 57.662 57.662 58.345 -0.683 25538 209 1 1 . 1 1 61 61 MET CB C 61 31.449 31.449 32.164 -0.715 25538 210 1 1 . 1 1 61 61 MET H H 61 7.717 7.717 8.031 -0.314 25538 211 1 1 . 1 1 62 62 VAL N N 62 120.907 120.907 118.291 2.616 25538 212 1 1 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.756 0.073 25538 213 1 1 . 1 1 62 62 VAL C C 62 178.786 178.786 177.711 1.075 25538 214 1 1 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.145 0.856 25538 215 1 1 . 1 1 62 62 VAL CB C 62 31.983 31.983 32.016 -0.033 25538 216 1 1 . 1 1 62 62 VAL H H 62 9.021 9.021 8.179 0.842 25538 217 1 1 . 1 1 63 63 LYS N N 63 116.704 116.704 117.153 -0.449 25538 218 1 1 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.257 -0.200 25538 219 1 1 . 1 1 63 63 LYS C C 63 174.784 174.784 175.825 -1.041 25538 220 1 1 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.219 0.864 25538 221 1 1 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.370 -1.038 25538 222 1 1 . 1 1 63 63 LYS H H 63 7.824 7.824 7.958 -0.134 25538 223 1 1 . 1 1 64 64 GLN N N 64 115.371 115.371 115.478 -0.107 25538 224 1 1 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.215 -0.594 25538 225 1 1 . 1 1 64 64 GLN C C 64 175.550 175.550 175.477 0.073 25538 226 1 1 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.269 0.710 25538 227 1 1 . 1 1 64 64 GLN CB C 64 26.248 26.248 26.073 0.175 25538 228 1 1 . 1 1 64 64 GLN H H 64 7.653 7.653 8.001 -0.348 25538 229 1 1 . 1 1 65 65 LEU N N 65 115.332 115.332 118.709 -3.377 25538 230 1 1 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.708 -0.273 25538 231 1 1 . 1 1 65 65 LEU C C 65 175.979 175.979 175.790 0.189 25538 232 1 1 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.400 0.201 25538 233 1 1 . 1 1 65 65 LEU CB C 65 41.936 41.936 41.895 0.041 25538 234 1 1 . 1 1 65 65 LEU H H 65 8.059 8.059 8.107 -0.048 25538 235 1 1 . 1 1 66 66 TYR N N 66 113.240 113.240 114.375 -1.135 25538 236 1 1 . 1 1 66 66 TYR HA H 66 5.260 5.260 4.954 0.306 25538 237 1 1 . 1 1 66 66 TYR C C 66 174.107 174.107 173.508 0.599 25538 238 1 1 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.257 0.417 25538 239 1 1 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.922 -1.163 25538 240 1 1 . 1 1 66 66 TYR H H 66 6.845 6.845 7.130 -0.285 25538 241 1 1 . 1 1 67 67 ASP N N 67 122.255 122.255 120.831 1.424 25538 242 1 1 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.863 -0.428 25538 243 1 1 . 1 1 67 67 ASP C C 67 176.779 176.779 176.755 0.024 25538 244 1 1 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.692 1.094 25538 245 1 1 . 1 1 67 67 ASP CB C 67 43.359 43.359 44.023 -0.664 25538 246 1 1 . 1 1 67 67 ASP H H 67 8.341 8.341 8.289 0.052 25538 247 1 1 . 1 1 68 68 GLN N N 68 123.090 123.090 123.575 -0.485 25538 248 1 1 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.173 -0.292 25538 249 1 1 . 1 1 68 68 GLN C C 68 177.122 177.122 176.696 0.426 25538 250 1 1 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.061 0.828 25538 251 1 1 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.680 0.385 25538 252 1 1 . 1 1 68 68 GLN H H 68 8.552 8.552 8.675 -0.123 25538 253 1 1 . 1 1 69 69 GLN N N 69 115.295 115.295 118.823 -3.528 25538 254 1 1 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.430 -0.091 25538 255 1 1 . 1 1 69 69 GLN C C 69 176.272 176.272 177.002 -0.730 25538 256 1 1 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.709 0.226 25538 257 1 1 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.353 -0.437 25538 258 1 1 . 1 1 69 69 GLN H H 69 8.347 8.347 8.534 -0.187 25538 259 1 1 . 1 1 70 70 GLU N N 70 122.341 122.341 121.720 0.621 25538 260 1 1 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.513 -0.022 25538 261 1 1 . 1 1 70 70 GLU C C 70 175.832 175.832 176.441 -0.609 25538 262 1 1 . 1 1 70 70 GLU CA C 70 55.086 55.086 54.971 0.115 25538 263 1 1 . 1 1 70 70 GLU CB C 70 29.538 29.538 27.788 1.750 25538 264 1 1 . 1 1 70 70 GLU H H 70 8.237 8.237 8.683 -0.446 25538 265 1 1 . 1 1 71 71 GLN N N 71 119.185 119.185 118.591 0.594 25538 266 1 1 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.315 0.186 25538 267 1 1 . 1 1 71 71 GLN C C 71 173.848 173.848 176.275 -2.427 25538 268 1 1 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.100 1.700 25538 269 1 1 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.964 -0.782 25538 270 1 1 . 1 1 71 71 GLN H H 71 8.206 8.206 7.674 0.532 25538 271 1 1 . 1 1 72 72 HIS N N 72 109.549 109.549 111.806 -2.257 25538 272 1 1 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.547 -0.367 25538 273 1 1 . 1 1 72 72 HIS C C 72 175.790 175.790 174.219 1.571 25538 274 1 1 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.270 1.011 25538 275 1 1 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.600 1.475 25538 276 1 1 . 1 1 72 72 HIS H H 72 7.383 7.383 8.165 -0.782 25538 277 1 1 . 1 1 73 73 MET N N 73 119.174 119.174 120.250 -1.076 25538 278 1 1 . 1 1 73 73 MET HA H 73 4.570 4.570 4.763 -0.193 25538 279 1 1 . 1 1 73 73 MET C C 73 174.242 174.242 173.757 0.485 25538 280 1 1 . 1 1 73 73 MET CA C 73 53.027 53.027 53.747 -0.720 25538 281 1 1 . 1 1 73 73 MET CB C 73 31.709 31.709 35.313 -3.604 25538 282 1 1 . 1 1 73 73 MET H H 73 7.655 7.655 7.547 0.108 25538 283 1 1 . 1 1 74 74 VAL N N 74 122.522 122.522 124.718 -2.196 25538 284 1 1 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.201 -0.278 25538 285 1 1 . 1 1 74 74 VAL C C 74 174.851 174.851 174.260 0.591 25538 286 1 1 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.625 0.769 25538 287 1 1 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.285 0.502 25538 288 1 1 . 1 1 74 74 VAL H H 74 8.443 8.443 8.648 -0.205 25538 289 1 1 . 1 1 75 75 TYR N N 75 125.773 125.773 125.597 0.176 25538 290 1 1 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.076 -0.324 25538 291 1 1 . 1 1 75 75 TYR C C 75 174.923 174.923 176.226 -1.303 25538 292 1 1 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.155 0.657 25538 293 1 1 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.238 0.395 25538 294 1 1 . 1 1 75 75 TYR H H 75 8.256 8.256 8.996 -0.740 25538 295 1 1 . 1 1 76 76 CYS N N 76 116.702 116.702 118.940 -2.238 25538 296 1 1 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.511 0.236 25538 297 1 1 . 1 1 76 76 CYS C C 76 174.231 174.231 176.814 -2.583 25538 298 1 1 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.181 -3.078 25538 299 1 1 . 1 1 76 76 CYS CB C 76 29.589 29.589 28.412 1.177 25538 300 1 1 . 1 1 76 76 CYS H H 76 8.266 8.266 8.299 -0.033 25538 301 1 1 . 1 1 77 77 GLY N N 77 111.675 111.675 110.068 1.607 25538 302 1 1 . 1 1 77 77 GLY C C 77 174.662 174.662 174.724 -0.062 25538 303 1 1 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.373 0.776 25538 304 1 1 . 1 1 77 77 GLY H H 77 8.483 8.483 8.581 -0.098 25538 305 1 1 . 1 1 78 78 GLY N N 78 113.022 113.022 107.238 5.784 25538 306 1 1 . 1 1 78 78 GLY C C 78 172.811 172.811 173.938 -1.127 25538 307 1 1 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.573 1.179 25538 308 1 1 . 1 1 78 78 GLY H H 78 8.892 8.892 7.944 0.948 25538 309 1 1 . 1 1 79 79 ASP N N 79 119.457 119.457 121.104 -1.647 25538 310 1 1 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.560 0.332 25538 311 1 1 . 1 1 79 79 ASP C C 79 176.302 176.302 177.350 -1.048 25538 312 1 1 . 1 1 79 79 ASP CA C 79 53.047 53.047 55.134 -2.087 25538 313 1 1 . 1 1 79 79 ASP CB C 79 47.271 47.271 42.739 4.532 25538 314 1 1 . 1 1 79 79 ASP H H 79 7.795 7.795 7.893 -0.098 25538 315 1 1 . 1 1 80 80 LEU N N 80 128.421 128.421 127.243 1.178 25538 316 1 1 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.061 0.003 25538 317 1 1 . 1 1 80 80 LEU C C 80 179.059 179.059 177.833 1.226 25538 318 1 1 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.875 0.648 25538 319 1 1 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.199 0.448 25538 320 1 1 . 1 1 80 80 LEU H H 80 8.549 8.549 8.940 -0.391 25538 321 1 1 . 1 1 81 81 LEU N N 81 118.678 118.678 119.801 -1.123 25538 322 1 1 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.974 -0.107 25538 323 1 1 . 1 1 81 81 LEU C C 81 178.542 178.542 178.543 -0.001 25538 324 1 1 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.919 -0.393 25538 325 1 1 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.024 1.625 25538 326 1 1 . 1 1 81 81 LEU H H 81 9.974 9.974 8.907 1.067 25538 327 1 1 . 1 1 82 82 GLY N N 82 105.642 105.642 105.771 -0.129 25538 328 1 1 . 1 1 82 82 GLY C C 82 176.907 176.907 176.546 0.361 25538 329 1 1 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.249 0.744 25538 330 1 1 . 1 1 82 82 GLY H H 82 7.543 7.543 8.547 -1.004 25538 331 1 1 . 1 1 83 83 GLU N N 83 121.762 121.762 121.954 -0.192 25538 332 1 1 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.103 -0.121 25538 333 1 1 . 1 1 83 83 GLU C C 83 179.215 179.215 179.237 -0.022 25538 334 1 1 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.280 -0.119 25538 335 1 1 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.408 0.063 25538 336 1 1 . 1 1 83 83 GLU H H 83 7.537 7.537 8.380 -0.843 25538 337 1 1 . 1 1 84 84 LEU N N 84 118.478 118.478 120.060 -1.582 25538 338 1 1 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.114 -0.090 25538 339 1 1 . 1 1 84 84 LEU C C 84 178.842 178.842 179.229 -0.387 25538 340 1 1 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.311 0.164 25538 341 1 1 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.868 0.524 25538 342 1 1 . 1 1 84 84 LEU H H 84 7.717 7.717 8.088 -0.371 25538 343 1 1 . 1 1 85 85 LEU N N 85 115.268 115.268 113.968 1.300 25538 344 1 1 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.206 -0.429 25538 345 1 1 . 1 1 85 85 LEU C C 85 177.773 177.773 177.827 -0.054 25538 346 1 1 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.242 0.133 25538 347 1 1 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.250 1.643 25538 348 1 1 . 1 1 85 85 LEU H H 85 8.091 8.091 8.192 -0.101 25538 349 1 1 . 1 1 86 86 GLY N N 86 107.339 107.339 106.866 0.473 25538 350 1 1 . 1 1 86 86 GLY C C 86 174.143 174.143 174.394 -0.251 25538 351 1 1 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.134 1.181 25538 352 1 1 . 1 1 86 86 GLY H H 86 7.993 7.993 8.040 -0.047 25538 353 1 1 . 1 1 87 87 ARG N N 87 113.292 113.292 120.130 -6.838 25538 354 1 1 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.623 0.031 25538 355 1 1 . 1 1 87 87 ARG C C 87 174.720 174.720 175.380 -0.660 25538 356 1 1 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.883 -0.723 25538 357 1 1 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.371 2.085 25538 358 1 1 . 1 1 87 87 ARG H H 87 7.407 7.407 7.512 -0.105 25538 359 1 1 . 1 1 88 88 GLN N N 88 116.042 116.042 121.666 -5.624 25538 360 1 1 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.419 -0.373 25538 361 1 1 . 1 1 88 88 GLN C C 88 175.946 175.946 175.175 0.771 25538 362 1 1 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.063 0.112 25538 363 1 1 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.450 0.340 25538 364 1 1 . 1 1 88 88 GLN H H 88 8.660 8.660 8.721 -0.061 25538 365 1 1 . 1 1 89 89 SER N N 89 110.533 110.533 110.864 -0.331 25538 366 1 1 . 1 1 89 89 SER HA H 89 5.431 5.431 5.038 0.393 25538 367 1 1 . 1 1 89 89 SER C C 89 173.062 173.062 173.019 0.043 25538 368 1 1 . 1 1 89 89 SER CA C 89 57.019 57.019 56.598 0.421 25538 369 1 1 . 1 1 89 89 SER CB C 89 66.577 66.577 65.808 0.769 25538 370 1 1 . 1 1 89 89 SER H H 89 7.620 7.620 7.525 0.095 25538 371 1 1 . 1 1 90 90 PHE N N 90 115.219 115.219 117.860 -2.641 25538 372 1 1 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.893 -0.198 25538 373 1 1 . 1 1 90 90 PHE C C 90 175.233 175.233 172.725 2.508 25538 374 1 1 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.442 0.653 25538 375 1 1 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.544 -0.198 25538 376 1 1 . 1 1 90 90 PHE H H 90 8.557 8.557 7.846 0.711 25538 377 1 1 . 1 1 91 91 SER N N 91 113.681 113.681 115.065 -1.384 25538 378 1 1 . 1 1 91 91 SER HA H 91 5.391 5.391 5.026 0.365 25538 379 1 1 . 1 1 91 91 SER CA C 91 54.564 54.564 55.187 -0.623 25538 380 1 1 . 1 1 91 91 SER CB C 91 65.366 65.366 65.347 0.019 25538 381 1 1 . 1 1 91 91 SER H H 91 9.006 9.006 8.539 0.467 25538 382 1 1 . 1 1 92 92 VAL N N 92 121.388 121.388 124.466 -3.078 25538 383 1 1 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.924 0.019 25538 384 1 1 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.227 -1.032 25538 385 1 1 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.707 -0.476 25538 386 1 1 . 1 1 92 92 VAL H H 92 8.983 8.983 9.146 -0.163 25538 387 1 1 . 1 1 93 93 LYS N N 93 116.161 116.161 116.922 -0.761 25538 388 1 1 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.371 -0.388 25538 389 1 1 . 1 1 93 93 LYS C C 93 177.088 177.088 176.129 0.959 25538 390 1 1 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.608 0.573 25538 391 1 1 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.880 -0.756 25538 392 1 1 . 1 1 93 93 LYS H H 93 8.078 8.078 7.587 0.491 25538 393 1 1 . 1 1 94 94 ASP N N 94 115.406 115.406 119.895 -4.489 25538 394 1 1 . 1 1 94 94 ASP HA H 94 4.949 4.949 4.891 0.058 25538 395 1 1 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.484 0.073 25538 396 1 1 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.051 0.394 25538 397 1 1 . 1 1 94 94 ASP H H 94 7.385 7.385 7.607 -0.222 25538 398 1 1 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.921 -0.484 25538 399 1 1 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.079 0.810 25538 400 1 1 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.169 1.591 25538 401 1 1 . 1 1 96 96 SER N N 96 118.819 118.819 117.506 1.313 25538 402 1 1 . 1 1 96 96 SER HA H 96 4.220 4.220 4.214 0.006 25538 403 1 1 . 1 1 96 96 SER CA C 96 64.406 64.406 63.583 0.823 25538 404 1 1 . 1 1 96 96 SER CB C 96 61.862 61.862 61.691 0.170 25538 405 1 1 . 1 1 96 96 SER H H 96 8.104 8.104 7.988 0.116 25538 406 1 1 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.345 0.004 25538 407 1 1 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.142 0.769 25538 408 1 1 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.364 0.131 25538 409 1 1 . 1 1 98 98 LEU N N 98 118.063 118.063 121.240 -3.177 25538 410 1 1 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.804 -0.201 25538 411 1 1 . 1 1 98 98 LEU CA C 98 57.101 57.101 58.093 -0.992 25538 412 1 1 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.681 -0.285 25538 413 1 1 . 1 1 98 98 LEU H H 98 7.087 7.087 7.469 -0.382 25538 414 1 1 . 1 1 99 99 TYR N N 99 118.063 118.063 118.610 -0.547 25538 415 1 1 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.018 0.126 25538 416 1 1 . 1 1 99 99 TYR C C 99 178.914 178.914 177.972 0.942 25538 417 1 1 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.293 -1.025 25538 418 1 1 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.890 -0.922 25538 419 1 1 . 1 1 99 99 TYR H H 99 7.594 7.594 8.682 -1.088 25538 420 1 1 . 1 1 100 100 ASP N N 100 119.682 119.682 120.013 -0.331 25538 421 1 1 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.312 0.014 25538 422 1 1 . 1 1 100 100 ASP C C 100 177.737 177.737 178.325 -0.588 25538 423 1 1 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.410 0.465 25538 424 1 1 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.907 0.181 25538 425 1 1 . 1 1 100 100 ASP H H 100 8.315 8.315 8.226 0.089 25538 426 1 1 . 1 1 101 101 MET N N 101 118.784 118.784 117.956 0.828 25538 427 1 1 . 1 1 101 101 MET HA H 101 3.969 3.969 4.050 -0.081 25538 428 1 1 . 1 1 101 101 MET C C 101 180.080 180.080 177.996 2.084 25538 429 1 1 . 1 1 101 101 MET CA C 101 59.420 59.420 58.970 0.450 25538 430 1 1 . 1 1 101 101 MET CB C 101 31.642 31.642 32.450 -0.808 25538 431 1 1 . 1 1 101 101 MET H H 101 7.245 7.245 7.824 -0.579 25538 432 1 1 . 1 1 102 102 LEU N N 102 121.572 121.572 120.460 1.112 25538 433 1 1 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.811 -0.110 25538 434 1 1 . 1 1 102 102 LEU C C 102 178.566 178.566 179.312 -0.746 25538 435 1 1 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.643 1.100 25538 436 1 1 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.333 0.113 25538 437 1 1 . 1 1 102 102 LEU H H 102 8.471 8.471 8.216 0.255 25538 438 1 1 . 1 1 103 103 ARG N N 103 117.180 117.180 115.748 1.432 25538 439 1 1 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.078 -0.108 25538 440 1 1 . 1 1 103 103 ARG C C 103 178.818 178.818 177.704 1.114 25538 441 1 1 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.754 0.749 25538 442 1 1 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.174 0.042 25538 443 1 1 . 1 1 103 103 ARG H H 103 7.933 7.933 8.079 -0.146 25538 444 1 1 . 1 1 104 104 LYS N N 104 114.206 114.206 115.174 -0.968 25538 445 1 1 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.409 -0.193 25538 446 1 1 . 1 1 104 104 LYS C C 104 177.556 177.556 176.257 1.299 25538 447 1 1 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.602 1.151 25538 448 1 1 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.824 1.276 25538 449 1 1 . 1 1 104 104 LYS H H 104 7.171 7.171 7.489 -0.318 25538 450 1 1 . 1 1 105 105 ASN N N 105 114.097 114.097 116.692 -2.595 25538 451 1 1 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.798 -0.067 25538 452 1 1 . 1 1 105 105 ASN C C 105 172.822 172.822 175.588 -2.766 25538 453 1 1 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.534 0.309 25538 454 1 1 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.894 1.447 25538 455 1 1 . 1 1 105 105 ASN H H 105 7.661 7.661 7.780 -0.119 25538 456 1 1 . 1 1 106 106 LEU N N 106 118.656 118.656 119.406 -0.750 25538 457 1 1 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.533 0.138 25538 458 1 1 . 1 1 106 106 LEU C C 106 175.658 175.658 178.762 -3.104 25538 459 1 1 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.231 -1.073 25538 460 1 1 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.932 0.678 25538 461 1 1 . 1 1 106 106 LEU H H 106 7.440 7.440 8.211 -0.771 25538 462 1 1 . 1 1 107 107 VAL N N 107 122.765 122.765 117.362 5.403 25538 463 1 1 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.106 0.108 25538 464 1 1 . 1 1 107 107 VAL C C 107 176.054 176.054 175.086 0.968 25538 465 1 1 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.389 -0.245 25538 466 1 1 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.647 3.909 25538 467 1 1 . 1 1 107 107 VAL H H 107 8.158 8.158 8.108 0.050 25538 468 1 1 . 1 1 108 108 THR N N 108 120.921 120.921 114.280 6.641 25538 469 1 1 . 1 1 108 108 THR HA H 108 4.332 4.332 3.926 0.406 25538 470 1 1 . 1 1 108 108 THR C C 108 174.216 174.216 173.726 0.490 25538 471 1 1 . 1 1 108 108 THR CA C 108 62.726 62.726 63.334 -0.608 25538 472 1 1 . 1 1 108 108 THR CB C 108 69.777 69.777 67.886 1.891 25538 473 1 1 . 1 1 108 108 THR H H 108 8.524 8.524 7.836 0.688 25538 474 1 1 . 1 1 109 109 LEU N N 109 125.518 125.518 122.246 3.272 25538 475 1 1 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.397 -0.042 25538 476 1 1 . 1 1 109 109 LEU C C 109 176.523 176.523 176.181 0.342 25538 477 1 1 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.482 0.565 25538 478 1 1 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.516 1.075 25538 479 1 1 . 1 1 109 109 LEU H H 109 8.312 8.312 8.057 0.255 25538 480 1 1 . 1 1 110 110 ALA N N 110 125.099 125.099 127.358 -2.259 25538 481 1 1 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.695 -0.329 25538 482 1 1 . 1 1 110 110 ALA C C 110 176.847 176.847 176.086 0.761 25538 483 1 1 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.469 1.159 25538 484 1 1 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.297 -1.591 25538 485 1 1 . 1 1 110 110 ALA H H 110 8.257 8.257 8.046 0.211 25538 486 1 2 . 1 1 24 24 ILE N N 24 120.669 120.669 121.274 -0.605 25538 487 1 2 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.953 0.194 25538 488 1 2 . 1 1 24 24 ILE C C 24 175.650 175.650 175.993 -0.343 25538 489 1 2 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.648 -1.306 25538 490 1 2 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.864 1.113 25538 491 1 2 . 1 1 24 24 ILE H H 24 8.122 8.122 8.611 -0.489 25538 492 1 2 . 1 1 25 25 ASN N N 25 121.886 121.886 123.760 -1.874 25538 493 1 2 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.779 -0.077 25538 494 1 2 . 1 1 25 25 ASN C C 25 174.775 174.775 174.118 0.657 25538 495 1 2 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.144 0.586 25538 496 1 2 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.093 -0.792 25538 497 1 2 . 1 1 25 25 ASN H H 25 8.436 8.436 8.953 -0.517 25538 498 1 2 . 1 1 26 26 GLN N N 26 118.706 118.706 119.523 -0.817 25538 499 1 2 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.577 0.005 25538 500 1 2 . 1 1 26 26 GLN C C 26 175.291 175.291 174.084 1.207 25538 501 1 2 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.505 0.135 25538 502 1 2 . 1 1 26 26 GLN CB C 26 32.218 32.218 31.422 0.796 25538 503 1 2 . 1 1 26 26 GLN H H 26 8.208 8.208 7.893 0.315 25538 504 1 2 . 1 1 27 27 VAL N N 27 113.658 113.658 122.353 -8.695 25538 505 1 2 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.471 0.405 25538 506 1 2 . 1 1 27 27 VAL C C 27 173.900 173.900 173.934 -0.034 25538 507 1 2 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.849 -2.733 25538 508 1 2 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.724 0.290 25538 509 1 2 . 1 1 27 27 VAL H H 27 9.401 9.401 7.986 1.415 25538 510 1 2 . 1 1 28 28 ARG N N 28 121.535 121.535 122.957 -1.422 25538 511 1 2 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.797 0.660 25538 512 1 2 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.228 -0.657 25538 513 1 2 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.062 1.590 25538 514 1 2 . 1 1 28 28 ARG H H 28 8.904 8.904 8.462 0.442 25538 515 1 2 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.929 0.080 25538 516 1 2 . 1 1 29 29 PRO CA C 29 61.940 61.940 62.224 -0.284 25538 517 1 2 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.529 -1.274 25538 518 1 2 . 1 1 30 30 LYS N N 30 121.258 121.258 120.648 0.610 25538 519 1 2 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.483 -0.282 25538 520 1 2 . 1 1 30 30 LYS C C 30 177.557 177.557 178.018 -0.461 25538 521 1 2 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.098 2.287 25538 522 1 2 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.448 -0.598 25538 523 1 2 . 1 1 30 30 LYS H H 30 8.477 8.477 8.647 -0.170 25538 524 1 2 . 1 1 31 31 LEU N N 31 121.577 121.577 127.185 -5.608 25538 525 1 2 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.150 -0.088 25538 526 1 2 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.041 1.155 25538 527 1 2 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.140 -0.365 25538 528 1 2 . 1 1 31 31 LEU H H 31 8.599 8.599 8.916 -0.317 25538 529 1 2 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.268 -0.131 25538 530 1 2 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.147 1.338 25538 531 1 2 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.127 0.459 25538 532 1 2 . 1 1 33 33 LEU N N 33 113.299 113.299 117.030 -3.731 25538 533 1 2 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.407 -0.432 25538 534 1 2 . 1 1 33 33 LEU C C 33 177.726 177.726 178.257 -0.531 25538 535 1 2 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.504 0.636 25538 536 1 2 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.815 -0.985 25538 537 1 2 . 1 1 33 33 LEU H H 33 6.610 6.610 7.481 -0.871 25538 538 1 2 . 1 1 34 34 LEU N N 34 121.730 121.730 122.762 -1.032 25538 539 1 2 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.869 -0.473 25538 540 1 2 . 1 1 34 34 LEU C C 34 177.467 177.467 178.230 -0.763 25538 541 1 2 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.849 -0.588 25538 542 1 2 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.810 0.026 25538 543 1 2 . 1 1 34 34 LEU H H 34 8.411 8.411 8.848 -0.437 25538 544 1 2 . 1 1 35 35 LYS N N 35 114.927 114.927 117.523 -2.596 25538 545 1 2 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.918 -0.114 25538 546 1 2 . 1 1 35 35 LYS C C 35 180.207 180.207 179.052 1.155 25538 547 1 2 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.883 1.257 25538 548 1 2 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.621 0.948 25538 549 1 2 . 1 1 35 35 LYS H H 35 7.964 7.964 7.976 -0.012 25538 550 1 2 . 1 1 36 36 ILE N N 36 119.935 119.935 119.985 -0.050 25538 551 1 2 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.519 -0.216 25538 552 1 2 . 1 1 36 36 ILE C C 36 176.418 176.418 178.074 -1.656 25538 553 1 2 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.819 1.665 25538 554 1 2 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.330 1.299 25538 555 1 2 . 1 1 36 36 ILE H H 36 6.739 6.739 7.183 -0.444 25538 556 1 2 . 1 1 37 37 LEU N N 37 116.682 116.682 120.909 -4.227 25538 557 1 2 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.484 0.044 25538 558 1 2 . 1 1 37 37 LEU C C 37 180.263 180.263 179.121 1.142 25538 559 1 2 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.351 -0.126 25538 560 1 2 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.849 -1.707 25538 561 1 2 . 1 1 37 37 LEU H H 37 7.633 7.633 8.196 -0.563 25538 562 1 2 . 1 1 38 38 HIS N N 38 117.463 117.463 117.611 -0.148 25538 563 1 2 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.140 0.542 25538 564 1 2 . 1 1 38 38 HIS C C 38 179.936 179.936 177.864 2.072 25538 565 1 2 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.036 -1.745 25538 566 1 2 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.873 0.859 25538 567 1 2 . 1 1 38 38 HIS H H 38 8.932 8.932 8.729 0.203 25538 568 1 2 . 1 1 39 39 ALA N N 39 124.102 124.102 121.821 2.281 25538 569 1 2 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.130 0.121 25538 570 1 2 . 1 1 39 39 ALA C C 39 178.764 178.764 178.625 0.139 25538 571 1 2 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.178 0.945 25538 572 1 2 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.574 -0.463 25538 573 1 2 . 1 1 39 39 ALA H H 39 7.951 7.951 8.085 -0.134 25538 574 1 2 . 1 1 40 40 ALA N N 40 118.164 118.164 118.962 -0.798 25538 575 1 2 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.320 0.101 25538 576 1 2 . 1 1 40 40 ALA C C 40 176.261 176.261 177.772 -1.511 25538 577 1 2 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.916 -0.780 25538 578 1 2 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.310 1.802 25538 579 1 2 . 1 1 40 40 ALA H H 40 7.647 7.647 8.085 -0.438 25538 580 1 2 . 1 1 41 41 GLY N N 41 103.894 103.894 104.153 -0.259 25538 581 1 2 . 1 1 41 41 GLY C C 41 174.412 174.412 174.178 0.234 25538 582 1 2 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.670 0.184 25538 583 1 2 . 1 1 41 41 GLY H H 41 7.677 7.677 7.679 -0.002 25538 584 1 2 . 1 1 42 42 ALA N N 42 123.549 123.549 122.457 1.092 25538 585 1 2 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.208 -0.578 25538 586 1 2 . 1 1 42 42 ALA C C 42 175.956 175.956 175.497 0.459 25538 587 1 2 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.279 1.401 25538 588 1 2 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.240 -1.007 25538 589 1 2 . 1 1 42 42 ALA H H 42 7.559 7.559 7.602 -0.043 25538 590 1 2 . 1 1 43 43 GLN N N 43 117.516 117.516 116.581 0.935 25538 591 1 2 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.609 0.769 25538 592 1 2 . 1 1 43 43 GLN C C 43 175.528 175.528 175.609 -0.081 25538 593 1 2 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.468 -0.849 25538 594 1 2 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.262 0.934 25538 595 1 2 . 1 1 43 43 GLN H H 43 8.531 8.531 8.227 0.304 25538 596 1 2 . 1 1 44 44 GLY N N 44 108.084 108.084 110.626 -2.542 25538 597 1 2 . 1 1 44 44 GLY C C 44 174.073 174.073 173.773 0.300 25538 598 1 2 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.568 -0.945 25538 599 1 2 . 1 1 44 44 GLY H H 44 8.535 8.535 8.643 -0.108 25538 600 1 2 . 1 1 45 45 GLU N N 45 114.485 114.485 114.385 0.100 25538 601 1 2 . 1 1 45 45 GLU HA H 45 4.610 4.610 2.705 1.905 25538 602 1 2 . 1 1 45 45 GLU C C 45 174.007 174.007 174.447 -0.440 25538 603 1 2 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.617 0.233 25538 604 1 2 . 1 1 45 45 GLU CB C 45 33.035 33.035 27.826 5.209 25538 605 1 2 . 1 1 45 45 GLU H H 45 8.293 8.293 7.822 0.471 25538 606 1 2 . 1 1 46 46 MET N N 46 115.370 115.370 116.794 -1.424 25538 607 1 2 . 1 1 46 46 MET HA H 46 5.047 5.047 4.563 0.484 25538 608 1 2 . 1 1 46 46 MET C C 46 174.637 174.637 173.873 0.764 25538 609 1 2 . 1 1 46 46 MET CA C 46 54.239 54.239 54.075 0.164 25538 610 1 2 . 1 1 46 46 MET CB C 46 35.727 35.727 33.135 2.592 25538 611 1 2 . 1 1 46 46 MET H H 46 6.871 6.871 7.502 -0.631 25538 612 1 2 . 1 1 47 47 PHE N N 47 118.922 118.922 118.657 0.265 25538 613 1 2 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.901 0.203 25538 614 1 2 . 1 1 47 47 PHE C C 47 175.742 175.742 175.313 0.429 25538 615 1 2 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.673 2.692 25538 616 1 2 . 1 1 47 47 PHE CB C 47 46.882 46.882 38.463 8.419 25538 617 1 2 . 1 1 47 47 PHE H H 47 8.611 8.611 6.935 1.676 25538 618 1 2 . 1 1 48 48 THR N N 48 110.603 110.603 113.496 -2.893 25538 619 1 2 . 1 1 48 48 THR HA H 48 4.982 4.982 4.507 0.475 25538 620 1 2 . 1 1 48 48 THR C C 48 176.666 176.666 175.657 1.009 25538 621 1 2 . 1 1 48 48 THR CA C 48 61.021 61.021 60.179 0.841 25538 622 1 2 . 1 1 48 48 THR CB C 48 71.136 71.136 71.011 0.125 25538 623 1 2 . 1 1 48 48 THR H H 48 9.113 9.113 8.140 0.973 25538 624 1 2 . 1 1 49 49 VAL N N 49 121.595 121.595 121.939 -0.344 25538 625 1 2 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.699 -0.306 25538 626 1 2 . 1 1 49 49 VAL C C 49 177.726 177.726 177.178 0.548 25538 627 1 2 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.509 1.700 25538 628 1 2 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.748 -0.387 25538 629 1 2 . 1 1 49 49 VAL H H 49 9.074 9.074 8.988 0.086 25538 630 1 2 . 1 1 50 50 LYS N N 50 118.504 118.504 117.109 1.395 25538 631 1 2 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.987 -0.028 25538 632 1 2 . 1 1 50 50 LYS C C 50 180.060 180.060 178.519 1.541 25538 633 1 2 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.425 0.494 25538 634 1 2 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.364 1.442 25538 635 1 2 . 1 1 50 50 LYS H H 50 8.131 8.131 8.372 -0.241 25538 636 1 2 . 1 1 51 51 GLU N N 51 119.547 119.547 120.113 -0.566 25538 637 1 2 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.264 -0.226 25538 638 1 2 . 1 1 51 51 GLU C C 51 178.583 178.583 178.850 -0.267 25538 639 1 2 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.477 1.379 25538 640 1 2 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.827 1.575 25538 641 1 2 . 1 1 51 51 GLU H H 51 7.882 7.882 7.836 0.046 25538 642 1 2 . 1 1 52 52 VAL N N 52 119.078 119.078 121.790 -2.712 25538 643 1 2 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.629 -0.375 25538 644 1 2 . 1 1 52 52 VAL C C 52 177.546 177.546 178.497 -0.951 25538 645 1 2 . 1 1 52 52 VAL CA C 52 67.861 67.861 67.075 0.786 25538 646 1 2 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.468 -0.237 25538 647 1 2 . 1 1 52 52 VAL H H 52 8.258 8.258 8.856 -0.598 25538 648 1 2 . 1 1 53 53 MET N N 53 114.606 114.606 116.707 -2.101 25538 649 1 2 . 1 1 53 53 MET HA H 53 4.231 4.231 4.181 0.050 25538 650 1 2 . 1 1 53 53 MET C C 53 178.640 178.640 178.511 0.129 25538 651 1 2 . 1 1 53 53 MET CA C 53 57.902 57.902 57.200 0.702 25538 652 1 2 . 1 1 53 53 MET CB C 53 32.640 32.640 30.779 1.861 25538 653 1 2 . 1 1 53 53 MET H H 53 8.201 8.201 8.628 -0.427 25538 654 1 2 . 1 1 54 54 HIS N N 54 118.707 118.707 120.898 -2.191 25538 655 1 2 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.129 0.017 25538 656 1 2 . 1 1 54 54 HIS C C 54 178.531 178.531 177.542 0.989 25538 657 1 2 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.432 -0.420 25538 658 1 2 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.601 0.559 25538 659 1 2 . 1 1 54 54 HIS H H 54 8.122 8.122 7.658 0.464 25538 660 1 2 . 1 1 55 55 TYR N N 55 116.875 116.875 118.061 -1.186 25538 661 1 2 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.086 -0.218 25538 662 1 2 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.661 2.076 25538 663 1 2 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.650 1.384 25538 664 1 2 . 1 1 55 55 TYR H H 55 8.480 8.480 8.357 0.123 25538 665 1 2 . 1 1 56 56 LEU N N 56 120.976 120.976 120.180 0.796 25538 666 1 2 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.900 -0.069 25538 667 1 2 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.877 0.486 25538 668 1 2 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.556 0.836 25538 669 1 2 . 1 1 56 56 LEU H H 56 8.452 8.452 8.355 0.097 25538 670 1 2 . 1 1 57 57 GLY N N 57 105.050 105.050 106.638 -1.588 25538 671 1 2 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.082 0.064 25538 672 1 2 . 1 1 57 57 GLY H H 57 7.710 7.710 8.623 -0.913 25538 673 1 2 . 1 1 58 58 GLN N N 58 119.017 119.017 122.234 -3.217 25538 674 1 2 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.857 -0.030 25538 675 1 2 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.986 -0.308 25538 676 1 2 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.517 0.358 25538 677 1 2 . 1 1 58 58 GLN H H 58 7.649 7.649 7.794 -0.145 25538 678 1 2 . 1 1 59 59 TYR N N 59 120.995 120.995 121.177 -0.182 25538 679 1 2 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.136 -0.332 25538 680 1 2 . 1 1 59 59 TYR C C 59 176.215 176.215 177.653 -1.438 25538 681 1 2 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.056 0.509 25538 682 1 2 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.465 0.138 25538 683 1 2 . 1 1 59 59 TYR H H 59 8.500 8.500 8.247 0.253 25538 684 1 2 . 1 1 60 60 ILE N N 60 116.781 116.781 119.767 -2.986 25538 685 1 2 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.600 -0.325 25538 686 1 2 . 1 1 60 60 ILE C C 60 177.952 177.952 178.134 -0.182 25538 687 1 2 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.903 -0.232 25538 688 1 2 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.909 0.649 25538 689 1 2 . 1 1 60 60 ILE H H 60 7.612 7.612 8.604 -0.992 25538 690 1 2 . 1 1 61 61 MET N N 61 115.626 115.626 118.033 -2.407 25538 691 1 2 . 1 1 61 61 MET HA H 61 4.529 4.529 4.136 0.393 25538 692 1 2 . 1 1 61 61 MET C C 61 180.579 180.579 178.852 1.727 25538 693 1 2 . 1 1 61 61 MET CA C 61 57.662 57.662 57.435 0.227 25538 694 1 2 . 1 1 61 61 MET CB C 61 31.449 31.449 31.283 0.166 25538 695 1 2 . 1 1 61 61 MET H H 61 7.717 7.717 8.040 -0.323 25538 696 1 2 . 1 1 62 62 VAL N N 62 120.907 120.907 118.790 2.117 25538 697 1 2 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.792 0.037 25538 698 1 2 . 1 1 62 62 VAL C C 62 178.786 178.786 178.014 0.772 25538 699 1 2 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.488 0.513 25538 700 1 2 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.654 0.329 25538 701 1 2 . 1 1 62 62 VAL H H 62 9.021 9.021 8.299 0.722 25538 702 1 2 . 1 1 63 63 LYS N N 63 116.704 116.704 118.078 -1.374 25538 703 1 2 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.168 -0.111 25538 704 1 2 . 1 1 63 63 LYS C C 63 174.784 174.784 175.971 -1.187 25538 705 1 2 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.514 0.569 25538 706 1 2 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.456 -1.123 25538 707 1 2 . 1 1 63 63 LYS H H 63 7.824 7.824 7.984 -0.160 25538 708 1 2 . 1 1 64 64 GLN N N 64 115.371 115.371 113.741 1.630 25538 709 1 2 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.223 -0.602 25538 710 1 2 . 1 1 64 64 GLN C C 64 175.550 175.550 175.582 -0.032 25538 711 1 2 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.380 0.599 25538 712 1 2 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.894 0.354 25538 713 1 2 . 1 1 64 64 GLN H H 64 7.653 7.653 8.133 -0.480 25538 714 1 2 . 1 1 65 65 LEU N N 65 115.332 115.332 120.672 -5.340 25538 715 1 2 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.651 -0.216 25538 716 1 2 . 1 1 65 65 LEU C C 65 175.979 175.979 175.577 0.402 25538 717 1 2 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.060 0.541 25538 718 1 2 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.934 1.002 25538 719 1 2 . 1 1 65 65 LEU H H 65 8.059 8.059 8.203 -0.144 25538 720 1 2 . 1 1 66 66 TYR N N 66 113.240 113.240 115.097 -1.857 25538 721 1 2 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.153 0.107 25538 722 1 2 . 1 1 66 66 TYR C C 66 174.107 174.107 173.810 0.297 25538 723 1 2 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.980 -0.306 25538 724 1 2 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.962 -1.203 25538 725 1 2 . 1 1 66 66 TYR H H 66 6.845 6.845 7.241 -0.396 25538 726 1 2 . 1 1 67 67 ASP N N 67 122.255 122.255 121.069 1.186 25538 727 1 2 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.845 -0.410 25538 728 1 2 . 1 1 67 67 ASP C C 67 176.779 176.779 176.801 -0.022 25538 729 1 2 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.018 0.768 25538 730 1 2 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.808 -0.449 25538 731 1 2 . 1 1 67 67 ASP H H 67 8.341 8.341 8.183 0.158 25538 732 1 2 . 1 1 68 68 GLN N N 68 123.090 123.090 124.038 -0.948 25538 733 1 2 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.105 -0.224 25538 734 1 2 . 1 1 68 68 GLN C C 68 177.122 177.122 176.612 0.510 25538 735 1 2 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.793 1.096 25538 736 1 2 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.458 0.607 25538 737 1 2 . 1 1 68 68 GLN H H 68 8.552 8.552 8.693 -0.141 25538 738 1 2 . 1 1 69 69 GLN N N 69 115.295 115.295 119.140 -3.845 25538 739 1 2 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.418 -0.079 25538 740 1 2 . 1 1 69 69 GLN C C 69 176.272 176.272 176.718 -0.446 25538 741 1 2 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.396 0.539 25538 742 1 2 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.382 -0.466 25538 743 1 2 . 1 1 69 69 GLN H H 69 8.347 8.347 8.449 -0.102 25538 744 1 2 . 1 1 70 70 GLU N N 70 122.341 122.341 122.078 0.263 25538 745 1 2 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.244 0.247 25538 746 1 2 . 1 1 70 70 GLU C C 70 175.832 175.832 176.207 -0.375 25538 747 1 2 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.039 0.046 25538 748 1 2 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.474 1.064 25538 749 1 2 . 1 1 70 70 GLU H H 70 8.237 8.237 8.659 -0.422 25538 750 1 2 . 1 1 71 71 GLN N N 71 119.185 119.185 119.407 -0.222 25538 751 1 2 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.262 0.239 25538 752 1 2 . 1 1 71 71 GLN C C 71 173.848 173.848 176.217 -2.369 25538 753 1 2 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.014 1.786 25538 754 1 2 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.928 -0.746 25538 755 1 2 . 1 1 71 71 GLN H H 71 8.206 8.206 7.825 0.381 25538 756 1 2 . 1 1 72 72 HIS N N 72 109.549 109.549 111.762 -2.213 25538 757 1 2 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.511 -0.331 25538 758 1 2 . 1 1 72 72 HIS C C 72 175.790 175.790 174.487 1.303 25538 759 1 2 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.333 0.948 25538 760 1 2 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.714 1.361 25538 761 1 2 . 1 1 72 72 HIS H H 72 7.383 7.383 7.808 -0.425 25538 762 1 2 . 1 1 73 73 MET N N 73 119.174 119.174 120.799 -1.625 25538 763 1 2 . 1 1 73 73 MET HA H 73 4.570 4.570 4.761 -0.191 25538 764 1 2 . 1 1 73 73 MET C C 73 174.242 174.242 173.864 0.378 25538 765 1 2 . 1 1 73 73 MET CA C 73 53.027 53.027 53.866 -0.839 25538 766 1 2 . 1 1 73 73 MET CB C 73 31.709 31.709 34.460 -2.751 25538 767 1 2 . 1 1 73 73 MET H H 73 7.655 7.655 7.517 0.138 25538 768 1 2 . 1 1 74 74 VAL N N 74 122.522 122.522 126.568 -4.046 25538 769 1 2 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.145 -0.222 25538 770 1 2 . 1 1 74 74 VAL C C 74 174.851 174.851 174.466 0.385 25538 771 1 2 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.459 -0.065 25538 772 1 2 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.162 0.625 25538 773 1 2 . 1 1 74 74 VAL H H 74 8.443 8.443 8.718 -0.275 25538 774 1 2 . 1 1 75 75 TYR N N 75 125.773 125.773 126.465 -0.692 25538 775 1 2 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.038 -0.286 25538 776 1 2 . 1 1 75 75 TYR C C 75 174.923 174.923 175.831 -0.908 25538 777 1 2 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.908 0.904 25538 778 1 2 . 1 1 75 75 TYR CB C 75 38.633 38.633 37.397 1.236 25538 779 1 2 . 1 1 75 75 TYR H H 75 8.256 8.256 8.893 -0.637 25538 780 1 2 . 1 1 76 76 CYS N N 76 116.702 116.702 121.068 -4.366 25538 781 1 2 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.090 0.657 25538 782 1 2 . 1 1 76 76 CYS C C 76 174.231 174.231 176.596 -2.365 25538 783 1 2 . 1 1 76 76 CYS CA C 76 56.103 56.103 62.414 -6.311 25538 784 1 2 . 1 1 76 76 CYS CB C 76 29.589 29.589 27.993 1.596 25538 785 1 2 . 1 1 76 76 CYS H H 76 8.266 8.266 8.580 -0.314 25538 786 1 2 . 1 1 77 77 GLY N N 77 111.675 111.675 108.434 3.241 25538 787 1 2 . 1 1 77 77 GLY C C 77 174.662 174.662 175.196 -0.534 25538 788 1 2 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.658 0.491 25538 789 1 2 . 1 1 77 77 GLY H H 77 8.483 8.483 8.443 0.040 25538 790 1 2 . 1 1 78 78 GLY N N 78 113.022 113.022 110.433 2.589 25538 791 1 2 . 1 1 78 78 GLY C C 78 172.811 172.811 174.037 -1.226 25538 792 1 2 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.613 1.139 25538 793 1 2 . 1 1 78 78 GLY H H 78 8.892 8.892 8.241 0.651 25538 794 1 2 . 1 1 79 79 ASP N N 79 119.457 119.457 122.043 -2.586 25538 795 1 2 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.908 -0.016 25538 796 1 2 . 1 1 79 79 ASP C C 79 176.302 176.302 177.494 -1.192 25538 797 1 2 . 1 1 79 79 ASP CA C 79 53.047 53.047 54.791 -1.744 25538 798 1 2 . 1 1 79 79 ASP CB C 79 47.271 47.271 42.471 4.800 25538 799 1 2 . 1 1 79 79 ASP H H 79 7.795 7.795 7.993 -0.198 25538 800 1 2 . 1 1 80 80 LEU N N 80 128.421 128.421 122.978 5.443 25538 801 1 2 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.106 -0.042 25538 802 1 2 . 1 1 80 80 LEU C C 80 179.059 179.059 178.942 0.117 25538 803 1 2 . 1 1 80 80 LEU CA C 80 58.523 58.523 58.414 0.109 25538 804 1 2 . 1 1 80 80 LEU CB C 80 42.647 42.647 41.388 1.259 25538 805 1 2 . 1 1 80 80 LEU H H 80 8.549 8.549 9.013 -0.464 25538 806 1 2 . 1 1 81 81 LEU N N 81 118.678 118.678 120.092 -1.414 25538 807 1 2 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.063 -0.196 25538 808 1 2 . 1 1 81 81 LEU C C 81 178.542 178.542 178.937 -0.395 25538 809 1 2 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.130 0.396 25538 810 1 2 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.293 1.356 25538 811 1 2 . 1 1 81 81 LEU H H 81 9.974 9.974 8.347 1.627 25538 812 1 2 . 1 1 82 82 GLY N N 82 105.642 105.642 105.925 -0.283 25538 813 1 2 . 1 1 82 82 GLY C C 82 176.907 176.907 176.436 0.471 25538 814 1 2 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.109 0.884 25538 815 1 2 . 1 1 82 82 GLY H H 82 7.543 7.543 7.940 -0.397 25538 816 1 2 . 1 1 83 83 GLU N N 83 121.762 121.762 122.326 -0.564 25538 817 1 2 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.074 -0.092 25538 818 1 2 . 1 1 83 83 GLU C C 83 179.215 179.215 179.014 0.201 25538 819 1 2 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.550 -0.390 25538 820 1 2 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.553 -0.082 25538 821 1 2 . 1 1 83 83 GLU H H 83 7.537 7.537 8.169 -0.632 25538 822 1 2 . 1 1 84 84 LEU N N 84 118.478 118.478 117.662 0.816 25538 823 1 2 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.203 -0.179 25538 824 1 2 . 1 1 84 84 LEU C C 84 178.842 178.842 178.909 -0.067 25538 825 1 2 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.199 1.276 25538 826 1 2 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.661 0.731 25538 827 1 2 . 1 1 84 84 LEU H H 84 7.717 7.717 8.257 -0.540 25538 828 1 2 . 1 1 85 85 LEU N N 85 115.268 115.268 114.218 1.050 25538 829 1 2 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.200 -0.423 25538 830 1 2 . 1 1 85 85 LEU C C 85 177.773 177.773 177.841 -0.068 25538 831 1 2 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.505 -0.130 25538 832 1 2 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.596 1.297 25538 833 1 2 . 1 1 85 85 LEU H H 85 8.091 8.091 7.957 0.134 25538 834 1 2 . 1 1 86 86 GLY N N 86 107.339 107.339 106.654 0.685 25538 835 1 2 . 1 1 86 86 GLY C C 86 174.143 174.143 174.335 -0.192 25538 836 1 2 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.910 1.405 25538 837 1 2 . 1 1 86 86 GLY H H 86 7.993 7.993 8.127 -0.134 25538 838 1 2 . 1 1 87 87 ARG N N 87 113.292 113.292 120.202 -6.910 25538 839 1 2 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.629 0.025 25538 840 1 2 . 1 1 87 87 ARG C C 87 174.720 174.720 175.382 -0.662 25538 841 1 2 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.013 -0.853 25538 842 1 2 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.298 2.158 25538 843 1 2 . 1 1 87 87 ARG H H 87 7.407 7.407 7.571 -0.164 25538 844 1 2 . 1 1 88 88 GLN N N 88 116.042 116.042 122.065 -6.023 25538 845 1 2 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.360 -0.314 25538 846 1 2 . 1 1 88 88 GLN C C 88 175.946 175.946 174.920 1.026 25538 847 1 2 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.139 0.036 25538 848 1 2 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.582 0.208 25538 849 1 2 . 1 1 88 88 GLN H H 88 8.660 8.660 8.766 -0.106 25538 850 1 2 . 1 1 89 89 SER N N 89 110.533 110.533 110.251 0.282 25538 851 1 2 . 1 1 89 89 SER HA H 89 5.431 5.431 5.043 0.388 25538 852 1 2 . 1 1 89 89 SER C C 89 173.062 173.062 173.265 -0.203 25538 853 1 2 . 1 1 89 89 SER CA C 89 57.019 57.019 56.074 0.945 25538 854 1 2 . 1 1 89 89 SER CB C 89 66.577 66.577 65.975 0.603 25538 855 1 2 . 1 1 89 89 SER H H 89 7.620 7.620 7.497 0.123 25538 856 1 2 . 1 1 90 90 PHE N N 90 115.219 115.219 118.007 -2.788 25538 857 1 2 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.839 -0.144 25538 858 1 2 . 1 1 90 90 PHE C C 90 175.233 175.233 172.591 2.642 25538 859 1 2 . 1 1 90 90 PHE CA C 90 57.095 57.095 57.092 0.003 25538 860 1 2 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.175 0.171 25538 861 1 2 . 1 1 90 90 PHE H H 90 8.557 8.557 7.915 0.642 25538 862 1 2 . 1 1 91 91 SER N N 91 113.681 113.681 114.240 -0.559 25538 863 1 2 . 1 1 91 91 SER HA H 91 5.391 5.391 5.261 0.130 25538 864 1 2 . 1 1 91 91 SER CA C 91 54.564 54.564 55.063 -0.499 25538 865 1 2 . 1 1 91 91 SER CB C 91 65.366 65.366 66.052 -0.686 25538 866 1 2 . 1 1 91 91 SER H H 91 9.006 9.006 8.163 0.843 25538 867 1 2 . 1 1 92 92 VAL N N 92 121.388 121.388 120.433 0.955 25538 868 1 2 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.993 -0.050 25538 869 1 2 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.692 -0.497 25538 870 1 2 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.409 -0.178 25538 871 1 2 . 1 1 92 92 VAL H H 92 8.983 8.983 8.802 0.181 25538 872 1 2 . 1 1 93 93 LYS N N 93 116.161 116.161 117.002 -0.841 25538 873 1 2 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.455 -0.472 25538 874 1 2 . 1 1 93 93 LYS C C 93 177.088 177.088 176.546 0.542 25538 875 1 2 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.124 1.057 25538 876 1 2 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.463 -0.339 25538 877 1 2 . 1 1 93 93 LYS H H 93 8.078 8.078 7.748 0.330 25538 878 1 2 . 1 1 94 94 ASP N N 94 115.406 115.406 120.324 -4.918 25538 879 1 2 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.027 -0.078 25538 880 1 2 . 1 1 94 94 ASP CA C 94 51.557 51.557 52.476 -0.919 25538 881 1 2 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.737 -1.292 25538 882 1 2 . 1 1 94 94 ASP H H 94 7.385 7.385 7.644 -0.259 25538 883 1 2 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.798 -0.361 25538 884 1 2 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.574 0.315 25538 885 1 2 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.937 0.823 25538 886 1 2 . 1 1 96 96 SER N N 96 118.819 118.819 117.085 1.734 25538 887 1 2 . 1 1 96 96 SER HA H 96 4.220 4.220 4.412 -0.192 25538 888 1 2 . 1 1 96 96 SER CA C 96 64.406 64.406 63.688 0.718 25538 889 1 2 . 1 1 96 96 SER CB C 96 61.862 61.862 60.901 0.961 25538 890 1 2 . 1 1 96 96 SER H H 96 8.104 8.104 7.805 0.299 25538 891 1 2 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.483 -0.134 25538 892 1 2 . 1 1 97 97 PRO CA C 97 65.911 65.911 64.801 1.110 25538 893 1 2 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.591 -0.096 25538 894 1 2 . 1 1 98 98 LEU N N 98 118.063 118.063 120.890 -2.827 25538 895 1 2 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.720 -0.117 25538 896 1 2 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.367 -0.266 25538 897 1 2 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.294 0.102 25538 898 1 2 . 1 1 98 98 LEU H H 98 7.087 7.087 7.016 0.071 25538 899 1 2 . 1 1 99 99 TYR N N 99 118.063 118.063 117.829 0.234 25538 900 1 2 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.083 0.061 25538 901 1 2 . 1 1 99 99 TYR C C 99 178.914 178.914 178.104 0.810 25538 902 1 2 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.124 -0.856 25538 903 1 2 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.838 -0.870 25538 904 1 2 . 1 1 99 99 TYR H H 99 7.594 7.594 8.364 -0.770 25538 905 1 2 . 1 1 100 100 ASP N N 100 119.682 119.682 119.922 -0.240 25538 906 1 2 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.393 -0.067 25538 907 1 2 . 1 1 100 100 ASP C C 100 177.737 177.737 178.183 -0.446 25538 908 1 2 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.022 0.853 25538 909 1 2 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.879 0.209 25538 910 1 2 . 1 1 100 100 ASP H H 100 8.315 8.315 7.778 0.537 25538 911 1 2 . 1 1 101 101 MET N N 101 118.784 118.784 119.061 -0.277 25538 912 1 2 . 1 1 101 101 MET HA H 101 3.969 3.969 4.157 -0.188 25538 913 1 2 . 1 1 101 101 MET C C 101 180.080 180.080 177.760 2.320 25538 914 1 2 . 1 1 101 101 MET CA C 101 59.420 59.420 58.270 1.150 25538 915 1 2 . 1 1 101 101 MET CB C 101 31.642 31.642 32.068 -0.426 25538 916 1 2 . 1 1 101 101 MET H H 101 7.245 7.245 7.880 -0.635 25538 917 1 2 . 1 1 102 102 LEU N N 102 121.572 121.572 120.704 0.868 25538 918 1 2 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.791 -0.090 25538 919 1 2 . 1 1 102 102 LEU C C 102 178.566 178.566 179.073 -0.507 25538 920 1 2 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.793 0.950 25538 921 1 2 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.264 0.182 25538 922 1 2 . 1 1 102 102 LEU H H 102 8.471 8.471 8.156 0.315 25538 923 1 2 . 1 1 103 103 ARG N N 103 117.180 117.180 117.529 -0.349 25538 924 1 2 . 1 1 103 103 ARG HA H 103 3.970 3.970 3.991 -0.021 25538 925 1 2 . 1 1 103 103 ARG C C 103 178.818 178.818 178.233 0.585 25538 926 1 2 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.227 0.276 25538 927 1 2 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.185 0.031 25538 928 1 2 . 1 1 103 103 ARG H H 103 7.933 7.933 8.263 -0.330 25538 929 1 2 . 1 1 104 104 LYS N N 104 114.206 114.206 115.866 -1.660 25538 930 1 2 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.386 -0.170 25538 931 1 2 . 1 1 104 104 LYS C C 104 177.556 177.556 176.531 1.025 25538 932 1 2 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.412 0.341 25538 933 1 2 . 1 1 104 104 LYS CB C 104 34.100 34.100 33.270 0.830 25538 934 1 2 . 1 1 104 104 LYS H H 104 7.171 7.171 7.631 -0.460 25538 935 1 2 . 1 1 105 105 ASN N N 105 114.097 114.097 117.299 -3.202 25538 936 1 2 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.952 -0.221 25538 937 1 2 . 1 1 105 105 ASN C C 105 172.822 172.822 174.168 -1.346 25538 938 1 2 . 1 1 105 105 ASN CA C 105 54.843 54.843 53.917 0.926 25538 939 1 2 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.505 0.836 25538 940 1 2 . 1 1 105 105 ASN H H 105 7.661 7.661 7.970 -0.309 25538 941 1 2 . 1 1 106 106 LEU N N 106 118.656 118.656 119.051 -0.395 25538 942 1 2 . 1 1 106 106 LEU HA H 106 4.671 4.671 5.152 -0.481 25538 943 1 2 . 1 1 106 106 LEU C C 106 175.658 175.658 177.288 -1.630 25538 944 1 2 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.239 0.919 25538 945 1 2 . 1 1 106 106 LEU CB C 106 43.610 43.610 45.947 -2.337 25538 946 1 2 . 1 1 106 106 LEU H H 106 7.440 7.440 8.307 -0.867 25538 947 1 2 . 1 1 107 107 VAL N N 107 122.765 122.765 119.261 3.504 25538 948 1 2 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.177 0.037 25538 949 1 2 . 1 1 107 107 VAL C C 107 176.054 176.054 175.640 0.414 25538 950 1 2 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.155 -0.012 25538 951 1 2 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.574 3.982 25538 952 1 2 . 1 1 107 107 VAL H H 107 8.158 8.158 8.374 -0.216 25538 953 1 2 . 1 1 108 108 THR N N 108 120.921 120.921 114.741 6.180 25538 954 1 2 . 1 1 108 108 THR HA H 108 4.332 4.332 3.919 0.413 25538 955 1 2 . 1 1 108 108 THR C C 108 174.216 174.216 173.663 0.553 25538 956 1 2 . 1 1 108 108 THR CA C 108 62.726 62.726 63.514 -0.788 25538 957 1 2 . 1 1 108 108 THR CB C 108 69.777 69.777 67.317 2.460 25538 958 1 2 . 1 1 108 108 THR H H 108 8.524 8.524 8.126 0.398 25538 959 1 2 . 1 1 109 109 LEU N N 109 125.518 125.518 122.325 3.193 25538 960 1 2 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.381 -0.026 25538 961 1 2 . 1 1 109 109 LEU C C 109 176.523 176.523 175.513 1.010 25538 962 1 2 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.658 0.389 25538 963 1 2 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.615 -0.025 25538 964 1 2 . 1 1 109 109 LEU H H 109 8.312 8.312 8.095 0.217 25538 965 1 2 . 1 1 110 110 ALA N N 110 125.099 125.099 125.109 -0.010 25538 966 1 2 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.806 -0.440 25538 967 1 2 . 1 1 110 110 ALA C C 110 176.847 176.847 175.704 1.143 25538 968 1 2 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.646 0.982 25538 969 1 2 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.051 -1.345 25538 970 1 2 . 1 1 110 110 ALA H H 110 8.257 8.257 8.142 0.115 25538 971 1 3 . 1 1 24 24 ILE N N 24 120.669 120.669 120.901 -0.232 25538 972 1 3 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.295 -0.148 25538 973 1 3 . 1 1 24 24 ILE C C 24 175.650 175.650 176.213 -0.563 25538 974 1 3 . 1 1 24 24 ILE CA C 24 61.342 61.342 60.300 1.042 25538 975 1 3 . 1 1 24 24 ILE CB C 24 38.977 38.977 38.242 0.736 25538 976 1 3 . 1 1 24 24 ILE H H 24 8.122 8.122 8.079 0.043 25538 977 1 3 . 1 1 25 25 ASN N N 25 121.886 121.886 123.760 -1.874 25538 978 1 3 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.818 -0.116 25538 979 1 3 . 1 1 25 25 ASN C C 25 174.775 174.775 174.376 0.399 25538 980 1 3 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.734 0.996 25538 981 1 3 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.302 -0.001 25538 982 1 3 . 1 1 25 25 ASN H H 25 8.436 8.436 8.742 -0.306 25538 983 1 3 . 1 1 26 26 GLN N N 26 118.706 118.706 119.509 -0.803 25538 984 1 3 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.393 0.189 25538 985 1 3 . 1 1 26 26 GLN C C 26 175.291 175.291 174.318 0.973 25538 986 1 3 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.958 -0.318 25538 987 1 3 . 1 1 26 26 GLN CB C 26 32.218 32.218 28.995 3.223 25538 988 1 3 . 1 1 26 26 GLN H H 26 8.208 8.208 8.263 -0.055 25538 989 1 3 . 1 1 27 27 VAL N N 27 113.658 113.658 120.017 -6.359 25538 990 1 3 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.412 0.464 25538 991 1 3 . 1 1 27 27 VAL C C 27 173.900 173.900 173.879 0.021 25538 992 1 3 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.250 -2.134 25538 993 1 3 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.109 1.905 25538 994 1 3 . 1 1 27 27 VAL H H 27 9.401 9.401 8.365 1.036 25538 995 1 3 . 1 1 28 28 ARG N N 28 121.535 121.535 126.532 -4.997 25538 996 1 3 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.798 0.659 25538 997 1 3 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.445 -0.874 25538 998 1 3 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.640 1.012 25538 999 1 3 . 1 1 28 28 ARG H H 28 8.904 8.904 8.575 0.329 25538 1000 1 3 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.712 0.297 25538 1001 1 3 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.245 0.695 25538 1002 1 3 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.222 -0.968 25538 1003 1 3 . 1 1 30 30 LYS N N 30 121.258 121.258 119.177 2.081 25538 1004 1 3 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.406 -0.205 25538 1005 1 3 . 1 1 30 30 LYS C C 30 177.557 177.557 177.240 0.317 25538 1006 1 3 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.434 1.951 25538 1007 1 3 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.122 -0.272 25538 1008 1 3 . 1 1 30 30 LYS H H 30 8.477 8.477 7.903 0.574 25538 1009 1 3 . 1 1 31 31 LEU N N 31 121.577 121.577 127.107 -5.530 25538 1010 1 3 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.182 -0.120 25538 1011 1 3 . 1 1 31 31 LEU CA C 31 60.196 60.196 58.953 1.243 25538 1012 1 3 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.819 -0.044 25538 1013 1 3 . 1 1 31 31 LEU H H 31 8.599 8.599 8.882 -0.283 25538 1014 1 3 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.195 -0.058 25538 1015 1 3 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.447 1.038 25538 1016 1 3 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.041 0.545 25538 1017 1 3 . 1 1 33 33 LEU N N 33 113.299 113.299 118.248 -4.949 25538 1018 1 3 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.372 -0.397 25538 1019 1 3 . 1 1 33 33 LEU C C 33 177.726 177.726 178.266 -0.540 25538 1020 1 3 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.759 0.381 25538 1021 1 3 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.345 -0.515 25538 1022 1 3 . 1 1 33 33 LEU H H 33 6.610 6.610 7.653 -1.043 25538 1023 1 3 . 1 1 34 34 LEU N N 34 121.730 121.730 122.640 -0.910 25538 1024 1 3 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.812 -0.416 25538 1025 1 3 . 1 1 34 34 LEU C C 34 177.467 177.467 178.321 -0.854 25538 1026 1 3 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.701 -0.440 25538 1027 1 3 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.750 0.086 25538 1028 1 3 . 1 1 34 34 LEU H H 34 8.411 8.411 8.810 -0.399 25538 1029 1 3 . 1 1 35 35 LYS N N 35 114.927 114.927 117.349 -2.422 25538 1030 1 3 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.917 -0.113 25538 1031 1 3 . 1 1 35 35 LYS C C 35 180.207 180.207 179.034 1.173 25538 1032 1 3 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.669 1.471 25538 1033 1 3 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.655 0.914 25538 1034 1 3 . 1 1 35 35 LYS H H 35 7.964 7.964 8.131 -0.167 25538 1035 1 3 . 1 1 36 36 ILE N N 36 119.935 119.935 120.042 -0.107 25538 1036 1 3 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.555 -0.252 25538 1037 1 3 . 1 1 36 36 ILE C C 36 176.418 176.418 177.901 -1.483 25538 1038 1 3 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.671 1.813 25538 1039 1 3 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.388 1.241 25538 1040 1 3 . 1 1 36 36 ILE H H 36 6.739 6.739 7.217 -0.478 25538 1041 1 3 . 1 1 37 37 LEU N N 37 116.682 116.682 120.916 -4.234 25538 1042 1 3 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.390 0.138 25538 1043 1 3 . 1 1 37 37 LEU C C 37 180.263 180.263 178.974 1.289 25538 1044 1 3 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.276 -0.051 25538 1045 1 3 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.738 -1.596 25538 1046 1 3 . 1 1 37 37 LEU H H 37 7.633 7.633 7.892 -0.259 25538 1047 1 3 . 1 1 38 38 HIS N N 38 117.463 117.463 117.760 -0.297 25538 1048 1 3 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.108 0.574 25538 1049 1 3 . 1 1 38 38 HIS C C 38 179.936 179.936 177.836 2.100 25538 1050 1 3 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.984 -1.694 25538 1051 1 3 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.852 0.880 25538 1052 1 3 . 1 1 38 38 HIS H H 38 8.932 8.932 8.562 0.370 25538 1053 1 3 . 1 1 39 39 ALA N N 39 124.102 124.102 121.599 2.503 25538 1054 1 3 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.120 0.131 25538 1055 1 3 . 1 1 39 39 ALA C C 39 178.764 178.764 178.676 0.088 25538 1056 1 3 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.244 0.879 25538 1057 1 3 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.592 -0.481 25538 1058 1 3 . 1 1 39 39 ALA H H 39 7.951 7.951 8.062 -0.111 25538 1059 1 3 . 1 1 40 40 ALA N N 40 118.164 118.164 118.769 -0.605 25538 1060 1 3 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.325 0.096 25538 1061 1 3 . 1 1 40 40 ALA C C 40 176.261 176.261 177.739 -1.478 25538 1062 1 3 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.069 -0.933 25538 1063 1 3 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.397 1.715 25538 1064 1 3 . 1 1 40 40 ALA H H 40 7.647 7.647 8.048 -0.401 25538 1065 1 3 . 1 1 41 41 GLY N N 41 103.894 103.894 103.958 -0.064 25538 1066 1 3 . 1 1 41 41 GLY C C 41 174.412 174.412 174.077 0.335 25538 1067 1 3 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.754 0.100 25538 1068 1 3 . 1 1 41 41 GLY H H 41 7.677 7.677 7.678 -0.001 25538 1069 1 3 . 1 1 42 42 ALA N N 42 123.549 123.549 123.511 0.038 25538 1070 1 3 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.379 -0.749 25538 1071 1 3 . 1 1 42 42 ALA C C 42 175.956 175.956 175.288 0.668 25538 1072 1 3 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.759 0.921 25538 1073 1 3 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.097 -0.864 25538 1074 1 3 . 1 1 42 42 ALA H H 42 7.559 7.559 7.476 0.083 25538 1075 1 3 . 1 1 43 43 GLN N N 43 117.516 117.516 116.003 1.513 25538 1076 1 3 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.821 0.557 25538 1077 1 3 . 1 1 43 43 GLN C C 43 175.528 175.528 175.478 0.050 25538 1078 1 3 . 1 1 43 43 GLN CA C 43 54.619 54.619 54.888 -0.269 25538 1079 1 3 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.480 1.716 25538 1080 1 3 . 1 1 43 43 GLN H H 43 8.531 8.531 8.406 0.125 25538 1081 1 3 . 1 1 44 44 GLY N N 44 108.084 108.084 109.461 -1.377 25538 1082 1 3 . 1 1 44 44 GLY C C 44 174.073 174.073 174.495 -0.422 25538 1083 1 3 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.023 -0.400 25538 1084 1 3 . 1 1 44 44 GLY H H 44 8.535 8.535 8.495 0.040 25538 1085 1 3 . 1 1 45 45 GLU N N 45 114.485 114.485 118.038 -3.553 25538 1086 1 3 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.177 0.433 25538 1087 1 3 . 1 1 45 45 GLU C C 45 174.007 174.007 174.926 -0.919 25538 1088 1 3 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.967 0.883 25538 1089 1 3 . 1 1 45 45 GLU CB C 45 33.035 33.035 30.248 2.787 25538 1090 1 3 . 1 1 45 45 GLU H H 45 8.293 8.293 8.529 -0.236 25538 1091 1 3 . 1 1 46 46 MET N N 46 115.370 115.370 119.619 -4.249 25538 1092 1 3 . 1 1 46 46 MET HA H 46 5.047 5.047 4.333 0.714 25538 1093 1 3 . 1 1 46 46 MET C C 46 174.637 174.637 174.389 0.248 25538 1094 1 3 . 1 1 46 46 MET CA C 46 54.239 54.239 54.030 0.209 25538 1095 1 3 . 1 1 46 46 MET CB C 46 35.727 35.727 31.706 4.021 25538 1096 1 3 . 1 1 46 46 MET H H 46 6.871 6.871 7.264 -0.393 25538 1097 1 3 . 1 1 47 47 PHE N N 47 118.922 118.922 122.110 -3.188 25538 1098 1 3 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.967 0.137 25538 1099 1 3 . 1 1 47 47 PHE C C 47 175.742 175.742 174.474 1.268 25538 1100 1 3 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.481 1.884 25538 1101 1 3 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.407 6.475 25538 1102 1 3 . 1 1 47 47 PHE H H 47 8.611 8.611 7.582 1.029 25538 1103 1 3 . 1 1 48 48 THR N N 48 110.603 110.603 112.389 -1.786 25538 1104 1 3 . 1 1 48 48 THR HA H 48 4.982 4.982 4.403 0.579 25538 1105 1 3 . 1 1 48 48 THR C C 48 176.666 176.666 175.995 0.671 25538 1106 1 3 . 1 1 48 48 THR CA C 48 61.021 61.021 60.219 0.802 25538 1107 1 3 . 1 1 48 48 THR CB C 48 71.136 71.136 70.349 0.787 25538 1108 1 3 . 1 1 48 48 THR H H 48 9.113 9.113 8.046 1.067 25538 1109 1 3 . 1 1 49 49 VAL N N 49 121.595 121.595 121.972 -0.377 25538 1110 1 3 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.691 -0.298 25538 1111 1 3 . 1 1 49 49 VAL C C 49 177.726 177.726 177.348 0.378 25538 1112 1 3 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.704 1.505 25538 1113 1 3 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.026 -0.665 25538 1114 1 3 . 1 1 49 49 VAL H H 49 9.074 9.074 9.044 0.030 25538 1115 1 3 . 1 1 50 50 LYS N N 50 118.504 118.504 117.781 0.723 25538 1116 1 3 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.967 -0.008 25538 1117 1 3 . 1 1 50 50 LYS C C 50 180.060 180.060 178.958 1.102 25538 1118 1 3 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.882 0.038 25538 1119 1 3 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.797 1.010 25538 1120 1 3 . 1 1 50 50 LYS H H 50 8.131 8.131 8.468 -0.337 25538 1121 1 3 . 1 1 51 51 GLU N N 51 119.547 119.547 119.380 0.167 25538 1122 1 3 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.186 -0.148 25538 1123 1 3 . 1 1 51 51 GLU C C 51 178.583 178.583 178.748 -0.165 25538 1124 1 3 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.517 1.339 25538 1125 1 3 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.810 1.592 25538 1126 1 3 . 1 1 51 51 GLU H H 51 7.882 7.882 7.869 0.013 25538 1127 1 3 . 1 1 52 52 VAL N N 52 119.078 119.078 121.504 -2.426 25538 1128 1 3 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.618 -0.364 25538 1129 1 3 . 1 1 52 52 VAL C C 52 177.546 177.546 178.487 -0.941 25538 1130 1 3 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.945 0.916 25538 1131 1 3 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.798 -0.567 25538 1132 1 3 . 1 1 52 52 VAL H H 52 8.258 8.258 8.744 -0.486 25538 1133 1 3 . 1 1 53 53 MET N N 53 114.606 114.606 115.916 -1.310 25538 1134 1 3 . 1 1 53 53 MET HA H 53 4.231 4.231 4.221 0.010 25538 1135 1 3 . 1 1 53 53 MET C C 53 178.640 178.640 178.548 0.092 25538 1136 1 3 . 1 1 53 53 MET CA C 53 57.902 57.902 56.576 1.326 25538 1137 1 3 . 1 1 53 53 MET CB C 53 32.640 32.640 30.615 2.025 25538 1138 1 3 . 1 1 53 53 MET H H 53 8.201 8.201 8.358 -0.157 25538 1139 1 3 . 1 1 54 54 HIS N N 54 118.707 118.707 121.083 -2.376 25538 1140 1 3 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.173 -0.027 25538 1141 1 3 . 1 1 54 54 HIS C C 54 178.531 178.531 177.533 0.998 25538 1142 1 3 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.284 -0.272 25538 1143 1 3 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.588 0.572 25538 1144 1 3 . 1 1 54 54 HIS H H 54 8.122 8.122 7.731 0.391 25538 1145 1 3 . 1 1 55 55 TYR N N 55 116.875 116.875 118.393 -1.518 25538 1146 1 3 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.079 -0.211 25538 1147 1 3 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.575 2.162 25538 1148 1 3 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.600 1.434 25538 1149 1 3 . 1 1 55 55 TYR H H 55 8.480 8.480 8.524 -0.044 25538 1150 1 3 . 1 1 56 56 LEU N N 56 120.976 120.976 120.294 0.682 25538 1151 1 3 . 1 1 56 56 LEU HA H 56 3.831 3.831 4.045 -0.214 25538 1152 1 3 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.270 0.093 25538 1153 1 3 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.473 0.919 25538 1154 1 3 . 1 1 56 56 LEU H H 56 8.452 8.452 8.448 0.004 25538 1155 1 3 . 1 1 57 57 GLY N N 57 105.050 105.050 106.887 -1.837 25538 1156 1 3 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.214 -0.068 25538 1157 1 3 . 1 1 57 57 GLY H H 57 7.710 7.710 8.569 -0.859 25538 1158 1 3 . 1 1 58 58 GLN N N 58 119.017 119.017 122.334 -3.317 25538 1159 1 3 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.886 -0.059 25538 1160 1 3 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.025 -0.347 25538 1161 1 3 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.535 0.340 25538 1162 1 3 . 1 1 58 58 GLN H H 58 7.649 7.649 8.039 -0.390 25538 1163 1 3 . 1 1 59 59 TYR N N 59 120.995 120.995 121.285 -0.290 25538 1164 1 3 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.157 -0.353 25538 1165 1 3 . 1 1 59 59 TYR C C 59 176.215 176.215 177.669 -1.454 25538 1166 1 3 . 1 1 59 59 TYR CA C 59 62.565 62.565 61.991 0.574 25538 1167 1 3 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.457 0.146 25538 1168 1 3 . 1 1 59 59 TYR H H 59 8.500 8.500 8.386 0.114 25538 1169 1 3 . 1 1 60 60 ILE N N 60 116.781 116.781 119.954 -3.173 25538 1170 1 3 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.609 -0.334 25538 1171 1 3 . 1 1 60 60 ILE C C 60 177.952 177.952 178.424 -0.472 25538 1172 1 3 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.662 0.008 25538 1173 1 3 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.990 0.568 25538 1174 1 3 . 1 1 60 60 ILE H H 60 7.612 7.612 8.623 -1.011 25538 1175 1 3 . 1 1 61 61 MET N N 61 115.626 115.626 117.618 -1.992 25538 1176 1 3 . 1 1 61 61 MET HA H 61 4.529 4.529 4.252 0.277 25538 1177 1 3 . 1 1 61 61 MET C C 61 180.579 180.579 178.466 2.113 25538 1178 1 3 . 1 1 61 61 MET CA C 61 57.662 57.662 57.674 -0.012 25538 1179 1 3 . 1 1 61 61 MET CB C 61 31.449 31.449 31.799 -0.350 25538 1180 1 3 . 1 1 61 61 MET H H 61 7.717 7.717 8.108 -0.391 25538 1181 1 3 . 1 1 62 62 VAL N N 62 120.907 120.907 118.132 2.775 25538 1182 1 3 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.721 0.108 25538 1183 1 3 . 1 1 62 62 VAL C C 62 178.786 178.786 177.866 0.920 25538 1184 1 3 . 1 1 62 62 VAL CA C 62 66.001 66.001 64.936 1.065 25538 1185 1 3 . 1 1 62 62 VAL CB C 62 31.983 31.983 32.054 -0.071 25538 1186 1 3 . 1 1 62 62 VAL H H 62 9.021 9.021 8.351 0.670 25538 1187 1 3 . 1 1 63 63 LYS N N 63 116.704 116.704 117.033 -0.329 25538 1188 1 3 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.257 -0.200 25538 1189 1 3 . 1 1 63 63 LYS C C 63 174.784 174.784 175.756 -0.972 25538 1190 1 3 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.147 0.937 25538 1191 1 3 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.388 -1.056 25538 1192 1 3 . 1 1 63 63 LYS H H 63 7.824 7.824 7.950 -0.126 25538 1193 1 3 . 1 1 64 64 GLN N N 64 115.371 115.371 115.266 0.105 25538 1194 1 3 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.177 -0.556 25538 1195 1 3 . 1 1 64 64 GLN C C 64 175.550 175.550 175.750 -0.200 25538 1196 1 3 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.249 0.730 25538 1197 1 3 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.779 0.469 25538 1198 1 3 . 1 1 64 64 GLN H H 64 7.653 7.653 8.117 -0.464 25538 1199 1 3 . 1 1 65 65 LEU N N 65 115.332 115.332 119.720 -4.388 25538 1200 1 3 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.480 -0.045 25538 1201 1 3 . 1 1 65 65 LEU C C 65 175.979 175.979 175.684 0.295 25538 1202 1 3 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.523 0.078 25538 1203 1 3 . 1 1 65 65 LEU CB C 65 41.936 41.936 41.553 0.383 25538 1204 1 3 . 1 1 65 65 LEU H H 65 8.059 8.059 8.071 -0.012 25538 1205 1 3 . 1 1 66 66 TYR N N 66 113.240 113.240 114.492 -1.252 25538 1206 1 3 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.155 0.105 25538 1207 1 3 . 1 1 66 66 TYR C C 66 174.107 174.107 174.067 0.040 25538 1208 1 3 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.492 0.182 25538 1209 1 3 . 1 1 66 66 TYR CB C 66 39.759 39.759 41.293 -1.534 25538 1210 1 3 . 1 1 66 66 TYR H H 66 6.845 6.845 6.933 -0.088 25538 1211 1 3 . 1 1 67 67 ASP N N 67 122.255 122.255 121.081 1.174 25538 1212 1 3 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.890 -0.455 25538 1213 1 3 . 1 1 67 67 ASP C C 67 176.779 176.779 176.982 -0.203 25538 1214 1 3 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.072 0.714 25538 1215 1 3 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.888 -0.529 25538 1216 1 3 . 1 1 67 67 ASP H H 67 8.341 8.341 8.278 0.063 25538 1217 1 3 . 1 1 68 68 GLN N N 68 123.090 123.090 124.705 -1.615 25538 1218 1 3 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.249 -0.368 25538 1219 1 3 . 1 1 68 68 GLN C C 68 177.122 177.122 176.495 0.627 25538 1220 1 3 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.825 1.064 25538 1221 1 3 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.547 0.518 25538 1222 1 3 . 1 1 68 68 GLN H H 68 8.552 8.552 8.821 -0.269 25538 1223 1 3 . 1 1 69 69 GLN N N 69 115.295 115.295 119.207 -3.912 25538 1224 1 3 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.473 -0.134 25538 1225 1 3 . 1 1 69 69 GLN C C 69 176.272 176.272 176.819 -0.547 25538 1226 1 3 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.892 0.043 25538 1227 1 3 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.595 -0.679 25538 1228 1 3 . 1 1 69 69 GLN H H 69 8.347 8.347 8.518 -0.171 25538 1229 1 3 . 1 1 70 70 GLU N N 70 122.341 122.341 122.620 -0.279 25538 1230 1 3 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.624 -0.133 25538 1231 1 3 . 1 1 70 70 GLU C C 70 175.832 175.832 176.331 -0.499 25538 1232 1 3 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.113 -0.027 25538 1233 1 3 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.447 1.091 25538 1234 1 3 . 1 1 70 70 GLU H H 70 8.237 8.237 8.675 -0.438 25538 1235 1 3 . 1 1 71 71 GLN N N 71 119.185 119.185 119.058 0.127 25538 1236 1 3 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.250 0.251 25538 1237 1 3 . 1 1 71 71 GLN C C 71 173.848 173.848 176.239 -2.391 25538 1238 1 3 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.986 1.814 25538 1239 1 3 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.909 -0.727 25538 1240 1 3 . 1 1 71 71 GLN H H 71 8.206 8.206 7.824 0.382 25538 1241 1 3 . 1 1 72 72 HIS N N 72 109.549 109.549 112.243 -2.694 25538 1242 1 3 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.540 -0.360 25538 1243 1 3 . 1 1 72 72 HIS C C 72 175.790 175.790 174.438 1.352 25538 1244 1 3 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.226 1.055 25538 1245 1 3 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.769 1.306 25538 1246 1 3 . 1 1 72 72 HIS H H 72 7.383 7.383 8.136 -0.753 25538 1247 1 3 . 1 1 73 73 MET N N 73 119.174 119.174 120.491 -1.317 25538 1248 1 3 . 1 1 73 73 MET HA H 73 4.570 4.570 4.656 -0.086 25538 1249 1 3 . 1 1 73 73 MET C C 73 174.242 174.242 174.026 0.216 25538 1250 1 3 . 1 1 73 73 MET CA C 73 53.027 53.027 53.982 -0.955 25538 1251 1 3 . 1 1 73 73 MET CB C 73 31.709 31.709 34.276 -2.567 25538 1252 1 3 . 1 1 73 73 MET H H 73 7.655 7.655 7.325 0.330 25538 1253 1 3 . 1 1 74 74 VAL N N 74 122.522 122.522 125.327 -2.805 25538 1254 1 3 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.200 -0.278 25538 1255 1 3 . 1 1 74 74 VAL C C 74 174.851 174.851 174.484 0.367 25538 1256 1 3 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.095 0.299 25538 1257 1 3 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.415 0.372 25538 1258 1 3 . 1 1 74 74 VAL H H 74 8.443 8.443 8.646 -0.203 25538 1259 1 3 . 1 1 75 75 TYR N N 75 125.773 125.773 125.769 0.004 25538 1260 1 3 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.151 -0.399 25538 1261 1 3 . 1 1 75 75 TYR C C 75 174.923 174.923 175.761 -0.838 25538 1262 1 3 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.571 1.241 25538 1263 1 3 . 1 1 75 75 TYR CB C 75 38.633 38.633 37.831 0.802 25538 1264 1 3 . 1 1 75 75 TYR H H 75 8.256 8.256 8.929 -0.673 25538 1265 1 3 . 1 1 76 76 CYS N N 76 116.702 116.702 118.184 -1.482 25538 1266 1 3 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.638 0.109 25538 1267 1 3 . 1 1 76 76 CYS C C 76 174.231 174.231 176.540 -2.309 25538 1268 1 3 . 1 1 76 76 CYS CA C 76 56.103 56.103 57.624 -1.521 25538 1269 1 3 . 1 1 76 76 CYS CB C 76 29.589 29.589 27.195 2.394 25538 1270 1 3 . 1 1 76 76 CYS H H 76 8.266 8.266 8.011 0.255 25538 1271 1 3 . 1 1 77 77 GLY N N 77 111.675 111.675 110.411 1.264 25538 1272 1 3 . 1 1 77 77 GLY C C 77 174.662 174.662 175.217 -0.555 25538 1273 1 3 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.298 0.851 25538 1274 1 3 . 1 1 77 77 GLY H H 77 8.483 8.483 8.117 0.366 25538 1275 1 3 . 1 1 78 78 GLY N N 78 113.022 113.022 107.814 5.208 25538 1276 1 3 . 1 1 78 78 GLY C C 78 172.811 172.811 173.568 -0.757 25538 1277 1 3 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.526 1.226 25538 1278 1 3 . 1 1 78 78 GLY H H 78 8.892 8.892 8.377 0.515 25538 1279 1 3 . 1 1 79 79 ASP N N 79 119.457 119.457 119.622 -0.165 25538 1280 1 3 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.912 -0.020 25538 1281 1 3 . 1 1 79 79 ASP C C 79 176.302 176.302 176.921 -0.619 25538 1282 1 3 . 1 1 79 79 ASP CA C 79 53.047 53.047 52.876 0.171 25538 1283 1 3 . 1 1 79 79 ASP CB C 79 47.271 47.271 44.119 3.152 25538 1284 1 3 . 1 1 79 79 ASP H H 79 7.795 7.795 7.763 0.032 25538 1285 1 3 . 1 1 80 80 LEU N N 80 128.421 128.421 124.374 4.047 25538 1286 1 3 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.072 -0.008 25538 1287 1 3 . 1 1 80 80 LEU C C 80 179.059 179.059 178.573 0.486 25538 1288 1 3 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.796 0.727 25538 1289 1 3 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.134 0.513 25538 1290 1 3 . 1 1 80 80 LEU H H 80 8.549 8.549 8.833 -0.284 25538 1291 1 3 . 1 1 81 81 LEU N N 81 118.678 118.678 120.249 -1.571 25538 1292 1 3 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.070 -0.203 25538 1293 1 3 . 1 1 81 81 LEU C C 81 178.542 178.542 178.651 -0.109 25538 1294 1 3 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.160 0.366 25538 1295 1 3 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.276 1.373 25538 1296 1 3 . 1 1 81 81 LEU H H 81 9.974 9.974 9.221 0.753 25538 1297 1 3 . 1 1 82 82 GLY N N 82 105.642 105.642 105.931 -0.289 25538 1298 1 3 . 1 1 82 82 GLY C C 82 176.907 176.907 176.448 0.459 25538 1299 1 3 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.162 0.831 25538 1300 1 3 . 1 1 82 82 GLY H H 82 7.543 7.543 7.806 -0.263 25538 1301 1 3 . 1 1 83 83 GLU N N 83 121.762 121.762 122.446 -0.684 25538 1302 1 3 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.083 -0.101 25538 1303 1 3 . 1 1 83 83 GLU C C 83 179.215 179.215 179.325 -0.110 25538 1304 1 3 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.545 -0.384 25538 1305 1 3 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.509 -0.038 25538 1306 1 3 . 1 1 83 83 GLU H H 83 7.537 7.537 8.142 -0.605 25538 1307 1 3 . 1 1 84 84 LEU N N 84 118.478 118.478 117.915 0.563 25538 1308 1 3 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.179 -0.155 25538 1309 1 3 . 1 1 84 84 LEU C C 84 178.842 178.842 178.929 -0.087 25538 1310 1 3 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.455 1.020 25538 1311 1 3 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.626 0.766 25538 1312 1 3 . 1 1 84 84 LEU H H 84 7.717 7.717 8.380 -0.663 25538 1313 1 3 . 1 1 85 85 LEU N N 85 115.268 115.268 113.862 1.406 25538 1314 1 3 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.188 -0.411 25538 1315 1 3 . 1 1 85 85 LEU C C 85 177.773 177.773 177.845 -0.072 25538 1316 1 3 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.459 -0.084 25538 1317 1 3 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.585 1.308 25538 1318 1 3 . 1 1 85 85 LEU H H 85 8.091 8.091 7.963 0.128 25538 1319 1 3 . 1 1 86 86 GLY N N 86 107.339 107.339 106.629 0.710 25538 1320 1 3 . 1 1 86 86 GLY C C 86 174.143 174.143 174.266 -0.123 25538 1321 1 3 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.992 1.323 25538 1322 1 3 . 1 1 86 86 GLY H H 86 7.993 7.993 8.098 -0.105 25538 1323 1 3 . 1 1 87 87 ARG N N 87 113.292 113.292 119.989 -6.697 25538 1324 1 3 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.628 0.026 25538 1325 1 3 . 1 1 87 87 ARG C C 87 174.720 174.720 175.214 -0.494 25538 1326 1 3 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.057 -0.897 25538 1327 1 3 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.400 2.056 25538 1328 1 3 . 1 1 87 87 ARG H H 87 7.407 7.407 7.513 -0.106 25538 1329 1 3 . 1 1 88 88 GLN N N 88 116.042 116.042 122.176 -6.134 25538 1330 1 3 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.395 -0.349 25538 1331 1 3 . 1 1 88 88 GLN C C 88 175.946 175.946 174.690 1.256 25538 1332 1 3 . 1 1 88 88 GLN CA C 88 57.175 57.175 56.947 0.228 25538 1333 1 3 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.469 0.321 25538 1334 1 3 . 1 1 88 88 GLN H H 88 8.660 8.660 8.692 -0.032 25538 1335 1 3 . 1 1 89 89 SER N N 89 110.533 110.533 110.275 0.258 25538 1336 1 3 . 1 1 89 89 SER HA H 89 5.431 5.431 4.880 0.551 25538 1337 1 3 . 1 1 89 89 SER C C 89 173.062 173.062 172.916 0.146 25538 1338 1 3 . 1 1 89 89 SER CA C 89 57.019 57.019 56.564 0.455 25538 1339 1 3 . 1 1 89 89 SER CB C 89 66.577 66.577 65.699 0.878 25538 1340 1 3 . 1 1 89 89 SER H H 89 7.620 7.620 7.410 0.210 25538 1341 1 3 . 1 1 90 90 PHE N N 90 115.219 115.219 117.186 -1.967 25538 1342 1 3 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.906 -0.211 25538 1343 1 3 . 1 1 90 90 PHE C C 90 175.233 175.233 172.425 2.808 25538 1344 1 3 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.804 0.291 25538 1345 1 3 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.411 -0.065 25538 1346 1 3 . 1 1 90 90 PHE H H 90 8.557 8.557 7.728 0.829 25538 1347 1 3 . 1 1 91 91 SER N N 91 113.681 113.681 114.690 -1.009 25538 1348 1 3 . 1 1 91 91 SER HA H 91 5.391 5.391 5.239 0.152 25538 1349 1 3 . 1 1 91 91 SER CA C 91 54.564 54.564 54.600 -0.036 25538 1350 1 3 . 1 1 91 91 SER CB C 91 65.366 65.366 65.946 -0.580 25538 1351 1 3 . 1 1 91 91 SER H H 91 9.006 9.006 8.431 0.575 25538 1352 1 3 . 1 1 92 92 VAL N N 92 121.388 121.388 120.768 0.620 25538 1353 1 3 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.975 -0.032 25538 1354 1 3 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.005 -0.811 25538 1355 1 3 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.752 -0.521 25538 1356 1 3 . 1 1 92 92 VAL H H 92 8.983 8.983 8.753 0.230 25538 1357 1 3 . 1 1 93 93 LYS N N 93 116.161 116.161 120.256 -4.095 25538 1358 1 3 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.274 -0.291 25538 1359 1 3 . 1 1 93 93 LYS C C 93 177.088 177.088 176.285 0.803 25538 1360 1 3 . 1 1 93 93 LYS CA C 93 57.181 57.181 57.904 -0.723 25538 1361 1 3 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.523 -1.399 25538 1362 1 3 . 1 1 93 93 LYS H H 93 8.078 8.078 7.762 0.316 25538 1363 1 3 . 1 1 94 94 ASP N N 94 115.406 115.406 118.034 -2.628 25538 1364 1 3 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.066 -0.117 25538 1365 1 3 . 1 1 94 94 ASP CA C 94 51.557 51.557 52.557 -1.000 25538 1366 1 3 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.476 -0.031 25538 1367 1 3 . 1 1 94 94 ASP H H 94 7.385 7.385 8.219 -0.834 25538 1368 1 3 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.744 -0.307 25538 1369 1 3 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.380 0.509 25538 1370 1 3 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.209 1.551 25538 1371 1 3 . 1 1 96 96 SER N N 96 118.819 118.819 117.012 1.807 25538 1372 1 3 . 1 1 96 96 SER HA H 96 4.220 4.220 4.378 -0.158 25538 1373 1 3 . 1 1 96 96 SER CA C 96 64.406 64.406 63.550 0.856 25538 1374 1 3 . 1 1 96 96 SER CB C 96 61.862 61.862 60.918 0.944 25538 1375 1 3 . 1 1 96 96 SER H H 96 8.104 8.104 8.218 -0.114 25538 1376 1 3 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.469 -0.120 25538 1377 1 3 . 1 1 97 97 PRO CA C 97 65.911 65.911 64.880 1.031 25538 1378 1 3 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.567 -0.072 25538 1379 1 3 . 1 1 98 98 LEU N N 98 118.063 118.063 120.887 -2.824 25538 1380 1 3 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.751 -0.148 25538 1381 1 3 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.507 -0.406 25538 1382 1 3 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.344 0.052 25538 1383 1 3 . 1 1 98 98 LEU H H 98 7.087 7.087 7.020 0.067 25538 1384 1 3 . 1 1 99 99 TYR N N 99 118.063 118.063 118.052 0.011 25538 1385 1 3 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.010 0.134 25538 1386 1 3 . 1 1 99 99 TYR C C 99 178.914 178.914 177.877 1.037 25538 1387 1 3 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.604 -1.336 25538 1388 1 3 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.883 -0.915 25538 1389 1 3 . 1 1 99 99 TYR H H 99 7.594 7.594 8.394 -0.800 25538 1390 1 3 . 1 1 100 100 ASP N N 100 119.682 119.682 119.787 -0.105 25538 1391 1 3 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.319 0.007 25538 1392 1 3 . 1 1 100 100 ASP C C 100 177.737 177.737 178.208 -0.471 25538 1393 1 3 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.242 0.633 25538 1394 1 3 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.869 0.219 25538 1395 1 3 . 1 1 100 100 ASP H H 100 8.315 8.315 7.761 0.554 25538 1396 1 3 . 1 1 101 101 MET N N 101 118.784 118.784 118.716 0.068 25538 1397 1 3 . 1 1 101 101 MET HA H 101 3.969 3.969 4.127 -0.158 25538 1398 1 3 . 1 1 101 101 MET C C 101 180.080 180.080 177.911 2.169 25538 1399 1 3 . 1 1 101 101 MET CA C 101 59.420 59.420 58.439 0.981 25538 1400 1 3 . 1 1 101 101 MET CB C 101 31.642 31.642 32.181 -0.539 25538 1401 1 3 . 1 1 101 101 MET H H 101 7.245 7.245 7.847 -0.602 25538 1402 1 3 . 1 1 102 102 LEU N N 102 121.572 121.572 120.604 0.968 25538 1403 1 3 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.835 -0.134 25538 1404 1 3 . 1 1 102 102 LEU C C 102 178.566 178.566 179.331 -0.765 25538 1405 1 3 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.767 0.976 25538 1406 1 3 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.372 0.074 25538 1407 1 3 . 1 1 102 102 LEU H H 102 8.471 8.471 8.174 0.297 25538 1408 1 3 . 1 1 103 103 ARG N N 103 117.180 117.180 114.942 2.238 25538 1409 1 3 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.091 -0.121 25538 1410 1 3 . 1 1 103 103 ARG C C 103 178.818 178.818 177.355 1.463 25538 1411 1 3 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.587 0.916 25538 1412 1 3 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.434 -0.218 25538 1413 1 3 . 1 1 103 103 ARG H H 103 7.933 7.933 8.097 -0.164 25538 1414 1 3 . 1 1 104 104 LYS N N 104 114.206 114.206 115.982 -1.776 25538 1415 1 3 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.346 -0.130 25538 1416 1 3 . 1 1 104 104 LYS C C 104 177.556 177.556 176.849 0.707 25538 1417 1 3 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.569 0.184 25538 1418 1 3 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.931 1.169 25538 1419 1 3 . 1 1 104 104 LYS H H 104 7.171 7.171 7.356 -0.185 25538 1420 1 3 . 1 1 105 105 ASN N N 105 114.097 114.097 118.724 -4.627 25538 1421 1 3 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.773 -0.042 25538 1422 1 3 . 1 1 105 105 ASN C C 105 172.822 172.822 175.990 -3.168 25538 1423 1 3 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.060 -0.217 25538 1424 1 3 . 1 1 105 105 ASN CB C 105 42.341 42.341 39.995 2.346 25538 1425 1 3 . 1 1 105 105 ASN H H 105 7.661 7.661 7.794 -0.133 25538 1426 1 3 . 1 1 106 106 LEU N N 106 118.656 118.656 120.880 -2.224 25538 1427 1 3 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.488 0.183 25538 1428 1 3 . 1 1 106 106 LEU C C 106 175.658 175.658 176.961 -1.303 25538 1429 1 3 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.980 -0.822 25538 1430 1 3 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.771 0.839 25538 1431 1 3 . 1 1 106 106 LEU H H 106 7.440 7.440 8.273 -0.833 25538 1432 1 3 . 1 1 107 107 VAL N N 107 122.765 122.765 118.313 4.452 25538 1433 1 3 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.097 0.117 25538 1434 1 3 . 1 1 107 107 VAL C C 107 176.054 176.054 175.670 0.384 25538 1435 1 3 . 1 1 107 107 VAL CA C 107 62.143 62.143 61.786 0.357 25538 1436 1 3 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.339 1.217 25538 1437 1 3 . 1 1 107 107 VAL H H 107 8.158 8.158 8.480 -0.322 25538 1438 1 3 . 1 1 108 108 THR N N 108 120.921 120.921 117.775 3.146 25538 1439 1 3 . 1 1 108 108 THR HA H 108 4.332 4.332 4.220 0.112 25538 1440 1 3 . 1 1 108 108 THR C C 108 174.216 174.216 174.307 -0.091 25538 1441 1 3 . 1 1 108 108 THR CA C 108 62.726 62.726 63.777 -1.051 25538 1442 1 3 . 1 1 108 108 THR CB C 108 69.777 69.777 68.535 1.242 25538 1443 1 3 . 1 1 108 108 THR H H 108 8.524 8.524 8.223 0.301 25538 1444 1 3 . 1 1 109 109 LEU N N 109 125.518 125.518 127.250 -1.732 25538 1445 1 3 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.572 -0.217 25538 1446 1 3 . 1 1 109 109 LEU C C 109 176.523 176.523 175.976 0.547 25538 1447 1 3 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.219 0.828 25538 1448 1 3 . 1 1 109 109 LEU CB C 109 42.590 42.590 43.273 -0.683 25538 1449 1 3 . 1 1 109 109 LEU H H 109 8.312 8.312 8.130 0.182 25538 1450 1 3 . 1 1 110 110 ALA N N 110 125.099 125.099 123.560 1.539 25538 1451 1 3 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.694 -0.328 25538 1452 1 3 . 1 1 110 110 ALA C C 110 176.847 176.847 175.689 1.158 25538 1453 1 3 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.738 0.890 25538 1454 1 3 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.966 -1.260 25538 1455 1 3 . 1 1 110 110 ALA H H 110 8.257 8.257 8.053 0.204 25538 1456 1 4 . 1 1 24 24 ILE N N 24 120.669 120.669 122.661 -1.992 25538 1457 1 4 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.035 0.112 25538 1458 1 4 . 1 1 24 24 ILE C C 24 175.650 175.650 176.272 -0.622 25538 1459 1 4 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.764 -0.422 25538 1460 1 4 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.683 1.294 25538 1461 1 4 . 1 1 24 24 ILE H H 24 8.122 8.122 8.153 -0.031 25538 1462 1 4 . 1 1 25 25 ASN N N 25 121.886 121.886 125.339 -3.453 25538 1463 1 4 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.872 -0.170 25538 1464 1 4 . 1 1 25 25 ASN C C 25 174.775 174.775 174.226 0.549 25538 1465 1 4 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.555 1.175 25538 1466 1 4 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.195 -0.894 25538 1467 1 4 . 1 1 25 25 ASN H H 25 8.436 8.436 8.483 -0.047 25538 1468 1 4 . 1 1 26 26 GLN N N 26 118.706 118.706 119.671 -0.965 25538 1469 1 4 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.286 0.296 25538 1470 1 4 . 1 1 26 26 GLN C C 26 175.291 175.291 174.811 0.480 25538 1471 1 4 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.312 -0.672 25538 1472 1 4 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.073 3.145 25538 1473 1 4 . 1 1 26 26 GLN H H 26 8.208 8.208 8.500 -0.292 25538 1474 1 4 . 1 1 27 27 VAL N N 27 113.658 113.658 121.569 -7.911 25538 1475 1 4 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.351 0.525 25538 1476 1 4 . 1 1 27 27 VAL C C 27 173.900 173.900 173.910 -0.010 25538 1477 1 4 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.979 -1.863 25538 1478 1 4 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.302 1.712 25538 1479 1 4 . 1 1 27 27 VAL H H 27 9.401 9.401 8.229 1.172 25538 1480 1 4 . 1 1 28 28 ARG N N 28 121.535 121.535 124.748 -3.213 25538 1481 1 4 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.810 0.647 25538 1482 1 4 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.159 -0.588 25538 1483 1 4 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.397 1.255 25538 1484 1 4 . 1 1 28 28 ARG H H 28 8.904 8.904 8.360 0.544 25538 1485 1 4 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.704 0.305 25538 1486 1 4 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.964 -0.024 25538 1487 1 4 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.375 -1.121 25538 1488 1 4 . 1 1 30 30 LYS N N 30 121.258 121.258 119.186 2.072 25538 1489 1 4 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.463 -0.262 25538 1490 1 4 . 1 1 30 30 LYS C C 30 177.557 177.557 177.410 0.147 25538 1491 1 4 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.059 2.325 25538 1492 1 4 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.505 -0.655 25538 1493 1 4 . 1 1 30 30 LYS H H 30 8.477 8.477 8.204 0.273 25538 1494 1 4 . 1 1 31 31 LEU N N 31 121.577 121.577 126.637 -5.060 25538 1495 1 4 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.152 -0.090 25538 1496 1 4 . 1 1 31 31 LEU CA C 31 60.196 60.196 58.927 1.269 25538 1497 1 4 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.088 -0.313 25538 1498 1 4 . 1 1 31 31 LEU H H 31 8.599 8.599 8.945 -0.346 25538 1499 1 4 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.239 -0.102 25538 1500 1 4 . 1 1 32 32 PRO CA C 32 66.485 66.485 64.924 1.561 25538 1501 1 4 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.992 0.594 25538 1502 1 4 . 1 1 33 33 LEU N N 33 113.299 113.299 118.501 -5.202 25538 1503 1 4 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.375 -0.400 25538 1504 1 4 . 1 1 33 33 LEU C C 33 177.726 177.726 178.115 -0.389 25538 1505 1 4 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.449 0.691 25538 1506 1 4 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.849 -1.019 25538 1507 1 4 . 1 1 33 33 LEU H H 33 6.610 6.610 7.487 -0.877 25538 1508 1 4 . 1 1 34 34 LEU N N 34 121.730 121.730 121.977 -0.247 25538 1509 1 4 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.807 -0.411 25538 1510 1 4 . 1 1 34 34 LEU C C 34 177.467 177.467 178.265 -0.798 25538 1511 1 4 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.522 -0.261 25538 1512 1 4 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.792 0.044 25538 1513 1 4 . 1 1 34 34 LEU H H 34 8.411 8.411 8.790 -0.379 25538 1514 1 4 . 1 1 35 35 LYS N N 35 114.927 114.927 117.066 -2.139 25538 1515 1 4 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.932 -0.128 25538 1516 1 4 . 1 1 35 35 LYS C C 35 180.207 180.207 179.105 1.102 25538 1517 1 4 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.522 1.618 25538 1518 1 4 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.653 0.916 25538 1519 1 4 . 1 1 35 35 LYS H H 35 7.964 7.964 8.015 -0.051 25538 1520 1 4 . 1 1 36 36 ILE N N 36 119.935 119.935 120.207 -0.272 25538 1521 1 4 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.526 -0.223 25538 1522 1 4 . 1 1 36 36 ILE C C 36 176.418 176.418 177.901 -1.483 25538 1523 1 4 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.949 1.535 25538 1524 1 4 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.375 1.254 25538 1525 1 4 . 1 1 36 36 ILE H H 36 6.739 6.739 7.472 -0.733 25538 1526 1 4 . 1 1 37 37 LEU N N 37 116.682 116.682 120.598 -3.916 25538 1527 1 4 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.445 0.083 25538 1528 1 4 . 1 1 37 37 LEU C C 37 180.263 180.263 179.088 1.175 25538 1529 1 4 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.153 0.072 25538 1530 1 4 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.648 -1.506 25538 1531 1 4 . 1 1 37 37 LEU H H 37 7.633 7.633 7.649 -0.016 25538 1532 1 4 . 1 1 38 38 HIS N N 38 117.463 117.463 117.669 -0.206 25538 1533 1 4 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.165 0.517 25538 1534 1 4 . 1 1 38 38 HIS C C 38 179.936 179.936 177.894 2.042 25538 1535 1 4 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.915 -1.624 25538 1536 1 4 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.841 0.891 25538 1537 1 4 . 1 1 38 38 HIS H H 38 8.932 8.932 8.589 0.343 25538 1538 1 4 . 1 1 39 39 ALA N N 39 124.102 124.102 121.799 2.303 25538 1539 1 4 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.132 0.119 25538 1540 1 4 . 1 1 39 39 ALA C C 39 178.764 178.764 178.669 0.095 25538 1541 1 4 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.195 0.928 25538 1542 1 4 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.564 -0.453 25538 1543 1 4 . 1 1 39 39 ALA H H 39 7.951 7.951 8.089 -0.138 25538 1544 1 4 . 1 1 40 40 ALA N N 40 118.164 118.164 118.927 -0.763 25538 1545 1 4 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.322 0.099 25538 1546 1 4 . 1 1 40 40 ALA C C 40 176.261 176.261 177.843 -1.582 25538 1547 1 4 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.077 -0.941 25538 1548 1 4 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.315 1.797 25538 1549 1 4 . 1 1 40 40 ALA H H 40 7.647 7.647 8.009 -0.362 25538 1550 1 4 . 1 1 41 41 GLY N N 41 103.894 103.894 104.158 -0.264 25538 1551 1 4 . 1 1 41 41 GLY C C 41 174.412 174.412 174.251 0.161 25538 1552 1 4 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.695 0.159 25538 1553 1 4 . 1 1 41 41 GLY H H 41 7.677 7.677 7.712 -0.035 25538 1554 1 4 . 1 1 42 42 ALA N N 42 123.549 123.549 122.888 0.661 25538 1555 1 4 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.317 -0.687 25538 1556 1 4 . 1 1 42 42 ALA C C 42 175.956 175.956 175.455 0.501 25538 1557 1 4 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.573 1.107 25538 1558 1 4 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.516 -1.283 25538 1559 1 4 . 1 1 42 42 ALA H H 42 7.559 7.559 7.552 0.007 25538 1560 1 4 . 1 1 43 43 GLN N N 43 117.516 117.516 117.468 0.048 25538 1561 1 4 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.649 0.729 25538 1562 1 4 . 1 1 43 43 GLN C C 43 175.528 175.528 174.810 0.718 25538 1563 1 4 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.403 -0.784 25538 1564 1 4 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.124 1.072 25538 1565 1 4 . 1 1 43 43 GLN H H 43 8.531 8.531 8.331 0.200 25538 1566 1 4 . 1 1 44 44 GLY N N 44 108.084 108.084 112.552 -4.468 25538 1567 1 4 . 1 1 44 44 GLY C C 44 174.073 174.073 174.526 -0.453 25538 1568 1 4 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.673 -0.050 25538 1569 1 4 . 1 1 44 44 GLY H H 44 8.535 8.535 8.074 0.461 25538 1570 1 4 . 1 1 45 45 GLU N N 45 114.485 114.485 123.820 -9.335 25538 1571 1 4 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.784 0.826 25538 1572 1 4 . 1 1 45 45 GLU C C 45 174.007 174.007 174.763 -0.756 25538 1573 1 4 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.250 0.600 25538 1574 1 4 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.772 4.263 25538 1575 1 4 . 1 1 45 45 GLU H H 45 8.293 8.293 8.770 -0.477 25538 1576 1 4 . 1 1 46 46 MET N N 46 115.370 115.370 120.328 -4.958 25538 1577 1 4 . 1 1 46 46 MET HA H 46 5.047 5.047 4.327 0.720 25538 1578 1 4 . 1 1 46 46 MET C C 46 174.637 174.637 173.888 0.749 25538 1579 1 4 . 1 1 46 46 MET CA C 46 54.239 54.239 54.841 -0.602 25538 1580 1 4 . 1 1 46 46 MET CB C 46 35.727 35.727 34.129 1.598 25538 1581 1 4 . 1 1 46 46 MET H H 46 6.871 6.871 6.923 -0.052 25538 1582 1 4 . 1 1 47 47 PHE N N 47 118.922 118.922 120.630 -1.708 25538 1583 1 4 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.929 0.175 25538 1584 1 4 . 1 1 47 47 PHE C C 47 175.742 175.742 174.569 1.173 25538 1585 1 4 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.618 2.747 25538 1586 1 4 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.337 6.545 25538 1587 1 4 . 1 1 47 47 PHE H H 47 8.611 8.611 7.813 0.798 25538 1588 1 4 . 1 1 48 48 THR N N 48 110.603 110.603 112.286 -1.683 25538 1589 1 4 . 1 1 48 48 THR HA H 48 4.982 4.982 4.454 0.528 25538 1590 1 4 . 1 1 48 48 THR C C 48 176.666 176.666 175.916 0.750 25538 1591 1 4 . 1 1 48 48 THR CA C 48 61.021 61.021 60.565 0.457 25538 1592 1 4 . 1 1 48 48 THR CB C 48 71.136 71.136 70.488 0.648 25538 1593 1 4 . 1 1 48 48 THR H H 48 9.113 9.113 8.154 0.959 25538 1594 1 4 . 1 1 49 49 VAL N N 49 121.595 121.595 121.067 0.528 25538 1595 1 4 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.614 -0.221 25538 1596 1 4 . 1 1 49 49 VAL C C 49 177.726 177.726 177.535 0.191 25538 1597 1 4 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.867 1.342 25538 1598 1 4 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.998 -0.637 25538 1599 1 4 . 1 1 49 49 VAL H H 49 9.074 9.074 8.845 0.229 25538 1600 1 4 . 1 1 50 50 LYS N N 50 118.504 118.504 118.740 -0.236 25538 1601 1 4 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.990 -0.031 25538 1602 1 4 . 1 1 50 50 LYS C C 50 180.060 180.060 178.953 1.107 25538 1603 1 4 . 1 1 50 50 LYS CA C 50 59.920 59.920 60.036 -0.116 25538 1604 1 4 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.864 0.943 25538 1605 1 4 . 1 1 50 50 LYS H H 50 8.131 8.131 8.543 -0.412 25538 1606 1 4 . 1 1 51 51 GLU N N 51 119.547 119.547 119.868 -0.321 25538 1607 1 4 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.189 -0.151 25538 1608 1 4 . 1 1 51 51 GLU C C 51 178.583 178.583 179.050 -0.467 25538 1609 1 4 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.778 1.078 25538 1610 1 4 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.636 1.766 25538 1611 1 4 . 1 1 51 51 GLU H H 51 7.882 7.882 7.787 0.095 25538 1612 1 4 . 1 1 52 52 VAL N N 52 119.078 119.078 121.300 -2.222 25538 1613 1 4 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.525 -0.271 25538 1614 1 4 . 1 1 52 52 VAL C C 52 177.546 177.546 178.520 -0.974 25538 1615 1 4 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.727 1.134 25538 1616 1 4 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.630 -0.399 25538 1617 1 4 . 1 1 52 52 VAL H H 52 8.258 8.258 8.730 -0.472 25538 1618 1 4 . 1 1 53 53 MET N N 53 114.606 114.606 116.763 -2.157 25538 1619 1 4 . 1 1 53 53 MET HA H 53 4.231 4.231 4.132 0.099 25538 1620 1 4 . 1 1 53 53 MET C C 53 178.640 178.640 178.339 0.301 25538 1621 1 4 . 1 1 53 53 MET CA C 53 57.902 57.902 57.384 0.518 25538 1622 1 4 . 1 1 53 53 MET CB C 53 32.640 32.640 30.915 1.725 25538 1623 1 4 . 1 1 53 53 MET H H 53 8.201 8.201 8.495 -0.294 25538 1624 1 4 . 1 1 54 54 HIS N N 54 118.707 118.707 120.534 -1.827 25538 1625 1 4 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.045 0.101 25538 1626 1 4 . 1 1 54 54 HIS C C 54 178.531 178.531 177.568 0.963 25538 1627 1 4 . 1 1 54 54 HIS CA C 54 60.012 60.012 59.911 0.101 25538 1628 1 4 . 1 1 54 54 HIS CB C 54 30.160 30.160 30.266 -0.106 25538 1629 1 4 . 1 1 54 54 HIS H H 54 8.122 8.122 7.818 0.304 25538 1630 1 4 . 1 1 55 55 TYR N N 55 116.875 116.875 118.028 -1.153 25538 1631 1 4 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.101 -0.233 25538 1632 1 4 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.440 2.297 25538 1633 1 4 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.718 1.317 25538 1634 1 4 . 1 1 55 55 TYR H H 55 8.480 8.480 8.565 -0.085 25538 1635 1 4 . 1 1 56 56 LEU N N 56 120.976 120.976 120.576 0.400 25538 1636 1 4 . 1 1 56 56 LEU HA H 56 3.831 3.831 4.004 -0.173 25538 1637 1 4 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.414 -0.051 25538 1638 1 4 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.477 0.915 25538 1639 1 4 . 1 1 56 56 LEU H H 56 8.452 8.452 8.318 0.134 25538 1640 1 4 . 1 1 57 57 GLY N N 57 105.050 105.050 106.659 -1.609 25538 1641 1 4 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.248 -0.102 25538 1642 1 4 . 1 1 57 57 GLY H H 57 7.710 7.710 8.617 -0.907 25538 1643 1 4 . 1 1 58 58 GLN N N 58 119.017 119.017 122.302 -3.285 25538 1644 1 4 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.918 -0.091 25538 1645 1 4 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.020 -0.342 25538 1646 1 4 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.577 0.298 25538 1647 1 4 . 1 1 58 58 GLN H H 58 7.649 7.649 7.941 -0.292 25538 1648 1 4 . 1 1 59 59 TYR N N 59 120.995 120.995 121.465 -0.470 25538 1649 1 4 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.170 -0.366 25538 1650 1 4 . 1 1 59 59 TYR C C 59 176.215 176.215 177.622 -1.407 25538 1651 1 4 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.024 0.541 25538 1652 1 4 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.484 0.119 25538 1653 1 4 . 1 1 59 59 TYR H H 59 8.500 8.500 8.466 0.034 25538 1654 1 4 . 1 1 60 60 ILE N N 60 116.781 116.781 120.002 -3.221 25538 1655 1 4 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.612 -0.337 25538 1656 1 4 . 1 1 60 60 ILE C C 60 177.952 177.952 178.191 -0.239 25538 1657 1 4 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.884 -0.214 25538 1658 1 4 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.919 0.639 25538 1659 1 4 . 1 1 60 60 ILE H H 60 7.612 7.612 8.701 -1.089 25538 1660 1 4 . 1 1 61 61 MET N N 61 115.626 115.626 118.575 -2.949 25538 1661 1 4 . 1 1 61 61 MET HA H 61 4.529 4.529 4.175 0.354 25538 1662 1 4 . 1 1 61 61 MET C C 61 180.579 180.579 178.480 2.099 25538 1663 1 4 . 1 1 61 61 MET CA C 61 57.662 57.662 58.459 -0.797 25538 1664 1 4 . 1 1 61 61 MET CB C 61 31.449 31.449 32.100 -0.651 25538 1665 1 4 . 1 1 61 61 MET H H 61 7.717 7.717 8.010 -0.293 25538 1666 1 4 . 1 1 62 62 VAL N N 62 120.907 120.907 118.532 2.375 25538 1667 1 4 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.711 0.118 25538 1668 1 4 . 1 1 62 62 VAL C C 62 178.786 178.786 177.952 0.834 25538 1669 1 4 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.306 0.695 25538 1670 1 4 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.895 0.088 25538 1671 1 4 . 1 1 62 62 VAL H H 62 9.021 9.021 8.226 0.795 25538 1672 1 4 . 1 1 63 63 LYS N N 63 116.704 116.704 118.285 -1.581 25538 1673 1 4 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.150 -0.093 25538 1674 1 4 . 1 1 63 63 LYS C C 63 174.784 174.784 175.943 -1.159 25538 1675 1 4 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.780 0.303 25538 1676 1 4 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.421 -1.089 25538 1677 1 4 . 1 1 63 63 LYS H H 63 7.824 7.824 8.017 -0.193 25538 1678 1 4 . 1 1 64 64 GLN N N 64 115.371 115.371 113.605 1.766 25538 1679 1 4 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.177 -0.556 25538 1680 1 4 . 1 1 64 64 GLN C C 64 175.550 175.550 175.654 -0.104 25538 1681 1 4 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.308 0.671 25538 1682 1 4 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.947 0.301 25538 1683 1 4 . 1 1 64 64 GLN H H 64 7.653 7.653 8.147 -0.494 25538 1684 1 4 . 1 1 65 65 LEU N N 65 115.332 115.332 121.192 -5.860 25538 1685 1 4 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.642 -0.207 25538 1686 1 4 . 1 1 65 65 LEU C C 65 175.979 175.979 175.575 0.404 25538 1687 1 4 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.826 0.775 25538 1688 1 4 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.510 1.426 25538 1689 1 4 . 1 1 65 65 LEU H H 65 8.059 8.059 8.287 -0.228 25538 1690 1 4 . 1 1 66 66 TYR N N 66 113.240 113.240 114.953 -1.713 25538 1691 1 4 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.091 0.169 25538 1692 1 4 . 1 1 66 66 TYR C C 66 174.107 174.107 173.779 0.328 25538 1693 1 4 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.204 -0.530 25538 1694 1 4 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.775 -1.016 25538 1695 1 4 . 1 1 66 66 TYR H H 66 6.845 6.845 7.320 -0.475 25538 1696 1 4 . 1 1 67 67 ASP N N 67 122.255 122.255 121.032 1.223 25538 1697 1 4 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.832 -0.397 25538 1698 1 4 . 1 1 67 67 ASP C C 67 176.779 176.779 176.851 -0.072 25538 1699 1 4 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.927 0.859 25538 1700 1 4 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.880 -0.521 25538 1701 1 4 . 1 1 67 67 ASP H H 67 8.341 8.341 8.236 0.105 25538 1702 1 4 . 1 1 68 68 GLN N N 68 123.090 123.090 123.644 -0.554 25538 1703 1 4 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.165 -0.284 25538 1704 1 4 . 1 1 68 68 GLN C C 68 177.122 177.122 176.708 0.414 25538 1705 1 4 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.070 0.819 25538 1706 1 4 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.644 0.421 25538 1707 1 4 . 1 1 68 68 GLN H H 68 8.552 8.552 8.670 -0.118 25538 1708 1 4 . 1 1 69 69 GLN N N 69 115.295 115.295 119.316 -4.021 25538 1709 1 4 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.445 -0.106 25538 1710 1 4 . 1 1 69 69 GLN C C 69 176.272 176.272 176.823 -0.551 25538 1711 1 4 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.507 0.428 25538 1712 1 4 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.451 -0.535 25538 1713 1 4 . 1 1 69 69 GLN H H 69 8.347 8.347 8.496 -0.149 25538 1714 1 4 . 1 1 70 70 GLU N N 70 122.341 122.341 122.193 0.148 25538 1715 1 4 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.574 -0.083 25538 1716 1 4 . 1 1 70 70 GLU C C 70 175.832 175.832 176.364 -0.532 25538 1717 1 4 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.197 -0.112 25538 1718 1 4 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.412 1.126 25538 1719 1 4 . 1 1 70 70 GLU H H 70 8.237 8.237 8.726 -0.489 25538 1720 1 4 . 1 1 71 71 GLN N N 71 119.185 119.185 119.173 0.012 25538 1721 1 4 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.323 0.178 25538 1722 1 4 . 1 1 71 71 GLN C C 71 173.848 173.848 176.282 -2.434 25538 1723 1 4 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.982 1.818 25538 1724 1 4 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.935 -0.753 25538 1725 1 4 . 1 1 71 71 GLN H H 71 8.206 8.206 7.869 0.337 25538 1726 1 4 . 1 1 72 72 HIS N N 72 109.549 109.549 112.272 -2.723 25538 1727 1 4 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.526 -0.346 25538 1728 1 4 . 1 1 72 72 HIS C C 72 175.790 175.790 174.450 1.340 25538 1729 1 4 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.507 0.774 25538 1730 1 4 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.817 1.258 25538 1731 1 4 . 1 1 72 72 HIS H H 72 7.383 7.383 8.140 -0.757 25538 1732 1 4 . 1 1 73 73 MET N N 73 119.174 119.174 120.453 -1.279 25538 1733 1 4 . 1 1 73 73 MET HA H 73 4.570 4.570 4.665 -0.095 25538 1734 1 4 . 1 1 73 73 MET C C 73 174.242 174.242 174.011 0.231 25538 1735 1 4 . 1 1 73 73 MET CA C 73 53.027 53.027 53.803 -0.777 25538 1736 1 4 . 1 1 73 73 MET CB C 73 31.709 31.709 34.417 -2.708 25538 1737 1 4 . 1 1 73 73 MET H H 73 7.655 7.655 7.445 0.210 25538 1738 1 4 . 1 1 74 74 VAL N N 74 122.522 122.522 125.621 -3.099 25538 1739 1 4 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.235 -0.312 25538 1740 1 4 . 1 1 74 74 VAL C C 74 174.851 174.851 174.419 0.432 25538 1741 1 4 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.585 0.809 25538 1742 1 4 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.255 0.532 25538 1743 1 4 . 1 1 74 74 VAL H H 74 8.443 8.443 8.601 -0.158 25538 1744 1 4 . 1 1 75 75 TYR N N 75 125.773 125.773 124.229 1.544 25538 1745 1 4 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.058 -0.306 25538 1746 1 4 . 1 1 75 75 TYR C C 75 174.923 174.923 176.462 -1.539 25538 1747 1 4 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.809 1.003 25538 1748 1 4 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.484 0.149 25538 1749 1 4 . 1 1 75 75 TYR H H 75 8.256 8.256 8.869 -0.613 25538 1750 1 4 . 1 1 76 76 CYS N N 76 116.702 116.702 122.777 -6.075 25538 1751 1 4 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.566 0.181 25538 1752 1 4 . 1 1 76 76 CYS C C 76 174.231 174.231 176.804 -2.573 25538 1753 1 4 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.370 -3.267 25538 1754 1 4 . 1 1 76 76 CYS CB C 76 29.589 29.589 26.378 3.211 25538 1755 1 4 . 1 1 76 76 CYS H H 76 8.266 8.266 8.563 -0.297 25538 1756 1 4 . 1 1 77 77 GLY N N 77 111.675 111.675 111.165 0.510 25538 1757 1 4 . 1 1 77 77 GLY C C 77 174.662 174.662 175.018 -0.356 25538 1758 1 4 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.983 0.166 25538 1759 1 4 . 1 1 77 77 GLY H H 77 8.483 8.483 7.746 0.737 25538 1760 1 4 . 1 1 78 78 GLY N N 78 113.022 113.022 107.202 5.820 25538 1761 1 4 . 1 1 78 78 GLY C C 78 172.811 172.811 173.282 -0.471 25538 1762 1 4 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.367 1.385 25538 1763 1 4 . 1 1 78 78 GLY H H 78 8.892 8.892 8.098 0.794 25538 1764 1 4 . 1 1 79 79 ASP N N 79 119.457 119.457 121.246 -1.789 25538 1765 1 4 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.933 -0.041 25538 1766 1 4 . 1 1 79 79 ASP C C 79 176.302 176.302 176.669 -0.367 25538 1767 1 4 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.406 -0.358 25538 1768 1 4 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.991 3.280 25538 1769 1 4 . 1 1 79 79 ASP H H 79 7.795 7.795 7.867 -0.072 25538 1770 1 4 . 1 1 80 80 LEU N N 80 128.421 128.421 126.979 1.442 25538 1771 1 4 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.154 -0.090 25538 1772 1 4 . 1 1 80 80 LEU C C 80 179.059 179.059 178.058 1.001 25538 1773 1 4 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.690 0.833 25538 1774 1 4 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.303 0.343 25538 1775 1 4 . 1 1 80 80 LEU H H 80 8.549 8.549 8.895 -0.346 25538 1776 1 4 . 1 1 81 81 LEU N N 81 118.678 118.678 119.936 -1.258 25538 1777 1 4 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.098 -0.231 25538 1778 1 4 . 1 1 81 81 LEU C C 81 178.542 178.542 178.463 0.079 25538 1779 1 4 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.096 0.430 25538 1780 1 4 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.394 1.255 25538 1781 1 4 . 1 1 81 81 LEU H H 81 9.974 9.974 9.232 0.742 25538 1782 1 4 . 1 1 82 82 GLY N N 82 105.642 105.642 106.555 -0.913 25538 1783 1 4 . 1 1 82 82 GLY C C 82 176.907 176.907 176.392 0.515 25538 1784 1 4 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.230 0.763 25538 1785 1 4 . 1 1 82 82 GLY H H 82 7.543 7.543 7.795 -0.252 25538 1786 1 4 . 1 1 83 83 GLU N N 83 121.762 121.762 122.091 -0.329 25538 1787 1 4 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.070 -0.088 25538 1788 1 4 . 1 1 83 83 GLU C C 83 179.215 179.215 179.250 -0.035 25538 1789 1 4 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.297 -0.136 25538 1790 1 4 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.376 0.095 25538 1791 1 4 . 1 1 83 83 GLU H H 83 7.537 7.537 8.122 -0.585 25538 1792 1 4 . 1 1 84 84 LEU N N 84 118.478 118.478 120.044 -1.566 25538 1793 1 4 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.095 -0.071 25538 1794 1 4 . 1 1 84 84 LEU C C 84 178.842 178.842 179.268 -0.426 25538 1795 1 4 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.437 0.038 25538 1796 1 4 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.867 0.525 25538 1797 1 4 . 1 1 84 84 LEU H H 84 7.717 7.717 8.135 -0.418 25538 1798 1 4 . 1 1 85 85 LEU N N 85 115.268 115.268 113.944 1.324 25538 1799 1 4 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.192 -0.415 25538 1800 1 4 . 1 1 85 85 LEU C C 85 177.773 177.773 177.814 -0.041 25538 1801 1 4 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.227 0.148 25538 1802 1 4 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.220 1.673 25538 1803 1 4 . 1 1 85 85 LEU H H 85 8.091 8.091 8.120 -0.029 25538 1804 1 4 . 1 1 86 86 GLY N N 86 107.339 107.339 106.795 0.544 25538 1805 1 4 . 1 1 86 86 GLY C C 86 174.143 174.143 174.326 -0.183 25538 1806 1 4 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.108 1.207 25538 1807 1 4 . 1 1 86 86 GLY H H 86 7.993 7.993 8.025 -0.032 25538 1808 1 4 . 1 1 87 87 ARG N N 87 113.292 113.292 119.942 -6.650 25538 1809 1 4 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.623 0.031 25538 1810 1 4 . 1 1 87 87 ARG C C 87 174.720 174.720 175.499 -0.779 25538 1811 1 4 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.019 -0.859 25538 1812 1 4 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.477 1.980 25538 1813 1 4 . 1 1 87 87 ARG H H 87 7.407 7.407 7.492 -0.085 25538 1814 1 4 . 1 1 88 88 GLN N N 88 116.042 116.042 121.984 -5.942 25538 1815 1 4 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.331 -0.285 25538 1816 1 4 . 1 1 88 88 GLN C C 88 175.946 175.946 174.807 1.139 25538 1817 1 4 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.449 -0.274 25538 1818 1 4 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.359 0.431 25538 1819 1 4 . 1 1 88 88 GLN H H 88 8.660 8.660 8.718 -0.058 25538 1820 1 4 . 1 1 89 89 SER N N 89 110.533 110.533 110.608 -0.075 25538 1821 1 4 . 1 1 89 89 SER HA H 89 5.431 5.431 4.920 0.511 25538 1822 1 4 . 1 1 89 89 SER C C 89 173.062 173.062 173.055 0.007 25538 1823 1 4 . 1 1 89 89 SER CA C 89 57.019 57.019 56.403 0.616 25538 1824 1 4 . 1 1 89 89 SER CB C 89 66.577 66.577 65.792 0.785 25538 1825 1 4 . 1 1 89 89 SER H H 89 7.620 7.620 7.472 0.148 25538 1826 1 4 . 1 1 90 90 PHE N N 90 115.219 115.219 117.671 -2.452 25538 1827 1 4 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.885 -0.190 25538 1828 1 4 . 1 1 90 90 PHE C C 90 175.233 175.233 172.703 2.530 25538 1829 1 4 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.530 0.565 25538 1830 1 4 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.516 -0.170 25538 1831 1 4 . 1 1 90 90 PHE H H 90 8.557 8.557 7.648 0.909 25538 1832 1 4 . 1 1 91 91 SER N N 91 113.681 113.681 115.425 -1.744 25538 1833 1 4 . 1 1 91 91 SER HA H 91 5.391 5.391 4.980 0.411 25538 1834 1 4 . 1 1 91 91 SER CA C 91 54.564 54.564 55.376 -0.812 25538 1835 1 4 . 1 1 91 91 SER CB C 91 65.366 65.366 65.137 0.229 25538 1836 1 4 . 1 1 91 91 SER H H 91 9.006 9.006 8.762 0.244 25538 1837 1 4 . 1 1 92 92 VAL N N 92 121.388 121.388 126.436 -5.048 25538 1838 1 4 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.925 0.018 25538 1839 1 4 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.243 -0.048 25538 1840 1 4 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.244 -1.013 25538 1841 1 4 . 1 1 92 92 VAL H H 92 8.983 8.983 8.986 -0.003 25538 1842 1 4 . 1 1 93 93 LYS N N 93 116.161 116.161 116.187 -0.026 25538 1843 1 4 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.395 -0.412 25538 1844 1 4 . 1 1 93 93 LYS C C 93 177.088 177.088 176.212 0.876 25538 1845 1 4 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.313 0.868 25538 1846 1 4 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.242 -0.118 25538 1847 1 4 . 1 1 93 93 LYS H H 93 8.078 8.078 7.432 0.646 25538 1848 1 4 . 1 1 94 94 ASP N N 94 115.406 115.406 120.586 -5.180 25538 1849 1 4 . 1 1 94 94 ASP HA H 94 4.949 4.949 4.991 -0.042 25538 1850 1 4 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.545 0.012 25538 1851 1 4 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.082 -0.637 25538 1852 1 4 . 1 1 94 94 ASP H H 94 7.385 7.385 7.842 -0.457 25538 1853 1 4 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.747 -0.310 25538 1854 1 4 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.261 0.628 25538 1855 1 4 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.276 1.484 25538 1856 1 4 . 1 1 96 96 SER N N 96 118.819 118.819 117.230 1.589 25538 1857 1 4 . 1 1 96 96 SER HA H 96 4.220 4.220 4.121 0.099 25538 1858 1 4 . 1 1 96 96 SER CA C 96 64.406 64.406 63.536 0.869 25538 1859 1 4 . 1 1 96 96 SER CB C 96 61.862 61.862 61.081 0.781 25538 1860 1 4 . 1 1 96 96 SER H H 96 8.104 8.104 7.976 0.128 25538 1861 1 4 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.369 -0.020 25538 1862 1 4 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.286 0.625 25538 1863 1 4 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.465 0.030 25538 1864 1 4 . 1 1 98 98 LEU N N 98 118.063 118.063 120.766 -2.703 25538 1865 1 4 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.868 -0.265 25538 1866 1 4 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.919 -0.818 25538 1867 1 4 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.663 -0.267 25538 1868 1 4 . 1 1 98 98 LEU H H 98 7.087 7.087 7.424 -0.337 25538 1869 1 4 . 1 1 99 99 TYR N N 99 118.063 118.063 118.782 -0.719 25538 1870 1 4 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.041 0.103 25538 1871 1 4 . 1 1 99 99 TYR C C 99 178.914 178.914 178.072 0.842 25538 1872 1 4 . 1 1 99 99 TYR CA C 99 61.268 61.268 61.056 0.212 25538 1873 1 4 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.681 -0.713 25538 1874 1 4 . 1 1 99 99 TYR H H 99 7.594 7.594 8.809 -1.215 25538 1875 1 4 . 1 1 100 100 ASP N N 100 119.682 119.682 119.757 -0.075 25538 1876 1 4 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.321 0.005 25538 1877 1 4 . 1 1 100 100 ASP C C 100 177.737 177.737 178.304 -0.567 25538 1878 1 4 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.257 0.618 25538 1879 1 4 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.900 0.188 25538 1880 1 4 . 1 1 100 100 ASP H H 100 8.315 8.315 7.920 0.395 25538 1881 1 4 . 1 1 101 101 MET N N 101 118.784 118.784 118.779 0.005 25538 1882 1 4 . 1 1 101 101 MET HA H 101 3.969 3.969 4.091 -0.122 25538 1883 1 4 . 1 1 101 101 MET C C 101 180.080 180.080 177.861 2.219 25538 1884 1 4 . 1 1 101 101 MET CA C 101 59.420 59.420 58.631 0.789 25538 1885 1 4 . 1 1 101 101 MET CB C 101 31.642 31.642 32.240 -0.598 25538 1886 1 4 . 1 1 101 101 MET H H 101 7.245 7.245 7.891 -0.646 25538 1887 1 4 . 1 1 102 102 LEU N N 102 121.572 121.572 120.349 1.223 25538 1888 1 4 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.830 -0.129 25538 1889 1 4 . 1 1 102 102 LEU C C 102 178.566 178.566 179.319 -0.753 25538 1890 1 4 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.654 1.089 25538 1891 1 4 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.322 0.124 25538 1892 1 4 . 1 1 102 102 LEU H H 102 8.471 8.471 8.215 0.256 25538 1893 1 4 . 1 1 103 103 ARG N N 103 117.180 117.180 114.902 2.278 25538 1894 1 4 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.052 -0.082 25538 1895 1 4 . 1 1 103 103 ARG C C 103 178.818 178.818 177.449 1.369 25538 1896 1 4 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.671 0.832 25538 1897 1 4 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.265 -0.049 25538 1898 1 4 . 1 1 103 103 ARG H H 103 7.933 7.933 8.054 -0.121 25538 1899 1 4 . 1 1 104 104 LYS N N 104 114.206 114.206 115.314 -1.108 25538 1900 1 4 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.363 -0.147 25538 1901 1 4 . 1 1 104 104 LYS C C 104 177.556 177.556 176.314 1.242 25538 1902 1 4 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.082 0.671 25538 1903 1 4 . 1 1 104 104 LYS CB C 104 34.100 34.100 33.002 1.098 25538 1904 1 4 . 1 1 104 104 LYS H H 104 7.171 7.171 7.431 -0.260 25538 1905 1 4 . 1 1 105 105 ASN N N 105 114.097 114.097 117.992 -3.895 25538 1906 1 4 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.743 -0.012 25538 1907 1 4 . 1 1 105 105 ASN C C 105 172.822 172.822 175.921 -3.099 25538 1908 1 4 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.993 -0.150 25538 1909 1 4 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.132 2.209 25538 1910 1 4 . 1 1 105 105 ASN H H 105 7.661 7.661 7.722 -0.061 25538 1911 1 4 . 1 1 106 106 LEU N N 106 118.656 118.656 119.609 -0.953 25538 1912 1 4 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.458 0.213 25538 1913 1 4 . 1 1 106 106 LEU C C 106 175.658 175.658 178.735 -3.077 25538 1914 1 4 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.469 -1.311 25538 1915 1 4 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.719 0.891 25538 1916 1 4 . 1 1 106 106 LEU H H 106 7.440 7.440 8.190 -0.750 25538 1917 1 4 . 1 1 107 107 VAL N N 107 122.765 122.765 118.112 4.653 25538 1918 1 4 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.095 0.119 25538 1919 1 4 . 1 1 107 107 VAL C C 107 176.054 176.054 175.341 0.713 25538 1920 1 4 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.147 -0.004 25538 1921 1 4 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.092 4.464 25538 1922 1 4 . 1 1 107 107 VAL H H 107 8.158 8.158 7.960 0.198 25538 1923 1 4 . 1 1 108 108 THR N N 108 120.921 120.921 114.526 6.395 25538 1924 1 4 . 1 1 108 108 THR HA H 108 4.332 4.332 3.858 0.474 25538 1925 1 4 . 1 1 108 108 THR C C 108 174.216 174.216 173.572 0.644 25538 1926 1 4 . 1 1 108 108 THR CA C 108 62.726 62.726 62.928 -0.202 25538 1927 1 4 . 1 1 108 108 THR CB C 108 69.777 69.777 67.781 1.996 25538 1928 1 4 . 1 1 108 108 THR H H 108 8.524 8.524 7.904 0.620 25538 1929 1 4 . 1 1 109 109 LEU N N 109 125.518 125.518 122.941 2.577 25538 1930 1 4 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.380 -0.025 25538 1931 1 4 . 1 1 109 109 LEU C C 109 176.523 176.523 175.448 1.075 25538 1932 1 4 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.441 0.606 25538 1933 1 4 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.645 -0.055 25538 1934 1 4 . 1 1 109 109 LEU H H 109 8.312 8.312 7.924 0.388 25538 1935 1 4 . 1 1 110 110 ALA N N 110 125.099 125.099 126.020 -0.921 25538 1936 1 4 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.557 -0.191 25538 1937 1 4 . 1 1 110 110 ALA C C 110 176.847 176.847 175.748 1.099 25538 1938 1 4 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.934 0.694 25538 1939 1 4 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.120 -1.414 25538 1940 1 4 . 1 1 110 110 ALA H H 110 8.257 8.257 8.166 0.091 25538 1941 1 5 . 1 1 24 24 ILE N N 24 120.669 120.669 121.640 -0.971 25538 1942 1 5 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.110 0.037 25538 1943 1 5 . 1 1 24 24 ILE C C 24 175.650 175.650 175.850 -0.200 25538 1944 1 5 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.250 0.092 25538 1945 1 5 . 1 1 24 24 ILE CB C 24 38.977 38.977 36.791 2.186 25538 1946 1 5 . 1 1 24 24 ILE H H 24 8.122 8.122 8.211 -0.089 25538 1947 1 5 . 1 1 25 25 ASN N N 25 121.886 121.886 125.795 -3.909 25538 1948 1 5 . 1 1 25 25 ASN HA H 25 4.702 4.702 5.023 -0.321 25538 1949 1 5 . 1 1 25 25 ASN C C 25 174.775 174.775 173.685 1.090 25538 1950 1 5 . 1 1 25 25 ASN CA C 25 53.730 53.730 51.876 1.854 25538 1951 1 5 . 1 1 25 25 ASN CB C 25 39.301 39.301 41.260 -1.959 25538 1952 1 5 . 1 1 25 25 ASN H H 25 8.436 8.436 8.284 0.152 25538 1953 1 5 . 1 1 26 26 GLN N N 26 118.706 118.706 119.528 -0.822 25538 1954 1 5 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.249 0.333 25538 1955 1 5 . 1 1 26 26 GLN C C 26 175.291 175.291 174.548 0.743 25538 1956 1 5 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.382 -0.742 25538 1957 1 5 . 1 1 26 26 GLN CB C 26 32.218 32.218 28.927 3.291 25538 1958 1 5 . 1 1 26 26 GLN H H 26 8.208 8.208 8.471 -0.263 25538 1959 1 5 . 1 1 27 27 VAL N N 27 113.658 113.658 121.874 -8.216 25538 1960 1 5 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.400 0.476 25538 1961 1 5 . 1 1 27 27 VAL C C 27 173.900 173.900 174.013 -0.113 25538 1962 1 5 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.257 -2.141 25538 1963 1 5 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.736 1.278 25538 1964 1 5 . 1 1 27 27 VAL H H 27 9.401 9.401 8.306 1.095 25538 1965 1 5 . 1 1 28 28 ARG N N 28 121.535 121.535 124.186 -2.651 25538 1966 1 5 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.815 0.642 25538 1967 1 5 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.499 -0.928 25538 1968 1 5 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.997 0.655 25538 1969 1 5 . 1 1 28 28 ARG H H 28 8.904 8.904 8.537 0.367 25538 1970 1 5 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.893 0.116 25538 1971 1 5 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.857 0.083 25538 1972 1 5 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.687 -1.433 25538 1973 1 5 . 1 1 30 30 LYS N N 30 121.258 121.258 118.356 2.902 25538 1974 1 5 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.494 -0.293 25538 1975 1 5 . 1 1 30 30 LYS C C 30 177.557 177.557 176.504 1.053 25538 1976 1 5 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.220 2.165 25538 1977 1 5 . 1 1 30 30 LYS CB C 30 33.850 33.850 33.997 -0.147 25538 1978 1 5 . 1 1 30 30 LYS H H 30 8.477 8.477 8.043 0.434 25538 1979 1 5 . 1 1 31 31 LEU N N 31 121.577 121.577 126.478 -4.901 25538 1980 1 5 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.257 -0.195 25538 1981 1 5 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.079 1.117 25538 1982 1 5 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.032 -0.258 25538 1983 1 5 . 1 1 31 31 LEU H H 31 8.599 8.599 8.762 -0.163 25538 1984 1 5 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.244 -0.107 25538 1985 1 5 . 1 1 32 32 PRO CA C 32 66.485 66.485 64.940 1.545 25538 1986 1 5 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.022 0.564 25538 1987 1 5 . 1 1 33 33 LEU N N 33 113.299 113.299 117.362 -4.063 25538 1988 1 5 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.350 -0.375 25538 1989 1 5 . 1 1 33 33 LEU C C 33 177.726 177.726 178.101 -0.375 25538 1990 1 5 . 1 1 33 33 LEU CA C 33 56.140 56.140 54.941 1.199 25538 1991 1 5 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.896 -1.066 25538 1992 1 5 . 1 1 33 33 LEU H H 33 6.610 6.610 7.498 -0.888 25538 1993 1 5 . 1 1 34 34 LEU N N 34 121.730 121.730 122.574 -0.844 25538 1994 1 5 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.813 -0.417 25538 1995 1 5 . 1 1 34 34 LEU C C 34 177.467 177.467 178.382 -0.915 25538 1996 1 5 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.815 -0.554 25538 1997 1 5 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.788 0.047 25538 1998 1 5 . 1 1 34 34 LEU H H 34 8.411 8.411 8.858 -0.447 25538 1999 1 5 . 1 1 35 35 LYS N N 35 114.927 114.927 116.693 -1.766 25538 2000 1 5 . 1 1 35 35 LYS HA H 35 3.804 3.804 4.013 -0.209 25538 2001 1 5 . 1 1 35 35 LYS C C 35 180.207 180.207 179.163 1.044 25538 2002 1 5 . 1 1 35 35 LYS CA C 35 60.140 60.140 57.751 2.389 25538 2003 1 5 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.408 1.161 25538 2004 1 5 . 1 1 35 35 LYS H H 35 7.964 7.964 8.072 -0.108 25538 2005 1 5 . 1 1 36 36 ILE N N 36 119.935 119.935 120.370 -0.435 25538 2006 1 5 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.477 -0.174 25538 2007 1 5 . 1 1 36 36 ILE C C 36 176.418 176.418 177.800 -1.382 25538 2008 1 5 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.964 1.520 25538 2009 1 5 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.420 1.209 25538 2010 1 5 . 1 1 36 36 ILE H H 36 6.739 6.739 7.397 -0.658 25538 2011 1 5 . 1 1 37 37 LEU N N 37 116.682 116.682 120.936 -4.254 25538 2012 1 5 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.422 0.106 25538 2013 1 5 . 1 1 37 37 LEU C C 37 180.263 180.263 178.983 1.280 25538 2014 1 5 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.280 -0.055 25538 2015 1 5 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.706 -1.564 25538 2016 1 5 . 1 1 37 37 LEU H H 37 7.633 7.633 7.839 -0.206 25538 2017 1 5 . 1 1 38 38 HIS N N 38 117.463 117.463 117.880 -0.417 25538 2018 1 5 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.102 0.580 25538 2019 1 5 . 1 1 38 38 HIS C C 38 179.936 179.936 177.829 2.107 25538 2020 1 5 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.087 -1.796 25538 2021 1 5 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.890 0.842 25538 2022 1 5 . 1 1 38 38 HIS H H 38 8.932 8.932 8.606 0.326 25538 2023 1 5 . 1 1 39 39 ALA N N 39 124.102 124.102 121.554 2.548 25538 2024 1 5 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.096 0.155 25538 2025 1 5 . 1 1 39 39 ALA C C 39 178.764 178.764 178.814 -0.050 25538 2026 1 5 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.509 0.614 25538 2027 1 5 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.498 -0.387 25538 2028 1 5 . 1 1 39 39 ALA H H 39 7.951 7.951 8.184 -0.233 25538 2029 1 5 . 1 1 40 40 ALA N N 40 118.164 118.164 118.053 0.111 25538 2030 1 5 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.309 0.112 25538 2031 1 5 . 1 1 40 40 ALA C C 40 176.261 176.261 177.494 -1.233 25538 2032 1 5 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.947 -0.811 25538 2033 1 5 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.178 1.934 25538 2034 1 5 . 1 1 40 40 ALA H H 40 7.647 7.647 8.077 -0.430 25538 2035 1 5 . 1 1 41 41 GLY N N 41 103.894 103.894 104.373 -0.479 25538 2036 1 5 . 1 1 41 41 GLY C C 41 174.412 174.412 174.240 0.172 25538 2037 1 5 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.560 0.294 25538 2038 1 5 . 1 1 41 41 GLY H H 41 7.677 7.677 7.765 -0.088 25538 2039 1 5 . 1 1 42 42 ALA N N 42 123.549 123.549 122.088 1.461 25538 2040 1 5 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.306 -0.676 25538 2041 1 5 . 1 1 42 42 ALA C C 42 175.956 175.956 175.362 0.594 25538 2042 1 5 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.603 1.077 25538 2043 1 5 . 1 1 42 42 ALA CB C 42 19.233 19.233 19.872 -0.639 25538 2044 1 5 . 1 1 42 42 ALA H H 42 7.559 7.559 7.596 -0.037 25538 2045 1 5 . 1 1 43 43 GLN N N 43 117.516 117.516 118.449 -0.933 25538 2046 1 5 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.978 0.400 25538 2047 1 5 . 1 1 43 43 GLN C C 43 175.528 175.528 175.552 -0.024 25538 2048 1 5 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.230 -0.611 25538 2049 1 5 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.850 1.346 25538 2050 1 5 . 1 1 43 43 GLN H H 43 8.531 8.531 8.455 0.076 25538 2051 1 5 . 1 1 44 44 GLY N N 44 108.084 108.084 111.621 -3.537 25538 2052 1 5 . 1 1 44 44 GLY C C 44 174.073 174.073 174.021 0.052 25538 2053 1 5 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.172 -0.549 25538 2054 1 5 . 1 1 44 44 GLY H H 44 8.535 8.535 8.477 0.058 25538 2055 1 5 . 1 1 45 45 GLU N N 45 114.485 114.485 118.249 -3.764 25538 2056 1 5 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.157 0.453 25538 2057 1 5 . 1 1 45 45 GLU C C 45 174.007 174.007 174.778 -0.771 25538 2058 1 5 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.947 0.903 25538 2059 1 5 . 1 1 45 45 GLU CB C 45 33.035 33.035 30.094 2.941 25538 2060 1 5 . 1 1 45 45 GLU H H 45 8.293 8.293 8.534 -0.241 25538 2061 1 5 . 1 1 46 46 MET N N 46 115.370 115.370 120.251 -4.881 25538 2062 1 5 . 1 1 46 46 MET HA H 46 5.047 5.047 4.274 0.773 25538 2063 1 5 . 1 1 46 46 MET C C 46 174.637 174.637 174.154 0.483 25538 2064 1 5 . 1 1 46 46 MET CA C 46 54.239 54.239 54.709 -0.470 25538 2065 1 5 . 1 1 46 46 MET CB C 46 35.727 35.727 33.875 1.852 25538 2066 1 5 . 1 1 46 46 MET H H 46 6.871 6.871 7.138 -0.267 25538 2067 1 5 . 1 1 47 47 PHE N N 47 118.922 118.922 121.880 -2.958 25538 2068 1 5 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.931 0.173 25538 2069 1 5 . 1 1 47 47 PHE C C 47 175.742 175.742 174.421 1.321 25538 2070 1 5 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.525 1.840 25538 2071 1 5 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.483 6.399 25538 2072 1 5 . 1 1 47 47 PHE H H 47 8.611 8.611 7.983 0.628 25538 2073 1 5 . 1 1 48 48 THR N N 48 110.603 110.603 112.126 -1.523 25538 2074 1 5 . 1 1 48 48 THR HA H 48 4.982 4.982 4.425 0.557 25538 2075 1 5 . 1 1 48 48 THR C C 48 176.666 176.666 176.014 0.652 25538 2076 1 5 . 1 1 48 48 THR CA C 48 61.021 61.021 60.135 0.886 25538 2077 1 5 . 1 1 48 48 THR CB C 48 71.136 71.136 70.569 0.567 25538 2078 1 5 . 1 1 48 48 THR H H 48 9.113 9.113 8.051 1.062 25538 2079 1 5 . 1 1 49 49 VAL N N 49 121.595 121.595 121.874 -0.279 25538 2080 1 5 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.700 -0.307 25538 2081 1 5 . 1 1 49 49 VAL C C 49 177.726 177.726 177.411 0.315 25538 2082 1 5 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.700 1.509 25538 2083 1 5 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.040 -0.679 25538 2084 1 5 . 1 1 49 49 VAL H H 49 9.074 9.074 8.976 0.098 25538 2085 1 5 . 1 1 50 50 LYS N N 50 118.504 118.504 117.953 0.551 25538 2086 1 5 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.969 -0.010 25538 2087 1 5 . 1 1 50 50 LYS C C 50 180.060 180.060 178.864 1.196 25538 2088 1 5 . 1 1 50 50 LYS CA C 50 59.920 59.920 60.013 -0.093 25538 2089 1 5 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.742 1.065 25538 2090 1 5 . 1 1 50 50 LYS H H 50 8.131 8.131 8.473 -0.342 25538 2091 1 5 . 1 1 51 51 GLU N N 51 119.547 119.547 119.325 0.222 25538 2092 1 5 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.155 -0.117 25538 2093 1 5 . 1 1 51 51 GLU C C 51 178.583 178.583 178.881 -0.298 25538 2094 1 5 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.543 1.313 25538 2095 1 5 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.701 1.701 25538 2096 1 5 . 1 1 51 51 GLU H H 51 7.882 7.882 7.803 0.079 25538 2097 1 5 . 1 1 52 52 VAL N N 52 119.078 119.078 121.648 -2.570 25538 2098 1 5 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.627 -0.373 25538 2099 1 5 . 1 1 52 52 VAL C C 52 177.546 177.546 178.485 -0.939 25538 2100 1 5 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.985 0.876 25538 2101 1 5 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.780 -0.549 25538 2102 1 5 . 1 1 52 52 VAL H H 52 8.258 8.258 8.787 -0.529 25538 2103 1 5 . 1 1 53 53 MET N N 53 114.606 114.606 116.465 -1.859 25538 2104 1 5 . 1 1 53 53 MET HA H 53 4.231 4.231 4.163 0.068 25538 2105 1 5 . 1 1 53 53 MET C C 53 178.640 178.640 178.521 0.119 25538 2106 1 5 . 1 1 53 53 MET CA C 53 57.902 57.902 56.966 0.936 25538 2107 1 5 . 1 1 53 53 MET CB C 53 32.640 32.640 30.836 1.804 25538 2108 1 5 . 1 1 53 53 MET H H 53 8.201 8.201 8.408 -0.207 25538 2109 1 5 . 1 1 54 54 HIS N N 54 118.707 118.707 121.189 -2.482 25538 2110 1 5 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.095 0.051 25538 2111 1 5 . 1 1 54 54 HIS C C 54 178.531 178.531 177.391 1.140 25538 2112 1 5 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.844 -0.832 25538 2113 1 5 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.666 0.494 25538 2114 1 5 . 1 1 54 54 HIS H H 54 8.122 8.122 7.686 0.436 25538 2115 1 5 . 1 1 55 55 TYR N N 55 116.875 116.875 118.179 -1.304 25538 2116 1 5 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.105 -0.237 25538 2117 1 5 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.384 2.353 25538 2118 1 5 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.653 1.381 25538 2119 1 5 . 1 1 55 55 TYR H H 55 8.480 8.480 8.519 -0.039 25538 2120 1 5 . 1 1 56 56 LEU N N 56 120.976 120.976 120.200 0.776 25538 2121 1 5 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.885 -0.054 25538 2122 1 5 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.945 0.418 25538 2123 1 5 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.455 0.937 25538 2124 1 5 . 1 1 56 56 LEU H H 56 8.452 8.452 8.546 -0.094 25538 2125 1 5 . 1 1 57 57 GLY N N 57 105.050 105.050 106.732 -1.682 25538 2126 1 5 . 1 1 57 57 GLY CA C 57 47.146 47.146 46.979 0.167 25538 2127 1 5 . 1 1 57 57 GLY H H 57 7.710 7.710 8.437 -0.727 25538 2128 1 5 . 1 1 58 58 GLN N N 58 119.017 119.017 122.078 -3.061 25538 2129 1 5 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.806 0.021 25538 2130 1 5 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.232 -0.554 25538 2131 1 5 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.523 0.352 25538 2132 1 5 . 1 1 58 58 GLN H H 58 7.649 7.649 8.168 -0.519 25538 2133 1 5 . 1 1 59 59 TYR N N 59 120.995 120.995 121.168 -0.173 25538 2134 1 5 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.163 -0.359 25538 2135 1 5 . 1 1 59 59 TYR C C 59 176.215 176.215 177.842 -1.627 25538 2136 1 5 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.079 0.486 25538 2137 1 5 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.511 0.091 25538 2138 1 5 . 1 1 59 59 TYR H H 59 8.500 8.500 8.479 0.021 25538 2139 1 5 . 1 1 60 60 ILE N N 60 116.781 116.781 119.933 -3.152 25538 2140 1 5 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.594 -0.319 25538 2141 1 5 . 1 1 60 60 ILE C C 60 177.952 177.952 178.181 -0.229 25538 2142 1 5 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.924 -0.254 25538 2143 1 5 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.920 0.638 25538 2144 1 5 . 1 1 60 60 ILE H H 60 7.612 7.612 8.473 -0.861 25538 2145 1 5 . 1 1 61 61 MET N N 61 115.626 115.626 118.078 -2.452 25538 2146 1 5 . 1 1 61 61 MET HA H 61 4.529 4.529 4.115 0.414 25538 2147 1 5 . 1 1 61 61 MET C C 61 180.579 180.579 178.996 1.583 25538 2148 1 5 . 1 1 61 61 MET CA C 61 57.662 57.662 57.587 0.076 25538 2149 1 5 . 1 1 61 61 MET CB C 61 31.449 31.449 31.419 0.030 25538 2150 1 5 . 1 1 61 61 MET H H 61 7.717 7.717 8.039 -0.322 25538 2151 1 5 . 1 1 62 62 VAL N N 62 120.907 120.907 119.297 1.610 25538 2152 1 5 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.788 0.041 25538 2153 1 5 . 1 1 62 62 VAL C C 62 178.786 178.786 177.898 0.888 25538 2154 1 5 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.492 0.509 25538 2155 1 5 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.798 0.185 25538 2156 1 5 . 1 1 62 62 VAL H H 62 9.021 9.021 8.428 0.593 25538 2157 1 5 . 1 1 63 63 LYS N N 63 116.704 116.704 118.879 -2.175 25538 2158 1 5 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.214 -0.157 25538 2159 1 5 . 1 1 63 63 LYS C C 63 174.784 174.784 175.648 -0.864 25538 2160 1 5 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.807 0.276 25538 2161 1 5 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.597 -1.265 25538 2162 1 5 . 1 1 63 63 LYS H H 63 7.824 7.824 7.981 -0.157 25538 2163 1 5 . 1 1 64 64 GLN N N 64 115.371 115.371 114.108 1.263 25538 2164 1 5 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.200 -0.579 25538 2165 1 5 . 1 1 64 64 GLN C C 64 175.550 175.550 175.498 0.052 25538 2166 1 5 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.412 0.567 25538 2167 1 5 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.857 0.391 25538 2168 1 5 . 1 1 64 64 GLN H H 64 7.653 7.653 8.086 -0.433 25538 2169 1 5 . 1 1 65 65 LEU N N 65 115.332 115.332 120.741 -5.409 25538 2170 1 5 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.675 -0.240 25538 2171 1 5 . 1 1 65 65 LEU C C 65 175.979 175.979 175.593 0.386 25538 2172 1 5 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.072 0.529 25538 2173 1 5 . 1 1 65 65 LEU CB C 65 41.936 41.936 41.051 0.885 25538 2174 1 5 . 1 1 65 65 LEU H H 65 8.059 8.059 8.219 -0.160 25538 2175 1 5 . 1 1 66 66 TYR N N 66 113.240 113.240 115.005 -1.765 25538 2176 1 5 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.131 0.129 25538 2177 1 5 . 1 1 66 66 TYR C C 66 174.107 174.107 173.816 0.291 25538 2178 1 5 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.019 -0.345 25538 2179 1 5 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.972 -1.213 25538 2180 1 5 . 1 1 66 66 TYR H H 66 6.845 6.845 7.229 -0.384 25538 2181 1 5 . 1 1 67 67 ASP N N 67 122.255 122.255 121.449 0.806 25538 2182 1 5 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.824 -0.389 25538 2183 1 5 . 1 1 67 67 ASP C C 67 176.779 176.779 176.915 -0.136 25538 2184 1 5 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.949 0.837 25538 2185 1 5 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.659 -0.300 25538 2186 1 5 . 1 1 67 67 ASP H H 67 8.341 8.341 8.263 0.078 25538 2187 1 5 . 1 1 68 68 GLN N N 68 123.090 123.090 124.276 -1.186 25538 2188 1 5 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.152 -0.271 25538 2189 1 5 . 1 1 68 68 GLN C C 68 177.122 177.122 176.136 0.986 25538 2190 1 5 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.756 1.133 25538 2191 1 5 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.077 0.988 25538 2192 1 5 . 1 1 68 68 GLN H H 68 8.552 8.552 8.723 -0.171 25538 2193 1 5 . 1 1 69 69 GLN N N 69 115.295 115.295 119.199 -3.904 25538 2194 1 5 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.435 -0.096 25538 2195 1 5 . 1 1 69 69 GLN C C 69 176.272 176.272 176.703 -0.431 25538 2196 1 5 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.457 0.478 25538 2197 1 5 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.539 -0.623 25538 2198 1 5 . 1 1 69 69 GLN H H 69 8.347 8.347 8.634 -0.287 25538 2199 1 5 . 1 1 70 70 GLU N N 70 122.341 122.341 122.566 -0.225 25538 2200 1 5 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.279 0.212 25538 2201 1 5 . 1 1 70 70 GLU C C 70 175.832 175.832 176.398 -0.566 25538 2202 1 5 . 1 1 70 70 GLU CA C 70 55.086 55.086 54.879 0.207 25538 2203 1 5 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.050 1.488 25538 2204 1 5 . 1 1 70 70 GLU H H 70 8.237 8.237 8.664 -0.427 25538 2205 1 5 . 1 1 71 71 GLN N N 71 119.185 119.185 118.475 0.710 25538 2206 1 5 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.359 0.142 25538 2207 1 5 . 1 1 71 71 GLN C C 71 173.848 173.848 176.260 -2.412 25538 2208 1 5 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.024 1.776 25538 2209 1 5 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.879 -0.697 25538 2210 1 5 . 1 1 71 71 GLN H H 71 8.206 8.206 7.443 0.763 25538 2211 1 5 . 1 1 72 72 HIS N N 72 109.549 109.549 111.545 -1.996 25538 2212 1 5 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.546 -0.366 25538 2213 1 5 . 1 1 72 72 HIS C C 72 175.790 175.790 174.604 1.186 25538 2214 1 5 . 1 1 72 72 HIS CA C 72 56.281 56.281 54.164 2.117 25538 2215 1 5 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.170 1.905 25538 2216 1 5 . 1 1 72 72 HIS H H 72 7.383 7.383 7.601 -0.218 25538 2217 1 5 . 1 1 73 73 MET N N 73 119.174 119.174 121.171 -1.997 25538 2218 1 5 . 1 1 73 73 MET HA H 73 4.570 4.570 4.788 -0.218 25538 2219 1 5 . 1 1 73 73 MET C C 73 174.242 174.242 174.212 0.030 25538 2220 1 5 . 1 1 73 73 MET CA C 73 53.027 53.027 53.971 -0.944 25538 2221 1 5 . 1 1 73 73 MET CB C 73 31.709 31.709 34.201 -2.492 25538 2222 1 5 . 1 1 73 73 MET H H 73 7.655 7.655 7.761 -0.106 25538 2223 1 5 . 1 1 74 74 VAL N N 74 122.522 122.522 126.534 -4.012 25538 2224 1 5 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.201 -0.278 25538 2225 1 5 . 1 1 74 74 VAL C C 74 174.851 174.851 174.556 0.295 25538 2226 1 5 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.395 -0.001 25538 2227 1 5 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.213 0.574 25538 2228 1 5 . 1 1 74 74 VAL H H 74 8.443 8.443 8.689 -0.246 25538 2229 1 5 . 1 1 75 75 TYR N N 75 125.773 125.773 124.932 0.841 25538 2230 1 5 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.097 -0.345 25538 2231 1 5 . 1 1 75 75 TYR C C 75 174.923 174.923 176.648 -1.725 25538 2232 1 5 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.723 1.089 25538 2233 1 5 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.564 0.069 25538 2234 1 5 . 1 1 75 75 TYR H H 75 8.256 8.256 8.965 -0.709 25538 2235 1 5 . 1 1 76 76 CYS N N 76 116.702 116.702 122.717 -6.015 25538 2236 1 5 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.765 -0.018 25538 2237 1 5 . 1 1 76 76 CYS C C 76 174.231 174.231 176.634 -2.403 25538 2238 1 5 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.147 -3.044 25538 2239 1 5 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.703 3.886 25538 2240 1 5 . 1 1 76 76 CYS H H 76 8.266 8.266 8.734 -0.468 25538 2241 1 5 . 1 1 77 77 GLY N N 77 111.675 111.675 110.420 1.255 25538 2242 1 5 . 1 1 77 77 GLY C C 77 174.662 174.662 174.722 -0.060 25538 2243 1 5 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.029 0.120 25538 2244 1 5 . 1 1 77 77 GLY H H 77 8.483 8.483 7.719 0.764 25538 2245 1 5 . 1 1 78 78 GLY N N 78 113.022 113.022 107.685 5.337 25538 2246 1 5 . 1 1 78 78 GLY C C 78 172.811 172.811 173.590 -0.779 25538 2247 1 5 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.170 1.582 25538 2248 1 5 . 1 1 78 78 GLY H H 78 8.892 8.892 8.029 0.863 25538 2249 1 5 . 1 1 79 79 ASP N N 79 119.457 119.457 121.564 -2.107 25538 2250 1 5 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.972 -0.080 25538 2251 1 5 . 1 1 79 79 ASP C C 79 176.302 176.302 176.806 -0.504 25538 2252 1 5 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.590 -0.543 25538 2253 1 5 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.885 3.386 25538 2254 1 5 . 1 1 79 79 ASP H H 79 7.795 7.795 7.956 -0.161 25538 2255 1 5 . 1 1 80 80 LEU N N 80 128.421 128.421 124.125 4.296 25538 2256 1 5 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.100 -0.036 25538 2257 1 5 . 1 1 80 80 LEU C C 80 179.059 179.059 178.813 0.246 25538 2258 1 5 . 1 1 80 80 LEU CA C 80 58.523 58.523 58.672 -0.149 25538 2259 1 5 . 1 1 80 80 LEU CB C 80 42.647 42.647 41.980 0.667 25538 2260 1 5 . 1 1 80 80 LEU H H 80 8.549 8.549 8.893 -0.344 25538 2261 1 5 . 1 1 81 81 LEU N N 81 118.678 118.678 119.263 -0.585 25538 2262 1 5 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.044 -0.177 25538 2263 1 5 . 1 1 81 81 LEU C C 81 178.542 178.542 178.780 -0.238 25538 2264 1 5 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.051 0.475 25538 2265 1 5 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.369 1.280 25538 2266 1 5 . 1 1 81 81 LEU H H 81 9.974 9.974 8.254 1.720 25538 2267 1 5 . 1 1 82 82 GLY N N 82 105.642 105.642 106.365 -0.723 25538 2268 1 5 . 1 1 82 82 GLY C C 82 176.907 176.907 176.365 0.542 25538 2269 1 5 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.099 0.894 25538 2270 1 5 . 1 1 82 82 GLY H H 82 7.543 7.543 7.946 -0.403 25538 2271 1 5 . 1 1 83 83 GLU N N 83 121.762 121.762 122.517 -0.755 25538 2272 1 5 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.087 -0.105 25538 2273 1 5 . 1 1 83 83 GLU C C 83 179.215 179.215 179.333 -0.118 25538 2274 1 5 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.446 -0.285 25538 2275 1 5 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.437 0.034 25538 2276 1 5 . 1 1 83 83 GLU H H 83 7.537 7.537 8.199 -0.662 25538 2277 1 5 . 1 1 84 84 LEU N N 84 118.478 118.478 118.212 0.266 25538 2278 1 5 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.120 -0.096 25538 2279 1 5 . 1 1 84 84 LEU C C 84 178.842 178.842 178.824 0.018 25538 2280 1 5 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.848 0.627 25538 2281 1 5 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.685 0.707 25538 2282 1 5 . 1 1 84 84 LEU H H 84 7.717 7.717 8.200 -0.483 25538 2283 1 5 . 1 1 85 85 LEU N N 85 115.268 115.268 113.355 1.913 25538 2284 1 5 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.178 -0.401 25538 2285 1 5 . 1 1 85 85 LEU C C 85 177.773 177.773 177.994 -0.221 25538 2286 1 5 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.134 0.241 25538 2287 1 5 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.652 1.241 25538 2288 1 5 . 1 1 85 85 LEU H H 85 8.091 8.091 7.918 0.173 25538 2289 1 5 . 1 1 86 86 GLY N N 86 107.339 107.339 106.820 0.519 25538 2290 1 5 . 1 1 86 86 GLY C C 86 174.143 174.143 174.274 -0.131 25538 2291 1 5 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.931 1.384 25538 2292 1 5 . 1 1 86 86 GLY H H 86 7.993 7.993 8.178 -0.185 25538 2293 1 5 . 1 1 87 87 ARG N N 87 113.292 113.292 120.085 -6.793 25538 2294 1 5 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.620 0.034 25538 2295 1 5 . 1 1 87 87 ARG C C 87 174.720 174.720 175.424 -0.704 25538 2296 1 5 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.030 -0.870 25538 2297 1 5 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.363 2.093 25538 2298 1 5 . 1 1 87 87 ARG H H 87 7.407 7.407 7.524 -0.117 25538 2299 1 5 . 1 1 88 88 GLN N N 88 116.042 116.042 121.945 -5.903 25538 2300 1 5 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.344 -0.298 25538 2301 1 5 . 1 1 88 88 GLN C C 88 175.946 175.946 174.851 1.095 25538 2302 1 5 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.327 -0.152 25538 2303 1 5 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.373 0.417 25538 2304 1 5 . 1 1 88 88 GLN H H 88 8.660 8.660 8.718 -0.058 25538 2305 1 5 . 1 1 89 89 SER N N 89 110.533 110.533 110.096 0.437 25538 2306 1 5 . 1 1 89 89 SER HA H 89 5.431 5.431 4.963 0.468 25538 2307 1 5 . 1 1 89 89 SER C C 89 173.062 173.062 173.273 -0.211 25538 2308 1 5 . 1 1 89 89 SER CA C 89 57.019 57.019 55.884 1.135 25538 2309 1 5 . 1 1 89 89 SER CB C 89 66.577 66.577 65.982 0.595 25538 2310 1 5 . 1 1 89 89 SER H H 89 7.620 7.620 7.430 0.190 25538 2311 1 5 . 1 1 90 90 PHE N N 90 115.219 115.219 117.127 -1.908 25538 2312 1 5 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.919 -0.224 25538 2313 1 5 . 1 1 90 90 PHE C C 90 175.233 175.233 172.716 2.517 25538 2314 1 5 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.950 0.145 25538 2315 1 5 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.494 -0.148 25538 2316 1 5 . 1 1 90 90 PHE H H 90 8.557 8.557 7.897 0.660 25538 2317 1 5 . 1 1 91 91 SER N N 91 113.681 113.681 114.401 -0.720 25538 2318 1 5 . 1 1 91 91 SER HA H 91 5.391 5.391 5.264 0.127 25538 2319 1 5 . 1 1 91 91 SER CA C 91 54.564 54.564 54.532 0.032 25538 2320 1 5 . 1 1 91 91 SER CB C 91 65.366 65.366 65.903 -0.537 25538 2321 1 5 . 1 1 91 91 SER H H 91 9.006 9.006 8.127 0.879 25538 2322 1 5 . 1 1 92 92 VAL N N 92 121.388 121.388 120.540 0.848 25538 2323 1 5 . 1 1 92 92 VAL HA H 92 3.943 3.943 4.058 -0.115 25538 2324 1 5 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.883 -0.688 25538 2325 1 5 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.299 -0.067 25538 2326 1 5 . 1 1 92 92 VAL H H 92 8.983 8.983 8.632 0.351 25538 2327 1 5 . 1 1 93 93 LYS N N 93 116.161 116.161 118.376 -2.215 25538 2328 1 5 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.480 -0.497 25538 2329 1 5 . 1 1 93 93 LYS C C 93 177.088 177.088 176.309 0.779 25538 2330 1 5 . 1 1 93 93 LYS CA C 93 57.181 57.181 55.997 1.184 25538 2331 1 5 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.549 -0.425 25538 2332 1 5 . 1 1 93 93 LYS H H 93 8.078 8.078 7.728 0.350 25538 2333 1 5 . 1 1 94 94 ASP N N 94 115.406 115.406 119.054 -3.648 25538 2334 1 5 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.082 -0.133 25538 2335 1 5 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.994 -0.437 25538 2336 1 5 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.695 -0.250 25538 2337 1 5 . 1 1 94 94 ASP H H 94 7.385 7.385 7.876 -0.491 25538 2338 1 5 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.623 -0.186 25538 2339 1 5 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.516 0.373 25538 2340 1 5 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.257 0.503 25538 2341 1 5 . 1 1 96 96 SER N N 96 118.819 118.819 117.015 1.804 25538 2342 1 5 . 1 1 96 96 SER HA H 96 4.220 4.220 4.363 -0.143 25538 2343 1 5 . 1 1 96 96 SER CA C 96 64.406 64.406 64.217 0.189 25538 2344 1 5 . 1 1 96 96 SER CB C 96 61.862 61.862 60.856 1.006 25538 2345 1 5 . 1 1 96 96 SER H H 96 8.104 8.104 8.724 -0.620 25538 2346 1 5 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.380 -0.031 25538 2347 1 5 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.130 0.781 25538 2348 1 5 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.341 0.154 25538 2349 1 5 . 1 1 98 98 LEU N N 98 118.063 118.063 121.086 -3.023 25538 2350 1 5 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.727 -0.124 25538 2351 1 5 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.932 -0.831 25538 2352 1 5 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.453 -0.057 25538 2353 1 5 . 1 1 98 98 LEU H H 98 7.087 7.087 7.327 -0.240 25538 2354 1 5 . 1 1 99 99 TYR N N 99 118.063 118.063 118.133 -0.070 25538 2355 1 5 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.009 0.135 25538 2356 1 5 . 1 1 99 99 TYR C C 99 178.914 178.914 178.020 0.894 25538 2357 1 5 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.347 -1.079 25538 2358 1 5 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.800 -0.832 25538 2359 1 5 . 1 1 99 99 TYR H H 99 7.594 7.594 8.252 -0.658 25538 2360 1 5 . 1 1 100 100 ASP N N 100 119.682 119.682 119.819 -0.137 25538 2361 1 5 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.301 0.025 25538 2362 1 5 . 1 1 100 100 ASP C C 100 177.737 177.737 178.302 -0.565 25538 2363 1 5 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.413 0.461 25538 2364 1 5 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.935 0.153 25538 2365 1 5 . 1 1 100 100 ASP H H 100 8.315 8.315 8.017 0.298 25538 2366 1 5 . 1 1 101 101 MET N N 101 118.784 118.784 118.068 0.716 25538 2367 1 5 . 1 1 101 101 MET HA H 101 3.969 3.969 4.094 -0.125 25538 2368 1 5 . 1 1 101 101 MET C C 101 180.080 180.080 177.941 2.139 25538 2369 1 5 . 1 1 101 101 MET CA C 101 59.420 59.420 58.781 0.639 25538 2370 1 5 . 1 1 101 101 MET CB C 101 31.642 31.642 32.391 -0.749 25538 2371 1 5 . 1 1 101 101 MET H H 101 7.245 7.245 7.826 -0.581 25538 2372 1 5 . 1 1 102 102 LEU N N 102 121.572 121.572 120.623 0.949 25538 2373 1 5 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.887 -0.186 25538 2374 1 5 . 1 1 102 102 LEU C C 102 178.566 178.566 179.317 -0.751 25538 2375 1 5 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.682 1.061 25538 2376 1 5 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.479 -0.033 25538 2377 1 5 . 1 1 102 102 LEU H H 102 8.471 8.471 8.254 0.217 25538 2378 1 5 . 1 1 103 103 ARG N N 103 117.180 117.180 116.480 0.700 25538 2379 1 5 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.126 -0.156 25538 2380 1 5 . 1 1 103 103 ARG C C 103 178.818 178.818 177.561 1.257 25538 2381 1 5 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.523 0.980 25538 2382 1 5 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.260 -0.044 25538 2383 1 5 . 1 1 103 103 ARG H H 103 7.933 7.933 7.945 -0.012 25538 2384 1 5 . 1 1 104 104 LYS N N 104 114.206 114.206 115.910 -1.704 25538 2385 1 5 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.280 -0.064 25538 2386 1 5 . 1 1 104 104 LYS C C 104 177.556 177.556 176.810 0.746 25538 2387 1 5 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.282 0.470 25538 2388 1 5 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.414 1.686 25538 2389 1 5 . 1 1 104 104 LYS H H 104 7.171 7.171 7.343 -0.172 25538 2390 1 5 . 1 1 105 105 ASN N N 105 114.097 114.097 117.253 -3.156 25538 2391 1 5 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.802 -0.071 25538 2392 1 5 . 1 1 105 105 ASN C C 105 172.822 172.822 175.648 -2.826 25538 2393 1 5 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.380 0.463 25538 2394 1 5 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.005 1.335 25538 2395 1 5 . 1 1 105 105 ASN H H 105 7.661 7.661 7.785 -0.124 25538 2396 1 5 . 1 1 106 106 LEU N N 106 118.656 118.656 120.283 -1.627 25538 2397 1 5 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.497 0.174 25538 2398 1 5 . 1 1 106 106 LEU C C 106 175.658 175.658 177.355 -1.697 25538 2399 1 5 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.162 -1.004 25538 2400 1 5 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.842 0.768 25538 2401 1 5 . 1 1 106 106 LEU H H 106 7.440 7.440 8.348 -0.908 25538 2402 1 5 . 1 1 107 107 VAL N N 107 122.765 122.765 117.338 5.427 25538 2403 1 5 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.083 0.131 25538 2404 1 5 . 1 1 107 107 VAL C C 107 176.054 176.054 175.646 0.408 25538 2405 1 5 . 1 1 107 107 VAL CA C 107 62.143 62.143 61.931 0.212 25538 2406 1 5 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.235 1.321 25538 2407 1 5 . 1 1 107 107 VAL H H 107 8.158 8.158 8.364 -0.206 25538 2408 1 5 . 1 1 108 108 THR N N 108 120.921 120.921 117.514 3.407 25538 2409 1 5 . 1 1 108 108 THR HA H 108 4.332 4.332 4.278 0.054 25538 2410 1 5 . 1 1 108 108 THR C C 108 174.216 174.216 174.741 -0.525 25538 2411 1 5 . 1 1 108 108 THR CA C 108 62.726 62.726 63.689 -0.963 25538 2412 1 5 . 1 1 108 108 THR CB C 108 69.777 69.777 68.932 0.845 25538 2413 1 5 . 1 1 108 108 THR H H 108 8.524 8.524 8.259 0.265 25538 2414 1 5 . 1 1 109 109 LEU N N 109 125.518 125.518 124.883 0.635 25538 2415 1 5 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.685 -0.330 25538 2416 1 5 . 1 1 109 109 LEU C C 109 176.523 176.523 175.639 0.884 25538 2417 1 5 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.206 0.841 25538 2418 1 5 . 1 1 109 109 LEU CB C 109 42.590 42.590 43.560 -0.970 25538 2419 1 5 . 1 1 109 109 LEU H H 109 8.312 8.312 8.223 0.089 25538 2420 1 5 . 1 1 110 110 ALA N N 110 125.099 125.099 124.126 0.973 25538 2421 1 5 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.730 -0.364 25538 2422 1 5 . 1 1 110 110 ALA C C 110 176.847 176.847 175.880 0.967 25538 2423 1 5 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.165 0.463 25538 2424 1 5 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.666 -0.960 25538 2425 1 5 . 1 1 110 110 ALA H H 110 8.257 8.257 8.227 0.030 25538 2426 1 6 . 1 1 24 24 ILE N N 24 120.669 120.669 121.184 -0.515 25538 2427 1 6 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.289 -0.142 25538 2428 1 6 . 1 1 24 24 ILE C C 24 175.650 175.650 174.925 0.725 25538 2429 1 6 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.144 0.198 25538 2430 1 6 . 1 1 24 24 ILE CB C 24 38.977 38.977 38.879 0.098 25538 2431 1 6 . 1 1 24 24 ILE H H 24 8.122 8.122 7.837 0.285 25538 2432 1 6 . 1 1 25 25 ASN N N 25 121.886 121.886 124.733 -2.847 25538 2433 1 6 . 1 1 25 25 ASN HA H 25 4.702 4.702 5.061 -0.359 25538 2434 1 6 . 1 1 25 25 ASN C C 25 174.775 174.775 173.616 1.159 25538 2435 1 6 . 1 1 25 25 ASN CA C 25 53.730 53.730 51.898 1.832 25538 2436 1 6 . 1 1 25 25 ASN CB C 25 39.301 39.301 41.456 -2.155 25538 2437 1 6 . 1 1 25 25 ASN H H 25 8.436 8.436 8.614 -0.178 25538 2438 1 6 . 1 1 26 26 GLN N N 26 118.706 118.706 119.632 -0.926 25538 2439 1 6 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.330 0.252 25538 2440 1 6 . 1 1 26 26 GLN C C 26 175.291 175.291 174.562 0.729 25538 2441 1 6 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.065 -0.425 25538 2442 1 6 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.151 3.067 25538 2443 1 6 . 1 1 26 26 GLN H H 26 8.208 8.208 8.520 -0.312 25538 2444 1 6 . 1 1 27 27 VAL N N 27 113.658 113.658 122.544 -8.886 25538 2445 1 6 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.396 0.480 25538 2446 1 6 . 1 1 27 27 VAL C C 27 173.900 173.900 174.132 -0.232 25538 2447 1 6 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.209 -2.093 25538 2448 1 6 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.658 1.356 25538 2449 1 6 . 1 1 27 27 VAL H H 27 9.401 9.401 8.378 1.023 25538 2450 1 6 . 1 1 28 28 ARG N N 28 121.535 121.535 122.823 -1.288 25538 2451 1 6 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.860 0.597 25538 2452 1 6 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.227 -0.656 25538 2453 1 6 . 1 1 28 28 ARG CB C 28 33.652 33.652 31.961 1.691 25538 2454 1 6 . 1 1 28 28 ARG H H 28 8.904 8.904 8.463 0.441 25538 2455 1 6 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.692 0.317 25538 2456 1 6 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.892 0.048 25538 2457 1 6 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.335 -1.081 25538 2458 1 6 . 1 1 30 30 LYS N N 30 121.258 121.258 119.117 2.141 25538 2459 1 6 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.438 -0.237 25538 2460 1 6 . 1 1 30 30 LYS C C 30 177.557 177.557 177.527 0.030 25538 2461 1 6 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.031 2.354 25538 2462 1 6 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.463 -0.613 25538 2463 1 6 . 1 1 30 30 LYS H H 30 8.477 8.477 8.205 0.272 25538 2464 1 6 . 1 1 31 31 LEU N N 31 121.577 121.577 126.367 -4.790 25538 2465 1 6 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.129 -0.067 25538 2466 1 6 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.031 1.165 25538 2467 1 6 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.069 -0.293 25538 2468 1 6 . 1 1 31 31 LEU H H 31 8.599 8.599 8.950 -0.351 25538 2469 1 6 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.227 -0.090 25538 2470 1 6 . 1 1 32 32 PRO CA C 32 66.485 66.485 64.968 1.517 25538 2471 1 6 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.989 0.597 25538 2472 1 6 . 1 1 33 33 LEU N N 33 113.299 113.299 118.347 -5.048 25538 2473 1 6 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.394 -0.419 25538 2474 1 6 . 1 1 33 33 LEU C C 33 177.726 177.726 178.070 -0.344 25538 2475 1 6 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.278 0.862 25538 2476 1 6 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.920 -1.090 25538 2477 1 6 . 1 1 33 33 LEU H H 33 6.610 6.610 7.488 -0.878 25538 2478 1 6 . 1 1 34 34 LEU N N 34 121.730 121.730 122.042 -0.312 25538 2479 1 6 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.834 -0.438 25538 2480 1 6 . 1 1 34 34 LEU C C 34 177.467 177.467 178.245 -0.778 25538 2481 1 6 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.562 -0.301 25538 2482 1 6 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.850 -0.014 25538 2483 1 6 . 1 1 34 34 LEU H H 34 8.411 8.411 8.807 -0.396 25538 2484 1 6 . 1 1 35 35 LYS N N 35 114.927 114.927 116.842 -1.915 25538 2485 1 6 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.971 -0.167 25538 2486 1 6 . 1 1 35 35 LYS C C 35 180.207 180.207 179.104 1.103 25538 2487 1 6 . 1 1 35 35 LYS CA C 35 60.140 60.140 57.724 2.416 25538 2488 1 6 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.392 1.177 25538 2489 1 6 . 1 1 35 35 LYS H H 35 7.964 7.964 8.086 -0.122 25538 2490 1 6 . 1 1 36 36 ILE N N 36 119.935 119.935 120.417 -0.482 25538 2491 1 6 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.431 -0.128 25538 2492 1 6 . 1 1 36 36 ILE C C 36 176.418 176.418 177.765 -1.347 25538 2493 1 6 . 1 1 36 36 ILE CA C 36 64.484 64.484 63.065 1.419 25538 2494 1 6 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.345 1.284 25538 2495 1 6 . 1 1 36 36 ILE H H 36 6.739 6.739 7.472 -0.733 25538 2496 1 6 . 1 1 37 37 LEU N N 37 116.682 116.682 120.612 -3.930 25538 2497 1 6 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.448 0.080 25538 2498 1 6 . 1 1 37 37 LEU C C 37 180.263 180.263 179.045 1.218 25538 2499 1 6 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.136 0.089 25538 2500 1 6 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.622 -1.480 25538 2501 1 6 . 1 1 37 37 LEU H H 37 7.633 7.633 7.585 0.048 25538 2502 1 6 . 1 1 38 38 HIS N N 38 117.463 117.463 117.728 -0.265 25538 2503 1 6 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.129 0.553 25538 2504 1 6 . 1 1 38 38 HIS C C 38 179.936 179.936 177.874 2.062 25538 2505 1 6 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.947 -1.656 25538 2506 1 6 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.819 0.913 25538 2507 1 6 . 1 1 38 38 HIS H H 38 8.932 8.932 8.487 0.445 25538 2508 1 6 . 1 1 39 39 ALA N N 39 124.102 124.102 121.635 2.467 25538 2509 1 6 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.127 0.124 25538 2510 1 6 . 1 1 39 39 ALA C C 39 178.764 178.764 178.697 0.067 25538 2511 1 6 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.220 0.903 25538 2512 1 6 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.579 -0.468 25538 2513 1 6 . 1 1 39 39 ALA H H 39 7.951 7.951 8.096 -0.145 25538 2514 1 6 . 1 1 40 40 ALA N N 40 118.164 118.164 118.939 -0.775 25538 2515 1 6 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.333 0.088 25538 2516 1 6 . 1 1 40 40 ALA C C 40 176.261 176.261 177.820 -1.559 25538 2517 1 6 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.130 -0.994 25538 2518 1 6 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.341 1.771 25538 2519 1 6 . 1 1 40 40 ALA H H 40 7.647 7.647 8.093 -0.446 25538 2520 1 6 . 1 1 41 41 GLY N N 41 103.894 103.894 104.313 -0.419 25538 2521 1 6 . 1 1 41 41 GLY C C 41 174.412 174.412 174.296 0.116 25538 2522 1 6 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.482 0.372 25538 2523 1 6 . 1 1 41 41 GLY H H 41 7.677 7.677 7.733 -0.056 25538 2524 1 6 . 1 1 42 42 ALA N N 42 123.549 123.549 122.668 0.881 25538 2525 1 6 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.342 -0.712 25538 2526 1 6 . 1 1 42 42 ALA C C 42 175.956 175.956 175.154 0.802 25538 2527 1 6 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.537 1.143 25538 2528 1 6 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.174 -0.942 25538 2529 1 6 . 1 1 42 42 ALA H H 42 7.559 7.559 7.559 0.000 25538 2530 1 6 . 1 1 43 43 GLN N N 43 117.516 117.516 117.740 -0.224 25538 2531 1 6 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.693 0.685 25538 2532 1 6 . 1 1 43 43 GLN C C 43 175.528 175.528 175.035 0.493 25538 2533 1 6 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.682 -1.063 25538 2534 1 6 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.986 1.210 25538 2535 1 6 . 1 1 43 43 GLN H H 43 8.531 8.531 8.316 0.215 25538 2536 1 6 . 1 1 44 44 GLY N N 44 108.084 108.084 113.165 -5.081 25538 2537 1 6 . 1 1 44 44 GLY C C 44 174.073 174.073 174.665 -0.592 25538 2538 1 6 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.657 -0.034 25538 2539 1 6 . 1 1 44 44 GLY H H 44 8.535 8.535 8.215 0.320 25538 2540 1 6 . 1 1 45 45 GLU N N 45 114.485 114.485 123.264 -8.779 25538 2541 1 6 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.154 1.456 25538 2542 1 6 . 1 1 45 45 GLU C C 45 174.007 174.007 174.396 -0.389 25538 2543 1 6 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.120 0.730 25538 2544 1 6 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.267 4.768 25538 2545 1 6 . 1 1 45 45 GLU H H 45 8.293 8.293 8.830 -0.537 25538 2546 1 6 . 1 1 46 46 MET N N 46 115.370 115.370 118.426 -3.056 25538 2547 1 6 . 1 1 46 46 MET HA H 46 5.047 5.047 4.476 0.571 25538 2548 1 6 . 1 1 46 46 MET C C 46 174.637 174.637 173.920 0.717 25538 2549 1 6 . 1 1 46 46 MET CA C 46 54.239 54.239 54.064 0.175 25538 2550 1 6 . 1 1 46 46 MET CB C 46 35.727 35.727 33.113 2.614 25538 2551 1 6 . 1 1 46 46 MET H H 46 6.871 6.871 7.079 -0.208 25538 2552 1 6 . 1 1 47 47 PHE N N 47 118.922 118.922 119.224 -0.302 25538 2553 1 6 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.820 0.284 25538 2554 1 6 . 1 1 47 47 PHE C C 47 175.742 175.742 175.565 0.177 25538 2555 1 6 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.742 2.623 25538 2556 1 6 . 1 1 47 47 PHE CB C 47 46.882 46.882 38.633 8.249 25538 2557 1 6 . 1 1 47 47 PHE H H 47 8.611 8.611 6.644 1.967 25538 2558 1 6 . 1 1 48 48 THR N N 48 110.603 110.603 113.436 -2.833 25538 2559 1 6 . 1 1 48 48 THR HA H 48 4.982 4.982 4.421 0.561 25538 2560 1 6 . 1 1 48 48 THR C C 48 176.666 176.666 175.700 0.966 25538 2561 1 6 . 1 1 48 48 THR CA C 48 61.021 61.021 60.599 0.423 25538 2562 1 6 . 1 1 48 48 THR CB C 48 71.136 71.136 70.528 0.609 25538 2563 1 6 . 1 1 48 48 THR H H 48 9.113 9.113 8.180 0.933 25538 2564 1 6 . 1 1 49 49 VAL N N 49 121.595 121.595 121.438 0.157 25538 2565 1 6 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.633 -0.240 25538 2566 1 6 . 1 1 49 49 VAL C C 49 177.726 177.726 177.671 0.055 25538 2567 1 6 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.842 1.367 25538 2568 1 6 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.027 -0.666 25538 2569 1 6 . 1 1 49 49 VAL H H 49 9.074 9.074 8.888 0.186 25538 2570 1 6 . 1 1 50 50 LYS N N 50 118.504 118.504 118.863 -0.359 25538 2571 1 6 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.025 -0.066 25538 2572 1 6 . 1 1 50 50 LYS C C 50 180.060 180.060 179.115 0.945 25538 2573 1 6 . 1 1 50 50 LYS CA C 50 59.920 59.920 60.033 -0.113 25538 2574 1 6 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.701 1.106 25538 2575 1 6 . 1 1 50 50 LYS H H 50 8.131 8.131 8.599 -0.468 25538 2576 1 6 . 1 1 51 51 GLU N N 51 119.547 119.547 119.576 -0.029 25538 2577 1 6 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.153 -0.115 25538 2578 1 6 . 1 1 51 51 GLU C C 51 178.583 178.583 178.844 -0.261 25538 2579 1 6 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.934 0.922 25538 2580 1 6 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.511 1.891 25538 2581 1 6 . 1 1 51 51 GLU H H 51 7.882 7.882 7.785 0.097 25538 2582 1 6 . 1 1 52 52 VAL N N 52 119.078 119.078 121.468 -2.390 25538 2583 1 6 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.605 -0.351 25538 2584 1 6 . 1 1 52 52 VAL C C 52 177.546 177.546 178.454 -0.908 25538 2585 1 6 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.949 0.912 25538 2586 1 6 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.401 -0.170 25538 2587 1 6 . 1 1 52 52 VAL H H 52 8.258 8.258 8.778 -0.520 25538 2588 1 6 . 1 1 53 53 MET N N 53 114.606 114.606 117.260 -2.654 25538 2589 1 6 . 1 1 53 53 MET HA H 53 4.231 4.231 4.147 0.084 25538 2590 1 6 . 1 1 53 53 MET C C 53 178.640 178.640 178.544 0.096 25538 2591 1 6 . 1 1 53 53 MET CA C 53 57.902 57.902 57.322 0.580 25538 2592 1 6 . 1 1 53 53 MET CB C 53 32.640 32.640 30.895 1.745 25538 2593 1 6 . 1 1 53 53 MET H H 53 8.201 8.201 8.531 -0.330 25538 2594 1 6 . 1 1 54 54 HIS N N 54 118.707 118.707 120.654 -1.947 25538 2595 1 6 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.107 0.039 25538 2596 1 6 . 1 1 54 54 HIS C C 54 178.531 178.531 177.569 0.962 25538 2597 1 6 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.474 -0.462 25538 2598 1 6 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.621 0.539 25538 2599 1 6 . 1 1 54 54 HIS H H 54 8.122 8.122 7.833 0.289 25538 2600 1 6 . 1 1 55 55 TYR N N 55 116.875 116.875 117.920 -1.045 25538 2601 1 6 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.086 -0.218 25538 2602 1 6 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.417 2.320 25538 2603 1 6 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.603 1.431 25538 2604 1 6 . 1 1 55 55 TYR H H 55 8.480 8.480 8.373 0.107 25538 2605 1 6 . 1 1 56 56 LEU N N 56 120.976 120.976 120.635 0.341 25538 2606 1 6 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.990 -0.159 25538 2607 1 6 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.447 -0.084 25538 2608 1 6 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.477 0.915 25538 2609 1 6 . 1 1 56 56 LEU H H 56 8.452 8.452 8.350 0.102 25538 2610 1 6 . 1 1 57 57 GLY N N 57 105.050 105.050 106.513 -1.463 25538 2611 1 6 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.238 -0.092 25538 2612 1 6 . 1 1 57 57 GLY H H 57 7.710 7.710 8.588 -0.878 25538 2613 1 6 . 1 1 58 58 GLN N N 58 119.017 119.017 122.195 -3.178 25538 2614 1 6 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.885 -0.058 25538 2615 1 6 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.966 -0.288 25538 2616 1 6 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.555 0.320 25538 2617 1 6 . 1 1 58 58 GLN H H 58 7.649 7.649 7.748 -0.099 25538 2618 1 6 . 1 1 59 59 TYR N N 59 120.995 120.995 121.333 -0.338 25538 2619 1 6 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.153 -0.349 25538 2620 1 6 . 1 1 59 59 TYR C C 59 176.215 176.215 177.669 -1.454 25538 2621 1 6 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.137 0.428 25538 2622 1 6 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.530 0.073 25538 2623 1 6 . 1 1 59 59 TYR H H 59 8.500 8.500 8.354 0.146 25538 2624 1 6 . 1 1 60 60 ILE N N 60 116.781 116.781 119.830 -3.049 25538 2625 1 6 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.584 -0.309 25538 2626 1 6 . 1 1 60 60 ILE C C 60 177.952 177.952 178.183 -0.231 25538 2627 1 6 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.590 0.080 25538 2628 1 6 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.906 0.652 25538 2629 1 6 . 1 1 60 60 ILE H H 60 7.612 7.612 8.634 -1.022 25538 2630 1 6 . 1 1 61 61 MET N N 61 115.626 115.626 118.348 -2.722 25538 2631 1 6 . 1 1 61 61 MET HA H 61 4.529 4.529 4.165 0.364 25538 2632 1 6 . 1 1 61 61 MET C C 61 180.579 180.579 178.329 2.250 25538 2633 1 6 . 1 1 61 61 MET CA C 61 57.662 57.662 58.418 -0.756 25538 2634 1 6 . 1 1 61 61 MET CB C 61 31.449 31.449 32.048 -0.599 25538 2635 1 6 . 1 1 61 61 MET H H 61 7.717 7.717 8.044 -0.328 25538 2636 1 6 . 1 1 62 62 VAL N N 62 120.907 120.907 119.082 1.825 25538 2637 1 6 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.763 0.066 25538 2638 1 6 . 1 1 62 62 VAL C C 62 178.786 178.786 177.614 1.172 25538 2639 1 6 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.564 0.437 25538 2640 1 6 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.900 0.083 25538 2641 1 6 . 1 1 62 62 VAL H H 62 9.021 9.021 8.110 0.911 25538 2642 1 6 . 1 1 63 63 LYS N N 63 116.704 116.704 118.752 -2.048 25538 2643 1 6 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.187 -0.130 25538 2644 1 6 . 1 1 63 63 LYS C C 63 174.784 174.784 175.860 -1.076 25538 2645 1 6 . 1 1 63 63 LYS CA C 63 56.083 56.083 56.517 -0.434 25538 2646 1 6 . 1 1 63 63 LYS CB C 63 31.332 31.332 33.008 -1.676 25538 2647 1 6 . 1 1 63 63 LYS H H 63 7.824 7.824 7.849 -0.025 25538 2648 1 6 . 1 1 64 64 GLN N N 64 115.371 115.371 114.240 1.131 25538 2649 1 6 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.210 -0.589 25538 2650 1 6 . 1 1 64 64 GLN C C 64 175.550 175.550 175.601 -0.051 25538 2651 1 6 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.526 0.453 25538 2652 1 6 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.997 0.251 25538 2653 1 6 . 1 1 64 64 GLN H H 64 7.653 7.653 8.107 -0.454 25538 2654 1 6 . 1 1 65 65 LEU N N 65 115.332 115.332 121.041 -5.709 25538 2655 1 6 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.564 -0.129 25538 2656 1 6 . 1 1 65 65 LEU C C 65 175.979 175.979 175.795 0.184 25538 2657 1 6 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.571 1.030 25538 2658 1 6 . 1 1 65 65 LEU CB C 65 41.936 41.936 39.392 2.545 25538 2659 1 6 . 1 1 65 65 LEU H H 65 8.059 8.059 8.306 -0.247 25538 2660 1 6 . 1 1 66 66 TYR N N 66 113.240 113.240 115.327 -2.087 25538 2661 1 6 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.103 0.157 25538 2662 1 6 . 1 1 66 66 TYR C C 66 174.107 174.107 173.837 0.270 25538 2663 1 6 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.517 -0.843 25538 2664 1 6 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.781 -1.022 25538 2665 1 6 . 1 1 66 66 TYR H H 66 6.845 6.845 7.695 -0.850 25538 2666 1 6 . 1 1 67 67 ASP N N 67 122.255 122.255 120.969 1.286 25538 2667 1 6 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.846 -0.411 25538 2668 1 6 . 1 1 67 67 ASP C C 67 176.779 176.779 176.796 -0.017 25538 2669 1 6 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.774 1.012 25538 2670 1 6 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.973 -0.614 25538 2671 1 6 . 1 1 67 67 ASP H H 67 8.341 8.341 8.247 0.094 25538 2672 1 6 . 1 1 68 68 GLN N N 68 123.090 123.090 123.491 -0.401 25538 2673 1 6 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.180 -0.299 25538 2674 1 6 . 1 1 68 68 GLN C C 68 177.122 177.122 176.682 0.440 25538 2675 1 6 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.045 0.844 25538 2676 1 6 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.644 0.421 25538 2677 1 6 . 1 1 68 68 GLN H H 68 8.552 8.552 8.673 -0.121 25538 2678 1 6 . 1 1 69 69 GLN N N 69 115.295 115.295 119.246 -3.951 25538 2679 1 6 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.462 -0.123 25538 2680 1 6 . 1 1 69 69 GLN C C 69 176.272 176.272 176.819 -0.547 25538 2681 1 6 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.460 0.475 25538 2682 1 6 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.513 -0.597 25538 2683 1 6 . 1 1 69 69 GLN H H 69 8.347 8.347 8.527 -0.180 25538 2684 1 6 . 1 1 70 70 GLU N N 70 122.341 122.341 122.305 0.036 25538 2685 1 6 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.530 -0.039 25538 2686 1 6 . 1 1 70 70 GLU C C 70 175.832 175.832 176.376 -0.544 25538 2687 1 6 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.189 -0.103 25538 2688 1 6 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.326 1.212 25538 2689 1 6 . 1 1 70 70 GLU H H 70 8.237 8.237 8.738 -0.501 25538 2690 1 6 . 1 1 71 71 GLN N N 71 119.185 119.185 118.977 0.208 25538 2691 1 6 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.288 0.213 25538 2692 1 6 . 1 1 71 71 GLN C C 71 173.848 173.848 176.335 -2.487 25538 2693 1 6 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.057 1.743 25538 2694 1 6 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.916 -0.734 25538 2695 1 6 . 1 1 71 71 GLN H H 71 8.206 8.206 7.788 0.418 25538 2696 1 6 . 1 1 72 72 HIS N N 72 109.549 109.549 112.291 -2.742 25538 2697 1 6 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.481 -0.301 25538 2698 1 6 . 1 1 72 72 HIS C C 72 175.790 175.790 174.499 1.291 25538 2699 1 6 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.710 0.571 25538 2700 1 6 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.775 1.300 25538 2701 1 6 . 1 1 72 72 HIS H H 72 7.383 7.383 8.181 -0.798 25538 2702 1 6 . 1 1 73 73 MET N N 73 119.174 119.174 120.273 -1.099 25538 2703 1 6 . 1 1 73 73 MET HA H 73 4.570 4.570 4.664 -0.094 25538 2704 1 6 . 1 1 73 73 MET C C 73 174.242 174.242 173.992 0.250 25538 2705 1 6 . 1 1 73 73 MET CA C 73 53.027 53.027 53.735 -0.708 25538 2706 1 6 . 1 1 73 73 MET CB C 73 31.709 31.709 34.412 -2.703 25538 2707 1 6 . 1 1 73 73 MET H H 73 7.655 7.655 7.409 0.246 25538 2708 1 6 . 1 1 74 74 VAL N N 74 122.522 122.522 125.715 -3.193 25538 2709 1 6 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.206 -0.283 25538 2710 1 6 . 1 1 74 74 VAL C C 74 174.851 174.851 174.523 0.328 25538 2711 1 6 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.714 0.680 25538 2712 1 6 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.124 0.663 25538 2713 1 6 . 1 1 74 74 VAL H H 74 8.443 8.443 8.619 -0.176 25538 2714 1 6 . 1 1 75 75 TYR N N 75 125.773 125.773 124.191 1.582 25538 2715 1 6 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.074 -0.322 25538 2716 1 6 . 1 1 75 75 TYR C C 75 174.923 174.923 176.644 -1.721 25538 2717 1 6 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.600 1.212 25538 2718 1 6 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.305 0.328 25538 2719 1 6 . 1 1 75 75 TYR H H 75 8.256 8.256 8.874 -0.618 25538 2720 1 6 . 1 1 76 76 CYS N N 76 116.702 116.702 119.680 -2.978 25538 2721 1 6 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.769 -0.022 25538 2722 1 6 . 1 1 76 76 CYS C C 76 174.231 174.231 176.598 -2.367 25538 2723 1 6 . 1 1 76 76 CYS CA C 76 56.103 56.103 56.822 -0.719 25538 2724 1 6 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.977 3.612 25538 2725 1 6 . 1 1 76 76 CYS H H 76 8.266 8.266 8.358 -0.092 25538 2726 1 6 . 1 1 77 77 GLY N N 77 111.675 111.675 111.530 0.145 25538 2727 1 6 . 1 1 77 77 GLY C C 77 174.662 174.662 174.893 -0.231 25538 2728 1 6 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.089 0.060 25538 2729 1 6 . 1 1 77 77 GLY H H 77 8.483 8.483 7.785 0.698 25538 2730 1 6 . 1 1 78 78 GLY N N 78 113.022 113.022 107.839 5.183 25538 2731 1 6 . 1 1 78 78 GLY C C 78 172.811 172.811 173.476 -0.665 25538 2732 1 6 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.186 1.566 25538 2733 1 6 . 1 1 78 78 GLY H H 78 8.892 8.892 8.070 0.822 25538 2734 1 6 . 1 1 79 79 ASP N N 79 119.457 119.457 120.950 -1.493 25538 2735 1 6 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.862 0.030 25538 2736 1 6 . 1 1 79 79 ASP C C 79 176.302 176.302 177.257 -0.955 25538 2737 1 6 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.413 -0.366 25538 2738 1 6 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.386 3.885 25538 2739 1 6 . 1 1 79 79 ASP H H 79 7.795 7.795 7.797 -0.002 25538 2740 1 6 . 1 1 80 80 LEU N N 80 128.421 128.421 127.027 1.394 25538 2741 1 6 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.140 -0.076 25538 2742 1 6 . 1 1 80 80 LEU C C 80 179.059 179.059 177.987 1.072 25538 2743 1 6 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.609 0.914 25538 2744 1 6 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.314 0.333 25538 2745 1 6 . 1 1 80 80 LEU H H 80 8.549 8.549 8.751 -0.202 25538 2746 1 6 . 1 1 81 81 LEU N N 81 118.678 118.678 120.131 -1.453 25538 2747 1 6 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.030 -0.163 25538 2748 1 6 . 1 1 81 81 LEU C C 81 178.542 178.542 178.576 -0.034 25538 2749 1 6 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.721 -0.195 25538 2750 1 6 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.164 1.485 25538 2751 1 6 . 1 1 81 81 LEU H H 81 9.974 9.974 8.867 1.107 25538 2752 1 6 . 1 1 82 82 GLY N N 82 105.642 105.642 105.818 -0.176 25538 2753 1 6 . 1 1 82 82 GLY C C 82 176.907 176.907 176.476 0.431 25538 2754 1 6 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.184 0.809 25538 2755 1 6 . 1 1 82 82 GLY H H 82 7.543 7.543 8.522 -0.979 25538 2756 1 6 . 1 1 83 83 GLU N N 83 121.762 121.762 122.091 -0.329 25538 2757 1 6 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.075 -0.093 25538 2758 1 6 . 1 1 83 83 GLU C C 83 179.215 179.215 179.243 -0.028 25538 2759 1 6 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.282 -0.121 25538 2760 1 6 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.373 0.098 25538 2761 1 6 . 1 1 83 83 GLU H H 83 7.537 7.537 8.319 -0.782 25538 2762 1 6 . 1 1 84 84 LEU N N 84 118.478 118.478 120.066 -1.588 25538 2763 1 6 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.089 -0.065 25538 2764 1 6 . 1 1 84 84 LEU C C 84 178.842 178.842 179.288 -0.446 25538 2765 1 6 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.419 0.056 25538 2766 1 6 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.834 0.558 25538 2767 1 6 . 1 1 84 84 LEU H H 84 7.717 7.717 8.097 -0.380 25538 2768 1 6 . 1 1 85 85 LEU N N 85 115.268 115.268 114.266 1.002 25538 2769 1 6 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.190 -0.413 25538 2770 1 6 . 1 1 85 85 LEU C C 85 177.773 177.773 177.830 -0.057 25538 2771 1 6 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.351 0.024 25538 2772 1 6 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.222 1.671 25538 2773 1 6 . 1 1 85 85 LEU H H 85 8.091 8.091 8.185 -0.094 25538 2774 1 6 . 1 1 86 86 GLY N N 86 107.339 107.339 106.396 0.943 25538 2775 1 6 . 1 1 86 86 GLY C C 86 174.143 174.143 174.514 -0.371 25538 2776 1 6 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.046 1.269 25538 2777 1 6 . 1 1 86 86 GLY H H 86 7.993 7.993 7.990 0.003 25538 2778 1 6 . 1 1 87 87 ARG N N 87 113.292 113.292 119.253 -5.961 25538 2779 1 6 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.715 -0.061 25538 2780 1 6 . 1 1 87 87 ARG C C 87 174.720 174.720 175.369 -0.649 25538 2781 1 6 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.921 -0.761 25538 2782 1 6 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.860 1.596 25538 2783 1 6 . 1 1 87 87 ARG H H 87 7.407 7.407 7.289 0.118 25538 2784 1 6 . 1 1 88 88 GLN N N 88 116.042 116.042 121.343 -5.301 25538 2785 1 6 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.433 -0.387 25538 2786 1 6 . 1 1 88 88 GLN C C 88 175.946 175.946 175.016 0.930 25538 2787 1 6 . 1 1 88 88 GLN CA C 88 57.175 57.175 56.781 0.394 25538 2788 1 6 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.056 0.734 25538 2789 1 6 . 1 1 88 88 GLN H H 88 8.660 8.660 8.626 0.034 25538 2790 1 6 . 1 1 89 89 SER N N 89 110.533 110.533 110.947 -0.414 25538 2791 1 6 . 1 1 89 89 SER HA H 89 5.431 5.431 4.879 0.552 25538 2792 1 6 . 1 1 89 89 SER C C 89 173.062 173.062 172.967 0.095 25538 2793 1 6 . 1 1 89 89 SER CA C 89 57.019 57.019 56.697 0.322 25538 2794 1 6 . 1 1 89 89 SER CB C 89 66.577 66.577 65.724 0.854 25538 2795 1 6 . 1 1 89 89 SER H H 89 7.620 7.620 7.469 0.151 25538 2796 1 6 . 1 1 90 90 PHE N N 90 115.219 115.219 117.896 -2.677 25538 2797 1 6 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.896 -0.201 25538 2798 1 6 . 1 1 90 90 PHE C C 90 175.233 175.233 172.665 2.568 25538 2799 1 6 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.659 0.436 25538 2800 1 6 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.492 -0.146 25538 2801 1 6 . 1 1 90 90 PHE H H 90 8.557 8.557 7.732 0.825 25538 2802 1 6 . 1 1 91 91 SER N N 91 113.681 113.681 115.502 -1.821 25538 2803 1 6 . 1 1 91 91 SER HA H 91 5.391 5.391 5.041 0.350 25538 2804 1 6 . 1 1 91 91 SER CA C 91 54.564 54.564 55.011 -0.447 25538 2805 1 6 . 1 1 91 91 SER CB C 91 65.366 65.366 65.300 0.066 25538 2806 1 6 . 1 1 91 91 SER H H 91 9.006 9.006 8.808 0.198 25538 2807 1 6 . 1 1 92 92 VAL N N 92 121.388 121.388 127.155 -5.767 25538 2808 1 6 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.950 -0.007 25538 2809 1 6 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.839 -0.644 25538 2810 1 6 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.152 -0.921 25538 2811 1 6 . 1 1 92 92 VAL H H 92 8.983 8.983 9.085 -0.102 25538 2812 1 6 . 1 1 93 93 LYS N N 93 116.161 116.161 119.915 -3.754 25538 2813 1 6 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.288 -0.305 25538 2814 1 6 . 1 1 93 93 LYS C C 93 177.088 177.088 176.111 0.977 25538 2815 1 6 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.776 0.405 25538 2816 1 6 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.092 -0.968 25538 2817 1 6 . 1 1 93 93 LYS H H 93 8.078 8.078 7.789 0.289 25538 2818 1 6 . 1 1 94 94 ASP N N 94 115.406 115.406 118.591 -3.185 25538 2819 1 6 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.037 -0.088 25538 2820 1 6 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.352 0.205 25538 2821 1 6 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.706 -0.261 25538 2822 1 6 . 1 1 94 94 ASP H H 94 7.385 7.385 7.780 -0.395 25538 2823 1 6 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.724 -0.287 25538 2824 1 6 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.433 0.456 25538 2825 1 6 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.880 0.880 25538 2826 1 6 . 1 1 96 96 SER N N 96 118.819 118.819 117.802 1.017 25538 2827 1 6 . 1 1 96 96 SER HA H 96 4.220 4.220 4.238 -0.018 25538 2828 1 6 . 1 1 96 96 SER CA C 96 64.406 64.406 64.417 -0.011 25538 2829 1 6 . 1 1 96 96 SER CB C 96 61.862 61.862 61.227 0.635 25538 2830 1 6 . 1 1 96 96 SER H H 96 8.104 8.104 8.105 -0.001 25538 2831 1 6 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.402 -0.053 25538 2832 1 6 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.151 0.760 25538 2833 1 6 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.522 -0.027 25538 2834 1 6 . 1 1 98 98 LEU N N 98 118.063 118.063 120.653 -2.590 25538 2835 1 6 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.863 -0.260 25538 2836 1 6 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.615 -0.514 25538 2837 1 6 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.604 -0.208 25538 2838 1 6 . 1 1 98 98 LEU H H 98 7.087 7.087 7.268 -0.181 25538 2839 1 6 . 1 1 99 99 TYR N N 99 118.063 118.063 118.773 -0.710 25538 2840 1 6 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.016 0.128 25538 2841 1 6 . 1 1 99 99 TYR C C 99 178.914 178.914 177.898 1.016 25538 2842 1 6 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.764 -1.496 25538 2843 1 6 . 1 1 99 99 TYR CB C 99 36.968 36.968 38.045 -1.077 25538 2844 1 6 . 1 1 99 99 TYR H H 99 7.594 7.594 8.629 -1.035 25538 2845 1 6 . 1 1 100 100 ASP N N 100 119.682 119.682 119.866 -0.184 25538 2846 1 6 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.320 0.006 25538 2847 1 6 . 1 1 100 100 ASP C C 100 177.737 177.737 178.227 -0.490 25538 2848 1 6 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.272 0.603 25538 2849 1 6 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.911 0.177 25538 2850 1 6 . 1 1 100 100 ASP H H 100 8.315 8.315 7.786 0.529 25538 2851 1 6 . 1 1 101 101 MET N N 101 118.784 118.784 118.677 0.107 25538 2852 1 6 . 1 1 101 101 MET HA H 101 3.969 3.969 4.146 -0.177 25538 2853 1 6 . 1 1 101 101 MET C C 101 180.080 180.080 177.892 2.188 25538 2854 1 6 . 1 1 101 101 MET CA C 101 59.420 59.420 58.643 0.777 25538 2855 1 6 . 1 1 101 101 MET CB C 101 31.642 31.642 32.546 -0.904 25538 2856 1 6 . 1 1 101 101 MET H H 101 7.245 7.245 7.986 -0.741 25538 2857 1 6 . 1 1 102 102 LEU N N 102 121.572 121.572 118.931 2.641 25538 2858 1 6 . 1 1 102 102 LEU HA H 102 3.701 3.701 4.058 -0.357 25538 2859 1 6 . 1 1 102 102 LEU C C 102 178.566 178.566 178.929 -0.363 25538 2860 1 6 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.913 0.830 25538 2861 1 6 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.108 0.338 25538 2862 1 6 . 1 1 102 102 LEU H H 102 8.471 8.471 8.071 0.400 25538 2863 1 6 . 1 1 103 103 ARG N N 103 117.180 117.180 116.053 1.127 25538 2864 1 6 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.081 -0.111 25538 2865 1 6 . 1 1 103 103 ARG C C 103 178.818 178.818 176.720 2.098 25538 2866 1 6 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.279 1.224 25538 2867 1 6 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.532 -0.316 25538 2868 1 6 . 1 1 103 103 ARG H H 103 7.933 7.933 8.070 -0.137 25538 2869 1 6 . 1 1 104 104 LYS N N 104 114.206 114.206 115.077 -0.871 25538 2870 1 6 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.333 -0.117 25538 2871 1 6 . 1 1 104 104 LYS C C 104 177.556 177.556 176.194 1.362 25538 2872 1 6 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.152 0.601 25538 2873 1 6 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.771 1.329 25538 2874 1 6 . 1 1 104 104 LYS H H 104 7.171 7.171 7.405 -0.234 25538 2875 1 6 . 1 1 105 105 ASN N N 105 114.097 114.097 118.433 -4.336 25538 2876 1 6 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.837 -0.106 25538 2877 1 6 . 1 1 105 105 ASN C C 105 172.822 172.822 175.728 -2.906 25538 2878 1 6 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.616 0.227 25538 2879 1 6 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.340 2.001 25538 2880 1 6 . 1 1 105 105 ASN H H 105 7.661 7.661 7.723 -0.062 25538 2881 1 6 . 1 1 106 106 LEU N N 106 118.656 118.656 120.140 -1.484 25538 2882 1 6 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.453 0.218 25538 2883 1 6 . 1 1 106 106 LEU C C 106 175.658 175.658 178.894 -3.236 25538 2884 1 6 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.496 -1.338 25538 2885 1 6 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.684 0.926 25538 2886 1 6 . 1 1 106 106 LEU H H 106 7.440 7.440 8.233 -0.793 25538 2887 1 6 . 1 1 107 107 VAL N N 107 122.765 122.765 117.845 4.920 25538 2888 1 6 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.106 0.108 25538 2889 1 6 . 1 1 107 107 VAL C C 107 176.054 176.054 175.278 0.776 25538 2890 1 6 . 1 1 107 107 VAL CA C 107 62.143 62.143 61.909 0.234 25538 2891 1 6 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.196 4.360 25538 2892 1 6 . 1 1 107 107 VAL H H 107 8.158 8.158 8.070 0.088 25538 2893 1 6 . 1 1 108 108 THR N N 108 120.921 120.921 113.960 6.961 25538 2894 1 6 . 1 1 108 108 THR HA H 108 4.332 4.332 3.977 0.355 25538 2895 1 6 . 1 1 108 108 THR C C 108 174.216 174.216 173.551 0.665 25538 2896 1 6 . 1 1 108 108 THR CA C 108 62.726 62.726 63.110 -0.384 25538 2897 1 6 . 1 1 108 108 THR CB C 108 69.777 69.777 68.400 1.377 25538 2898 1 6 . 1 1 108 108 THR H H 108 8.524 8.524 7.973 0.551 25538 2899 1 6 . 1 1 109 109 LEU N N 109 125.518 125.518 122.291 3.227 25538 2900 1 6 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.373 -0.018 25538 2901 1 6 . 1 1 109 109 LEU C C 109 176.523 176.523 176.243 0.280 25538 2902 1 6 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.196 0.851 25538 2903 1 6 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.945 0.645 25538 2904 1 6 . 1 1 109 109 LEU H H 109 8.312 8.312 8.025 0.286 25538 2905 1 6 . 1 1 110 110 ALA N N 110 125.099 125.099 126.632 -1.533 25538 2906 1 6 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.710 -0.344 25538 2907 1 6 . 1 1 110 110 ALA C C 110 176.847 176.847 175.941 0.906 25538 2908 1 6 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.878 0.750 25538 2909 1 6 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.484 -1.778 25538 2910 1 6 . 1 1 110 110 ALA H H 110 8.257 8.257 8.318 -0.061 25538 2911 1 7 . 1 1 24 24 ILE N N 24 120.669 120.669 122.167 -1.498 25538 2912 1 7 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.914 0.233 25538 2913 1 7 . 1 1 24 24 ILE C C 24 175.650 175.650 176.182 -0.532 25538 2914 1 7 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.994 -0.652 25538 2915 1 7 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.600 1.377 25538 2916 1 7 . 1 1 24 24 ILE H H 24 8.122 8.122 8.469 -0.347 25538 2917 1 7 . 1 1 25 25 ASN N N 25 121.886 121.886 125.704 -3.818 25538 2918 1 7 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.806 -0.104 25538 2919 1 7 . 1 1 25 25 ASN C C 25 174.775 174.775 174.441 0.334 25538 2920 1 7 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.120 0.610 25538 2921 1 7 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.234 0.067 25538 2922 1 7 . 1 1 25 25 ASN H H 25 8.436 8.436 8.785 -0.349 25538 2923 1 7 . 1 1 26 26 GLN N N 26 118.706 118.706 121.045 -2.339 25538 2924 1 7 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.527 0.055 25538 2925 1 7 . 1 1 26 26 GLN C C 26 175.291 175.291 174.500 0.791 25538 2926 1 7 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.553 0.086 25538 2927 1 7 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.331 2.888 25538 2928 1 7 . 1 1 26 26 GLN H H 26 8.208 8.208 8.351 -0.143 25538 2929 1 7 . 1 1 27 27 VAL N N 27 113.658 113.658 121.769 -8.111 25538 2930 1 7 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.324 0.552 25538 2931 1 7 . 1 1 27 27 VAL C C 27 173.900 173.900 173.790 0.110 25538 2932 1 7 . 1 1 27 27 VAL CA C 27 59.116 59.116 62.984 -3.869 25538 2933 1 7 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.651 1.363 25538 2934 1 7 . 1 1 27 27 VAL H H 27 9.401 9.401 8.380 1.021 25538 2935 1 7 . 1 1 28 28 ARG N N 28 121.535 121.535 126.275 -4.740 25538 2936 1 7 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.732 0.725 25538 2937 1 7 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.613 -1.042 25538 2938 1 7 . 1 1 28 28 ARG CB C 28 33.652 33.652 33.048 0.604 25538 2939 1 7 . 1 1 28 28 ARG H H 28 8.904 8.904 8.405 0.499 25538 2940 1 7 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.739 0.270 25538 2941 1 7 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.076 0.864 25538 2942 1 7 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.420 -1.166 25538 2943 1 7 . 1 1 30 30 LYS N N 30 121.258 121.258 119.364 1.894 25538 2944 1 7 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.418 -0.217 25538 2945 1 7 . 1 1 30 30 LYS C C 30 177.557 177.557 177.320 0.237 25538 2946 1 7 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.562 1.823 25538 2947 1 7 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.283 -0.433 25538 2948 1 7 . 1 1 30 30 LYS H H 30 8.477 8.477 7.980 0.497 25538 2949 1 7 . 1 1 31 31 LEU N N 31 121.577 121.577 126.576 -4.999 25538 2950 1 7 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.211 -0.149 25538 2951 1 7 . 1 1 31 31 LEU CA C 31 60.196 60.196 58.736 1.460 25538 2952 1 7 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.017 -0.242 25538 2953 1 7 . 1 1 31 31 LEU H H 31 8.599 8.599 8.889 -0.290 25538 2954 1 7 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.219 -0.082 25538 2955 1 7 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.792 0.693 25538 2956 1 7 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.151 0.435 25538 2957 1 7 . 1 1 33 33 LEU N N 33 113.299 113.299 118.354 -5.055 25538 2958 1 7 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.261 -0.286 25538 2959 1 7 . 1 1 33 33 LEU C C 33 177.726 177.726 178.456 -0.730 25538 2960 1 7 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.644 -0.504 25538 2961 1 7 . 1 1 33 33 LEU CB C 33 41.830 41.830 41.735 0.095 25538 2962 1 7 . 1 1 33 33 LEU H H 33 6.610 6.610 7.616 -1.006 25538 2963 1 7 . 1 1 34 34 LEU N N 34 121.730 121.730 122.512 -0.782 25538 2964 1 7 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.840 -0.444 25538 2965 1 7 . 1 1 34 34 LEU C C 34 177.467 177.467 178.345 -0.878 25538 2966 1 7 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.799 -0.538 25538 2967 1 7 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.744 0.092 25538 2968 1 7 . 1 1 34 34 LEU H H 34 8.411 8.411 8.888 -0.477 25538 2969 1 7 . 1 1 35 35 LYS N N 35 114.927 114.927 117.806 -2.879 25538 2970 1 7 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.921 -0.117 25538 2971 1 7 . 1 1 35 35 LYS C C 35 180.207 180.207 179.151 1.056 25538 2972 1 7 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.766 1.374 25538 2973 1 7 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.695 0.874 25538 2974 1 7 . 1 1 35 35 LYS H H 35 7.964 7.964 7.888 0.076 25538 2975 1 7 . 1 1 36 36 ILE N N 36 119.935 119.935 120.686 -0.751 25538 2976 1 7 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.434 -0.132 25538 2977 1 7 . 1 1 36 36 ILE C C 36 176.418 176.418 177.760 -1.342 25538 2978 1 7 . 1 1 36 36 ILE CA C 36 64.484 64.484 63.475 1.009 25538 2979 1 7 . 1 1 36 36 ILE CB C 36 37.629 37.629 37.281 0.348 25538 2980 1 7 . 1 1 36 36 ILE H H 36 6.739 6.739 7.258 -0.519 25538 2981 1 7 . 1 1 37 37 LEU N N 37 116.682 116.682 120.716 -4.034 25538 2982 1 7 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.405 0.123 25538 2983 1 7 . 1 1 37 37 LEU C C 37 180.263 180.263 178.799 1.464 25538 2984 1 7 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.363 -0.138 25538 2985 1 7 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.846 -1.704 25538 2986 1 7 . 1 1 37 37 LEU H H 37 7.633 7.633 8.130 -0.497 25538 2987 1 7 . 1 1 38 38 HIS N N 38 117.463 117.463 117.954 -0.491 25538 2988 1 7 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.096 0.586 25538 2989 1 7 . 1 1 38 38 HIS C C 38 179.936 179.936 177.818 2.118 25538 2990 1 7 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.122 -1.831 25538 2991 1 7 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.892 0.840 25538 2992 1 7 . 1 1 38 38 HIS H H 38 8.932 8.932 8.618 0.314 25538 2993 1 7 . 1 1 39 39 ALA N N 39 124.102 124.102 121.516 2.586 25538 2994 1 7 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.134 0.117 25538 2995 1 7 . 1 1 39 39 ALA C C 39 178.764 178.764 178.604 0.160 25538 2996 1 7 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.223 0.900 25538 2997 1 7 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.635 -0.524 25538 2998 1 7 . 1 1 39 39 ALA H H 39 7.951 7.951 8.088 -0.137 25538 2999 1 7 . 1 1 40 40 ALA N N 40 118.164 118.164 118.678 -0.514 25538 3000 1 7 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.351 0.070 25538 3001 1 7 . 1 1 40 40 ALA C C 40 176.261 176.261 177.446 -1.185 25538 3002 1 7 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.739 -0.603 25538 3003 1 7 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.355 1.757 25538 3004 1 7 . 1 1 40 40 ALA H H 40 7.647 7.647 7.980 -0.333 25538 3005 1 7 . 1 1 41 41 GLY N N 41 103.894 103.894 103.952 -0.058 25538 3006 1 7 . 1 1 41 41 GLY C C 41 174.412 174.412 174.134 0.278 25538 3007 1 7 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.741 0.113 25538 3008 1 7 . 1 1 41 41 GLY H H 41 7.677 7.677 7.680 -0.003 25538 3009 1 7 . 1 1 42 42 ALA N N 42 123.549 123.549 122.817 0.732 25538 3010 1 7 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.273 -0.643 25538 3011 1 7 . 1 1 42 42 ALA C C 42 175.956 175.956 175.597 0.359 25538 3012 1 7 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.639 1.041 25538 3013 1 7 . 1 1 42 42 ALA CB C 42 19.233 19.233 19.783 -0.550 25538 3014 1 7 . 1 1 42 42 ALA H H 42 7.559 7.559 7.587 -0.028 25538 3015 1 7 . 1 1 43 43 GLN N N 43 117.516 117.516 117.959 -0.443 25538 3016 1 7 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.875 0.503 25538 3017 1 7 . 1 1 43 43 GLN C C 43 175.528 175.528 175.762 -0.234 25538 3018 1 7 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.297 -0.678 25538 3019 1 7 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.852 1.344 25538 3020 1 7 . 1 1 43 43 GLN H H 43 8.531 8.531 8.392 0.139 25538 3021 1 7 . 1 1 44 44 GLY N N 44 108.084 108.084 112.301 -4.217 25538 3022 1 7 . 1 1 44 44 GLY C C 44 174.073 174.073 174.380 -0.307 25538 3023 1 7 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.162 -0.539 25538 3024 1 7 . 1 1 44 44 GLY H H 44 8.535 8.535 8.331 0.204 25538 3025 1 7 . 1 1 45 45 GLU N N 45 114.485 114.485 117.818 -3.333 25538 3026 1 7 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.100 0.510 25538 3027 1 7 . 1 1 45 45 GLU C C 45 174.007 174.007 174.931 -0.924 25538 3028 1 7 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.002 0.848 25538 3029 1 7 . 1 1 45 45 GLU CB C 45 33.035 33.035 30.290 2.745 25538 3030 1 7 . 1 1 45 45 GLU H H 45 8.293 8.293 8.512 -0.219 25538 3031 1 7 . 1 1 46 46 MET N N 46 115.370 115.370 119.568 -4.198 25538 3032 1 7 . 1 1 46 46 MET HA H 46 5.047 5.047 4.333 0.714 25538 3033 1 7 . 1 1 46 46 MET C C 46 174.637 174.637 174.465 0.172 25538 3034 1 7 . 1 1 46 46 MET CA C 46 54.239 54.239 54.007 0.232 25538 3035 1 7 . 1 1 46 46 MET CB C 46 35.727 35.727 31.602 4.125 25538 3036 1 7 . 1 1 46 46 MET H H 46 6.871 6.871 7.288 -0.417 25538 3037 1 7 . 1 1 47 47 PHE N N 47 118.922 118.922 122.370 -3.448 25538 3038 1 7 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.935 0.169 25538 3039 1 7 . 1 1 47 47 PHE C C 47 175.742 175.742 174.359 1.383 25538 3040 1 7 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.183 2.182 25538 3041 1 7 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.354 6.528 25538 3042 1 7 . 1 1 47 47 PHE H H 47 8.611 8.611 7.515 1.096 25538 3043 1 7 . 1 1 48 48 THR N N 48 110.603 110.603 111.614 -1.011 25538 3044 1 7 . 1 1 48 48 THR HA H 48 4.982 4.982 4.514 0.468 25538 3045 1 7 . 1 1 48 48 THR C C 48 176.666 176.666 176.622 0.044 25538 3046 1 7 . 1 1 48 48 THR CA C 48 61.021 61.021 60.469 0.552 25538 3047 1 7 . 1 1 48 48 THR CB C 48 71.136 71.136 70.118 1.018 25538 3048 1 7 . 1 1 48 48 THR H H 48 9.113 9.113 8.084 1.029 25538 3049 1 7 . 1 1 49 49 VAL N N 49 121.595 121.595 120.375 1.220 25538 3050 1 7 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.546 -0.153 25538 3051 1 7 . 1 1 49 49 VAL C C 49 177.726 177.726 178.085 -0.359 25538 3052 1 7 . 1 1 49 49 VAL CA C 49 68.209 68.209 67.759 0.450 25538 3053 1 7 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.445 -0.084 25538 3054 1 7 . 1 1 49 49 VAL H H 49 9.074 9.074 8.946 0.128 25538 3055 1 7 . 1 1 50 50 LYS N N 50 118.504 118.504 118.649 -0.145 25538 3056 1 7 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.021 -0.062 25538 3057 1 7 . 1 1 50 50 LYS C C 50 180.060 180.060 179.134 0.926 25538 3058 1 7 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.752 0.168 25538 3059 1 7 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.893 0.914 25538 3060 1 7 . 1 1 50 50 LYS H H 50 8.131 8.131 8.541 -0.410 25538 3061 1 7 . 1 1 51 51 GLU N N 51 119.547 119.547 119.616 -0.069 25538 3062 1 7 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.062 -0.024 25538 3063 1 7 . 1 1 51 51 GLU C C 51 178.583 178.583 178.966 -0.383 25538 3064 1 7 . 1 1 51 51 GLU CA C 51 59.856 59.856 59.020 0.836 25538 3065 1 7 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.480 1.922 25538 3066 1 7 . 1 1 51 51 GLU H H 51 7.882 7.882 7.748 0.134 25538 3067 1 7 . 1 1 52 52 VAL N N 52 119.078 119.078 121.118 -2.040 25538 3068 1 7 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.636 -0.382 25538 3069 1 7 . 1 1 52 52 VAL C C 52 177.546 177.546 178.504 -0.958 25538 3070 1 7 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.826 1.035 25538 3071 1 7 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.808 -0.577 25538 3072 1 7 . 1 1 52 52 VAL H H 52 8.258 8.258 8.707 -0.449 25538 3073 1 7 . 1 1 53 53 MET N N 53 114.606 114.606 116.994 -2.388 25538 3074 1 7 . 1 1 53 53 MET HA H 53 4.231 4.231 4.162 0.069 25538 3075 1 7 . 1 1 53 53 MET C C 53 178.640 178.640 178.571 0.069 25538 3076 1 7 . 1 1 53 53 MET CA C 53 57.902 57.902 56.888 1.014 25538 3077 1 7 . 1 1 53 53 MET CB C 53 32.640 32.640 30.860 1.780 25538 3078 1 7 . 1 1 53 53 MET H H 53 8.201 8.201 8.366 -0.165 25538 3079 1 7 . 1 1 54 54 HIS N N 54 118.707 118.707 121.220 -2.513 25538 3080 1 7 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.101 0.045 25538 3081 1 7 . 1 1 54 54 HIS C C 54 178.531 178.531 177.396 1.135 25538 3082 1 7 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.987 -0.975 25538 3083 1 7 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.729 0.431 25538 3084 1 7 . 1 1 54 54 HIS H H 54 8.122 8.122 7.941 0.181 25538 3085 1 7 . 1 1 55 55 TYR N N 55 116.875 116.875 118.278 -1.403 25538 3086 1 7 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.115 -0.247 25538 3087 1 7 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.516 2.221 25538 3088 1 7 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.639 1.395 25538 3089 1 7 . 1 1 55 55 TYR H H 55 8.480 8.480 8.473 0.007 25538 3090 1 7 . 1 1 56 56 LEU N N 56 120.976 120.976 119.997 0.979 25538 3091 1 7 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.891 -0.060 25538 3092 1 7 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.922 0.440 25538 3093 1 7 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.458 0.934 25538 3094 1 7 . 1 1 56 56 LEU H H 56 8.452 8.452 8.420 0.032 25538 3095 1 7 . 1 1 57 57 GLY N N 57 105.050 105.050 106.769 -1.719 25538 3096 1 7 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.000 0.146 25538 3097 1 7 . 1 1 57 57 GLY H H 57 7.710 7.710 8.433 -0.723 25538 3098 1 7 . 1 1 58 58 GLN N N 58 119.017 119.017 122.086 -3.069 25538 3099 1 7 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.814 0.013 25538 3100 1 7 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.178 -0.500 25538 3101 1 7 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.530 0.345 25538 3102 1 7 . 1 1 58 58 GLN H H 58 7.649 7.649 8.149 -0.500 25538 3103 1 7 . 1 1 59 59 TYR N N 59 120.995 120.995 121.122 -0.127 25538 3104 1 7 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.163 -0.359 25538 3105 1 7 . 1 1 59 59 TYR C C 59 176.215 176.215 177.845 -1.630 25538 3106 1 7 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.148 0.417 25538 3107 1 7 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.511 0.092 25538 3108 1 7 . 1 1 59 59 TYR H H 59 8.500 8.500 8.428 0.072 25538 3109 1 7 . 1 1 60 60 ILE N N 60 116.781 116.781 120.057 -3.276 25538 3110 1 7 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.583 -0.308 25538 3111 1 7 . 1 1 60 60 ILE C C 60 177.952 177.952 178.234 -0.282 25538 3112 1 7 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.852 -0.182 25538 3113 1 7 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.972 0.586 25538 3114 1 7 . 1 1 60 60 ILE H H 60 7.612 7.612 8.480 -0.868 25538 3115 1 7 . 1 1 61 61 MET N N 61 115.626 115.626 117.482 -1.856 25538 3116 1 7 . 1 1 61 61 MET HA H 61 4.529 4.529 4.242 0.287 25538 3117 1 7 . 1 1 61 61 MET C C 61 180.579 180.579 178.678 1.901 25538 3118 1 7 . 1 1 61 61 MET CA C 61 57.662 57.662 57.488 0.174 25538 3119 1 7 . 1 1 61 61 MET CB C 61 31.449 31.449 31.599 -0.150 25538 3120 1 7 . 1 1 61 61 MET H H 61 7.717 7.717 8.113 -0.396 25538 3121 1 7 . 1 1 62 62 VAL N N 62 120.907 120.907 119.152 1.755 25538 3122 1 7 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.836 -0.007 25538 3123 1 7 . 1 1 62 62 VAL C C 62 178.786 178.786 177.616 1.170 25538 3124 1 7 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.646 0.355 25538 3125 1 7 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.980 0.003 25538 3126 1 7 . 1 1 62 62 VAL H H 62 9.021 9.021 8.210 0.811 25538 3127 1 7 . 1 1 63 63 LYS N N 63 116.704 116.704 117.372 -0.668 25538 3128 1 7 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.278 -0.221 25538 3129 1 7 . 1 1 63 63 LYS C C 63 174.784 174.784 175.517 -0.733 25538 3130 1 7 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.588 0.495 25538 3131 1 7 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.646 -1.314 25538 3132 1 7 . 1 1 63 63 LYS H H 63 7.824 7.824 7.801 0.023 25538 3133 1 7 . 1 1 64 64 GLN N N 64 115.371 115.371 115.019 0.352 25538 3134 1 7 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.202 -0.581 25538 3135 1 7 . 1 1 64 64 GLN C C 64 175.550 175.550 175.734 -0.184 25538 3136 1 7 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.277 0.702 25538 3137 1 7 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.929 0.319 25538 3138 1 7 . 1 1 64 64 GLN H H 64 7.653 7.653 8.035 -0.382 25538 3139 1 7 . 1 1 65 65 LEU N N 65 115.332 115.332 121.032 -5.700 25538 3140 1 7 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.528 -0.093 25538 3141 1 7 . 1 1 65 65 LEU C C 65 175.979 175.979 175.783 0.196 25538 3142 1 7 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.562 1.039 25538 3143 1 7 . 1 1 65 65 LEU CB C 65 41.936 41.936 39.272 2.664 25538 3144 1 7 . 1 1 65 65 LEU H H 65 8.059 8.059 8.234 -0.175 25538 3145 1 7 . 1 1 66 66 TYR N N 66 113.240 113.240 115.511 -2.271 25538 3146 1 7 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.143 0.117 25538 3147 1 7 . 1 1 66 66 TYR C C 66 174.107 174.107 173.887 0.220 25538 3148 1 7 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.489 -0.815 25538 3149 1 7 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.854 -1.095 25538 3150 1 7 . 1 1 66 66 TYR H H 66 6.845 6.845 7.688 -0.843 25538 3151 1 7 . 1 1 67 67 ASP N N 67 122.255 122.255 121.368 0.887 25538 3152 1 7 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.828 -0.393 25538 3153 1 7 . 1 1 67 67 ASP C C 67 176.779 176.779 177.011 -0.232 25538 3154 1 7 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.739 1.046 25538 3155 1 7 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.864 -0.505 25538 3156 1 7 . 1 1 67 67 ASP H H 67 8.341 8.341 8.252 0.089 25538 3157 1 7 . 1 1 68 68 GLN N N 68 123.090 123.090 124.135 -1.045 25538 3158 1 7 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.163 -0.282 25538 3159 1 7 . 1 1 68 68 GLN C C 68 177.122 177.122 176.217 0.905 25538 3160 1 7 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.877 1.012 25538 3161 1 7 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.094 0.971 25538 3162 1 7 . 1 1 68 68 GLN H H 68 8.552 8.552 8.716 -0.164 25538 3163 1 7 . 1 1 69 69 GLN N N 69 115.295 115.295 119.619 -4.324 25538 3164 1 7 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.422 -0.083 25538 3165 1 7 . 1 1 69 69 GLN C C 69 176.272 176.272 176.798 -0.526 25538 3166 1 7 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.438 0.497 25538 3167 1 7 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.618 -0.702 25538 3168 1 7 . 1 1 69 69 GLN H H 69 8.347 8.347 8.519 -0.172 25538 3169 1 7 . 1 1 70 70 GLU N N 70 122.341 122.341 121.969 0.372 25538 3170 1 7 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.338 0.153 25538 3171 1 7 . 1 1 70 70 GLU C C 70 175.832 175.832 175.979 -0.147 25538 3172 1 7 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.076 0.010 25538 3173 1 7 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.059 1.479 25538 3174 1 7 . 1 1 70 70 GLU H H 70 8.237 8.237 8.652 -0.415 25538 3175 1 7 . 1 1 71 71 GLN N N 71 119.185 119.185 118.725 0.460 25538 3176 1 7 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.293 0.208 25538 3177 1 7 . 1 1 71 71 GLN C C 71 173.848 173.848 176.299 -2.451 25538 3178 1 7 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.920 1.880 25538 3179 1 7 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.893 -0.711 25538 3180 1 7 . 1 1 71 71 GLN H H 71 8.206 8.206 7.655 0.551 25538 3181 1 7 . 1 1 72 72 HIS N N 72 109.549 109.549 111.405 -1.856 25538 3182 1 7 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.554 -0.374 25538 3183 1 7 . 1 1 72 72 HIS C C 72 175.790 175.790 174.560 1.230 25538 3184 1 7 . 1 1 72 72 HIS CA C 72 56.281 56.281 54.714 1.567 25538 3185 1 7 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.305 1.770 25538 3186 1 7 . 1 1 72 72 HIS H H 72 7.383 7.383 7.535 -0.152 25538 3187 1 7 . 1 1 73 73 MET N N 73 119.174 119.174 120.933 -1.759 25538 3188 1 7 . 1 1 73 73 MET HA H 73 4.570 4.570 4.775 -0.205 25538 3189 1 7 . 1 1 73 73 MET C C 73 174.242 174.242 174.158 0.084 25538 3190 1 7 . 1 1 73 73 MET CA C 73 53.027 53.027 53.870 -0.843 25538 3191 1 7 . 1 1 73 73 MET CB C 73 31.709 31.709 34.306 -2.597 25538 3192 1 7 . 1 1 73 73 MET H H 73 7.655 7.655 7.528 0.127 25538 3193 1 7 . 1 1 74 74 VAL N N 74 122.522 122.522 126.335 -3.813 25538 3194 1 7 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.203 -0.280 25538 3195 1 7 . 1 1 74 74 VAL C C 74 174.851 174.851 174.593 0.258 25538 3196 1 7 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.266 0.128 25538 3197 1 7 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.198 0.589 25538 3198 1 7 . 1 1 74 74 VAL H H 74 8.443 8.443 8.725 -0.282 25538 3199 1 7 . 1 1 75 75 TYR N N 75 125.773 125.773 125.474 0.299 25538 3200 1 7 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.058 -0.306 25538 3201 1 7 . 1 1 75 75 TYR C C 75 174.923 174.923 176.457 -1.534 25538 3202 1 7 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.740 1.072 25538 3203 1 7 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.154 0.479 25538 3204 1 7 . 1 1 75 75 TYR H H 75 8.256 8.256 8.921 -0.665 25538 3205 1 7 . 1 1 76 76 CYS N N 76 116.702 116.702 123.583 -6.881 25538 3206 1 7 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.483 0.264 25538 3207 1 7 . 1 1 76 76 CYS C C 76 174.231 174.231 176.512 -2.281 25538 3208 1 7 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.976 -2.873 25538 3209 1 7 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.345 4.245 25538 3210 1 7 . 1 1 76 76 CYS H H 76 8.266 8.266 8.615 -0.349 25538 3211 1 7 . 1 1 77 77 GLY N N 77 111.675 111.675 110.221 1.454 25538 3212 1 7 . 1 1 77 77 GLY C C 77 174.662 174.662 174.900 -0.238 25538 3213 1 7 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.028 0.121 25538 3214 1 7 . 1 1 77 77 GLY H H 77 8.483 8.483 7.727 0.756 25538 3215 1 7 . 1 1 78 78 GLY N N 78 113.022 113.022 108.175 4.847 25538 3216 1 7 . 1 1 78 78 GLY C C 78 172.811 172.811 173.456 -0.645 25538 3217 1 7 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.121 1.631 25538 3218 1 7 . 1 1 78 78 GLY H H 78 8.892 8.892 8.126 0.766 25538 3219 1 7 . 1 1 79 79 ASP N N 79 119.457 119.457 120.999 -1.542 25538 3220 1 7 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.841 0.051 25538 3221 1 7 . 1 1 79 79 ASP C C 79 176.302 176.302 177.191 -0.889 25538 3222 1 7 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.378 -0.331 25538 3223 1 7 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.455 3.816 25538 3224 1 7 . 1 1 79 79 ASP H H 79 7.795 7.795 7.776 0.019 25538 3225 1 7 . 1 1 80 80 LEU N N 80 128.421 128.421 126.901 1.520 25538 3226 1 7 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.158 -0.094 25538 3227 1 7 . 1 1 80 80 LEU C C 80 179.059 179.059 177.930 1.129 25538 3228 1 7 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.977 0.546 25538 3229 1 7 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.271 0.376 25538 3230 1 7 . 1 1 80 80 LEU H H 80 8.549 8.549 8.745 -0.196 25538 3231 1 7 . 1 1 81 81 LEU N N 81 118.678 118.678 119.382 -0.704 25538 3232 1 7 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.106 -0.239 25538 3233 1 7 . 1 1 81 81 LEU C C 81 178.542 178.542 178.269 0.273 25538 3234 1 7 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.032 0.494 25538 3235 1 7 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.501 1.148 25538 3236 1 7 . 1 1 81 81 LEU H H 81 9.974 9.974 8.921 1.053 25538 3237 1 7 . 1 1 82 82 GLY N N 82 105.642 105.642 106.408 -0.766 25538 3238 1 7 . 1 1 82 82 GLY C C 82 176.907 176.907 176.442 0.465 25538 3239 1 7 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.306 0.687 25538 3240 1 7 . 1 1 82 82 GLY H H 82 7.543 7.543 8.037 -0.494 25538 3241 1 7 . 1 1 83 83 GLU N N 83 121.762 121.762 122.552 -0.790 25538 3242 1 7 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.072 -0.090 25538 3243 1 7 . 1 1 83 83 GLU C C 83 179.215 179.215 179.341 -0.126 25538 3244 1 7 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.333 -0.172 25538 3245 1 7 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.490 -0.019 25538 3246 1 7 . 1 1 83 83 GLU H H 83 7.537 7.537 8.298 -0.761 25538 3247 1 7 . 1 1 84 84 LEU N N 84 118.478 118.478 118.443 0.035 25538 3248 1 7 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.097 -0.073 25538 3249 1 7 . 1 1 84 84 LEU C C 84 178.842 178.842 178.680 0.162 25538 3250 1 7 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.101 0.374 25538 3251 1 7 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.884 0.508 25538 3252 1 7 . 1 1 84 84 LEU H H 84 7.717 7.717 8.127 -0.410 25538 3253 1 7 . 1 1 85 85 LEU N N 85 115.268 115.268 114.183 1.085 25538 3254 1 7 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.248 -0.471 25538 3255 1 7 . 1 1 85 85 LEU C C 85 177.773 177.773 178.073 -0.300 25538 3256 1 7 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.331 0.044 25538 3257 1 7 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.750 1.143 25538 3258 1 7 . 1 1 85 85 LEU H H 85 8.091 8.091 7.911 0.180 25538 3259 1 7 . 1 1 86 86 GLY N N 86 107.339 107.339 107.068 0.271 25538 3260 1 7 . 1 1 86 86 GLY C C 86 174.143 174.143 174.028 0.115 25538 3261 1 7 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.926 1.389 25538 3262 1 7 . 1 1 86 86 GLY H H 86 7.993 7.993 8.050 -0.057 25538 3263 1 7 . 1 1 87 87 ARG N N 87 113.292 113.292 119.887 -6.595 25538 3264 1 7 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.623 0.031 25538 3265 1 7 . 1 1 87 87 ARG C C 87 174.720 174.720 175.466 -0.746 25538 3266 1 7 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.108 -0.948 25538 3267 1 7 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.458 1.998 25538 3268 1 7 . 1 1 87 87 ARG H H 87 7.407 7.407 7.495 -0.088 25538 3269 1 7 . 1 1 88 88 GLN N N 88 116.042 116.042 122.315 -6.273 25538 3270 1 7 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.354 -0.308 25538 3271 1 7 . 1 1 88 88 GLN C C 88 175.946 175.946 174.871 1.075 25538 3272 1 7 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.395 -0.220 25538 3273 1 7 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.365 0.425 25538 3274 1 7 . 1 1 88 88 GLN H H 88 8.660 8.660 8.709 -0.049 25538 3275 1 7 . 1 1 89 89 SER N N 89 110.533 110.533 110.373 0.160 25538 3276 1 7 . 1 1 89 89 SER HA H 89 5.431 5.431 4.905 0.526 25538 3277 1 7 . 1 1 89 89 SER C C 89 173.062 173.062 173.055 0.007 25538 3278 1 7 . 1 1 89 89 SER CA C 89 57.019 57.019 56.402 0.617 25538 3279 1 7 . 1 1 89 89 SER CB C 89 66.577 66.577 65.763 0.814 25538 3280 1 7 . 1 1 89 89 SER H H 89 7.620 7.620 7.455 0.165 25538 3281 1 7 . 1 1 90 90 PHE N N 90 115.219 115.219 117.734 -2.515 25538 3282 1 7 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.897 -0.202 25538 3283 1 7 . 1 1 90 90 PHE C C 90 175.233 175.233 172.342 2.891 25538 3284 1 7 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.906 0.189 25538 3285 1 7 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.347 -0.001 25538 3286 1 7 . 1 1 90 90 PHE H H 90 8.557 8.557 7.673 0.884 25538 3287 1 7 . 1 1 91 91 SER N N 91 113.681 113.681 114.134 -0.453 25538 3288 1 7 . 1 1 91 91 SER HA H 91 5.391 5.391 5.193 0.198 25538 3289 1 7 . 1 1 91 91 SER CA C 91 54.564 54.564 54.930 -0.366 25538 3290 1 7 . 1 1 91 91 SER CB C 91 65.366 65.366 65.790 -0.424 25538 3291 1 7 . 1 1 91 91 SER H H 91 9.006 9.006 8.137 0.869 25538 3292 1 7 . 1 1 92 92 VAL N N 92 121.388 121.388 127.486 -6.098 25538 3293 1 7 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.833 0.110 25538 3294 1 7 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.427 -1.232 25538 3295 1 7 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.024 -0.793 25538 3296 1 7 . 1 1 92 92 VAL H H 92 8.983 8.983 9.094 -0.111 25538 3297 1 7 . 1 1 93 93 LYS N N 93 116.161 116.161 118.379 -2.218 25538 3298 1 7 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.321 -0.338 25538 3299 1 7 . 1 1 93 93 LYS C C 93 177.088 177.088 175.892 1.196 25538 3300 1 7 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.743 0.438 25538 3301 1 7 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.290 -1.166 25538 3302 1 7 . 1 1 93 93 LYS H H 93 8.078 8.078 7.749 0.329 25538 3303 1 7 . 1 1 94 94 ASP N N 94 115.406 115.406 119.073 -3.667 25538 3304 1 7 . 1 1 94 94 ASP HA H 94 4.949 4.949 4.984 -0.035 25538 3305 1 7 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.614 -0.057 25538 3306 1 7 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.330 0.115 25538 3307 1 7 . 1 1 94 94 ASP H H 94 7.385 7.385 7.780 -0.395 25538 3308 1 7 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.676 -0.239 25538 3309 1 7 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.394 0.495 25538 3310 1 7 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.673 1.087 25538 3311 1 7 . 1 1 96 96 SER N N 96 118.819 118.819 117.107 1.712 25538 3312 1 7 . 1 1 96 96 SER HA H 96 4.220 4.220 4.301 -0.081 25538 3313 1 7 . 1 1 96 96 SER CA C 96 64.406 64.406 63.432 0.974 25538 3314 1 7 . 1 1 96 96 SER CB C 96 61.862 61.862 61.929 -0.067 25538 3315 1 7 . 1 1 96 96 SER H H 96 8.104 8.104 8.060 0.044 25538 3316 1 7 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.331 0.018 25538 3317 1 7 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.330 0.581 25538 3318 1 7 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.328 0.167 25538 3319 1 7 . 1 1 98 98 LEU N N 98 118.063 118.063 120.562 -2.499 25538 3320 1 7 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.757 -0.154 25538 3321 1 7 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.722 -0.621 25538 3322 1 7 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.504 -0.108 25538 3323 1 7 . 1 1 98 98 LEU H H 98 7.087 7.087 7.287 -0.200 25538 3324 1 7 . 1 1 99 99 TYR N N 99 118.063 118.063 118.704 -0.641 25538 3325 1 7 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.029 0.115 25538 3326 1 7 . 1 1 99 99 TYR C C 99 178.914 178.914 178.093 0.821 25538 3327 1 7 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.376 -1.108 25538 3328 1 7 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.852 -0.885 25538 3329 1 7 . 1 1 99 99 TYR H H 99 7.594 7.594 8.577 -0.983 25538 3330 1 7 . 1 1 100 100 ASP N N 100 119.682 119.682 119.973 -0.291 25538 3331 1 7 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.310 0.016 25538 3332 1 7 . 1 1 100 100 ASP C C 100 177.737 177.737 178.307 -0.570 25538 3333 1 7 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.414 0.461 25538 3334 1 7 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.904 0.184 25538 3335 1 7 . 1 1 100 100 ASP H H 100 8.315 8.315 8.124 0.191 25538 3336 1 7 . 1 1 101 101 MET N N 101 118.784 118.784 118.396 0.388 25538 3337 1 7 . 1 1 101 101 MET HA H 101 3.969 3.969 4.121 -0.152 25538 3338 1 7 . 1 1 101 101 MET C C 101 180.080 180.080 177.935 2.145 25538 3339 1 7 . 1 1 101 101 MET CA C 101 59.420 59.420 58.499 0.921 25538 3340 1 7 . 1 1 101 101 MET CB C 101 31.642 31.642 32.216 -0.574 25538 3341 1 7 . 1 1 101 101 MET H H 101 7.245 7.245 7.895 -0.650 25538 3342 1 7 . 1 1 102 102 LEU N N 102 121.572 121.572 120.585 0.987 25538 3343 1 7 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.818 -0.117 25538 3344 1 7 . 1 1 102 102 LEU C C 102 178.566 178.566 179.346 -0.780 25538 3345 1 7 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.789 0.954 25538 3346 1 7 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.305 0.141 25538 3347 1 7 . 1 1 102 102 LEU H H 102 8.471 8.471 8.365 0.106 25538 3348 1 7 . 1 1 103 103 ARG N N 103 117.180 117.180 115.876 1.304 25538 3349 1 7 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.100 -0.130 25538 3350 1 7 . 1 1 103 103 ARG C C 103 178.818 178.818 177.307 1.511 25538 3351 1 7 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.530 0.973 25538 3352 1 7 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.301 -0.085 25538 3353 1 7 . 1 1 103 103 ARG H H 103 7.933 7.933 8.057 -0.124 25538 3354 1 7 . 1 1 104 104 LYS N N 104 114.206 114.206 115.935 -1.729 25538 3355 1 7 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.377 -0.161 25538 3356 1 7 . 1 1 104 104 LYS C C 104 177.556 177.556 176.442 1.114 25538 3357 1 7 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.699 1.054 25538 3358 1 7 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.683 1.417 25538 3359 1 7 . 1 1 104 104 LYS H H 104 7.171 7.171 7.574 -0.403 25538 3360 1 7 . 1 1 105 105 ASN N N 105 114.097 114.097 117.484 -3.387 25538 3361 1 7 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.781 -0.050 25538 3362 1 7 . 1 1 105 105 ASN C C 105 172.822 172.822 175.430 -2.608 25538 3363 1 7 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.707 0.136 25538 3364 1 7 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.445 0.896 25538 3365 1 7 . 1 1 105 105 ASN H H 105 7.661 7.661 7.769 -0.108 25538 3366 1 7 . 1 1 106 106 LEU N N 106 118.656 118.656 117.958 0.698 25538 3367 1 7 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.824 -0.153 25538 3368 1 7 . 1 1 106 106 LEU C C 106 175.658 175.658 178.612 -2.954 25538 3369 1 7 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.992 0.166 25538 3370 1 7 . 1 1 106 106 LEU CB C 106 43.610 43.610 43.185 0.425 25538 3371 1 7 . 1 1 106 106 LEU H H 106 7.440 7.440 8.243 -0.803 25538 3372 1 7 . 1 1 107 107 VAL N N 107 122.765 122.765 117.797 4.968 25538 3373 1 7 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.165 0.049 25538 3374 1 7 . 1 1 107 107 VAL C C 107 176.054 176.054 175.353 0.701 25538 3375 1 7 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.179 -0.036 25538 3376 1 7 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.388 4.168 25538 3377 1 7 . 1 1 107 107 VAL H H 107 8.158 8.158 8.110 0.048 25538 3378 1 7 . 1 1 108 108 THR N N 108 120.921 120.921 115.304 5.617 25538 3379 1 7 . 1 1 108 108 THR HA H 108 4.332 4.332 3.956 0.376 25538 3380 1 7 . 1 1 108 108 THR C C 108 174.216 174.216 173.945 0.271 25538 3381 1 7 . 1 1 108 108 THR CA C 108 62.726 62.726 63.509 -0.783 25538 3382 1 7 . 1 1 108 108 THR CB C 108 69.777 69.777 67.581 2.196 25538 3383 1 7 . 1 1 108 108 THR H H 108 8.524 8.524 8.050 0.474 25538 3384 1 7 . 1 1 109 109 LEU N N 109 125.518 125.518 121.974 3.544 25538 3385 1 7 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.206 0.149 25538 3386 1 7 . 1 1 109 109 LEU C C 109 176.523 176.523 175.653 0.870 25538 3387 1 7 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.983 0.065 25538 3388 1 7 . 1 1 109 109 LEU CB C 109 42.590 42.590 40.644 1.946 25538 3389 1 7 . 1 1 109 109 LEU H H 109 8.312 8.312 8.173 0.139 25538 3390 1 7 . 1 1 110 110 ALA N N 110 125.099 125.099 126.803 -1.704 25538 3391 1 7 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.841 -0.475 25538 3392 1 7 . 1 1 110 110 ALA C C 110 176.847 176.847 175.957 0.890 25538 3393 1 7 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.795 0.833 25538 3394 1 7 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.718 -2.012 25538 3395 1 7 . 1 1 110 110 ALA H H 110 8.257 8.257 8.162 0.095 25538 3396 1 8 . 1 1 24 24 ILE N N 24 120.669 120.669 122.316 -1.647 25538 3397 1 8 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.940 0.207 25538 3398 1 8 . 1 1 24 24 ILE C C 24 175.650 175.650 176.328 -0.678 25538 3399 1 8 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.480 -1.138 25538 3400 1 8 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.558 1.419 25538 3401 1 8 . 1 1 24 24 ILE H H 24 8.122 8.122 8.572 -0.450 25538 3402 1 8 . 1 1 25 25 ASN N N 25 121.886 121.886 124.797 -2.911 25538 3403 1 8 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.675 0.027 25538 3404 1 8 . 1 1 25 25 ASN C C 25 174.775 174.775 174.546 0.229 25538 3405 1 8 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.524 0.206 25538 3406 1 8 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.398 -0.097 25538 3407 1 8 . 1 1 25 25 ASN H H 25 8.436 8.436 8.997 -0.561 25538 3408 1 8 . 1 1 26 26 GLN N N 26 118.706 118.706 118.354 0.352 25538 3409 1 8 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.556 0.026 25538 3410 1 8 . 1 1 26 26 GLN C C 26 175.291 175.291 173.833 1.458 25538 3411 1 8 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.386 0.254 25538 3412 1 8 . 1 1 26 26 GLN CB C 26 32.218 32.218 30.197 2.021 25538 3413 1 8 . 1 1 26 26 GLN H H 26 8.208 8.208 7.992 0.216 25538 3414 1 8 . 1 1 27 27 VAL N N 27 113.658 113.658 120.330 -6.672 25538 3415 1 8 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.237 0.639 25538 3416 1 8 . 1 1 27 27 VAL C C 27 173.900 173.900 174.238 -0.338 25538 3417 1 8 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.891 -2.775 25538 3418 1 8 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.242 0.772 25538 3419 1 8 . 1 1 27 27 VAL H H 27 9.401 9.401 8.264 1.137 25538 3420 1 8 . 1 1 28 28 ARG N N 28 121.535 121.535 123.352 -1.817 25538 3421 1 8 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.827 0.630 25538 3422 1 8 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.882 -0.311 25538 3423 1 8 . 1 1 28 28 ARG CB C 28 33.652 33.652 31.506 2.147 25538 3424 1 8 . 1 1 28 28 ARG H H 28 8.904 8.904 8.346 0.558 25538 3425 1 8 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.790 0.219 25538 3426 1 8 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.703 0.237 25538 3427 1 8 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.851 -1.597 25538 3428 1 8 . 1 1 30 30 LYS N N 30 121.258 121.258 119.135 2.123 25538 3429 1 8 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.517 -0.316 25538 3430 1 8 . 1 1 30 30 LYS C C 30 177.557 177.557 177.560 -0.003 25538 3431 1 8 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.695 2.690 25538 3432 1 8 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.896 -1.046 25538 3433 1 8 . 1 1 30 30 LYS H H 30 8.477 8.477 8.192 0.285 25538 3434 1 8 . 1 1 31 31 LEU N N 31 121.577 121.577 126.090 -4.513 25538 3435 1 8 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.186 -0.124 25538 3436 1 8 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.648 0.548 25538 3437 1 8 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.253 -0.478 25538 3438 1 8 . 1 1 31 31 LEU H H 31 8.599 8.599 9.014 -0.415 25538 3439 1 8 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.229 -0.092 25538 3440 1 8 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.097 1.388 25538 3441 1 8 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.072 0.514 25538 3442 1 8 . 1 1 33 33 LEU N N 33 113.299 113.299 118.931 -5.632 25538 3443 1 8 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.359 -0.384 25538 3444 1 8 . 1 1 33 33 LEU C C 33 177.726 177.726 177.649 0.077 25538 3445 1 8 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.387 0.753 25538 3446 1 8 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.655 -0.825 25538 3447 1 8 . 1 1 33 33 LEU H H 33 6.610 6.610 7.481 -0.871 25538 3448 1 8 . 1 1 34 34 LEU N N 34 121.730 121.730 122.054 -0.324 25538 3449 1 8 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.800 -0.404 25538 3450 1 8 . 1 1 34 34 LEU C C 34 177.467 177.467 178.288 -0.821 25538 3451 1 8 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.532 -0.271 25538 3452 1 8 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.778 0.058 25538 3453 1 8 . 1 1 34 34 LEU H H 34 8.411 8.411 8.839 -0.428 25538 3454 1 8 . 1 1 35 35 LYS N N 35 114.927 114.927 117.088 -2.161 25538 3455 1 8 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.939 -0.135 25538 3456 1 8 . 1 1 35 35 LYS C C 35 180.207 180.207 179.101 1.106 25538 3457 1 8 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.545 1.595 25538 3458 1 8 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.666 0.903 25538 3459 1 8 . 1 1 35 35 LYS H H 35 7.964 7.964 8.157 -0.193 25538 3460 1 8 . 1 1 36 36 ILE N N 36 119.935 119.935 120.155 -0.220 25538 3461 1 8 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.558 -0.255 25538 3462 1 8 . 1 1 36 36 ILE C C 36 176.418 176.418 177.926 -1.508 25538 3463 1 8 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.921 1.563 25538 3464 1 8 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.399 1.230 25538 3465 1 8 . 1 1 36 36 ILE H H 36 6.739 6.739 7.475 -0.736 25538 3466 1 8 . 1 1 37 37 LEU N N 37 116.682 116.682 120.643 -3.961 25538 3467 1 8 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.442 0.086 25538 3468 1 8 . 1 1 37 37 LEU C C 37 180.263 180.263 179.057 1.206 25538 3469 1 8 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.139 0.086 25538 3470 1 8 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.590 -1.448 25538 3471 1 8 . 1 1 37 37 LEU H H 37 7.633 7.633 7.682 -0.049 25538 3472 1 8 . 1 1 38 38 HIS N N 38 117.463 117.463 117.698 -0.235 25538 3473 1 8 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.184 0.498 25538 3474 1 8 . 1 1 38 38 HIS C C 38 179.936 179.936 177.898 2.038 25538 3475 1 8 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.940 -1.649 25538 3476 1 8 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.862 0.870 25538 3477 1 8 . 1 1 38 38 HIS H H 38 8.932 8.932 8.597 0.335 25538 3478 1 8 . 1 1 39 39 ALA N N 39 124.102 124.102 121.792 2.310 25538 3479 1 8 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.150 0.101 25538 3480 1 8 . 1 1 39 39 ALA C C 39 178.764 178.764 178.616 0.148 25538 3481 1 8 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.135 0.988 25538 3482 1 8 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.589 -0.478 25538 3483 1 8 . 1 1 39 39 ALA H H 39 7.951 7.951 8.093 -0.142 25538 3484 1 8 . 1 1 40 40 ALA N N 40 118.164 118.164 118.875 -0.711 25538 3485 1 8 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.341 0.080 25538 3486 1 8 . 1 1 40 40 ALA C C 40 176.261 176.261 177.704 -1.443 25538 3487 1 8 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.891 -0.754 25538 3488 1 8 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.262 1.851 25538 3489 1 8 . 1 1 40 40 ALA H H 40 7.647 7.647 7.989 -0.342 25538 3490 1 8 . 1 1 41 41 GLY N N 41 103.894 103.894 104.580 -0.686 25538 3491 1 8 . 1 1 41 41 GLY C C 41 174.412 174.412 174.449 -0.037 25538 3492 1 8 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.566 0.288 25538 3493 1 8 . 1 1 41 41 GLY H H 41 7.677 7.677 7.790 -0.113 25538 3494 1 8 . 1 1 42 42 ALA N N 42 123.549 123.549 122.749 0.800 25538 3495 1 8 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.348 -0.718 25538 3496 1 8 . 1 1 42 42 ALA C C 42 175.956 175.956 175.280 0.676 25538 3497 1 8 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.786 0.894 25538 3498 1 8 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.004 -0.771 25538 3499 1 8 . 1 1 42 42 ALA H H 42 7.559 7.559 7.638 -0.079 25538 3500 1 8 . 1 1 43 43 GLN N N 43 117.516 117.516 117.078 0.438 25538 3501 1 8 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.572 0.806 25538 3502 1 8 . 1 1 43 43 GLN C C 43 175.528 175.528 175.114 0.414 25538 3503 1 8 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.538 -0.919 25538 3504 1 8 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.895 1.301 25538 3505 1 8 . 1 1 43 43 GLN H H 43 8.531 8.531 8.209 0.322 25538 3506 1 8 . 1 1 44 44 GLY N N 44 108.084 108.084 114.682 -6.598 25538 3507 1 8 . 1 1 44 44 GLY C C 44 174.073 174.073 174.463 -0.390 25538 3508 1 8 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.843 -0.220 25538 3509 1 8 . 1 1 44 44 GLY H H 44 8.535 8.535 8.309 0.226 25538 3510 1 8 . 1 1 45 45 GLU N N 45 114.485 114.485 122.916 -8.431 25538 3511 1 8 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.919 0.691 25538 3512 1 8 . 1 1 45 45 GLU C C 45 174.007 174.007 174.497 -0.490 25538 3513 1 8 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.442 1.408 25538 3514 1 8 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.139 4.896 25538 3515 1 8 . 1 1 45 45 GLU H H 45 8.293 8.293 8.679 -0.386 25538 3516 1 8 . 1 1 46 46 MET N N 46 115.370 115.370 119.171 -3.801 25538 3517 1 8 . 1 1 46 46 MET HA H 46 5.047 5.047 4.410 0.637 25538 3518 1 8 . 1 1 46 46 MET C C 46 174.637 174.637 173.672 0.965 25538 3519 1 8 . 1 1 46 46 MET CA C 46 54.239 54.239 54.813 -0.574 25538 3520 1 8 . 1 1 46 46 MET CB C 46 35.727 35.727 34.710 1.017 25538 3521 1 8 . 1 1 46 46 MET H H 46 6.871 6.871 6.825 0.046 25538 3522 1 8 . 1 1 47 47 PHE N N 47 118.922 118.922 120.178 -1.256 25538 3523 1 8 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.930 0.174 25538 3524 1 8 . 1 1 47 47 PHE C C 47 175.742 175.742 174.427 1.315 25538 3525 1 8 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.054 2.311 25538 3526 1 8 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.660 6.221 25538 3527 1 8 . 1 1 47 47 PHE H H 47 8.611 8.611 7.894 0.717 25538 3528 1 8 . 1 1 48 48 THR N N 48 110.603 110.603 112.524 -1.921 25538 3529 1 8 . 1 1 48 48 THR HA H 48 4.982 4.982 4.448 0.534 25538 3530 1 8 . 1 1 48 48 THR C C 48 176.666 176.666 176.053 0.613 25538 3531 1 8 . 1 1 48 48 THR CA C 48 61.021 61.021 59.794 1.228 25538 3532 1 8 . 1 1 48 48 THR CB C 48 71.136 71.136 70.884 0.252 25538 3533 1 8 . 1 1 48 48 THR H H 48 9.113 9.113 8.048 1.065 25538 3534 1 8 . 1 1 49 49 VAL N N 49 121.595 121.595 122.013 -0.418 25538 3535 1 8 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.686 -0.293 25538 3536 1 8 . 1 1 49 49 VAL C C 49 177.726 177.726 177.472 0.254 25538 3537 1 8 . 1 1 49 49 VAL CA C 49 68.209 68.209 65.925 2.284 25538 3538 1 8 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.740 -0.379 25538 3539 1 8 . 1 1 49 49 VAL H H 49 9.074 9.074 8.924 0.150 25538 3540 1 8 . 1 1 50 50 LYS N N 50 118.504 118.504 118.249 0.255 25538 3541 1 8 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.983 -0.024 25538 3542 1 8 . 1 1 50 50 LYS C C 50 180.060 180.060 178.911 1.149 25538 3543 1 8 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.975 -0.055 25538 3544 1 8 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.811 0.996 25538 3545 1 8 . 1 1 50 50 LYS H H 50 8.131 8.131 8.407 -0.276 25538 3546 1 8 . 1 1 51 51 GLU N N 51 119.547 119.547 119.128 0.419 25538 3547 1 8 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.208 -0.170 25538 3548 1 8 . 1 1 51 51 GLU C C 51 178.583 178.583 178.864 -0.281 25538 3549 1 8 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.411 1.445 25538 3550 1 8 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.742 1.660 25538 3551 1 8 . 1 1 51 51 GLU H H 51 7.882 7.882 7.863 0.019 25538 3552 1 8 . 1 1 52 52 VAL N N 52 119.078 119.078 121.600 -2.522 25538 3553 1 8 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.586 -0.332 25538 3554 1 8 . 1 1 52 52 VAL C C 52 177.546 177.546 178.477 -0.931 25538 3555 1 8 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.879 0.981 25538 3556 1 8 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.697 -0.466 25538 3557 1 8 . 1 1 52 52 VAL H H 52 8.258 8.258 8.704 -0.446 25538 3558 1 8 . 1 1 53 53 MET N N 53 114.606 114.606 116.543 -1.937 25538 3559 1 8 . 1 1 53 53 MET HA H 53 4.231 4.231 4.136 0.095 25538 3560 1 8 . 1 1 53 53 MET C C 53 178.640 178.640 178.445 0.195 25538 3561 1 8 . 1 1 53 53 MET CA C 53 57.902 57.902 56.968 0.934 25538 3562 1 8 . 1 1 53 53 MET CB C 53 32.640 32.640 30.777 1.863 25538 3563 1 8 . 1 1 53 53 MET H H 53 8.201 8.201 8.481 -0.280 25538 3564 1 8 . 1 1 54 54 HIS N N 54 118.707 118.707 121.146 -2.439 25538 3565 1 8 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.098 0.048 25538 3566 1 8 . 1 1 54 54 HIS C C 54 178.531 178.531 177.341 1.190 25538 3567 1 8 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.775 -0.763 25538 3568 1 8 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.621 0.539 25538 3569 1 8 . 1 1 54 54 HIS H H 54 8.122 8.122 7.648 0.474 25538 3570 1 8 . 1 1 55 55 TYR N N 55 116.875 116.875 118.130 -1.255 25538 3571 1 8 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.033 -0.165 25538 3572 1 8 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.572 2.165 25538 3573 1 8 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.595 1.439 25538 3574 1 8 . 1 1 55 55 TYR H H 55 8.480 8.480 8.327 0.153 25538 3575 1 8 . 1 1 56 56 LEU N N 56 120.976 120.976 119.829 1.147 25538 3576 1 8 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.856 -0.025 25538 3577 1 8 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.827 0.536 25538 3578 1 8 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.521 0.871 25538 3579 1 8 . 1 1 56 56 LEU H H 56 8.452 8.452 8.440 0.012 25538 3580 1 8 . 1 1 57 57 GLY N N 57 105.050 105.050 106.629 -1.579 25538 3581 1 8 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.202 -0.056 25538 3582 1 8 . 1 1 57 57 GLY H H 57 7.710 7.710 8.550 -0.840 25538 3583 1 8 . 1 1 58 58 GLN N N 58 119.017 119.017 121.828 -2.811 25538 3584 1 8 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.937 -0.110 25538 3585 1 8 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.363 0.315 25538 3586 1 8 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.104 0.771 25538 3587 1 8 . 1 1 58 58 GLN H H 58 7.649 7.649 8.255 -0.606 25538 3588 1 8 . 1 1 59 59 TYR N N 59 120.995 120.995 122.350 -1.355 25538 3589 1 8 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.193 -0.389 25538 3590 1 8 . 1 1 59 59 TYR C C 59 176.215 176.215 177.336 -1.121 25538 3591 1 8 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.123 0.442 25538 3592 1 8 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.718 -0.114 25538 3593 1 8 . 1 1 59 59 TYR H H 59 8.500 8.500 8.222 0.278 25538 3594 1 8 . 1 1 60 60 ILE N N 60 116.781 116.781 120.184 -3.403 25538 3595 1 8 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.590 -0.315 25538 3596 1 8 . 1 1 60 60 ILE C C 60 177.952 177.952 178.232 -0.280 25538 3597 1 8 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.888 -0.217 25538 3598 1 8 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.877 0.681 25538 3599 1 8 . 1 1 60 60 ILE H H 60 7.612 7.612 8.427 -0.815 25538 3600 1 8 . 1 1 61 61 MET N N 61 115.626 115.626 118.449 -2.823 25538 3601 1 8 . 1 1 61 61 MET HA H 61 4.529 4.529 4.200 0.329 25538 3602 1 8 . 1 1 61 61 MET C C 61 180.579 180.579 178.578 2.001 25538 3603 1 8 . 1 1 61 61 MET CA C 61 57.662 57.662 58.482 -0.820 25538 3604 1 8 . 1 1 61 61 MET CB C 61 31.449 31.449 32.081 -0.632 25538 3605 1 8 . 1 1 61 61 MET H H 61 7.717 7.717 8.026 -0.309 25538 3606 1 8 . 1 1 62 62 VAL N N 62 120.907 120.907 118.752 2.155 25538 3607 1 8 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.711 0.118 25538 3608 1 8 . 1 1 62 62 VAL C C 62 178.786 178.786 177.923 0.863 25538 3609 1 8 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.316 0.685 25538 3610 1 8 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.891 0.092 25538 3611 1 8 . 1 1 62 62 VAL H H 62 9.021 9.021 8.073 0.948 25538 3612 1 8 . 1 1 63 63 LYS N N 63 116.704 116.704 118.301 -1.597 25538 3613 1 8 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.152 -0.095 25538 3614 1 8 . 1 1 63 63 LYS C C 63 174.784 174.784 175.890 -1.106 25538 3615 1 8 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.686 0.397 25538 3616 1 8 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.361 -1.029 25538 3617 1 8 . 1 1 63 63 LYS H H 63 7.824 7.824 8.036 -0.212 25538 3618 1 8 . 1 1 64 64 GLN N N 64 115.371 115.371 113.639 1.732 25538 3619 1 8 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.127 -0.506 25538 3620 1 8 . 1 1 64 64 GLN C C 64 175.550 175.550 175.635 -0.085 25538 3621 1 8 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.260 0.719 25538 3622 1 8 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.878 0.370 25538 3623 1 8 . 1 1 64 64 GLN H H 64 7.653 7.653 8.141 -0.488 25538 3624 1 8 . 1 1 65 65 LEU N N 65 115.332 115.332 121.092 -5.760 25538 3625 1 8 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.581 -0.146 25538 3626 1 8 . 1 1 65 65 LEU C C 65 175.979 175.979 175.524 0.455 25538 3627 1 8 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.855 0.746 25538 3628 1 8 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.464 1.472 25538 3629 1 8 . 1 1 65 65 LEU H H 65 8.059 8.059 8.226 -0.167 25538 3630 1 8 . 1 1 66 66 TYR N N 66 113.240 113.240 114.793 -1.553 25538 3631 1 8 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.084 0.176 25538 3632 1 8 . 1 1 66 66 TYR C C 66 174.107 174.107 173.849 0.258 25538 3633 1 8 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.074 -0.400 25538 3634 1 8 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.834 -1.075 25538 3635 1 8 . 1 1 66 66 TYR H H 66 6.845 6.845 7.263 -0.418 25538 3636 1 8 . 1 1 67 67 ASP N N 67 122.255 122.255 121.165 1.090 25538 3637 1 8 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.824 -0.389 25538 3638 1 8 . 1 1 67 67 ASP C C 67 176.779 176.779 176.977 -0.198 25538 3639 1 8 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.227 0.559 25538 3640 1 8 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.755 -0.397 25538 3641 1 8 . 1 1 67 67 ASP H H 67 8.341 8.341 8.228 0.113 25538 3642 1 8 . 1 1 68 68 GLN N N 68 123.090 123.090 123.705 -0.615 25538 3643 1 8 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.170 -0.289 25538 3644 1 8 . 1 1 68 68 GLN C C 68 177.122 177.122 176.631 0.491 25538 3645 1 8 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.064 0.825 25538 3646 1 8 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.617 0.448 25538 3647 1 8 . 1 1 68 68 GLN H H 68 8.552 8.552 8.690 -0.138 25538 3648 1 8 . 1 1 69 69 GLN N N 69 115.295 115.295 119.224 -3.929 25538 3649 1 8 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.468 -0.129 25538 3650 1 8 . 1 1 69 69 GLN C C 69 176.272 176.272 176.755 -0.483 25538 3651 1 8 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.459 0.476 25538 3652 1 8 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.585 -0.669 25538 3653 1 8 . 1 1 69 69 GLN H H 69 8.347 8.347 8.525 -0.178 25538 3654 1 8 . 1 1 70 70 GLU N N 70 122.341 122.341 122.351 -0.010 25538 3655 1 8 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.620 -0.129 25538 3656 1 8 . 1 1 70 70 GLU C C 70 175.832 175.832 176.372 -0.540 25538 3657 1 8 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.256 -0.170 25538 3658 1 8 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.442 1.096 25538 3659 1 8 . 1 1 70 70 GLU H H 70 8.237 8.237 8.749 -0.512 25538 3660 1 8 . 1 1 71 71 GLN N N 71 119.185 119.185 119.115 0.070 25538 3661 1 8 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.346 0.155 25538 3662 1 8 . 1 1 71 71 GLN C C 71 173.848 173.848 176.208 -2.360 25538 3663 1 8 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.937 1.863 25538 3664 1 8 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.955 -0.773 25538 3665 1 8 . 1 1 71 71 GLN H H 71 8.206 8.206 7.849 0.357 25538 3666 1 8 . 1 1 72 72 HIS N N 72 109.549 109.549 111.569 -2.020 25538 3667 1 8 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.500 -0.320 25538 3668 1 8 . 1 1 72 72 HIS C C 72 175.790 175.790 174.135 1.655 25538 3669 1 8 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.561 0.720 25538 3670 1 8 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.848 1.227 25538 3671 1 8 . 1 1 72 72 HIS H H 72 7.383 7.383 8.128 -0.745 25538 3672 1 8 . 1 1 73 73 MET N N 73 119.174 119.174 120.819 -1.645 25538 3673 1 8 . 1 1 73 73 MET HA H 73 4.570 4.570 4.607 -0.037 25538 3674 1 8 . 1 1 73 73 MET C C 73 174.242 174.242 173.864 0.378 25538 3675 1 8 . 1 1 73 73 MET CA C 73 53.027 53.027 53.830 -0.803 25538 3676 1 8 . 1 1 73 73 MET CB C 73 31.709 31.709 34.251 -2.542 25538 3677 1 8 . 1 1 73 73 MET H H 73 7.655 7.655 7.425 0.230 25538 3678 1 8 . 1 1 74 74 VAL N N 74 122.522 122.522 126.134 -3.612 25538 3679 1 8 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.203 -0.280 25538 3680 1 8 . 1 1 74 74 VAL C C 74 174.851 174.851 174.494 0.357 25538 3681 1 8 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.247 0.147 25538 3682 1 8 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.303 0.484 25538 3683 1 8 . 1 1 74 74 VAL H H 74 8.443 8.443 8.648 -0.205 25538 3684 1 8 . 1 1 75 75 TYR N N 75 125.773 125.773 124.737 1.036 25538 3685 1 8 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.107 -0.355 25538 3686 1 8 . 1 1 75 75 TYR C C 75 174.923 174.923 176.678 -1.755 25538 3687 1 8 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.612 1.200 25538 3688 1 8 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.540 0.093 25538 3689 1 8 . 1 1 75 75 TYR H H 75 8.256 8.256 8.970 -0.714 25538 3690 1 8 . 1 1 76 76 CYS N N 76 116.702 116.702 123.598 -6.896 25538 3691 1 8 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.441 0.306 25538 3692 1 8 . 1 1 76 76 CYS C C 76 174.231 174.231 176.620 -2.389 25538 3693 1 8 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.628 -3.525 25538 3694 1 8 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.673 3.916 25538 3695 1 8 . 1 1 76 76 CYS H H 76 8.266 8.266 8.648 -0.382 25538 3696 1 8 . 1 1 77 77 GLY N N 77 111.675 111.675 111.219 0.456 25538 3697 1 8 . 1 1 77 77 GLY C C 77 174.662 174.662 174.811 -0.149 25538 3698 1 8 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.154 -0.005 25538 3699 1 8 . 1 1 77 77 GLY H H 77 8.483 8.483 7.950 0.533 25538 3700 1 8 . 1 1 78 78 GLY N N 78 113.022 113.022 107.466 5.556 25538 3701 1 8 . 1 1 78 78 GLY C C 78 172.811 172.811 173.204 -0.393 25538 3702 1 8 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.547 1.205 25538 3703 1 8 . 1 1 78 78 GLY H H 78 8.892 8.892 8.148 0.744 25538 3704 1 8 . 1 1 79 79 ASP N N 79 119.457 119.457 120.981 -1.524 25538 3705 1 8 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.817 0.075 25538 3706 1 8 . 1 1 79 79 ASP C C 79 176.302 176.302 177.113 -0.811 25538 3707 1 8 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.407 -0.360 25538 3708 1 8 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.761 3.510 25538 3709 1 8 . 1 1 79 79 ASP H H 79 7.795 7.795 7.808 -0.013 25538 3710 1 8 . 1 1 80 80 LEU N N 80 128.421 128.421 127.060 1.361 25538 3711 1 8 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.138 -0.074 25538 3712 1 8 . 1 1 80 80 LEU C C 80 179.059 179.059 177.891 1.168 25538 3713 1 8 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.807 0.716 25538 3714 1 8 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.247 0.400 25538 3715 1 8 . 1 1 80 80 LEU H H 80 8.549 8.549 8.780 -0.231 25538 3716 1 8 . 1 1 81 81 LEU N N 81 118.678 118.678 120.138 -1.460 25538 3717 1 8 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.068 -0.201 25538 3718 1 8 . 1 1 81 81 LEU C C 81 178.542 178.542 178.537 0.005 25538 3719 1 8 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.153 0.373 25538 3720 1 8 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.343 1.306 25538 3721 1 8 . 1 1 81 81 LEU H H 81 9.974 9.974 9.057 0.917 25538 3722 1 8 . 1 1 82 82 GLY N N 82 105.642 105.642 106.016 -0.374 25538 3723 1 8 . 1 1 82 82 GLY C C 82 176.907 176.907 176.482 0.425 25538 3724 1 8 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.195 0.798 25538 3725 1 8 . 1 1 82 82 GLY H H 82 7.543 7.543 7.719 -0.176 25538 3726 1 8 . 1 1 83 83 GLU N N 83 121.762 121.762 122.377 -0.615 25538 3727 1 8 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.081 -0.099 25538 3728 1 8 . 1 1 83 83 GLU C C 83 179.215 179.215 179.323 -0.108 25538 3729 1 8 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.454 -0.293 25538 3730 1 8 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.422 0.049 25538 3731 1 8 . 1 1 83 83 GLU H H 83 7.537 7.537 8.152 -0.615 25538 3732 1 8 . 1 1 84 84 LEU N N 84 118.478 118.478 118.341 0.137 25538 3733 1 8 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.101 -0.077 25538 3734 1 8 . 1 1 84 84 LEU C C 84 178.842 178.842 178.822 0.020 25538 3735 1 8 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.048 0.427 25538 3736 1 8 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.715 0.677 25538 3737 1 8 . 1 1 84 84 LEU H H 84 7.717 7.717 8.146 -0.429 25538 3738 1 8 . 1 1 85 85 LEU N N 85 115.268 115.268 113.196 2.072 25538 3739 1 8 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.224 -0.447 25538 3740 1 8 . 1 1 85 85 LEU C C 85 177.773 177.773 177.953 -0.180 25538 3741 1 8 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.272 0.103 25538 3742 1 8 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.432 1.460 25538 3743 1 8 . 1 1 85 85 LEU H H 85 8.091 8.091 7.964 0.127 25538 3744 1 8 . 1 1 86 86 GLY N N 86 107.339 107.339 107.019 0.320 25538 3745 1 8 . 1 1 86 86 GLY C C 86 174.143 174.143 174.454 -0.311 25538 3746 1 8 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.119 1.196 25538 3747 1 8 . 1 1 86 86 GLY H H 86 7.993 7.993 8.085 -0.092 25538 3748 1 8 . 1 1 87 87 ARG N N 87 113.292 113.292 120.400 -7.108 25538 3749 1 8 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.609 0.045 25538 3750 1 8 . 1 1 87 87 ARG C C 87 174.720 174.720 175.574 -0.854 25538 3751 1 8 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.861 -0.701 25538 3752 1 8 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.143 2.313 25538 3753 1 8 . 1 1 87 87 ARG H H 87 7.407 7.407 7.573 -0.166 25538 3754 1 8 . 1 1 88 88 GLN N N 88 116.042 116.042 121.769 -5.727 25538 3755 1 8 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.320 -0.274 25538 3756 1 8 . 1 1 88 88 GLN C C 88 175.946 175.946 174.855 1.091 25538 3757 1 8 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.389 -0.214 25538 3758 1 8 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.270 0.520 25538 3759 1 8 . 1 1 88 88 GLN H H 88 8.660 8.660 8.734 -0.074 25538 3760 1 8 . 1 1 89 89 SER N N 89 110.533 110.533 110.170 0.363 25538 3761 1 8 . 1 1 89 89 SER HA H 89 5.431 5.431 4.927 0.504 25538 3762 1 8 . 1 1 89 89 SER C C 89 173.062 173.062 173.255 -0.193 25538 3763 1 8 . 1 1 89 89 SER CA C 89 57.019 57.019 55.930 1.089 25538 3764 1 8 . 1 1 89 89 SER CB C 89 66.577 66.577 65.911 0.666 25538 3765 1 8 . 1 1 89 89 SER H H 89 7.620 7.620 7.422 0.198 25538 3766 1 8 . 1 1 90 90 PHE N N 90 115.219 115.219 118.633 -3.414 25538 3767 1 8 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.881 -0.186 25538 3768 1 8 . 1 1 90 90 PHE C C 90 175.233 175.233 172.774 2.459 25538 3769 1 8 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.885 0.210 25538 3770 1 8 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.527 -0.181 25538 3771 1 8 . 1 1 90 90 PHE H H 90 8.557 8.557 7.925 0.632 25538 3772 1 8 . 1 1 91 91 SER N N 91 113.681 113.681 114.547 -0.866 25538 3773 1 8 . 1 1 91 91 SER HA H 91 5.391 5.391 5.100 0.291 25538 3774 1 8 . 1 1 91 91 SER CA C 91 54.564 54.564 54.662 -0.098 25538 3775 1 8 . 1 1 91 91 SER CB C 91 65.366 65.366 65.663 -0.297 25538 3776 1 8 . 1 1 91 91 SER H H 91 9.006 9.006 8.180 0.826 25538 3777 1 8 . 1 1 92 92 VAL N N 92 121.388 121.388 125.379 -3.991 25538 3778 1 8 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.905 0.038 25538 3779 1 8 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.384 -1.189 25538 3780 1 8 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.386 -0.154 25538 3781 1 8 . 1 1 92 92 VAL H H 92 8.983 8.983 8.974 0.009 25538 3782 1 8 . 1 1 93 93 LYS N N 93 116.161 116.161 117.119 -0.958 25538 3783 1 8 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.391 -0.408 25538 3784 1 8 . 1 1 93 93 LYS C C 93 177.088 177.088 176.209 0.879 25538 3785 1 8 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.671 0.510 25538 3786 1 8 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.764 -0.640 25538 3787 1 8 . 1 1 93 93 LYS H H 93 8.078 8.078 7.598 0.480 25538 3788 1 8 . 1 1 94 94 ASP N N 94 115.406 115.406 118.867 -3.461 25538 3789 1 8 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.083 -0.134 25538 3790 1 8 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.869 -0.312 25538 3791 1 8 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.821 -0.376 25538 3792 1 8 . 1 1 94 94 ASP H H 94 7.385 7.385 7.890 -0.505 25538 3793 1 8 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.787 -0.350 25538 3794 1 8 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.453 0.436 25538 3795 1 8 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.520 0.240 25538 3796 1 8 . 1 1 96 96 SER N N 96 118.819 118.819 117.463 1.356 25538 3797 1 8 . 1 1 96 96 SER HA H 96 4.220 4.220 4.228 -0.008 25538 3798 1 8 . 1 1 96 96 SER CA C 96 64.406 64.406 64.011 0.395 25538 3799 1 8 . 1 1 96 96 SER CB C 96 61.862 61.862 61.126 0.736 25538 3800 1 8 . 1 1 96 96 SER H H 96 8.104 8.104 8.664 -0.560 25538 3801 1 8 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.357 -0.008 25538 3802 1 8 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.126 0.785 25538 3803 1 8 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.380 0.116 25538 3804 1 8 . 1 1 98 98 LEU N N 98 118.063 118.063 120.823 -2.760 25538 3805 1 8 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.821 -0.218 25538 3806 1 8 . 1 1 98 98 LEU CA C 98 57.101 57.101 58.000 -0.899 25538 3807 1 8 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.702 -0.306 25538 3808 1 8 . 1 1 98 98 LEU H H 98 7.087 7.087 7.599 -0.512 25538 3809 1 8 . 1 1 99 99 TYR N N 99 118.063 118.063 118.508 -0.445 25538 3810 1 8 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.007 0.137 25538 3811 1 8 . 1 1 99 99 TYR C C 99 178.914 178.914 177.945 0.969 25538 3812 1 8 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.573 -1.305 25538 3813 1 8 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.943 -0.975 25538 3814 1 8 . 1 1 99 99 TYR H H 99 7.594 7.594 7.829 -0.235 25538 3815 1 8 . 1 1 100 100 ASP N N 100 119.682 119.682 120.051 -0.369 25538 3816 1 8 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.313 0.013 25538 3817 1 8 . 1 1 100 100 ASP C C 100 177.737 177.737 178.308 -0.571 25538 3818 1 8 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.398 0.477 25538 3819 1 8 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.889 0.200 25538 3820 1 8 . 1 1 100 100 ASP H H 100 8.315 8.315 8.294 0.021 25538 3821 1 8 . 1 1 101 101 MET N N 101 118.784 118.784 117.824 0.960 25538 3822 1 8 . 1 1 101 101 MET HA H 101 3.969 3.969 4.060 -0.091 25538 3823 1 8 . 1 1 101 101 MET C C 101 180.080 180.080 178.052 2.028 25538 3824 1 8 . 1 1 101 101 MET CA C 101 59.420 59.420 58.979 0.441 25538 3825 1 8 . 1 1 101 101 MET CB C 101 31.642 31.642 32.428 -0.787 25538 3826 1 8 . 1 1 101 101 MET H H 101 7.245 7.245 7.819 -0.574 25538 3827 1 8 . 1 1 102 102 LEU N N 102 121.572 121.572 120.344 1.228 25538 3828 1 8 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.839 -0.138 25538 3829 1 8 . 1 1 102 102 LEU C C 102 178.566 178.566 179.376 -0.810 25538 3830 1 8 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.482 1.261 25538 3831 1 8 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.335 0.111 25538 3832 1 8 . 1 1 102 102 LEU H H 102 8.471 8.471 8.146 0.325 25538 3833 1 8 . 1 1 103 103 ARG N N 103 117.180 117.180 116.333 0.847 25538 3834 1 8 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.068 -0.098 25538 3835 1 8 . 1 1 103 103 ARG C C 103 178.818 178.818 177.940 0.878 25538 3836 1 8 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.073 0.430 25538 3837 1 8 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.157 0.059 25538 3838 1 8 . 1 1 103 103 ARG H H 103 7.933 7.933 8.224 -0.291 25538 3839 1 8 . 1 1 104 104 LYS N N 104 114.206 114.206 115.871 -1.665 25538 3840 1 8 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.387 -0.171 25538 3841 1 8 . 1 1 104 104 LYS C C 104 177.556 177.556 176.188 1.368 25538 3842 1 8 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.019 0.734 25538 3843 1 8 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.980 1.120 25538 3844 1 8 . 1 1 104 104 LYS H H 104 7.171 7.171 7.630 -0.459 25538 3845 1 8 . 1 1 105 105 ASN N N 105 114.097 114.097 118.108 -4.011 25538 3846 1 8 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.833 -0.102 25538 3847 1 8 . 1 1 105 105 ASN C C 105 172.822 172.822 175.678 -2.856 25538 3848 1 8 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.568 0.275 25538 3849 1 8 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.038 1.303 25538 3850 1 8 . 1 1 105 105 ASN H H 105 7.661 7.661 7.751 -0.090 25538 3851 1 8 . 1 1 106 106 LEU N N 106 118.656 118.656 120.064 -1.408 25538 3852 1 8 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.422 0.249 25538 3853 1 8 . 1 1 106 106 LEU C C 106 175.658 175.658 178.760 -3.102 25538 3854 1 8 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.384 -1.226 25538 3855 1 8 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.584 1.026 25538 3856 1 8 . 1 1 106 106 LEU H H 106 7.440 7.440 8.226 -0.786 25538 3857 1 8 . 1 1 107 107 VAL N N 107 122.765 122.765 118.837 3.928 25538 3858 1 8 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.137 0.077 25538 3859 1 8 . 1 1 107 107 VAL C C 107 176.054 176.054 175.422 0.632 25538 3860 1 8 . 1 1 107 107 VAL CA C 107 62.143 62.143 61.899 0.244 25538 3861 1 8 . 1 1 107 107 VAL CB C 107 33.556 33.556 28.970 4.586 25538 3862 1 8 . 1 1 107 107 VAL H H 107 8.158 8.158 8.066 0.092 25538 3863 1 8 . 1 1 108 108 THR N N 108 120.921 120.921 114.398 6.523 25538 3864 1 8 . 1 1 108 108 THR HA H 108 4.332 4.332 3.895 0.437 25538 3865 1 8 . 1 1 108 108 THR C C 108 174.216 174.216 173.553 0.663 25538 3866 1 8 . 1 1 108 108 THR CA C 108 62.726 62.726 63.238 -0.512 25538 3867 1 8 . 1 1 108 108 THR CB C 108 69.777 69.777 67.496 2.281 25538 3868 1 8 . 1 1 108 108 THR H H 108 8.524 8.524 8.132 0.392 25538 3869 1 8 . 1 1 109 109 LEU N N 109 125.518 125.518 122.933 2.585 25538 3870 1 8 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.285 0.070 25538 3871 1 8 . 1 1 109 109 LEU C C 109 176.523 176.523 175.915 0.608 25538 3872 1 8 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.530 0.517 25538 3873 1 8 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.126 1.464 25538 3874 1 8 . 1 1 109 109 LEU H H 109 8.312 8.312 8.248 0.064 25538 3875 1 8 . 1 1 110 110 ALA N N 110 125.099 125.099 127.608 -2.509 25538 3876 1 8 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.759 -0.393 25538 3877 1 8 . 1 1 110 110 ALA C C 110 176.847 176.847 175.773 1.074 25538 3878 1 8 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.518 1.110 25538 3879 1 8 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.965 -1.259 25538 3880 1 8 . 1 1 110 110 ALA H H 110 8.257 8.257 8.057 0.200 25538 3881 1 9 . 1 1 24 24 ILE N N 24 120.669 120.669 121.563 -0.894 25538 3882 1 9 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.540 -0.393 25538 3883 1 9 . 1 1 24 24 ILE C C 24 175.650 175.650 175.460 0.190 25538 3884 1 9 . 1 1 24 24 ILE CA C 24 61.342 61.342 60.592 0.750 25538 3885 1 9 . 1 1 24 24 ILE CB C 24 38.977 38.977 39.423 -0.446 25538 3886 1 9 . 1 1 24 24 ILE H H 24 8.122 8.122 7.987 0.135 25538 3887 1 9 . 1 1 25 25 ASN N N 25 121.886 121.886 125.416 -3.530 25538 3888 1 9 . 1 1 25 25 ASN HA H 25 4.702 4.702 5.062 -0.360 25538 3889 1 9 . 1 1 25 25 ASN C C 25 174.775 174.775 174.013 0.762 25538 3890 1 9 . 1 1 25 25 ASN CA C 25 53.730 53.730 51.845 1.885 25538 3891 1 9 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.647 -1.346 25538 3892 1 9 . 1 1 25 25 ASN H H 25 8.436 8.436 8.315 0.121 25538 3893 1 9 . 1 1 26 26 GLN N N 26 118.706 118.706 119.237 -0.531 25538 3894 1 9 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.216 0.366 25538 3895 1 9 . 1 1 26 26 GLN C C 26 175.291 175.291 174.546 0.745 25538 3896 1 9 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.371 -0.731 25538 3897 1 9 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.154 3.064 25538 3898 1 9 . 1 1 26 26 GLN H H 26 8.208 8.208 8.465 -0.257 25538 3899 1 9 . 1 1 27 27 VAL N N 27 113.658 113.658 122.610 -8.952 25538 3900 1 9 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.242 0.634 25538 3901 1 9 . 1 1 27 27 VAL C C 27 173.900 173.900 174.240 -0.340 25538 3902 1 9 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.851 -1.735 25538 3903 1 9 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.078 0.936 25538 3904 1 9 . 1 1 27 27 VAL H H 27 9.401 9.401 8.158 1.243 25538 3905 1 9 . 1 1 28 28 ARG N N 28 121.535 121.535 123.849 -2.314 25538 3906 1 9 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.804 0.653 25538 3907 1 9 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.644 -1.073 25538 3908 1 9 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.773 0.880 25538 3909 1 9 . 1 1 28 28 ARG H H 28 8.904 8.904 8.587 0.317 25538 3910 1 9 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.991 0.018 25538 3911 1 9 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.976 -0.036 25538 3912 1 9 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.708 -1.454 25538 3913 1 9 . 1 1 30 30 LYS N N 30 121.258 121.258 120.664 0.594 25538 3914 1 9 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.434 -0.233 25538 3915 1 9 . 1 1 30 30 LYS C C 30 177.557 177.557 178.248 -0.691 25538 3916 1 9 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.128 2.257 25538 3917 1 9 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.381 -0.531 25538 3918 1 9 . 1 1 30 30 LYS H H 30 8.477 8.477 8.613 -0.136 25538 3919 1 9 . 1 1 31 31 LEU N N 31 121.577 121.577 127.091 -5.514 25538 3920 1 9 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.142 -0.080 25538 3921 1 9 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.209 0.987 25538 3922 1 9 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.993 -0.218 25538 3923 1 9 . 1 1 31 31 LEU H H 31 8.599 8.599 8.930 -0.331 25538 3924 1 9 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.232 -0.095 25538 3925 1 9 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.077 1.408 25538 3926 1 9 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.969 0.617 25538 3927 1 9 . 1 1 33 33 LEU N N 33 113.299 113.299 118.193 -4.894 25538 3928 1 9 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.444 -0.469 25538 3929 1 9 . 1 1 33 33 LEU C C 33 177.726 177.726 178.064 -0.338 25538 3930 1 9 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.283 0.857 25538 3931 1 9 . 1 1 33 33 LEU CB C 33 41.830 41.830 43.316 -1.486 25538 3932 1 9 . 1 1 33 33 LEU H H 33 6.610 6.610 7.633 -1.023 25538 3933 1 9 . 1 1 34 34 LEU N N 34 121.730 121.730 122.378 -0.648 25538 3934 1 9 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.852 -0.456 25538 3935 1 9 . 1 1 34 34 LEU C C 34 177.467 177.467 178.376 -0.909 25538 3936 1 9 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.769 -0.508 25538 3937 1 9 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.236 0.600 25538 3938 1 9 . 1 1 34 34 LEU H H 34 8.411 8.411 8.678 -0.267 25538 3939 1 9 . 1 1 35 35 LYS N N 35 114.927 114.927 116.591 -1.664 25538 3940 1 9 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.968 -0.164 25538 3941 1 9 . 1 1 35 35 LYS C C 35 180.207 180.207 179.223 0.984 25538 3942 1 9 . 1 1 35 35 LYS CA C 35 60.140 60.140 57.777 2.363 25538 3943 1 9 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.402 1.167 25538 3944 1 9 . 1 1 35 35 LYS H H 35 7.964 7.964 8.081 -0.117 25538 3945 1 9 . 1 1 36 36 ILE N N 36 119.935 119.935 120.398 -0.463 25538 3946 1 9 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.543 -0.240 25538 3947 1 9 . 1 1 36 36 ILE C C 36 176.418 176.418 177.750 -1.332 25538 3948 1 9 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.870 1.614 25538 3949 1 9 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.444 1.185 25538 3950 1 9 . 1 1 36 36 ILE H H 36 6.739 6.739 7.513 -0.774 25538 3951 1 9 . 1 1 37 37 LEU N N 37 116.682 116.682 120.798 -4.116 25538 3952 1 9 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.461 0.067 25538 3953 1 9 . 1 1 37 37 LEU C C 37 180.263 180.263 179.038 1.225 25538 3954 1 9 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.140 0.085 25538 3955 1 9 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.745 -1.603 25538 3956 1 9 . 1 1 37 37 LEU H H 37 7.633 7.633 7.681 -0.048 25538 3957 1 9 . 1 1 38 38 HIS N N 38 117.463 117.463 117.852 -0.389 25538 3958 1 9 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.141 0.541 25538 3959 1 9 . 1 1 38 38 HIS C C 38 179.936 179.936 177.860 2.076 25538 3960 1 9 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.966 -1.675 25538 3961 1 9 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.820 0.912 25538 3962 1 9 . 1 1 38 38 HIS H H 38 8.932 8.932 8.526 0.406 25538 3963 1 9 . 1 1 39 39 ALA N N 39 124.102 124.102 121.769 2.333 25538 3964 1 9 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.126 0.125 25538 3965 1 9 . 1 1 39 39 ALA C C 39 178.764 178.764 178.689 0.075 25538 3966 1 9 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.251 0.872 25538 3967 1 9 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.585 -0.475 25538 3968 1 9 . 1 1 39 39 ALA H H 39 7.951 7.951 8.099 -0.148 25538 3969 1 9 . 1 1 40 40 ALA N N 40 118.164 118.164 118.662 -0.498 25538 3970 1 9 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.335 0.086 25538 3971 1 9 . 1 1 40 40 ALA C C 40 176.261 176.261 177.633 -1.372 25538 3972 1 9 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.893 -0.757 25538 3973 1 9 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.220 1.892 25538 3974 1 9 . 1 1 40 40 ALA H H 40 7.647 7.647 8.004 -0.357 25538 3975 1 9 . 1 1 41 41 GLY N N 41 103.894 103.894 103.965 -0.071 25538 3976 1 9 . 1 1 41 41 GLY C C 41 174.412 174.412 174.144 0.268 25538 3977 1 9 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.757 0.097 25538 3978 1 9 . 1 1 41 41 GLY H H 41 7.677 7.677 7.742 -0.065 25538 3979 1 9 . 1 1 42 42 ALA N N 42 123.549 123.549 122.697 0.852 25538 3980 1 9 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.377 -0.747 25538 3981 1 9 . 1 1 42 42 ALA C C 42 175.956 175.956 175.180 0.776 25538 3982 1 9 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.584 1.096 25538 3983 1 9 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.361 -1.128 25538 3984 1 9 . 1 1 42 42 ALA H H 42 7.559 7.559 7.646 -0.087 25538 3985 1 9 . 1 1 43 43 GLN N N 43 117.516 117.516 118.208 -0.692 25538 3986 1 9 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.609 0.769 25538 3987 1 9 . 1 1 43 43 GLN C C 43 175.528 175.528 175.082 0.446 25538 3988 1 9 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.656 -1.037 25538 3989 1 9 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.576 1.621 25538 3990 1 9 . 1 1 43 43 GLN H H 43 8.531 8.531 8.405 0.126 25538 3991 1 9 . 1 1 44 44 GLY N N 44 108.084 108.084 112.242 -4.158 25538 3992 1 9 . 1 1 44 44 GLY C C 44 174.073 174.073 174.387 -0.314 25538 3993 1 9 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.805 -0.182 25538 3994 1 9 . 1 1 44 44 GLY H H 44 8.535 8.535 8.229 0.306 25538 3995 1 9 . 1 1 45 45 GLU N N 45 114.485 114.485 122.055 -7.570 25538 3996 1 9 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.034 0.576 25538 3997 1 9 . 1 1 45 45 GLU C C 45 174.007 174.007 174.711 -0.704 25538 3998 1 9 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.940 0.910 25538 3999 1 9 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.251 4.784 25538 4000 1 9 . 1 1 45 45 GLU H H 45 8.293 8.293 8.853 -0.560 25538 4001 1 9 . 1 1 46 46 MET N N 46 115.370 115.370 120.158 -4.788 25538 4002 1 9 . 1 1 46 46 MET HA H 46 5.047 5.047 4.330 0.717 25538 4003 1 9 . 1 1 46 46 MET C C 46 174.637 174.637 173.225 1.412 25538 4004 1 9 . 1 1 46 46 MET CA C 46 54.239 54.239 55.483 -1.244 25538 4005 1 9 . 1 1 46 46 MET CB C 46 35.727 35.727 34.184 1.543 25538 4006 1 9 . 1 1 46 46 MET H H 46 6.871 6.871 6.977 -0.106 25538 4007 1 9 . 1 1 47 47 PHE N N 47 118.922 118.922 121.347 -2.425 25538 4008 1 9 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.897 0.207 25538 4009 1 9 . 1 1 47 47 PHE C C 47 175.742 175.742 174.094 1.648 25538 4010 1 9 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.123 2.242 25538 4011 1 9 . 1 1 47 47 PHE CB C 47 46.882 46.882 41.092 5.790 25538 4012 1 9 . 1 1 47 47 PHE H H 47 8.611 8.611 7.688 0.923 25538 4013 1 9 . 1 1 48 48 THR N N 48 110.603 110.603 112.786 -2.183 25538 4014 1 9 . 1 1 48 48 THR HA H 48 4.982 4.982 4.511 0.471 25538 4015 1 9 . 1 1 48 48 THR C C 48 176.666 176.666 175.879 0.787 25538 4016 1 9 . 1 1 48 48 THR CA C 48 61.021 61.021 60.465 0.556 25538 4017 1 9 . 1 1 48 48 THR CB C 48 71.136 71.136 70.279 0.857 25538 4018 1 9 . 1 1 48 48 THR H H 48 9.113 9.113 8.203 0.910 25538 4019 1 9 . 1 1 49 49 VAL N N 49 121.595 121.595 121.667 -0.072 25538 4020 1 9 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.632 -0.239 25538 4021 1 9 . 1 1 49 49 VAL C C 49 177.726 177.726 177.519 0.207 25538 4022 1 9 . 1 1 49 49 VAL CA C 49 68.209 68.209 67.032 1.177 25538 4023 1 9 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.030 -0.669 25538 4024 1 9 . 1 1 49 49 VAL H H 49 9.074 9.074 8.880 0.194 25538 4025 1 9 . 1 1 50 50 LYS N N 50 118.504 118.504 118.687 -0.183 25538 4026 1 9 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.004 -0.045 25538 4027 1 9 . 1 1 50 50 LYS C C 50 180.060 180.060 179.045 1.015 25538 4028 1 9 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.965 -0.045 25538 4029 1 9 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.887 0.920 25538 4030 1 9 . 1 1 50 50 LYS H H 50 8.131 8.131 8.519 -0.388 25538 4031 1 9 . 1 1 51 51 GLU N N 51 119.547 119.547 119.437 0.110 25538 4032 1 9 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.183 -0.145 25538 4033 1 9 . 1 1 51 51 GLU C C 51 178.583 178.583 178.930 -0.347 25538 4034 1 9 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.738 1.118 25538 4035 1 9 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.517 1.885 25538 4036 1 9 . 1 1 51 51 GLU H H 51 7.882 7.882 7.921 -0.039 25538 4037 1 9 . 1 1 52 52 VAL N N 52 119.078 119.078 121.570 -2.492 25538 4038 1 9 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.688 -0.434 25538 4039 1 9 . 1 1 52 52 VAL C C 52 177.546 177.546 178.559 -1.013 25538 4040 1 9 . 1 1 52 52 VAL CA C 52 67.861 67.861 67.044 0.817 25538 4041 1 9 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.451 -0.220 25538 4042 1 9 . 1 1 52 52 VAL H H 52 8.258 8.258 8.756 -0.498 25538 4043 1 9 . 1 1 53 53 MET N N 53 114.606 114.606 117.146 -2.540 25538 4044 1 9 . 1 1 53 53 MET HA H 53 4.231 4.231 4.214 0.017 25538 4045 1 9 . 1 1 53 53 MET C C 53 178.640 178.640 178.483 0.157 25538 4046 1 9 . 1 1 53 53 MET CA C 53 57.902 57.902 57.266 0.636 25538 4047 1 9 . 1 1 53 53 MET CB C 53 32.640 32.640 30.954 1.686 25538 4048 1 9 . 1 1 53 53 MET H H 53 8.201 8.201 8.606 -0.405 25538 4049 1 9 . 1 1 54 54 HIS N N 54 118.707 118.707 121.158 -2.451 25538 4050 1 9 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.096 0.050 25538 4051 1 9 . 1 1 54 54 HIS C C 54 178.531 178.531 177.377 1.154 25538 4052 1 9 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.936 -0.924 25538 4053 1 9 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.662 0.498 25538 4054 1 9 . 1 1 54 54 HIS H H 54 8.122 8.122 7.828 0.294 25538 4055 1 9 . 1 1 55 55 TYR N N 55 116.875 116.875 118.040 -1.165 25538 4056 1 9 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.033 -0.165 25538 4057 1 9 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.704 2.033 25538 4058 1 9 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.596 1.438 25538 4059 1 9 . 1 1 55 55 TYR H H 55 8.480 8.480 8.462 0.018 25538 4060 1 9 . 1 1 56 56 LEU N N 56 120.976 120.976 119.958 1.018 25538 4061 1 9 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.890 -0.059 25538 4062 1 9 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.877 0.486 25538 4063 1 9 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.591 0.801 25538 4064 1 9 . 1 1 56 56 LEU H H 56 8.452 8.452 8.334 0.118 25538 4065 1 9 . 1 1 57 57 GLY N N 57 105.050 105.050 106.588 -1.538 25538 4066 1 9 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.233 -0.087 25538 4067 1 9 . 1 1 57 57 GLY H H 57 7.710 7.710 8.625 -0.915 25538 4068 1 9 . 1 1 58 58 GLN N N 58 119.017 119.017 121.750 -2.733 25538 4069 1 9 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.933 -0.106 25538 4070 1 9 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.325 0.353 25538 4071 1 9 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.100 0.775 25538 4072 1 9 . 1 1 58 58 GLN H H 58 7.649 7.649 8.278 -0.629 25538 4073 1 9 . 1 1 59 59 TYR N N 59 120.995 120.995 122.331 -1.336 25538 4074 1 9 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.193 -0.389 25538 4075 1 9 . 1 1 59 59 TYR C C 59 176.215 176.215 177.307 -1.092 25538 4076 1 9 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.156 0.409 25538 4077 1 9 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.753 -0.150 25538 4078 1 9 . 1 1 59 59 TYR H H 59 8.500 8.500 8.227 0.273 25538 4079 1 9 . 1 1 60 60 ILE N N 60 116.781 116.781 120.168 -3.387 25538 4080 1 9 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.581 -0.306 25538 4081 1 9 . 1 1 60 60 ILE C C 60 177.952 177.952 178.191 -0.239 25538 4082 1 9 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.886 -0.216 25538 4083 1 9 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.879 0.679 25538 4084 1 9 . 1 1 60 60 ILE H H 60 7.612 7.612 8.461 -0.849 25538 4085 1 9 . 1 1 61 61 MET N N 61 115.626 115.626 118.344 -2.718 25538 4086 1 9 . 1 1 61 61 MET HA H 61 4.529 4.529 4.133 0.396 25538 4087 1 9 . 1 1 61 61 MET C C 61 180.579 180.579 178.349 2.230 25538 4088 1 9 . 1 1 61 61 MET CA C 61 57.662 57.662 58.500 -0.838 25538 4089 1 9 . 1 1 61 61 MET CB C 61 31.449 31.449 32.027 -0.578 25538 4090 1 9 . 1 1 61 61 MET H H 61 7.717 7.717 8.058 -0.341 25538 4091 1 9 . 1 1 62 62 VAL N N 62 120.907 120.907 118.980 1.927 25538 4092 1 9 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.762 0.067 25538 4093 1 9 . 1 1 62 62 VAL C C 62 178.786 178.786 177.844 0.942 25538 4094 1 9 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.591 0.410 25538 4095 1 9 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.874 0.109 25538 4096 1 9 . 1 1 62 62 VAL H H 62 9.021 9.021 8.033 0.988 25538 4097 1 9 . 1 1 63 63 LYS N N 63 116.704 116.704 118.483 -1.779 25538 4098 1 9 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.150 -0.093 25538 4099 1 9 . 1 1 63 63 LYS C C 63 174.784 174.784 176.030 -1.246 25538 4100 1 9 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.815 0.268 25538 4101 1 9 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.400 -1.068 25538 4102 1 9 . 1 1 63 63 LYS H H 63 7.824 7.824 8.051 -0.227 25538 4103 1 9 . 1 1 64 64 GLN N N 64 115.371 115.371 113.616 1.755 25538 4104 1 9 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.181 -0.560 25538 4105 1 9 . 1 1 64 64 GLN C C 64 175.550 175.550 175.659 -0.109 25538 4106 1 9 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.328 0.651 25538 4107 1 9 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.935 0.313 25538 4108 1 9 . 1 1 64 64 GLN H H 64 7.653 7.653 8.129 -0.476 25538 4109 1 9 . 1 1 65 65 LEU N N 65 115.332 115.332 120.854 -5.522 25538 4110 1 9 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.625 -0.190 25538 4111 1 9 . 1 1 65 65 LEU C C 65 175.979 175.979 175.568 0.411 25538 4112 1 9 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.869 0.732 25538 4113 1 9 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.575 1.361 25538 4114 1 9 . 1 1 65 65 LEU H H 65 8.059 8.059 8.270 -0.211 25538 4115 1 9 . 1 1 66 66 TYR N N 66 113.240 113.240 114.760 -1.520 25538 4116 1 9 . 1 1 66 66 TYR HA H 66 5.260 5.260 4.935 0.325 25538 4117 1 9 . 1 1 66 66 TYR C C 66 174.107 174.107 173.720 0.387 25538 4118 1 9 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.217 -0.543 25538 4119 1 9 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.691 -0.932 25538 4120 1 9 . 1 1 66 66 TYR H H 66 6.845 6.845 7.279 -0.434 25538 4121 1 9 . 1 1 67 67 ASP N N 67 122.255 122.255 120.956 1.299 25538 4122 1 9 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.860 -0.425 25538 4123 1 9 . 1 1 67 67 ASP C C 67 176.779 176.779 176.738 0.041 25538 4124 1 9 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.801 0.985 25538 4125 1 9 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.898 -0.539 25538 4126 1 9 . 1 1 67 67 ASP H H 67 8.341 8.341 8.292 0.049 25538 4127 1 9 . 1 1 68 68 GLN N N 68 123.090 123.090 123.604 -0.514 25538 4128 1 9 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.182 -0.301 25538 4129 1 9 . 1 1 68 68 GLN C C 68 177.122 177.122 176.651 0.471 25538 4130 1 9 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.005 0.883 25538 4131 1 9 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.631 0.434 25538 4132 1 9 . 1 1 68 68 GLN H H 68 8.552 8.552 8.682 -0.130 25538 4133 1 9 . 1 1 69 69 GLN N N 69 115.295 115.295 118.878 -3.583 25538 4134 1 9 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.431 -0.092 25538 4135 1 9 . 1 1 69 69 GLN C C 69 176.272 176.272 176.956 -0.684 25538 4136 1 9 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.733 0.202 25538 4137 1 9 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.385 -0.469 25538 4138 1 9 . 1 1 69 69 GLN H H 69 8.347 8.347 8.524 -0.177 25538 4139 1 9 . 1 1 70 70 GLU N N 70 122.341 122.341 121.787 0.554 25538 4140 1 9 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.386 0.105 25538 4141 1 9 . 1 1 70 70 GLU C C 70 175.832 175.832 176.406 -0.574 25538 4142 1 9 . 1 1 70 70 GLU CA C 70 55.086 55.086 54.925 0.161 25538 4143 1 9 . 1 1 70 70 GLU CB C 70 29.538 29.538 27.671 1.867 25538 4144 1 9 . 1 1 70 70 GLU H H 70 8.237 8.237 8.690 -0.453 25538 4145 1 9 . 1 1 71 71 GLN N N 71 119.185 119.185 118.664 0.521 25538 4146 1 9 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.306 0.195 25538 4147 1 9 . 1 1 71 71 GLN C C 71 173.848 173.848 176.260 -2.412 25538 4148 1 9 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.058 1.742 25538 4149 1 9 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.887 -0.705 25538 4150 1 9 . 1 1 71 71 GLN H H 71 8.206 8.206 7.611 0.595 25538 4151 1 9 . 1 1 72 72 HIS N N 72 109.549 109.549 111.950 -2.401 25538 4152 1 9 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.517 -0.337 25538 4153 1 9 . 1 1 72 72 HIS C C 72 175.790 175.790 174.468 1.322 25538 4154 1 9 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.485 0.796 25538 4155 1 9 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.720 1.355 25538 4156 1 9 . 1 1 72 72 HIS H H 72 7.383 7.383 8.028 -0.645 25538 4157 1 9 . 1 1 73 73 MET N N 73 119.174 119.174 120.232 -1.058 25538 4158 1 9 . 1 1 73 73 MET HA H 73 4.570 4.570 4.766 -0.196 25538 4159 1 9 . 1 1 73 73 MET C C 73 174.242 174.242 173.881 0.361 25538 4160 1 9 . 1 1 73 73 MET CA C 73 53.027 53.027 54.006 -0.979 25538 4161 1 9 . 1 1 73 73 MET CB C 73 31.709 31.709 35.049 -3.340 25538 4162 1 9 . 1 1 73 73 MET H H 73 7.655 7.655 7.480 0.175 25538 4163 1 9 . 1 1 74 74 VAL N N 74 122.522 122.522 124.417 -1.895 25538 4164 1 9 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.232 -0.309 25538 4165 1 9 . 1 1 74 74 VAL C C 74 174.851 174.851 174.221 0.630 25538 4166 1 9 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.872 0.522 25538 4167 1 9 . 1 1 74 74 VAL CB C 74 32.787 32.787 33.131 -0.344 25538 4168 1 9 . 1 1 74 74 VAL H H 74 8.443 8.443 8.618 -0.175 25538 4169 1 9 . 1 1 75 75 TYR N N 75 125.773 125.773 124.202 1.571 25538 4170 1 9 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.046 -0.294 25538 4171 1 9 . 1 1 75 75 TYR C C 75 174.923 174.923 176.269 -1.346 25538 4172 1 9 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.494 1.318 25538 4173 1 9 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.408 0.225 25538 4174 1 9 . 1 1 75 75 TYR H H 75 8.256 8.256 8.889 -0.633 25538 4175 1 9 . 1 1 76 76 CYS N N 76 116.702 116.702 122.444 -5.742 25538 4176 1 9 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.522 0.225 25538 4177 1 9 . 1 1 76 76 CYS C C 76 174.231 174.231 176.843 -2.612 25538 4178 1 9 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.509 -3.406 25538 4179 1 9 . 1 1 76 76 CYS CB C 76 29.589 29.589 26.353 3.236 25538 4180 1 9 . 1 1 76 76 CYS H H 76 8.266 8.266 8.470 -0.204 25538 4181 1 9 . 1 1 77 77 GLY N N 77 111.675 111.675 111.165 0.510 25538 4182 1 9 . 1 1 77 77 GLY C C 77 174.662 174.662 175.024 -0.362 25538 4183 1 9 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.006 0.143 25538 4184 1 9 . 1 1 77 77 GLY H H 77 8.483 8.483 7.711 0.772 25538 4185 1 9 . 1 1 78 78 GLY N N 78 113.022 113.022 107.448 5.574 25538 4186 1 9 . 1 1 78 78 GLY C C 78 172.811 172.811 173.237 -0.426 25538 4187 1 9 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.540 1.212 25538 4188 1 9 . 1 1 78 78 GLY H H 78 8.892 8.892 8.184 0.708 25538 4189 1 9 . 1 1 79 79 ASP N N 79 119.457 119.457 120.996 -1.539 25538 4190 1 9 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.866 0.026 25538 4191 1 9 . 1 1 79 79 ASP C C 79 176.302 176.302 177.407 -1.105 25538 4192 1 9 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.109 -0.062 25538 4193 1 9 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.583 3.688 25538 4194 1 9 . 1 1 79 79 ASP H H 79 7.795 7.795 7.863 -0.068 25538 4195 1 9 . 1 1 80 80 LEU N N 80 128.421 128.421 124.895 3.526 25538 4196 1 9 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.069 -0.005 25538 4197 1 9 . 1 1 80 80 LEU C C 80 179.059 179.059 178.693 0.366 25538 4198 1 9 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.731 0.792 25538 4199 1 9 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.121 0.526 25538 4200 1 9 . 1 1 80 80 LEU H H 80 8.549 8.549 8.783 -0.234 25538 4201 1 9 . 1 1 81 81 LEU N N 81 118.678 118.678 120.220 -1.542 25538 4202 1 9 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.115 -0.248 25538 4203 1 9 . 1 1 81 81 LEU C C 81 178.542 178.542 178.753 -0.211 25538 4204 1 9 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.083 0.443 25538 4205 1 9 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.309 1.340 25538 4206 1 9 . 1 1 81 81 LEU H H 81 9.974 9.974 9.240 0.734 25538 4207 1 9 . 1 1 82 82 GLY N N 82 105.642 105.642 106.066 -0.424 25538 4208 1 9 . 1 1 82 82 GLY C C 82 176.907 176.907 176.480 0.427 25538 4209 1 9 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.162 0.831 25538 4210 1 9 . 1 1 82 82 GLY H H 82 7.543 7.543 7.871 -0.328 25538 4211 1 9 . 1 1 83 83 GLU N N 83 121.762 121.762 122.496 -0.734 25538 4212 1 9 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.094 -0.112 25538 4213 1 9 . 1 1 83 83 GLU C C 83 179.215 179.215 179.340 -0.125 25538 4214 1 9 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.482 -0.321 25538 4215 1 9 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.485 -0.014 25538 4216 1 9 . 1 1 83 83 GLU H H 83 7.537 7.537 8.188 -0.651 25538 4217 1 9 . 1 1 84 84 LEU N N 84 118.478 118.478 117.953 0.525 25538 4218 1 9 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.184 -0.160 25538 4219 1 9 . 1 1 84 84 LEU C C 84 178.842 178.842 179.004 -0.162 25538 4220 1 9 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.446 1.029 25538 4221 1 9 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.556 0.836 25538 4222 1 9 . 1 1 84 84 LEU H H 84 7.717 7.717 8.310 -0.593 25538 4223 1 9 . 1 1 85 85 LEU N N 85 115.268 115.268 114.445 0.823 25538 4224 1 9 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.228 -0.451 25538 4225 1 9 . 1 1 85 85 LEU C C 85 177.773 177.773 177.963 -0.190 25538 4226 1 9 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.582 -0.207 25538 4227 1 9 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.637 1.256 25538 4228 1 9 . 1 1 85 85 LEU H H 85 8.091 8.091 7.960 0.131 25538 4229 1 9 . 1 1 86 86 GLY N N 86 107.339 107.339 106.932 0.407 25538 4230 1 9 . 1 1 86 86 GLY C C 86 174.143 174.143 174.252 -0.109 25538 4231 1 9 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.959 1.356 25538 4232 1 9 . 1 1 86 86 GLY H H 86 7.993 7.993 8.029 -0.036 25538 4233 1 9 . 1 1 87 87 ARG N N 87 113.292 113.292 119.911 -6.619 25538 4234 1 9 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.632 0.022 25538 4235 1 9 . 1 1 87 87 ARG C C 87 174.720 174.720 175.445 -0.725 25538 4236 1 9 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.153 -0.993 25538 4237 1 9 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.410 2.046 25538 4238 1 9 . 1 1 87 87 ARG H H 87 7.407 7.407 7.527 -0.120 25538 4239 1 9 . 1 1 88 88 GLN N N 88 116.042 116.042 122.517 -6.475 25538 4240 1 9 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.377 -0.331 25538 4241 1 9 . 1 1 88 88 GLN C C 88 175.946 175.946 174.731 1.215 25538 4242 1 9 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.246 -0.071 25538 4243 1 9 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.380 0.410 25538 4244 1 9 . 1 1 88 88 GLN H H 88 8.660 8.660 8.720 -0.060 25538 4245 1 9 . 1 1 89 89 SER N N 89 110.533 110.533 110.605 -0.072 25538 4246 1 9 . 1 1 89 89 SER HA H 89 5.431 5.431 4.920 0.511 25538 4247 1 9 . 1 1 89 89 SER C C 89 173.062 173.062 173.027 0.035 25538 4248 1 9 . 1 1 89 89 SER CA C 89 57.019 57.019 56.503 0.516 25538 4249 1 9 . 1 1 89 89 SER CB C 89 66.577 66.577 65.809 0.768 25538 4250 1 9 . 1 1 89 89 SER H H 89 7.620 7.620 7.466 0.154 25538 4251 1 9 . 1 1 90 90 PHE N N 90 115.219 115.219 117.383 -2.164 25538 4252 1 9 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.888 -0.193 25538 4253 1 9 . 1 1 90 90 PHE C C 90 175.233 175.233 172.649 2.584 25538 4254 1 9 . 1 1 90 90 PHE CA C 90 57.095 57.095 57.064 0.031 25538 4255 1 9 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.448 -0.102 25538 4256 1 9 . 1 1 90 90 PHE H H 90 8.557 8.557 7.610 0.947 25538 4257 1 9 . 1 1 91 91 SER N N 91 113.681 113.681 114.285 -0.604 25538 4258 1 9 . 1 1 91 91 SER HA H 91 5.391 5.391 5.090 0.301 25538 4259 1 9 . 1 1 91 91 SER CA C 91 54.564 54.564 56.065 -1.501 25538 4260 1 9 . 1 1 91 91 SER CB C 91 65.366 65.366 67.030 -1.664 25538 4261 1 9 . 1 1 91 91 SER H H 91 9.006 9.006 8.353 0.653 25538 4262 1 9 . 1 1 92 92 VAL N N 92 121.388 121.388 120.050 1.338 25538 4263 1 9 . 1 1 92 92 VAL HA H 92 3.943 3.943 4.004 -0.061 25538 4264 1 9 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.026 0.169 25538 4265 1 9 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.266 -1.035 25538 4266 1 9 . 1 1 92 92 VAL H H 92 8.983 8.983 8.850 0.133 25538 4267 1 9 . 1 1 93 93 LYS N N 93 116.161 116.161 119.276 -3.115 25538 4268 1 9 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.263 -0.280 25538 4269 1 9 . 1 1 93 93 LYS C C 93 177.088 177.088 176.525 0.563 25538 4270 1 9 . 1 1 93 93 LYS CA C 93 57.181 57.181 57.479 -0.298 25538 4271 1 9 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.359 -1.235 25538 4272 1 9 . 1 1 93 93 LYS H H 93 8.078 8.078 7.625 0.453 25538 4273 1 9 . 1 1 94 94 ASP N N 94 115.406 115.406 118.817 -3.411 25538 4274 1 9 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.016 -0.067 25538 4275 1 9 . 1 1 94 94 ASP CA C 94 51.557 51.557 52.048 -0.491 25538 4276 1 9 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.856 -0.411 25538 4277 1 9 . 1 1 94 94 ASP H H 94 7.385 7.385 7.988 -0.603 25538 4278 1 9 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.663 -0.226 25538 4279 1 9 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.435 0.454 25538 4280 1 9 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.176 1.584 25538 4281 1 9 . 1 1 96 96 SER N N 96 118.819 118.819 117.054 1.765 25538 4282 1 9 . 1 1 96 96 SER HA H 96 4.220 4.220 4.049 0.171 25538 4283 1 9 . 1 1 96 96 SER CA C 96 64.406 64.406 63.457 0.949 25538 4284 1 9 . 1 1 96 96 SER CB C 96 61.862 61.862 60.999 0.863 25538 4285 1 9 . 1 1 96 96 SER H H 96 8.104 8.104 7.743 0.361 25538 4286 1 9 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.367 -0.018 25538 4287 1 9 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.308 0.603 25538 4288 1 9 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.413 0.082 25538 4289 1 9 . 1 1 98 98 LEU N N 98 118.063 118.063 120.559 -2.496 25538 4290 1 9 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.867 -0.264 25538 4291 1 9 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.763 -0.662 25538 4292 1 9 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.601 -0.205 25538 4293 1 9 . 1 1 98 98 LEU H H 98 7.087 7.087 7.169 -0.082 25538 4294 1 9 . 1 1 99 99 TYR N N 99 118.063 118.063 118.815 -0.752 25538 4295 1 9 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.038 0.106 25538 4296 1 9 . 1 1 99 99 TYR C C 99 178.914 178.914 178.076 0.838 25538 4297 1 9 . 1 1 99 99 TYR CA C 99 61.268 61.268 60.105 1.163 25538 4298 1 9 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.565 -0.597 25538 4299 1 9 . 1 1 99 99 TYR H H 99 7.594 7.594 8.925 -1.331 25538 4300 1 9 . 1 1 100 100 ASP N N 100 119.682 119.682 119.681 0.001 25538 4301 1 9 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.361 -0.035 25538 4302 1 9 . 1 1 100 100 ASP C C 100 177.737 177.737 178.308 -0.571 25538 4303 1 9 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.095 0.780 25538 4304 1 9 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.959 0.129 25538 4305 1 9 . 1 1 100 100 ASP H H 100 8.315 8.315 7.836 0.479 25538 4306 1 9 . 1 1 101 101 MET N N 101 118.784 118.784 119.371 -0.587 25538 4307 1 9 . 1 1 101 101 MET HA H 101 3.969 3.969 4.161 -0.192 25538 4308 1 9 . 1 1 101 101 MET C C 101 180.080 180.080 178.400 1.680 25538 4309 1 9 . 1 1 101 101 MET CA C 101 59.420 59.420 58.329 1.091 25538 4310 1 9 . 1 1 101 101 MET CB C 101 31.642 31.642 32.225 -0.583 25538 4311 1 9 . 1 1 101 101 MET H H 101 7.245 7.245 7.891 -0.646 25538 4312 1 9 . 1 1 102 102 LEU N N 102 121.572 121.572 121.205 0.367 25538 4313 1 9 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.841 -0.140 25538 4314 1 9 . 1 1 102 102 LEU C C 102 178.566 178.566 178.917 -0.351 25538 4315 1 9 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.776 0.967 25538 4316 1 9 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.253 0.193 25538 4317 1 9 . 1 1 102 102 LEU H H 102 8.471 8.471 8.657 -0.186 25538 4318 1 9 . 1 1 103 103 ARG N N 103 117.180 117.180 115.476 1.704 25538 4319 1 9 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.031 -0.061 25538 4320 1 9 . 1 1 103 103 ARG C C 103 178.818 178.818 177.546 1.272 25538 4321 1 9 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.720 0.783 25538 4322 1 9 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.193 0.023 25538 4323 1 9 . 1 1 103 103 ARG H H 103 7.933 7.933 7.889 0.044 25538 4324 1 9 . 1 1 104 104 LYS N N 104 114.206 114.206 115.763 -1.557 25538 4325 1 9 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.404 -0.188 25538 4326 1 9 . 1 1 104 104 LYS C C 104 177.556 177.556 176.040 1.516 25538 4327 1 9 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.538 1.215 25538 4328 1 9 . 1 1 104 104 LYS CB C 104 34.100 34.100 33.069 1.031 25538 4329 1 9 . 1 1 104 104 LYS H H 104 7.171 7.171 7.656 -0.485 25538 4330 1 9 . 1 1 105 105 ASN N N 105 114.097 114.097 117.448 -3.351 25538 4331 1 9 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.986 -0.255 25538 4332 1 9 . 1 1 105 105 ASN C C 105 172.822 172.822 173.835 -1.013 25538 4333 1 9 . 1 1 105 105 ASN CA C 105 54.843 54.843 53.907 0.936 25538 4334 1 9 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.673 0.668 25538 4335 1 9 . 1 1 105 105 ASN H H 105 7.661 7.661 8.001 -0.340 25538 4336 1 9 . 1 1 106 106 LEU N N 106 118.656 118.656 119.959 -1.303 25538 4337 1 9 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.976 -0.305 25538 4338 1 9 . 1 1 106 106 LEU C C 106 175.658 175.658 177.477 -1.819 25538 4339 1 9 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.790 0.368 25538 4340 1 9 . 1 1 106 106 LEU CB C 106 43.610 43.610 45.749 -2.139 25538 4341 1 9 . 1 1 106 106 LEU H H 106 7.440 7.440 8.235 -0.795 25538 4342 1 9 . 1 1 107 107 VAL N N 107 122.765 122.765 119.070 3.695 25538 4343 1 9 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.213 0.001 25538 4344 1 9 . 1 1 107 107 VAL C C 107 176.054 176.054 175.532 0.522 25538 4345 1 9 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.068 0.076 25538 4346 1 9 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.902 3.654 25538 4347 1 9 . 1 1 107 107 VAL H H 107 8.158 8.158 8.180 -0.022 25538 4348 1 9 . 1 1 108 108 THR N N 108 120.921 120.921 114.770 6.151 25538 4349 1 9 . 1 1 108 108 THR HA H 108 4.332 4.332 3.839 0.493 25538 4350 1 9 . 1 1 108 108 THR C C 108 174.216 174.216 173.587 0.629 25538 4351 1 9 . 1 1 108 108 THR CA C 108 62.726 62.726 62.746 -0.020 25538 4352 1 9 . 1 1 108 108 THR CB C 108 69.777 69.777 67.990 1.787 25538 4353 1 9 . 1 1 108 108 THR H H 108 8.524 8.524 7.679 0.845 25538 4354 1 9 . 1 1 109 109 LEU N N 109 125.518 125.518 122.745 2.773 25538 4355 1 9 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.339 0.016 25538 4356 1 9 . 1 1 109 109 LEU C C 109 176.523 176.523 176.036 0.487 25538 4357 1 9 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.205 0.843 25538 4358 1 9 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.302 1.288 25538 4359 1 9 . 1 1 109 109 LEU H H 109 8.312 8.312 8.017 0.295 25538 4360 1 9 . 1 1 110 110 ALA N N 110 125.099 125.099 126.412 -1.313 25538 4361 1 9 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.597 -0.231 25538 4362 1 9 . 1 1 110 110 ALA C C 110 176.847 176.847 175.830 1.017 25538 4363 1 9 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.965 0.663 25538 4364 1 9 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.023 -1.317 25538 4365 1 9 . 1 1 110 110 ALA H H 110 8.257 8.257 8.050 0.207 25538 4366 1 10 . 1 1 24 24 ILE N N 24 120.669 120.669 122.464 -1.795 25538 4367 1 10 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.053 0.094 25538 4368 1 10 . 1 1 24 24 ILE C C 24 175.650 175.650 176.054 -0.404 25538 4369 1 10 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.097 -0.756 25538 4370 1 10 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.614 1.363 25538 4371 1 10 . 1 1 24 24 ILE H H 24 8.122 8.122 8.267 -0.145 25538 4372 1 10 . 1 1 25 25 ASN N N 25 121.886 121.886 125.865 -3.979 25538 4373 1 10 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.980 -0.278 25538 4374 1 10 . 1 1 25 25 ASN C C 25 174.775 174.775 173.753 1.022 25538 4375 1 10 . 1 1 25 25 ASN CA C 25 53.730 53.730 51.931 1.799 25538 4376 1 10 . 1 1 25 25 ASN CB C 25 39.301 39.301 41.035 -1.734 25538 4377 1 10 . 1 1 25 25 ASN H H 25 8.436 8.436 8.565 -0.129 25538 4378 1 10 . 1 1 26 26 GLN N N 26 118.706 118.706 119.669 -0.963 25538 4379 1 10 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.297 0.285 25538 4380 1 10 . 1 1 26 26 GLN C C 26 175.291 175.291 174.606 0.685 25538 4381 1 10 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.297 -0.657 25538 4382 1 10 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.125 3.092 25538 4383 1 10 . 1 1 26 26 GLN H H 26 8.208 8.208 8.544 -0.336 25538 4384 1 10 . 1 1 27 27 VAL N N 27 113.658 113.658 123.385 -9.727 25538 4385 1 10 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.374 0.502 25538 4386 1 10 . 1 1 27 27 VAL C C 27 173.900 173.900 174.116 -0.216 25538 4387 1 10 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.779 -2.663 25538 4388 1 10 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.240 0.774 25538 4389 1 10 . 1 1 27 27 VAL H H 27 9.401 9.401 8.407 0.994 25538 4390 1 10 . 1 1 28 28 ARG N N 28 121.535 121.535 122.846 -1.311 25538 4391 1 10 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.785 0.672 25538 4392 1 10 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.644 -1.073 25538 4393 1 10 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.153 1.499 25538 4394 1 10 . 1 1 28 28 ARG H H 28 8.904 8.904 8.510 0.394 25538 4395 1 10 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.979 0.030 25538 4396 1 10 . 1 1 29 29 PRO CA C 29 61.940 61.940 62.141 -0.201 25538 4397 1 10 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.535 -1.281 25538 4398 1 10 . 1 1 30 30 LYS N N 30 121.258 121.258 120.665 0.593 25538 4399 1 10 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.452 -0.251 25538 4400 1 10 . 1 1 30 30 LYS C C 30 177.557 177.557 178.003 -0.446 25538 4401 1 10 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.318 2.067 25538 4402 1 10 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.335 -0.485 25538 4403 1 10 . 1 1 30 30 LYS H H 30 8.477 8.477 8.635 -0.158 25538 4404 1 10 . 1 1 31 31 LEU N N 31 121.577 121.577 126.901 -5.324 25538 4405 1 10 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.170 -0.108 25538 4406 1 10 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.065 1.131 25538 4407 1 10 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.943 -0.168 25538 4408 1 10 . 1 1 31 31 LEU H H 31 8.599 8.599 8.897 -0.298 25538 4409 1 10 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.235 -0.098 25538 4410 1 10 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.412 1.073 25538 4411 1 10 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.951 0.635 25538 4412 1 10 . 1 1 33 33 LEU N N 33 113.299 113.299 120.008 -6.709 25538 4413 1 10 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.271 -0.296 25538 4414 1 10 . 1 1 33 33 LEU C C 33 177.726 177.726 177.704 0.022 25538 4415 1 10 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.171 -0.031 25538 4416 1 10 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.135 -0.305 25538 4417 1 10 . 1 1 33 33 LEU H H 33 6.610 6.610 7.455 -0.845 25538 4418 1 10 . 1 1 34 34 LEU N N 34 121.730 121.730 122.156 -0.426 25538 4419 1 10 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.883 -0.487 25538 4420 1 10 . 1 1 34 34 LEU C C 34 177.467 177.467 178.374 -0.907 25538 4421 1 10 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.604 -0.343 25538 4422 1 10 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.795 0.041 25538 4423 1 10 . 1 1 34 34 LEU H H 34 8.411 8.411 8.800 -0.389 25538 4424 1 10 . 1 1 35 35 LYS N N 35 114.927 114.927 117.846 -2.919 25538 4425 1 10 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.945 -0.141 25538 4426 1 10 . 1 1 35 35 LYS C C 35 180.207 180.207 179.155 1.052 25538 4427 1 10 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.573 1.567 25538 4428 1 10 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.332 1.237 25538 4429 1 10 . 1 1 35 35 LYS H H 35 7.964 7.964 8.246 -0.282 25538 4430 1 10 . 1 1 36 36 ILE N N 36 119.935 119.935 120.531 -0.596 25538 4431 1 10 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.655 -0.352 25538 4432 1 10 . 1 1 36 36 ILE C C 36 176.418 176.418 177.974 -1.556 25538 4433 1 10 . 1 1 36 36 ILE CA C 36 64.484 64.484 63.168 1.316 25538 4434 1 10 . 1 1 36 36 ILE CB C 36 37.629 37.629 37.132 0.497 25538 4435 1 10 . 1 1 36 36 ILE H H 36 6.739 6.739 7.145 -0.406 25538 4436 1 10 . 1 1 37 37 LEU N N 37 116.682 116.682 120.581 -3.899 25538 4437 1 10 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.495 0.033 25538 4438 1 10 . 1 1 37 37 LEU C C 37 180.263 180.263 179.024 1.239 25538 4439 1 10 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.308 -0.083 25538 4440 1 10 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.767 -1.625 25538 4441 1 10 . 1 1 37 37 LEU H H 37 7.633 7.633 7.944 -0.311 25538 4442 1 10 . 1 1 38 38 HIS N N 38 117.463 117.463 117.572 -0.109 25538 4443 1 10 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.197 0.485 25538 4444 1 10 . 1 1 38 38 HIS C C 38 179.936 179.936 177.900 2.036 25538 4445 1 10 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.972 -1.681 25538 4446 1 10 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.936 0.796 25538 4447 1 10 . 1 1 38 38 HIS H H 38 8.932 8.932 8.745 0.187 25538 4448 1 10 . 1 1 39 39 ALA N N 39 124.102 124.102 121.918 2.184 25538 4449 1 10 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.143 0.108 25538 4450 1 10 . 1 1 39 39 ALA C C 39 178.764 178.764 178.570 0.194 25538 4451 1 10 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.148 0.976 25538 4452 1 10 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.570 -0.459 25538 4453 1 10 . 1 1 39 39 ALA H H 39 7.951 7.951 8.210 -0.259 25538 4454 1 10 . 1 1 40 40 ALA N N 40 118.164 118.164 119.010 -0.846 25538 4455 1 10 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.300 0.121 25538 4456 1 10 . 1 1 40 40 ALA C C 40 176.261 176.261 177.789 -1.528 25538 4457 1 10 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.802 -0.666 25538 4458 1 10 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.292 1.820 25538 4459 1 10 . 1 1 40 40 ALA H H 40 7.647 7.647 8.013 -0.366 25538 4460 1 10 . 1 1 41 41 GLY N N 41 103.894 103.894 104.348 -0.454 25538 4461 1 10 . 1 1 41 41 GLY C C 41 174.412 174.412 174.342 0.070 25538 4462 1 10 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.722 0.132 25538 4463 1 10 . 1 1 41 41 GLY H H 41 7.677 7.677 7.726 -0.049 25538 4464 1 10 . 1 1 42 42 ALA N N 42 123.549 123.549 122.683 0.866 25538 4465 1 10 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.225 -0.595 25538 4466 1 10 . 1 1 42 42 ALA C C 42 175.956 175.956 175.664 0.292 25538 4467 1 10 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.528 1.152 25538 4468 1 10 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.308 -1.075 25538 4469 1 10 . 1 1 42 42 ALA H H 42 7.559 7.559 7.562 -0.003 25538 4470 1 10 . 1 1 43 43 GLN N N 43 117.516 117.516 116.863 0.653 25538 4471 1 10 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.428 0.950 25538 4472 1 10 . 1 1 43 43 GLN C C 43 175.528 175.528 174.717 0.811 25538 4473 1 10 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.281 -0.662 25538 4474 1 10 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.480 0.716 25538 4475 1 10 . 1 1 43 43 GLN H H 43 8.531 8.531 8.324 0.207 25538 4476 1 10 . 1 1 44 44 GLY N N 44 108.084 108.084 111.370 -3.286 25538 4477 1 10 . 1 1 44 44 GLY C C 44 174.073 174.073 174.426 -0.353 25538 4478 1 10 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.763 -0.140 25538 4479 1 10 . 1 1 44 44 GLY H H 44 8.535 8.535 8.153 0.382 25538 4480 1 10 . 1 1 45 45 GLU N N 45 114.485 114.485 123.457 -8.972 25538 4481 1 10 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.300 1.310 25538 4482 1 10 . 1 1 45 45 GLU C C 45 174.007 174.007 174.759 -0.752 25538 4483 1 10 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.756 1.094 25538 4484 1 10 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.459 4.576 25538 4485 1 10 . 1 1 45 45 GLU H H 45 8.293 8.293 8.796 -0.503 25538 4486 1 10 . 1 1 46 46 MET N N 46 115.370 115.370 116.968 -1.598 25538 4487 1 10 . 1 1 46 46 MET HA H 46 5.047 5.047 4.488 0.559 25538 4488 1 10 . 1 1 46 46 MET C C 46 174.637 174.637 174.205 0.432 25538 4489 1 10 . 1 1 46 46 MET CA C 46 54.239 54.239 53.355 0.884 25538 4490 1 10 . 1 1 46 46 MET CB C 46 35.727 35.727 32.877 2.850 25538 4491 1 10 . 1 1 46 46 MET H H 46 6.871 6.871 7.196 -0.325 25538 4492 1 10 . 1 1 47 47 PHE N N 47 118.922 118.922 119.427 -0.505 25538 4493 1 10 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.837 0.267 25538 4494 1 10 . 1 1 47 47 PHE C C 47 175.742 175.742 175.761 -0.019 25538 4495 1 10 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.743 2.622 25538 4496 1 10 . 1 1 47 47 PHE CB C 47 46.882 46.882 38.775 8.107 25538 4497 1 10 . 1 1 47 47 PHE H H 47 8.611 8.611 6.876 1.735 25538 4498 1 10 . 1 1 48 48 THR N N 48 110.603 110.603 113.003 -2.400 25538 4499 1 10 . 1 1 48 48 THR HA H 48 4.982 4.982 4.414 0.568 25538 4500 1 10 . 1 1 48 48 THR C C 48 176.666 176.666 175.673 0.993 25538 4501 1 10 . 1 1 48 48 THR CA C 48 61.021 61.021 60.431 0.591 25538 4502 1 10 . 1 1 48 48 THR CB C 48 71.136 71.136 70.618 0.518 25538 4503 1 10 . 1 1 48 48 THR H H 48 9.113 9.113 8.187 0.926 25538 4504 1 10 . 1 1 49 49 VAL N N 49 121.595 121.595 122.275 -0.680 25538 4505 1 10 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.665 -0.272 25538 4506 1 10 . 1 1 49 49 VAL C C 49 177.726 177.726 177.648 0.078 25538 4507 1 10 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.795 1.414 25538 4508 1 10 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.166 -0.805 25538 4509 1 10 . 1 1 49 49 VAL H H 49 9.074 9.074 8.914 0.160 25538 4510 1 10 . 1 1 50 50 LYS N N 50 118.504 118.504 118.272 0.232 25538 4511 1 10 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.016 -0.057 25538 4512 1 10 . 1 1 50 50 LYS C C 50 180.060 180.060 179.115 0.945 25538 4513 1 10 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.971 -0.051 25538 4514 1 10 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.884 0.923 25538 4515 1 10 . 1 1 50 50 LYS H H 50 8.131 8.131 8.551 -0.420 25538 4516 1 10 . 1 1 51 51 GLU N N 51 119.547 119.547 119.469 0.078 25538 4517 1 10 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.156 -0.118 25538 4518 1 10 . 1 1 51 51 GLU C C 51 178.583 178.583 178.780 -0.197 25538 4519 1 10 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.819 1.037 25538 4520 1 10 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.609 1.793 25538 4521 1 10 . 1 1 51 51 GLU H H 51 7.882 7.882 7.804 0.078 25538 4522 1 10 . 1 1 52 52 VAL N N 52 119.078 119.078 121.312 -2.234 25538 4523 1 10 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.622 -0.368 25538 4524 1 10 . 1 1 52 52 VAL C C 52 177.546 177.546 178.572 -1.026 25538 4525 1 10 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.755 1.106 25538 4526 1 10 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.180 0.051 25538 4527 1 10 . 1 1 52 52 VAL H H 52 8.258 8.258 8.833 -0.575 25538 4528 1 10 . 1 1 53 53 MET N N 53 114.606 114.606 116.783 -2.177 25538 4529 1 10 . 1 1 53 53 MET HA H 53 4.231 4.231 4.161 0.070 25538 4530 1 10 . 1 1 53 53 MET C C 53 178.640 178.640 178.548 0.092 25538 4531 1 10 . 1 1 53 53 MET CA C 53 57.902 57.902 57.349 0.553 25538 4532 1 10 . 1 1 53 53 MET CB C 53 32.640 32.640 30.712 1.928 25538 4533 1 10 . 1 1 53 53 MET H H 53 8.201 8.201 8.567 -0.366 25538 4534 1 10 . 1 1 54 54 HIS N N 54 118.707 118.707 121.050 -2.343 25538 4535 1 10 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.103 0.043 25538 4536 1 10 . 1 1 54 54 HIS C C 54 178.531 178.531 177.425 1.106 25538 4537 1 10 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.832 -0.820 25538 4538 1 10 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.699 0.461 25538 4539 1 10 . 1 1 54 54 HIS H H 54 8.122 8.122 7.675 0.447 25538 4540 1 10 . 1 1 55 55 TYR N N 55 116.875 116.875 118.082 -1.207 25538 4541 1 10 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.093 -0.225 25538 4542 1 10 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.812 1.925 25538 4543 1 10 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.668 1.366 25538 4544 1 10 . 1 1 55 55 TYR H H 55 8.480 8.480 8.430 0.050 25538 4545 1 10 . 1 1 56 56 LEU N N 56 120.976 120.976 120.082 0.894 25538 4546 1 10 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.868 -0.037 25538 4547 1 10 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.853 0.510 25538 4548 1 10 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.448 0.944 25538 4549 1 10 . 1 1 56 56 LEU H H 56 8.452 8.452 8.307 0.145 25538 4550 1 10 . 1 1 57 57 GLY N N 57 105.050 105.050 106.840 -1.790 25538 4551 1 10 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.018 0.128 25538 4552 1 10 . 1 1 57 57 GLY H H 57 7.710 7.710 8.442 -0.732 25538 4553 1 10 . 1 1 58 58 GLN N N 58 119.017 119.017 122.133 -3.116 25538 4554 1 10 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.832 -0.005 25538 4555 1 10 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.957 -0.279 25538 4556 1 10 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.535 0.340 25538 4557 1 10 . 1 1 58 58 GLN H H 58 7.649 7.649 7.985 -0.336 25538 4558 1 10 . 1 1 59 59 TYR N N 59 120.995 120.995 121.457 -0.462 25538 4559 1 10 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.155 -0.351 25538 4560 1 10 . 1 1 59 59 TYR C C 59 176.215 176.215 177.624 -1.409 25538 4561 1 10 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.036 0.529 25538 4562 1 10 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.432 0.171 25538 4563 1 10 . 1 1 59 59 TYR H H 59 8.500 8.500 8.373 0.127 25538 4564 1 10 . 1 1 60 60 ILE N N 60 116.781 116.781 119.888 -3.107 25538 4565 1 10 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.618 -0.343 25538 4566 1 10 . 1 1 60 60 ILE C C 60 177.952 177.952 178.162 -0.210 25538 4567 1 10 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.880 -0.210 25538 4568 1 10 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.856 0.702 25538 4569 1 10 . 1 1 60 60 ILE H H 60 7.612 7.612 8.476 -0.864 25538 4570 1 10 . 1 1 61 61 MET N N 61 115.626 115.626 118.346 -2.720 25538 4571 1 10 . 1 1 61 61 MET HA H 61 4.529 4.529 4.119 0.410 25538 4572 1 10 . 1 1 61 61 MET C C 61 180.579 180.579 178.410 2.169 25538 4573 1 10 . 1 1 61 61 MET CA C 61 57.662 57.662 58.359 -0.697 25538 4574 1 10 . 1 1 61 61 MET CB C 61 31.449 31.449 31.992 -0.543 25538 4575 1 10 . 1 1 61 61 MET H H 61 7.717 7.717 8.004 -0.287 25538 4576 1 10 . 1 1 62 62 VAL N N 62 120.907 120.907 118.910 1.997 25538 4577 1 10 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.766 0.063 25538 4578 1 10 . 1 1 62 62 VAL C C 62 178.786 178.786 177.944 0.842 25538 4579 1 10 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.580 0.421 25538 4580 1 10 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.851 0.132 25538 4581 1 10 . 1 1 62 62 VAL H H 62 9.021 9.021 8.159 0.862 25538 4582 1 10 . 1 1 63 63 LYS N N 63 116.704 116.704 118.606 -1.902 25538 4583 1 10 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.154 -0.097 25538 4584 1 10 . 1 1 63 63 LYS C C 63 174.784 174.784 176.043 -1.259 25538 4585 1 10 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.828 0.255 25538 4586 1 10 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.408 -1.076 25538 4587 1 10 . 1 1 63 63 LYS H H 63 7.824 7.824 8.005 -0.181 25538 4588 1 10 . 1 1 64 64 GLN N N 64 115.371 115.371 113.609 1.762 25538 4589 1 10 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.209 -0.588 25538 4590 1 10 . 1 1 64 64 GLN C C 64 175.550 175.550 175.646 -0.096 25538 4591 1 10 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.366 0.613 25538 4592 1 10 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.985 0.263 25538 4593 1 10 . 1 1 64 64 GLN H H 64 7.653 7.653 8.127 -0.474 25538 4594 1 10 . 1 1 65 65 LEU N N 65 115.332 115.332 120.466 -5.134 25538 4595 1 10 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.656 -0.221 25538 4596 1 10 . 1 1 65 65 LEU C C 65 175.979 175.979 175.647 0.332 25538 4597 1 10 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.861 0.740 25538 4598 1 10 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.655 1.281 25538 4599 1 10 . 1 1 65 65 LEU H H 65 8.059 8.059 8.246 -0.187 25538 4600 1 10 . 1 1 66 66 TYR N N 66 113.240 113.240 114.978 -1.738 25538 4601 1 10 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.013 0.247 25538 4602 1 10 . 1 1 66 66 TYR C C 66 174.107 174.107 173.766 0.341 25538 4603 1 10 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.111 -0.437 25538 4604 1 10 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.931 -1.172 25538 4605 1 10 . 1 1 66 66 TYR H H 66 6.845 6.845 7.272 -0.427 25538 4606 1 10 . 1 1 67 67 ASP N N 67 122.255 122.255 121.149 1.106 25538 4607 1 10 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.838 -0.403 25538 4608 1 10 . 1 1 67 67 ASP C C 67 176.779 176.779 176.797 -0.018 25538 4609 1 10 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.530 1.256 25538 4610 1 10 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.972 -0.613 25538 4611 1 10 . 1 1 67 67 ASP H H 67 8.341 8.341 8.276 0.065 25538 4612 1 10 . 1 1 68 68 GLN N N 68 123.090 123.090 123.441 -0.351 25538 4613 1 10 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.252 -0.371 25538 4614 1 10 . 1 1 68 68 GLN C C 68 177.122 177.122 176.387 0.735 25538 4615 1 10 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.024 0.865 25538 4616 1 10 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.307 0.758 25538 4617 1 10 . 1 1 68 68 GLN H H 68 8.552 8.552 8.694 -0.142 25538 4618 1 10 . 1 1 69 69 GLN N N 69 115.295 115.295 117.470 -2.175 25538 4619 1 10 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.608 -0.269 25538 4620 1 10 . 1 1 69 69 GLN C C 69 176.272 176.272 176.852 -0.580 25538 4621 1 10 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.348 0.587 25538 4622 1 10 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.904 -0.988 25538 4623 1 10 . 1 1 69 69 GLN H H 69 8.347 8.347 8.615 -0.268 25538 4624 1 10 . 1 1 70 70 GLU N N 70 122.341 122.341 122.397 -0.056 25538 4625 1 10 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.569 -0.078 25538 4626 1 10 . 1 1 70 70 GLU C C 70 175.832 175.832 176.380 -0.548 25538 4627 1 10 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.284 -0.198 25538 4628 1 10 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.352 1.186 25538 4629 1 10 . 1 1 70 70 GLU H H 70 8.237 8.237 8.688 -0.451 25538 4630 1 10 . 1 1 71 71 GLN N N 71 119.185 119.185 118.379 0.806 25538 4631 1 10 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.268 0.233 25538 4632 1 10 . 1 1 71 71 GLN C C 71 173.848 173.848 176.492 -2.644 25538 4633 1 10 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.198 1.602 25538 4634 1 10 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.778 -0.596 25538 4635 1 10 . 1 1 71 71 GLN H H 71 8.206 8.206 7.732 0.474 25538 4636 1 10 . 1 1 72 72 HIS N N 72 109.549 109.549 112.171 -2.622 25538 4637 1 10 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.498 -0.318 25538 4638 1 10 . 1 1 72 72 HIS C C 72 175.790 175.790 174.529 1.261 25538 4639 1 10 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.705 0.576 25538 4640 1 10 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.817 1.258 25538 4641 1 10 . 1 1 72 72 HIS H H 72 7.383 7.383 8.199 -0.816 25538 4642 1 10 . 1 1 73 73 MET N N 73 119.174 119.174 120.325 -1.151 25538 4643 1 10 . 1 1 73 73 MET HA H 73 4.570 4.570 4.632 -0.062 25538 4644 1 10 . 1 1 73 73 MET C C 73 174.242 174.242 173.932 0.310 25538 4645 1 10 . 1 1 73 73 MET CA C 73 53.027 53.027 53.907 -0.880 25538 4646 1 10 . 1 1 73 73 MET CB C 73 31.709 31.709 34.552 -2.843 25538 4647 1 10 . 1 1 73 73 MET H H 73 7.655 7.655 7.444 0.211 25538 4648 1 10 . 1 1 74 74 VAL N N 74 122.522 122.522 125.291 -2.769 25538 4649 1 10 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.163 -0.240 25538 4650 1 10 . 1 1 74 74 VAL C C 74 174.851 174.851 174.358 0.493 25538 4651 1 10 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.308 0.086 25538 4652 1 10 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.313 0.474 25538 4653 1 10 . 1 1 74 74 VAL H H 74 8.443 8.443 8.634 -0.191 25538 4654 1 10 . 1 1 75 75 TYR N N 75 125.773 125.773 126.200 -0.427 25538 4655 1 10 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.089 -0.337 25538 4656 1 10 . 1 1 75 75 TYR C C 75 174.923 174.923 176.089 -1.166 25538 4657 1 10 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.804 1.008 25538 4658 1 10 . 1 1 75 75 TYR CB C 75 38.633 38.633 37.568 1.065 25538 4659 1 10 . 1 1 75 75 TYR H H 75 8.256 8.256 8.888 -0.632 25538 4660 1 10 . 1 1 76 76 CYS N N 76 116.702 116.702 121.081 -4.379 25538 4661 1 10 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.100 0.647 25538 4662 1 10 . 1 1 76 76 CYS C C 76 174.231 174.231 176.519 -2.288 25538 4663 1 10 . 1 1 76 76 CYS CA C 76 56.103 56.103 62.827 -6.724 25538 4664 1 10 . 1 1 76 76 CYS CB C 76 29.589 29.589 28.264 1.325 25538 4665 1 10 . 1 1 76 76 CYS H H 76 8.266 8.266 8.551 -0.285 25538 4666 1 10 . 1 1 77 77 GLY N N 77 111.675 111.675 108.097 3.578 25538 4667 1 10 . 1 1 77 77 GLY C C 77 174.662 174.662 174.428 0.234 25538 4668 1 10 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.545 0.604 25538 4669 1 10 . 1 1 77 77 GLY H H 77 8.483 8.483 8.323 0.160 25538 4670 1 10 . 1 1 78 78 GLY N N 78 113.022 113.022 106.341 6.681 25538 4671 1 10 . 1 1 78 78 GLY C C 78 172.811 172.811 174.293 -1.482 25538 4672 1 10 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.641 1.111 25538 4673 1 10 . 1 1 78 78 GLY H H 78 8.892 8.892 7.998 0.894 25538 4674 1 10 . 1 1 79 79 ASP N N 79 119.457 119.457 121.389 -1.932 25538 4675 1 10 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.623 0.269 25538 4676 1 10 . 1 1 79 79 ASP C C 79 176.302 176.302 177.401 -1.099 25538 4677 1 10 . 1 1 79 79 ASP CA C 79 53.047 53.047 55.120 -2.073 25538 4678 1 10 . 1 1 79 79 ASP CB C 79 47.271 47.271 42.637 4.634 25538 4679 1 10 . 1 1 79 79 ASP H H 79 7.795 7.795 7.890 -0.095 25538 4680 1 10 . 1 1 80 80 LEU N N 80 128.421 128.421 125.441 2.980 25538 4681 1 10 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.002 0.062 25538 4682 1 10 . 1 1 80 80 LEU C C 80 179.059 179.059 178.565 0.494 25538 4683 1 10 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.917 0.606 25538 4684 1 10 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.185 0.462 25538 4685 1 10 . 1 1 80 80 LEU H H 80 8.549 8.549 9.005 -0.456 25538 4686 1 10 . 1 1 81 81 LEU N N 81 118.678 118.678 119.675 -0.997 25538 4687 1 10 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.084 -0.217 25538 4688 1 10 . 1 1 81 81 LEU C C 81 178.542 178.542 178.435 0.107 25538 4689 1 10 . 1 1 81 81 LEU CA C 81 58.526 58.526 57.997 0.529 25538 4690 1 10 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.261 1.388 25538 4691 1 10 . 1 1 81 81 LEU H H 81 9.974 9.974 9.132 0.842 25538 4692 1 10 . 1 1 82 82 GLY N N 82 105.642 105.642 106.374 -0.732 25538 4693 1 10 . 1 1 82 82 GLY C C 82 176.907 176.907 176.470 0.437 25538 4694 1 10 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.222 0.771 25538 4695 1 10 . 1 1 82 82 GLY H H 82 7.543 7.543 7.813 -0.270 25538 4696 1 10 . 1 1 83 83 GLU N N 83 121.762 121.762 122.072 -0.310 25538 4697 1 10 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.097 -0.115 25538 4698 1 10 . 1 1 83 83 GLU C C 83 179.215 179.215 179.253 -0.038 25538 4699 1 10 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.236 -0.075 25538 4700 1 10 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.392 0.079 25538 4701 1 10 . 1 1 83 83 GLU H H 83 7.537 7.537 8.209 -0.672 25538 4702 1 10 . 1 1 84 84 LEU N N 84 118.478 118.478 120.223 -1.745 25538 4703 1 10 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.091 -0.067 25538 4704 1 10 . 1 1 84 84 LEU C C 84 178.842 178.842 179.226 -0.384 25538 4705 1 10 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.470 0.005 25538 4706 1 10 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.872 0.520 25538 4707 1 10 . 1 1 84 84 LEU H H 84 7.717 7.717 8.233 -0.516 25538 4708 1 10 . 1 1 85 85 LEU N N 85 115.268 115.268 114.023 1.245 25538 4709 1 10 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.165 -0.388 25538 4710 1 10 . 1 1 85 85 LEU C C 85 177.773 177.773 177.769 0.004 25538 4711 1 10 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.139 0.236 25538 4712 1 10 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.177 1.716 25538 4713 1 10 . 1 1 85 85 LEU H H 85 8.091 8.091 8.103 -0.012 25538 4714 1 10 . 1 1 86 86 GLY N N 86 107.339 107.339 106.746 0.593 25538 4715 1 10 . 1 1 86 86 GLY C C 86 174.143 174.143 174.433 -0.290 25538 4716 1 10 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.136 1.179 25538 4717 1 10 . 1 1 86 86 GLY H H 86 7.993 7.993 8.047 -0.054 25538 4718 1 10 . 1 1 87 87 ARG N N 87 113.292 113.292 120.272 -6.980 25538 4719 1 10 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.614 0.040 25538 4720 1 10 . 1 1 87 87 ARG C C 87 174.720 174.720 175.547 -0.827 25538 4721 1 10 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.804 -0.644 25538 4722 1 10 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.077 2.379 25538 4723 1 10 . 1 1 87 87 ARG H H 87 7.407 7.407 7.536 -0.129 25538 4724 1 10 . 1 1 88 88 GLN N N 88 116.042 116.042 122.733 -6.691 25538 4725 1 10 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.302 -0.256 25538 4726 1 10 . 1 1 88 88 GLN C C 88 175.946 175.946 174.798 1.148 25538 4727 1 10 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.598 -0.423 25538 4728 1 10 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.441 0.349 25538 4729 1 10 . 1 1 88 88 GLN H H 88 8.660 8.660 8.792 -0.132 25538 4730 1 10 . 1 1 89 89 SER N N 89 110.533 110.533 111.260 -0.727 25538 4731 1 10 . 1 1 89 89 SER HA H 89 5.431 5.431 4.978 0.453 25538 4732 1 10 . 1 1 89 89 SER C C 89 173.062 173.062 172.982 0.080 25538 4733 1 10 . 1 1 89 89 SER CA C 89 57.019 57.019 57.071 -0.051 25538 4734 1 10 . 1 1 89 89 SER CB C 89 66.577 66.577 65.700 0.877 25538 4735 1 10 . 1 1 89 89 SER H H 89 7.620 7.620 7.568 0.052 25538 4736 1 10 . 1 1 90 90 PHE N N 90 115.219 115.219 117.186 -1.967 25538 4737 1 10 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.891 -0.196 25538 4738 1 10 . 1 1 90 90 PHE C C 90 175.233 175.233 172.642 2.591 25538 4739 1 10 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.544 0.552 25538 4740 1 10 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.122 0.224 25538 4741 1 10 . 1 1 90 90 PHE H H 90 8.557 8.557 7.860 0.697 25538 4742 1 10 . 1 1 91 91 SER N N 91 113.681 113.681 114.700 -1.019 25538 4743 1 10 . 1 1 91 91 SER HA H 91 5.391 5.391 5.028 0.363 25538 4744 1 10 . 1 1 91 91 SER CA C 91 54.564 54.564 55.048 -0.484 25538 4745 1 10 . 1 1 91 91 SER CB C 91 65.366 65.366 65.873 -0.507 25538 4746 1 10 . 1 1 91 91 SER H H 91 9.006 9.006 8.539 0.467 25538 4747 1 10 . 1 1 92 92 VAL N N 92 121.388 121.388 124.424 -3.036 25538 4748 1 10 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.961 -0.018 25538 4749 1 10 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.638 -0.443 25538 4750 1 10 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.153 -0.921 25538 4751 1 10 . 1 1 92 92 VAL H H 92 8.983 8.983 8.946 0.037 25538 4752 1 10 . 1 1 93 93 LYS N N 93 116.161 116.161 120.677 -4.516 25538 4753 1 10 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.185 -0.202 25538 4754 1 10 . 1 1 93 93 LYS C C 93 177.088 177.088 176.332 0.756 25538 4755 1 10 . 1 1 93 93 LYS CA C 93 57.181 57.181 58.018 -0.837 25538 4756 1 10 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.046 -0.922 25538 4757 1 10 . 1 1 93 93 LYS H H 93 8.078 8.078 7.677 0.401 25538 4758 1 10 . 1 1 94 94 ASP N N 94 115.406 115.406 117.396 -1.990 25538 4759 1 10 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.059 -0.110 25538 4760 1 10 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.081 0.476 25538 4761 1 10 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.033 0.412 25538 4762 1 10 . 1 1 94 94 ASP H H 94 7.385 7.385 8.097 -0.712 25538 4763 1 10 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.879 -0.442 25538 4764 1 10 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.433 0.456 25538 4765 1 10 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.785 0.975 25538 4766 1 10 . 1 1 96 96 SER N N 96 118.819 118.819 117.992 0.827 25538 4767 1 10 . 1 1 96 96 SER HA H 96 4.220 4.220 4.311 -0.091 25538 4768 1 10 . 1 1 96 96 SER CA C 96 64.406 64.406 64.540 -0.134 25538 4769 1 10 . 1 1 96 96 SER CB C 96 61.862 61.862 61.166 0.696 25538 4770 1 10 . 1 1 96 96 SER H H 96 8.104 8.104 8.137 -0.033 25538 4771 1 10 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.354 -0.005 25538 4772 1 10 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.236 0.675 25538 4773 1 10 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.460 0.035 25538 4774 1 10 . 1 1 98 98 LEU N N 98 118.063 118.063 120.805 -2.742 25538 4775 1 10 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.767 -0.164 25538 4776 1 10 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.464 -0.363 25538 4777 1 10 . 1 1 98 98 LEU CB C 98 41.396 41.396 40.822 0.574 25538 4778 1 10 . 1 1 98 98 LEU H H 98 7.087 7.087 7.066 0.021 25538 4779 1 10 . 1 1 99 99 TYR N N 99 118.063 118.063 118.531 -0.468 25538 4780 1 10 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.035 0.109 25538 4781 1 10 . 1 1 99 99 TYR C C 99 178.914 178.914 178.080 0.834 25538 4782 1 10 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.724 -1.456 25538 4783 1 10 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.917 -0.949 25538 4784 1 10 . 1 1 99 99 TYR H H 99 7.594 7.594 8.817 -1.223 25538 4785 1 10 . 1 1 100 100 ASP N N 100 119.682 119.682 119.947 -0.265 25538 4786 1 10 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.307 0.019 25538 4787 1 10 . 1 1 100 100 ASP C C 100 177.737 177.737 178.203 -0.466 25538 4788 1 10 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.280 0.595 25538 4789 1 10 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.835 0.253 25538 4790 1 10 . 1 1 100 100 ASP H H 100 8.315 8.315 8.001 0.314 25538 4791 1 10 . 1 1 101 101 MET N N 101 118.784 118.784 118.742 0.042 25538 4792 1 10 . 1 1 101 101 MET HA H 101 3.969 3.969 4.094 -0.125 25538 4793 1 10 . 1 1 101 101 MET C C 101 180.080 180.080 177.810 2.270 25538 4794 1 10 . 1 1 101 101 MET CA C 101 59.420 59.420 58.474 0.946 25538 4795 1 10 . 1 1 101 101 MET CB C 101 31.642 31.642 32.257 -0.615 25538 4796 1 10 . 1 1 101 101 MET H H 101 7.245 7.245 7.798 -0.553 25538 4797 1 10 . 1 1 102 102 LEU N N 102 121.572 121.572 120.513 1.059 25538 4798 1 10 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.765 -0.064 25538 4799 1 10 . 1 1 102 102 LEU C C 102 178.566 178.566 179.278 -0.712 25538 4800 1 10 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.727 1.016 25538 4801 1 10 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.184 0.262 25538 4802 1 10 . 1 1 102 102 LEU H H 102 8.471 8.471 8.250 0.221 25538 4803 1 10 . 1 1 103 103 ARG N N 103 117.180 117.180 115.219 1.961 25538 4804 1 10 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.074 -0.104 25538 4805 1 10 . 1 1 103 103 ARG C C 103 178.818 178.818 177.762 1.056 25538 4806 1 10 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.742 0.761 25538 4807 1 10 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.227 -0.011 25538 4808 1 10 . 1 1 103 103 ARG H H 103 7.933 7.933 8.170 -0.237 25538 4809 1 10 . 1 1 104 104 LYS N N 104 114.206 114.206 115.690 -1.484 25538 4810 1 10 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.406 -0.190 25538 4811 1 10 . 1 1 104 104 LYS C C 104 177.556 177.556 176.170 1.386 25538 4812 1 10 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.711 1.042 25538 4813 1 10 . 1 1 104 104 LYS CB C 104 34.100 34.100 33.183 0.917 25538 4814 1 10 . 1 1 104 104 LYS H H 104 7.171 7.171 7.630 -0.459 25538 4815 1 10 . 1 1 105 105 ASN N N 105 114.097 114.097 117.276 -3.179 25538 4816 1 10 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.987 -0.256 25538 4817 1 10 . 1 1 105 105 ASN C C 105 172.822 172.822 173.882 -1.060 25538 4818 1 10 . 1 1 105 105 ASN CA C 105 54.843 54.843 53.835 1.008 25538 4819 1 10 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.474 0.867 25538 4820 1 10 . 1 1 105 105 ASN H H 105 7.661 7.661 7.971 -0.310 25538 4821 1 10 . 1 1 106 106 LEU N N 106 118.656 118.656 119.249 -0.593 25538 4822 1 10 . 1 1 106 106 LEU HA H 106 4.671 4.671 5.183 -0.512 25538 4823 1 10 . 1 1 106 106 LEU C C 106 175.658 175.658 177.834 -2.176 25538 4824 1 10 . 1 1 106 106 LEU CA C 106 54.158 54.158 52.240 1.918 25538 4825 1 10 . 1 1 106 106 LEU CB C 106 43.610 43.610 45.176 -1.567 25538 4826 1 10 . 1 1 106 106 LEU H H 106 7.440 7.440 8.270 -0.830 25538 4827 1 10 . 1 1 107 107 VAL N N 107 122.765 122.765 117.495 5.270 25538 4828 1 10 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.289 -0.075 25538 4829 1 10 . 1 1 107 107 VAL C C 107 176.054 176.054 175.352 0.702 25538 4830 1 10 . 1 1 107 107 VAL CA C 107 62.143 62.143 61.880 0.263 25538 4831 1 10 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.882 3.674 25538 4832 1 10 . 1 1 107 107 VAL H H 107 8.158 8.158 8.419 -0.261 25538 4833 1 10 . 1 1 108 108 THR N N 108 120.921 120.921 115.176 5.745 25538 4834 1 10 . 1 1 108 108 THR HA H 108 4.332 4.332 3.942 0.390 25538 4835 1 10 . 1 1 108 108 THR C C 108 174.216 174.216 173.821 0.395 25538 4836 1 10 . 1 1 108 108 THR CA C 108 62.726 62.726 62.759 -0.033 25538 4837 1 10 . 1 1 108 108 THR CB C 108 69.777 69.777 67.873 1.904 25538 4838 1 10 . 1 1 108 108 THR H H 108 8.524 8.524 7.681 0.843 25538 4839 1 10 . 1 1 109 109 LEU N N 109 125.518 125.518 122.946 2.572 25538 4840 1 10 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.422 -0.067 25538 4841 1 10 . 1 1 109 109 LEU C C 109 176.523 176.523 176.005 0.518 25538 4842 1 10 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.784 0.263 25538 4843 1 10 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.604 -0.014 25538 4844 1 10 . 1 1 109 109 LEU H H 109 8.312 8.312 7.958 0.354 25538 4845 1 10 . 1 1 110 110 ALA N N 110 125.099 125.099 125.760 -0.661 25538 4846 1 10 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.696 -0.330 25538 4847 1 10 . 1 1 110 110 ALA C C 110 176.847 176.847 176.058 0.789 25538 4848 1 10 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.919 0.709 25538 4849 1 10 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.843 -1.137 25538 4850 1 10 . 1 1 110 110 ALA H H 110 8.257 8.257 8.350 -0.093 25538 4851 1 11 . 1 1 24 24 ILE N N 24 120.669 120.669 122.226 -1.557 25538 4852 1 11 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.160 -0.013 25538 4853 1 11 . 1 1 24 24 ILE C C 24 175.650 175.650 176.153 -0.503 25538 4854 1 11 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.036 0.306 25538 4855 1 11 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.134 1.843 25538 4856 1 11 . 1 1 24 24 ILE H H 24 8.122 8.122 8.428 -0.306 25538 4857 1 11 . 1 1 25 25 ASN N N 25 121.886 121.886 123.456 -1.570 25538 4858 1 11 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.665 0.037 25538 4859 1 11 . 1 1 25 25 ASN C C 25 174.775 174.775 174.554 0.221 25538 4860 1 11 . 1 1 25 25 ASN CA C 25 53.730 53.730 54.213 -0.483 25538 4861 1 11 . 1 1 25 25 ASN CB C 25 39.301 39.301 38.842 0.459 25538 4862 1 11 . 1 1 25 25 ASN H H 25 8.436 8.436 8.823 -0.387 25538 4863 1 11 . 1 1 26 26 GLN N N 26 118.706 118.706 119.041 -0.335 25538 4864 1 11 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.548 0.034 25538 4865 1 11 . 1 1 26 26 GLN C C 26 175.291 175.291 173.694 1.597 25538 4866 1 11 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.215 0.425 25538 4867 1 11 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.971 2.247 25538 4868 1 11 . 1 1 26 26 GLN H H 26 8.208 8.208 7.994 0.214 25538 4869 1 11 . 1 1 27 27 VAL N N 27 113.658 113.658 120.518 -6.860 25538 4870 1 11 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.245 0.631 25538 4871 1 11 . 1 1 27 27 VAL C C 27 173.900 173.900 173.760 0.140 25538 4872 1 11 . 1 1 27 27 VAL CA C 27 59.116 59.116 63.144 -4.028 25538 4873 1 11 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.344 1.670 25538 4874 1 11 . 1 1 27 27 VAL H H 27 9.401 9.401 8.342 1.059 25538 4875 1 11 . 1 1 28 28 ARG N N 28 121.535 121.535 125.879 -4.344 25538 4876 1 11 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.781 0.676 25538 4877 1 11 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.362 -0.791 25538 4878 1 11 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.151 1.500 25538 4879 1 11 . 1 1 28 28 ARG H H 28 8.904 8.904 8.403 0.501 25538 4880 1 11 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.770 0.239 25538 4881 1 11 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.551 0.389 25538 4882 1 11 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.589 -1.335 25538 4883 1 11 . 1 1 30 30 LYS N N 30 121.258 121.258 119.042 2.216 25538 4884 1 11 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.436 -0.235 25538 4885 1 11 . 1 1 30 30 LYS C C 30 177.557 177.557 177.696 -0.139 25538 4886 1 11 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.841 2.544 25538 4887 1 11 . 1 1 30 30 LYS CB C 30 33.850 33.850 33.940 -0.090 25538 4888 1 11 . 1 1 30 30 LYS H H 30 8.477 8.477 8.284 0.193 25538 4889 1 11 . 1 1 31 31 LEU N N 31 121.577 121.577 127.159 -5.582 25538 4890 1 11 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.245 -0.183 25538 4891 1 11 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.075 1.121 25538 4892 1 11 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.986 -0.211 25538 4893 1 11 . 1 1 31 31 LEU H H 31 8.599 8.599 8.934 -0.335 25538 4894 1 11 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.156 -0.019 25538 4895 1 11 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.748 0.737 25538 4896 1 11 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.080 0.506 25538 4897 1 11 . 1 1 33 33 LEU N N 33 113.299 113.299 119.093 -5.794 25538 4898 1 11 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.135 -0.160 25538 4899 1 11 . 1 1 33 33 LEU C C 33 177.726 177.726 178.391 -0.665 25538 4900 1 11 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.582 -0.442 25538 4901 1 11 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.297 -0.467 25538 4902 1 11 . 1 1 33 33 LEU H H 33 6.610 6.610 7.549 -0.939 25538 4903 1 11 . 1 1 34 34 LEU N N 34 121.730 121.730 121.599 0.131 25538 4904 1 11 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.840 -0.444 25538 4905 1 11 . 1 1 34 34 LEU C C 34 177.467 177.467 178.266 -0.799 25538 4906 1 11 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.514 -0.253 25538 4907 1 11 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.761 0.075 25538 4908 1 11 . 1 1 34 34 LEU H H 34 8.411 8.411 8.800 -0.389 25538 4909 1 11 . 1 1 35 35 LYS N N 35 114.927 114.927 117.598 -2.671 25538 4910 1 11 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.902 -0.098 25538 4911 1 11 . 1 1 35 35 LYS C C 35 180.207 180.207 179.002 1.205 25538 4912 1 11 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.760 1.380 25538 4913 1 11 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.599 0.970 25538 4914 1 11 . 1 1 35 35 LYS H H 35 7.964 7.964 7.980 -0.016 25538 4915 1 11 . 1 1 36 36 ILE N N 36 119.935 119.935 119.955 -0.020 25538 4916 1 11 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.399 -0.096 25538 4917 1 11 . 1 1 36 36 ILE C C 36 176.418 176.418 178.013 -1.595 25538 4918 1 11 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.898 1.585 25538 4919 1 11 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.295 1.334 25538 4920 1 11 . 1 1 36 36 ILE H H 36 6.739 6.739 7.079 -0.340 25538 4921 1 11 . 1 1 37 37 LEU N N 37 116.682 116.682 120.762 -4.080 25538 4922 1 11 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.423 0.105 25538 4923 1 11 . 1 1 37 37 LEU C C 37 180.263 180.263 179.032 1.231 25538 4924 1 11 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.335 -0.110 25538 4925 1 11 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.723 -1.581 25538 4926 1 11 . 1 1 37 37 LEU H H 37 7.633 7.633 8.025 -0.392 25538 4927 1 11 . 1 1 38 38 HIS N N 38 117.463 117.463 117.782 -0.319 25538 4928 1 11 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.107 0.575 25538 4929 1 11 . 1 1 38 38 HIS C C 38 179.936 179.936 177.838 2.098 25538 4930 1 11 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.062 -1.771 25538 4931 1 11 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.851 0.881 25538 4932 1 11 . 1 1 38 38 HIS H H 38 8.932 8.932 8.631 0.301 25538 4933 1 11 . 1 1 39 39 ALA N N 39 124.102 124.102 121.681 2.421 25538 4934 1 11 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.131 0.120 25538 4935 1 11 . 1 1 39 39 ALA C C 39 178.764 178.764 178.616 0.148 25538 4936 1 11 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.205 0.918 25538 4937 1 11 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.625 -0.514 25538 4938 1 11 . 1 1 39 39 ALA H H 39 7.951 7.951 8.036 -0.085 25538 4939 1 11 . 1 1 40 40 ALA N N 40 118.164 118.164 118.726 -0.562 25538 4940 1 11 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.351 0.070 25538 4941 1 11 . 1 1 40 40 ALA C C 40 176.261 176.261 177.462 -1.201 25538 4942 1 11 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.736 -0.600 25538 4943 1 11 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.294 1.818 25538 4944 1 11 . 1 1 40 40 ALA H H 40 7.647 7.647 8.057 -0.410 25538 4945 1 11 . 1 1 41 41 GLY N N 41 103.894 103.894 104.241 -0.347 25538 4946 1 11 . 1 1 41 41 GLY C C 41 174.412 174.412 174.126 0.286 25538 4947 1 11 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.605 0.249 25538 4948 1 11 . 1 1 41 41 GLY H H 41 7.677 7.677 7.750 -0.073 25538 4949 1 11 . 1 1 42 42 ALA N N 42 123.549 123.549 122.091 1.458 25538 4950 1 11 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.265 -0.635 25538 4951 1 11 . 1 1 42 42 ALA C C 42 175.956 175.956 175.399 0.557 25538 4952 1 11 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.437 1.243 25538 4953 1 11 . 1 1 42 42 ALA CB C 42 19.233 19.233 19.491 -0.258 25538 4954 1 11 . 1 1 42 42 ALA H H 42 7.559 7.559 7.670 -0.111 25538 4955 1 11 . 1 1 43 43 GLN N N 43 117.516 117.516 117.648 -0.132 25538 4956 1 11 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.766 0.612 25538 4957 1 11 . 1 1 43 43 GLN C C 43 175.528 175.528 175.624 -0.096 25538 4958 1 11 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.276 -0.657 25538 4959 1 11 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.882 1.314 25538 4960 1 11 . 1 1 43 43 GLN H H 43 8.531 8.531 8.372 0.159 25538 4961 1 11 . 1 1 44 44 GLY N N 44 108.084 108.084 111.647 -3.563 25538 4962 1 11 . 1 1 44 44 GLY C C 44 174.073 174.073 173.852 0.221 25538 4963 1 11 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.119 -0.496 25538 4964 1 11 . 1 1 44 44 GLY H H 44 8.535 8.535 8.252 0.283 25538 4965 1 11 . 1 1 45 45 GLU N N 45 114.485 114.485 117.383 -2.898 25538 4966 1 11 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.237 0.373 25538 4967 1 11 . 1 1 45 45 GLU C C 45 174.007 174.007 174.673 -0.666 25538 4968 1 11 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.498 1.352 25538 4969 1 11 . 1 1 45 45 GLU CB C 45 33.035 33.035 29.981 3.054 25538 4970 1 11 . 1 1 45 45 GLU H H 45 8.293 8.293 8.543 -0.250 25538 4971 1 11 . 1 1 46 46 MET N N 46 115.370 115.370 119.122 -3.752 25538 4972 1 11 . 1 1 46 46 MET HA H 46 5.047 5.047 4.314 0.733 25538 4973 1 11 . 1 1 46 46 MET C C 46 174.637 174.637 173.726 0.911 25538 4974 1 11 . 1 1 46 46 MET CA C 46 54.239 54.239 55.026 -0.787 25538 4975 1 11 . 1 1 46 46 MET CB C 46 35.727 35.727 34.918 0.809 25538 4976 1 11 . 1 1 46 46 MET H H 46 6.871 6.871 7.094 -0.223 25538 4977 1 11 . 1 1 47 47 PHE N N 47 118.922 118.922 121.719 -2.797 25538 4978 1 11 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.876 0.228 25538 4979 1 11 . 1 1 47 47 PHE C C 47 175.742 175.742 174.685 1.057 25538 4980 1 11 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.971 2.394 25538 4981 1 11 . 1 1 47 47 PHE CB C 47 46.882 46.882 41.342 5.540 25538 4982 1 11 . 1 1 47 47 PHE H H 47 8.611 8.611 7.925 0.686 25538 4983 1 11 . 1 1 48 48 THR N N 48 110.603 110.603 112.425 -1.822 25538 4984 1 11 . 1 1 48 48 THR HA H 48 4.982 4.982 4.497 0.485 25538 4985 1 11 . 1 1 48 48 THR C C 48 176.666 176.666 176.512 0.154 25538 4986 1 11 . 1 1 48 48 THR CA C 48 61.021 61.021 60.748 0.273 25538 4987 1 11 . 1 1 48 48 THR CB C 48 71.136 71.136 69.946 1.190 25538 4988 1 11 . 1 1 48 48 THR H H 48 9.113 9.113 7.967 1.146 25538 4989 1 11 . 1 1 49 49 VAL N N 49 121.595 121.595 121.434 0.161 25538 4990 1 11 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.625 -0.232 25538 4991 1 11 . 1 1 49 49 VAL C C 49 177.726 177.726 178.054 -0.328 25538 4992 1 11 . 1 1 49 49 VAL CA C 49 68.209 68.209 67.707 0.502 25538 4993 1 11 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.059 0.302 25538 4994 1 11 . 1 1 49 49 VAL H H 49 9.074 9.074 8.942 0.132 25538 4995 1 11 . 1 1 50 50 LYS N N 50 118.504 118.504 118.173 0.331 25538 4996 1 11 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.020 -0.061 25538 4997 1 11 . 1 1 50 50 LYS C C 50 180.060 180.060 179.292 0.768 25538 4998 1 11 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.621 0.299 25538 4999 1 11 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.881 0.926 25538 5000 1 11 . 1 1 50 50 LYS H H 50 8.131 8.131 8.573 -0.442 25538 5001 1 11 . 1 1 51 51 GLU N N 51 119.547 119.547 119.519 0.028 25538 5002 1 11 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.101 -0.063 25538 5003 1 11 . 1 1 51 51 GLU C C 51 178.583 178.583 178.825 -0.242 25538 5004 1 11 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.674 1.182 25538 5005 1 11 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.659 1.743 25538 5006 1 11 . 1 1 51 51 GLU H H 51 7.882 7.882 7.722 0.160 25538 5007 1 11 . 1 1 52 52 VAL N N 52 119.078 119.078 121.387 -2.309 25538 5008 1 11 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.617 -0.363 25538 5009 1 11 . 1 1 52 52 VAL C C 52 177.546 177.546 178.516 -0.970 25538 5010 1 11 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.878 0.983 25538 5011 1 11 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.785 -0.554 25538 5012 1 11 . 1 1 52 52 VAL H H 52 8.258 8.258 8.693 -0.435 25538 5013 1 11 . 1 1 53 53 MET N N 53 114.606 114.606 116.366 -1.760 25538 5014 1 11 . 1 1 53 53 MET HA H 53 4.231 4.231 4.171 0.060 25538 5015 1 11 . 1 1 53 53 MET C C 53 178.640 178.640 178.543 0.097 25538 5016 1 11 . 1 1 53 53 MET CA C 53 57.902 57.902 56.789 1.113 25538 5017 1 11 . 1 1 53 53 MET CB C 53 32.640 32.640 30.785 1.855 25538 5018 1 11 . 1 1 53 53 MET H H 53 8.201 8.201 8.328 -0.127 25538 5019 1 11 . 1 1 54 54 HIS N N 54 118.707 118.707 121.263 -2.556 25538 5020 1 11 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.113 0.033 25538 5021 1 11 . 1 1 54 54 HIS C C 54 178.531 178.531 177.416 1.115 25538 5022 1 11 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.898 -0.886 25538 5023 1 11 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.715 0.445 25538 5024 1 11 . 1 1 54 54 HIS H H 54 8.122 8.122 7.695 0.427 25538 5025 1 11 . 1 1 55 55 TYR N N 55 116.875 116.875 118.274 -1.399 25538 5026 1 11 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.153 -0.285 25538 5027 1 11 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.343 2.394 25538 5028 1 11 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.599 1.435 25538 5029 1 11 . 1 1 55 55 TYR H H 55 8.480 8.480 8.463 0.017 25538 5030 1 11 . 1 1 56 56 LEU N N 56 120.976 120.976 120.141 0.835 25538 5031 1 11 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.890 -0.059 25538 5032 1 11 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.940 0.423 25538 5033 1 11 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.433 0.959 25538 5034 1 11 . 1 1 56 56 LEU H H 56 8.452 8.452 8.379 0.073 25538 5035 1 11 . 1 1 57 57 GLY N N 57 105.050 105.050 106.727 -1.677 25538 5036 1 11 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.017 0.129 25538 5037 1 11 . 1 1 57 57 GLY H H 57 7.710 7.710 8.370 -0.660 25538 5038 1 11 . 1 1 58 58 GLN N N 58 119.017 119.017 122.006 -2.989 25538 5039 1 11 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.818 0.009 25538 5040 1 11 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.209 -0.531 25538 5041 1 11 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.551 0.324 25538 5042 1 11 . 1 1 58 58 GLN H H 58 7.649 7.649 8.176 -0.527 25538 5043 1 11 . 1 1 59 59 TYR N N 59 120.995 120.995 121.129 -0.134 25538 5044 1 11 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.185 -0.381 25538 5045 1 11 . 1 1 59 59 TYR C C 59 176.215 176.215 177.852 -1.637 25538 5046 1 11 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.133 0.432 25538 5047 1 11 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.534 0.069 25538 5048 1 11 . 1 1 59 59 TYR H H 59 8.500 8.500 8.403 0.097 25538 5049 1 11 . 1 1 60 60 ILE N N 60 116.781 116.781 120.200 -3.419 25538 5050 1 11 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.576 -0.301 25538 5051 1 11 . 1 1 60 60 ILE C C 60 177.952 177.952 178.239 -0.287 25538 5052 1 11 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.843 -0.173 25538 5053 1 11 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.870 0.688 25538 5054 1 11 . 1 1 60 60 ILE H H 60 7.612 7.612 8.446 -0.834 25538 5055 1 11 . 1 1 61 61 MET N N 61 115.626 115.626 117.988 -2.362 25538 5056 1 11 . 1 1 61 61 MET HA H 61 4.529 4.529 4.270 0.259 25538 5057 1 11 . 1 1 61 61 MET C C 61 180.579 180.579 178.411 2.168 25538 5058 1 11 . 1 1 61 61 MET CA C 61 57.662 57.662 58.173 -0.511 25538 5059 1 11 . 1 1 61 61 MET CB C 61 31.449 31.449 32.018 -0.569 25538 5060 1 11 . 1 1 61 61 MET H H 61 7.717 7.717 8.028 -0.311 25538 5061 1 11 . 1 1 62 62 VAL N N 62 120.907 120.907 118.749 2.158 25538 5062 1 11 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.796 0.033 25538 5063 1 11 . 1 1 62 62 VAL C C 62 178.786 178.786 177.896 0.890 25538 5064 1 11 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.448 0.553 25538 5065 1 11 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.737 0.246 25538 5066 1 11 . 1 1 62 62 VAL H H 62 9.021 9.021 8.241 0.780 25538 5067 1 11 . 1 1 63 63 LYS N N 63 116.704 116.704 116.885 -0.181 25538 5068 1 11 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.270 -0.213 25538 5069 1 11 . 1 1 63 63 LYS C C 63 174.784 174.784 175.858 -1.074 25538 5070 1 11 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.251 0.832 25538 5071 1 11 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.454 -1.122 25538 5072 1 11 . 1 1 63 63 LYS H H 63 7.824 7.824 7.870 -0.046 25538 5073 1 11 . 1 1 64 64 GLN N N 64 115.371 115.371 114.886 0.485 25538 5074 1 11 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.189 -0.568 25538 5075 1 11 . 1 1 64 64 GLN C C 64 175.550 175.550 175.829 -0.279 25538 5076 1 11 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.227 0.752 25538 5077 1 11 . 1 1 64 64 GLN CB C 64 26.248 26.248 26.172 0.076 25538 5078 1 11 . 1 1 64 64 GLN H H 64 7.653 7.653 8.102 -0.449 25538 5079 1 11 . 1 1 65 65 LEU N N 65 115.332 115.332 120.910 -5.578 25538 5080 1 11 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.545 -0.110 25538 5081 1 11 . 1 1 65 65 LEU C C 65 175.979 175.979 175.747 0.232 25538 5082 1 11 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.472 1.129 25538 5083 1 11 . 1 1 65 65 LEU CB C 65 41.936 41.936 39.329 2.607 25538 5084 1 11 . 1 1 65 65 LEU H H 65 8.059 8.059 8.193 -0.134 25538 5085 1 11 . 1 1 66 66 TYR N N 66 113.240 113.240 116.155 -2.915 25538 5086 1 11 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.098 0.162 25538 5087 1 11 . 1 1 66 66 TYR C C 66 174.107 174.107 174.095 0.012 25538 5088 1 11 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.285 -0.612 25538 5089 1 11 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.954 -1.195 25538 5090 1 11 . 1 1 66 66 TYR H H 66 6.845 6.845 7.543 -0.698 25538 5091 1 11 . 1 1 67 67 ASP N N 67 122.255 122.255 120.338 1.917 25538 5092 1 11 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.824 -0.389 25538 5093 1 11 . 1 1 67 67 ASP C C 67 176.779 176.779 177.422 -0.643 25538 5094 1 11 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.749 1.037 25538 5095 1 11 . 1 1 67 67 ASP CB C 67 43.359 43.359 44.014 -0.655 25538 5096 1 11 . 1 1 67 67 ASP H H 67 8.341 8.341 8.182 0.159 25538 5097 1 11 . 1 1 68 68 GLN N N 68 123.090 123.090 124.054 -0.964 25538 5098 1 11 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.161 -0.280 25538 5099 1 11 . 1 1 68 68 GLN C C 68 177.122 177.122 176.593 0.529 25538 5100 1 11 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.250 0.639 25538 5101 1 11 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.644 0.421 25538 5102 1 11 . 1 1 68 68 GLN H H 68 8.552 8.552 8.678 -0.126 25538 5103 1 11 . 1 1 69 69 GLN N N 69 115.295 115.295 119.191 -3.896 25538 5104 1 11 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.461 -0.122 25538 5105 1 11 . 1 1 69 69 GLN C C 69 176.272 176.272 176.811 -0.539 25538 5106 1 11 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.867 0.068 25538 5107 1 11 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.571 -0.655 25538 5108 1 11 . 1 1 69 69 GLN H H 69 8.347 8.347 8.482 -0.135 25538 5109 1 11 . 1 1 70 70 GLU N N 70 122.341 122.341 122.629 -0.288 25538 5110 1 11 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.582 -0.091 25538 5111 1 11 . 1 1 70 70 GLU C C 70 175.832 175.832 176.297 -0.465 25538 5112 1 11 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.064 0.022 25538 5113 1 11 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.419 1.119 25538 5114 1 11 . 1 1 70 70 GLU H H 70 8.237 8.237 8.658 -0.421 25538 5115 1 11 . 1 1 71 71 GLN N N 71 119.185 119.185 119.237 -0.052 25538 5116 1 11 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.327 0.174 25538 5117 1 11 . 1 1 71 71 GLN C C 71 173.848 173.848 176.262 -2.414 25538 5118 1 11 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.038 1.762 25538 5119 1 11 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.970 -0.788 25538 5120 1 11 . 1 1 71 71 GLN H H 71 8.206 8.206 7.843 0.363 25538 5121 1 11 . 1 1 72 72 HIS N N 72 109.549 109.549 111.985 -2.436 25538 5122 1 11 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.537 -0.357 25538 5123 1 11 . 1 1 72 72 HIS C C 72 175.790 175.790 174.371 1.419 25538 5124 1 11 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.174 1.107 25538 5125 1 11 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.692 1.383 25538 5126 1 11 . 1 1 72 72 HIS H H 72 7.383 7.383 8.153 -0.770 25538 5127 1 11 . 1 1 73 73 MET N N 73 119.174 119.174 120.792 -1.618 25538 5128 1 11 . 1 1 73 73 MET HA H 73 4.570 4.570 4.624 -0.054 25538 5129 1 11 . 1 1 73 73 MET C C 73 174.242 174.242 173.872 0.370 25538 5130 1 11 . 1 1 73 73 MET CA C 73 53.027 53.027 53.871 -0.844 25538 5131 1 11 . 1 1 73 73 MET CB C 73 31.709 31.709 34.340 -2.631 25538 5132 1 11 . 1 1 73 73 MET H H 73 7.655 7.655 7.466 0.189 25538 5133 1 11 . 1 1 74 74 VAL N N 74 122.522 122.522 126.275 -3.753 25538 5134 1 11 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.226 -0.303 25538 5135 1 11 . 1 1 74 74 VAL C C 74 174.851 174.851 174.590 0.261 25538 5136 1 11 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.212 0.182 25538 5137 1 11 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.207 0.580 25538 5138 1 11 . 1 1 74 74 VAL H H 74 8.443 8.443 8.700 -0.257 25538 5139 1 11 . 1 1 75 75 TYR N N 75 125.773 125.773 124.490 1.283 25538 5140 1 11 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.058 -0.306 25538 5141 1 11 . 1 1 75 75 TYR C C 75 174.923 174.923 176.551 -1.628 25538 5142 1 11 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.583 1.229 25538 5143 1 11 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.667 -0.034 25538 5144 1 11 . 1 1 75 75 TYR H H 75 8.256 8.256 8.964 -0.708 25538 5145 1 11 . 1 1 76 76 CYS N N 76 116.702 116.702 123.558 -6.856 25538 5146 1 11 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.448 0.299 25538 5147 1 11 . 1 1 76 76 CYS C C 76 174.231 174.231 176.793 -2.562 25538 5148 1 11 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.775 -3.672 25538 5149 1 11 . 1 1 76 76 CYS CB C 76 29.589 29.589 24.951 4.638 25538 5150 1 11 . 1 1 76 76 CYS H H 76 8.266 8.266 8.573 -0.307 25538 5151 1 11 . 1 1 77 77 GLY N N 77 111.675 111.675 110.534 1.141 25538 5152 1 11 . 1 1 77 77 GLY C C 77 174.662 174.662 174.716 -0.054 25538 5153 1 11 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.201 -0.052 25538 5154 1 11 . 1 1 77 77 GLY H H 77 8.483 8.483 7.829 0.654 25538 5155 1 11 . 1 1 78 78 GLY N N 78 113.022 113.022 108.136 4.886 25538 5156 1 11 . 1 1 78 78 GLY C C 78 172.811 172.811 173.413 -0.602 25538 5157 1 11 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.132 1.620 25538 5158 1 11 . 1 1 78 78 GLY H H 78 8.892 8.892 8.099 0.793 25538 5159 1 11 . 1 1 79 79 ASP N N 79 119.457 119.457 120.970 -1.513 25538 5160 1 11 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.818 0.074 25538 5161 1 11 . 1 1 79 79 ASP C C 79 176.302 176.302 177.483 -1.181 25538 5162 1 11 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.160 -0.112 25538 5163 1 11 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.512 3.759 25538 5164 1 11 . 1 1 79 79 ASP H H 79 7.795 7.795 7.864 -0.069 25538 5165 1 11 . 1 1 80 80 LEU N N 80 128.421 128.421 124.649 3.772 25538 5166 1 11 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.084 -0.020 25538 5167 1 11 . 1 1 80 80 LEU C C 80 179.059 179.059 178.754 0.305 25538 5168 1 11 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.898 0.625 25538 5169 1 11 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.232 0.415 25538 5170 1 11 . 1 1 80 80 LEU H H 80 8.549 8.549 8.715 -0.166 25538 5171 1 11 . 1 1 81 81 LEU N N 81 118.678 118.678 119.697 -1.019 25538 5172 1 11 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.079 -0.212 25538 5173 1 11 . 1 1 81 81 LEU C C 81 178.542 178.542 178.293 0.249 25538 5174 1 11 . 1 1 81 81 LEU CA C 81 58.526 58.526 57.944 0.582 25538 5175 1 11 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.515 1.134 25538 5176 1 11 . 1 1 81 81 LEU H H 81 9.974 9.974 8.876 1.098 25538 5177 1 11 . 1 1 82 82 GLY N N 82 105.642 105.642 106.312 -0.670 25538 5178 1 11 . 1 1 82 82 GLY C C 82 176.907 176.907 176.350 0.557 25538 5179 1 11 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.233 0.760 25538 5180 1 11 . 1 1 82 82 GLY H H 82 7.543 7.543 8.178 -0.635 25538 5181 1 11 . 1 1 83 83 GLU N N 83 121.762 121.762 122.222 -0.460 25538 5182 1 11 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.026 -0.044 25538 5183 1 11 . 1 1 83 83 GLU C C 83 179.215 179.215 179.346 -0.131 25538 5184 1 11 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.253 -0.092 25538 5185 1 11 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.444 0.027 25538 5186 1 11 . 1 1 83 83 GLU H H 83 7.537 7.537 8.345 -0.808 25538 5187 1 11 . 1 1 84 84 LEU N N 84 118.478 118.478 119.670 -1.192 25538 5188 1 11 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.070 -0.046 25538 5189 1 11 . 1 1 84 84 LEU C C 84 178.842 178.842 178.445 0.397 25538 5190 1 11 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.312 0.163 25538 5191 1 11 . 1 1 84 84 LEU CB C 84 42.392 42.392 42.044 0.347 25538 5192 1 11 . 1 1 84 84 LEU H H 84 7.717 7.717 8.072 -0.355 25538 5193 1 11 . 1 1 85 85 LEU N N 85 115.268 115.268 113.018 2.250 25538 5194 1 11 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.252 -0.475 25538 5195 1 11 . 1 1 85 85 LEU C C 85 177.773 177.773 177.965 -0.192 25538 5196 1 11 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.051 0.324 25538 5197 1 11 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.667 1.226 25538 5198 1 11 . 1 1 85 85 LEU H H 85 8.091 8.091 7.866 0.225 25538 5199 1 11 . 1 1 86 86 GLY N N 86 107.339 107.339 106.906 0.433 25538 5200 1 11 . 1 1 86 86 GLY C C 86 174.143 174.143 174.352 -0.209 25538 5201 1 11 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.051 1.264 25538 5202 1 11 . 1 1 86 86 GLY H H 86 7.993 7.993 8.084 -0.091 25538 5203 1 11 . 1 1 87 87 ARG N N 87 113.292 113.292 119.647 -6.355 25538 5204 1 11 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.640 0.014 25538 5205 1 11 . 1 1 87 87 ARG C C 87 174.720 174.720 175.425 -0.705 25538 5206 1 11 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.123 -0.963 25538 5207 1 11 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.576 1.880 25538 5208 1 11 . 1 1 87 87 ARG H H 87 7.407 7.407 7.474 -0.067 25538 5209 1 11 . 1 1 88 88 GLN N N 88 116.042 116.042 122.667 -6.625 25538 5210 1 11 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.327 -0.281 25538 5211 1 11 . 1 1 88 88 GLN C C 88 175.946 175.946 174.752 1.194 25538 5212 1 11 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.447 -0.272 25538 5213 1 11 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.432 0.358 25538 5214 1 11 . 1 1 88 88 GLN H H 88 8.660 8.660 8.703 -0.043 25538 5215 1 11 . 1 1 89 89 SER N N 89 110.533 110.533 110.668 -0.135 25538 5216 1 11 . 1 1 89 89 SER HA H 89 5.431 5.431 4.717 0.714 25538 5217 1 11 . 1 1 89 89 SER C C 89 173.062 173.062 172.935 0.127 25538 5218 1 11 . 1 1 89 89 SER CA C 89 57.019 57.019 57.014 0.005 25538 5219 1 11 . 1 1 89 89 SER CB C 89 66.577 66.577 65.615 0.962 25538 5220 1 11 . 1 1 89 89 SER H H 89 7.620 7.620 7.451 0.169 25538 5221 1 11 . 1 1 90 90 PHE N N 90 115.219 115.219 116.127 -0.908 25538 5222 1 11 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.892 -0.197 25538 5223 1 11 . 1 1 90 90 PHE C C 90 175.233 175.233 172.754 2.479 25538 5224 1 11 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.987 0.108 25538 5225 1 11 . 1 1 90 90 PHE CB C 90 40.346 40.346 39.903 0.443 25538 5226 1 11 . 1 1 90 90 PHE H H 90 8.557 8.557 7.555 1.002 25538 5227 1 11 . 1 1 91 91 SER N N 91 113.681 113.681 113.702 -0.021 25538 5228 1 11 . 1 1 91 91 SER HA H 91 5.391 5.391 5.205 0.186 25538 5229 1 11 . 1 1 91 91 SER CA C 91 54.564 54.564 56.117 -1.553 25538 5230 1 11 . 1 1 91 91 SER CB C 91 65.366 65.366 67.255 -1.889 25538 5231 1 11 . 1 1 91 91 SER H H 91 9.006 9.006 8.197 0.809 25538 5232 1 11 . 1 1 92 92 VAL N N 92 121.388 121.388 120.720 0.668 25538 5233 1 11 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.934 0.009 25538 5234 1 11 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.282 -1.087 25538 5235 1 11 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.516 -0.285 25538 5236 1 11 . 1 1 92 92 VAL H H 92 8.983 8.983 8.872 0.111 25538 5237 1 11 . 1 1 93 93 LYS N N 93 116.161 116.161 118.474 -2.313 25538 5238 1 11 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.287 -0.304 25538 5239 1 11 . 1 1 93 93 LYS C C 93 177.088 177.088 176.284 0.804 25538 5240 1 11 . 1 1 93 93 LYS CA C 93 57.181 57.181 57.477 -0.296 25538 5241 1 11 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.045 -0.921 25538 5242 1 11 . 1 1 93 93 LYS H H 93 8.078 8.078 7.515 0.563 25538 5243 1 11 . 1 1 94 94 ASP N N 94 115.406 115.406 118.184 -2.778 25538 5244 1 11 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.018 -0.069 25538 5245 1 11 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.282 0.275 25538 5246 1 11 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.243 0.202 25538 5247 1 11 . 1 1 94 94 ASP H H 94 7.385 7.385 8.031 -0.646 25538 5248 1 11 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.781 -0.344 25538 5249 1 11 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.442 0.447 25538 5250 1 11 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.040 0.720 25538 5251 1 11 . 1 1 96 96 SER N N 96 118.819 118.819 116.838 1.981 25538 5252 1 11 . 1 1 96 96 SER HA H 96 4.220 4.220 4.250 -0.030 25538 5253 1 11 . 1 1 96 96 SER CA C 96 64.406 64.406 63.481 0.925 25538 5254 1 11 . 1 1 96 96 SER CB C 96 61.862 61.862 61.911 -0.049 25538 5255 1 11 . 1 1 96 96 SER H H 96 8.104 8.104 8.047 0.057 25538 5256 1 11 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.291 0.058 25538 5257 1 11 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.362 0.549 25538 5258 1 11 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.312 0.183 25538 5259 1 11 . 1 1 98 98 LEU N N 98 118.063 118.063 120.189 -2.126 25538 5260 1 11 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.787 -0.184 25538 5261 1 11 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.764 -0.663 25538 5262 1 11 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.612 -0.216 25538 5263 1 11 . 1 1 98 98 LEU H H 98 7.087 7.087 7.508 -0.421 25538 5264 1 11 . 1 1 99 99 TYR N N 99 118.063 118.063 118.817 -0.754 25538 5265 1 11 . 1 1 99 99 TYR HA H 99 4.144 4.144 3.992 0.152 25538 5266 1 11 . 1 1 99 99 TYR C C 99 178.914 178.914 177.930 0.984 25538 5267 1 11 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.680 -1.412 25538 5268 1 11 . 1 1 99 99 TYR CB C 99 36.968 36.968 38.000 -1.032 25538 5269 1 11 . 1 1 99 99 TYR H H 99 7.594 7.594 8.153 -0.559 25538 5270 1 11 . 1 1 100 100 ASP N N 100 119.682 119.682 119.867 -0.185 25538 5271 1 11 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.313 0.013 25538 5272 1 11 . 1 1 100 100 ASP C C 100 177.737 177.737 178.227 -0.490 25538 5273 1 11 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.252 0.623 25538 5274 1 11 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.885 0.203 25538 5275 1 11 . 1 1 100 100 ASP H H 100 8.315 8.315 8.273 0.042 25538 5276 1 11 . 1 1 101 101 MET N N 101 118.784 118.784 119.198 -0.414 25538 5277 1 11 . 1 1 101 101 MET HA H 101 3.969 3.969 4.064 -0.095 25538 5278 1 11 . 1 1 101 101 MET C C 101 180.080 180.080 177.838 2.242 25538 5279 1 11 . 1 1 101 101 MET CA C 101 59.420 59.420 58.614 0.805 25538 5280 1 11 . 1 1 101 101 MET CB C 101 31.642 31.642 32.230 -0.588 25538 5281 1 11 . 1 1 101 101 MET H H 101 7.245 7.245 7.838 -0.593 25538 5282 1 11 . 1 1 102 102 LEU N N 102 121.572 121.572 120.288 1.284 25538 5283 1 11 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.818 -0.117 25538 5284 1 11 . 1 1 102 102 LEU C C 102 178.566 178.566 179.229 -0.663 25538 5285 1 11 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.769 0.974 25538 5286 1 11 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.434 0.011 25538 5287 1 11 . 1 1 102 102 LEU H H 102 8.471 8.471 8.261 0.210 25538 5288 1 11 . 1 1 103 103 ARG N N 103 117.180 117.180 114.180 3.000 25538 5289 1 11 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.265 -0.295 25538 5290 1 11 . 1 1 103 103 ARG C C 103 178.818 178.818 177.104 1.714 25538 5291 1 11 . 1 1 103 103 ARG CA C 103 59.503 59.503 57.963 1.540 25538 5292 1 11 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.379 -0.163 25538 5293 1 11 . 1 1 103 103 ARG H H 103 7.933 7.933 8.017 -0.084 25538 5294 1 11 . 1 1 104 104 LYS N N 104 114.206 114.206 115.252 -1.046 25538 5295 1 11 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.336 -0.120 25538 5296 1 11 . 1 1 104 104 LYS C C 104 177.556 177.556 176.827 0.729 25538 5297 1 11 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.151 0.602 25538 5298 1 11 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.704 1.396 25538 5299 1 11 . 1 1 104 104 LYS H H 104 7.171 7.171 7.366 -0.195 25538 5300 1 11 . 1 1 105 105 ASN N N 105 114.097 114.097 117.212 -3.115 25538 5301 1 11 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.756 -0.025 25538 5302 1 11 . 1 1 105 105 ASN C C 105 172.822 172.822 175.376 -2.554 25538 5303 1 11 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.449 -0.606 25538 5304 1 11 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.315 1.026 25538 5305 1 11 . 1 1 105 105 ASN H H 105 7.661 7.661 7.797 -0.136 25538 5306 1 11 . 1 1 106 106 LEU N N 106 118.656 118.656 115.760 2.896 25538 5307 1 11 . 1 1 106 106 LEU HA H 106 4.671 4.671 5.001 -0.330 25538 5308 1 11 . 1 1 106 106 LEU C C 106 175.658 175.658 176.539 -0.881 25538 5309 1 11 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.783 0.375 25538 5310 1 11 . 1 1 106 106 LEU CB C 106 43.610 43.610 44.824 -1.214 25538 5311 1 11 . 1 1 106 106 LEU H H 106 7.440 7.440 8.171 -0.731 25538 5312 1 11 . 1 1 107 107 VAL N N 107 122.765 122.765 114.871 7.894 25538 5313 1 11 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.124 0.090 25538 5314 1 11 . 1 1 107 107 VAL C C 107 176.054 176.054 175.980 0.074 25538 5315 1 11 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.561 -0.418 25538 5316 1 11 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.393 1.163 25538 5317 1 11 . 1 1 107 107 VAL H H 107 8.158 8.158 7.829 0.329 25538 5318 1 11 . 1 1 108 108 THR N N 108 120.921 120.921 118.271 2.650 25538 5319 1 11 . 1 1 108 108 THR HA H 108 4.332 4.332 4.209 0.123 25538 5320 1 11 . 1 1 108 108 THR C C 108 174.216 174.216 174.390 -0.174 25538 5321 1 11 . 1 1 108 108 THR CA C 108 62.726 62.726 64.107 -1.381 25538 5322 1 11 . 1 1 108 108 THR CB C 108 69.777 69.777 68.394 1.383 25538 5323 1 11 . 1 1 108 108 THR H H 108 8.524 8.524 8.276 0.248 25538 5324 1 11 . 1 1 109 109 LEU N N 109 125.518 125.518 129.443 -3.925 25538 5325 1 11 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.544 -0.189 25538 5326 1 11 . 1 1 109 109 LEU C C 109 176.523 176.523 175.214 1.309 25538 5327 1 11 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.099 0.948 25538 5328 1 11 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.593 -0.003 25538 5329 1 11 . 1 1 109 109 LEU H H 109 8.312 8.312 8.279 0.033 25538 5330 1 11 . 1 1 110 110 ALA N N 110 125.099 125.099 126.477 -1.378 25538 5331 1 11 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.833 -0.467 25538 5332 1 11 . 1 1 110 110 ALA C C 110 176.847 176.847 176.069 0.778 25538 5333 1 11 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.918 0.710 25538 5334 1 11 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.352 -1.646 25538 5335 1 11 . 1 1 110 110 ALA H H 110 8.257 8.257 8.426 -0.169 25538 5336 1 12 . 1 1 24 24 ILE N N 24 120.669 120.669 121.856 -1.187 25538 5337 1 12 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.985 0.162 25538 5338 1 12 . 1 1 24 24 ILE C C 24 175.650 175.650 176.359 -0.709 25538 5339 1 12 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.081 -0.739 25538 5340 1 12 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.892 1.085 25538 5341 1 12 . 1 1 24 24 ILE H H 24 8.122 8.122 8.519 -0.397 25538 5342 1 12 . 1 1 25 25 ASN N N 25 121.886 121.886 122.995 -1.109 25538 5343 1 12 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.737 -0.035 25538 5344 1 12 . 1 1 25 25 ASN C C 25 174.775 174.775 174.700 0.075 25538 5345 1 12 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.319 0.411 25538 5346 1 12 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.591 -0.290 25538 5347 1 12 . 1 1 25 25 ASN H H 25 8.436 8.436 8.841 -0.405 25538 5348 1 12 . 1 1 26 26 GLN N N 26 118.706 118.706 117.800 0.906 25538 5349 1 12 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.552 0.030 25538 5350 1 12 . 1 1 26 26 GLN C C 26 175.291 175.291 173.724 1.567 25538 5351 1 12 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.289 0.351 25538 5352 1 12 . 1 1 26 26 GLN CB C 26 32.218 32.218 30.243 1.975 25538 5353 1 12 . 1 1 26 26 GLN H H 26 8.208 8.208 7.992 0.216 25538 5354 1 12 . 1 1 27 27 VAL N N 27 113.658 113.658 119.297 -5.639 25538 5355 1 12 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.313 0.563 25538 5356 1 12 . 1 1 27 27 VAL C C 27 173.900 173.900 173.743 0.157 25538 5357 1 12 . 1 1 27 27 VAL CA C 27 59.116 59.116 62.002 -2.886 25538 5358 1 12 . 1 1 27 27 VAL CB C 27 36.014 36.014 33.709 2.305 25538 5359 1 12 . 1 1 27 27 VAL H H 27 9.401 9.401 8.333 1.068 25538 5360 1 12 . 1 1 28 28 ARG N N 28 121.535 121.535 125.057 -3.522 25538 5361 1 12 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.810 0.647 25538 5362 1 12 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.094 -0.523 25538 5363 1 12 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.500 1.152 25538 5364 1 12 . 1 1 28 28 ARG H H 28 8.904 8.904 8.484 0.420 25538 5365 1 12 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.834 0.175 25538 5366 1 12 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.611 0.329 25538 5367 1 12 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.566 -1.312 25538 5368 1 12 . 1 1 30 30 LYS N N 30 121.258 121.258 119.831 1.427 25538 5369 1 12 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.515 -0.314 25538 5370 1 12 . 1 1 30 30 LYS C C 30 177.557 177.557 176.985 0.572 25538 5371 1 12 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.288 3.097 25538 5372 1 12 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.626 -0.776 25538 5373 1 12 . 1 1 30 30 LYS H H 30 8.477 8.477 8.243 0.234 25538 5374 1 12 . 1 1 31 31 LEU N N 31 121.577 121.577 127.020 -5.443 25538 5375 1 12 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.161 -0.099 25538 5376 1 12 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.696 0.500 25538 5377 1 12 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.760 -0.985 25538 5378 1 12 . 1 1 31 31 LEU H H 31 8.599 8.599 8.800 -0.201 25538 5379 1 12 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.207 -0.070 25538 5380 1 12 . 1 1 32 32 PRO CA C 32 66.485 66.485 64.932 1.553 25538 5381 1 12 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.011 0.575 25538 5382 1 12 . 1 1 33 33 LEU N N 33 113.299 113.299 117.902 -4.603 25538 5383 1 12 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.351 -0.376 25538 5384 1 12 . 1 1 33 33 LEU C C 33 177.726 177.726 177.886 -0.160 25538 5385 1 12 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.167 0.973 25538 5386 1 12 . 1 1 33 33 LEU CB C 33 41.830 41.830 43.147 -1.317 25538 5387 1 12 . 1 1 33 33 LEU H H 33 6.610 6.610 7.444 -0.834 25538 5388 1 12 . 1 1 34 34 LEU N N 34 121.730 121.730 121.970 -0.240 25538 5389 1 12 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.831 -0.435 25538 5390 1 12 . 1 1 34 34 LEU C C 34 177.467 177.467 178.428 -0.961 25538 5391 1 12 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.586 -0.325 25538 5392 1 12 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.146 0.690 25538 5393 1 12 . 1 1 34 34 LEU H H 34 8.411 8.411 8.769 -0.358 25538 5394 1 12 . 1 1 35 35 LYS N N 35 114.927 114.927 117.079 -2.152 25538 5395 1 12 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.951 -0.147 25538 5396 1 12 . 1 1 35 35 LYS C C 35 180.207 180.207 179.183 1.024 25538 5397 1 12 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.598 1.542 25538 5398 1 12 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.616 0.953 25538 5399 1 12 . 1 1 35 35 LYS H H 35 7.964 7.964 8.265 -0.301 25538 5400 1 12 . 1 1 36 36 ILE N N 36 119.935 119.935 120.019 -0.084 25538 5401 1 12 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.435 -0.132 25538 5402 1 12 . 1 1 36 36 ILE C C 36 176.418 176.418 177.846 -1.428 25538 5403 1 12 . 1 1 36 36 ILE CA C 36 64.484 64.484 63.032 1.452 25538 5404 1 12 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.412 1.217 25538 5405 1 12 . 1 1 36 36 ILE H H 36 6.739 6.739 7.418 -0.679 25538 5406 1 12 . 1 1 37 37 LEU N N 37 116.682 116.682 120.539 -3.857 25538 5407 1 12 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.455 0.073 25538 5408 1 12 . 1 1 37 37 LEU C C 37 180.263 180.263 179.091 1.172 25538 5409 1 12 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.110 0.115 25538 5410 1 12 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.717 -1.575 25538 5411 1 12 . 1 1 37 37 LEU H H 37 7.633 7.633 7.433 0.200 25538 5412 1 12 . 1 1 38 38 HIS N N 38 117.463 117.463 117.820 -0.357 25538 5413 1 12 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.135 0.547 25538 5414 1 12 . 1 1 38 38 HIS C C 38 179.936 179.936 177.875 2.061 25538 5415 1 12 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.013 -1.722 25538 5416 1 12 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.857 0.875 25538 5417 1 12 . 1 1 38 38 HIS H H 38 8.932 8.932 8.543 0.389 25538 5418 1 12 . 1 1 39 39 ALA N N 39 124.102 124.102 121.627 2.475 25538 5419 1 12 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.137 0.114 25538 5420 1 12 . 1 1 39 39 ALA C C 39 178.764 178.764 178.674 0.090 25538 5421 1 12 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.179 0.944 25538 5422 1 12 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.588 -0.477 25538 5423 1 12 . 1 1 39 39 ALA H H 39 7.951 7.951 8.066 -0.115 25538 5424 1 12 . 1 1 40 40 ALA N N 40 118.164 118.164 118.970 -0.806 25538 5425 1 12 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.328 0.093 25538 5426 1 12 . 1 1 40 40 ALA C C 40 176.261 176.261 177.834 -1.573 25538 5427 1 12 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.049 -0.913 25538 5428 1 12 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.268 1.844 25538 5429 1 12 . 1 1 40 40 ALA H H 40 7.647 7.647 8.089 -0.442 25538 5430 1 12 . 1 1 41 41 GLY N N 41 103.894 103.894 104.530 -0.636 25538 5431 1 12 . 1 1 41 41 GLY C C 41 174.412 174.412 174.352 0.060 25538 5432 1 12 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.475 0.379 25538 5433 1 12 . 1 1 41 41 GLY H H 41 7.677 7.677 7.755 -0.078 25538 5434 1 12 . 1 1 42 42 ALA N N 42 123.549 123.549 122.166 1.383 25538 5435 1 12 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.312 -0.682 25538 5436 1 12 . 1 1 42 42 ALA C C 42 175.956 175.956 175.020 0.936 25538 5437 1 12 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.695 0.985 25538 5438 1 12 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.107 -0.874 25538 5439 1 12 . 1 1 42 42 ALA H H 42 7.559 7.559 7.590 -0.031 25538 5440 1 12 . 1 1 43 43 GLN N N 43 117.516 117.516 118.239 -0.723 25538 5441 1 12 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.681 0.697 25538 5442 1 12 . 1 1 43 43 GLN C C 43 175.528 175.528 175.148 0.380 25538 5443 1 12 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.673 -1.054 25538 5444 1 12 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.599 1.597 25538 5445 1 12 . 1 1 43 43 GLN H H 43 8.531 8.531 8.386 0.145 25538 5446 1 12 . 1 1 44 44 GLY N N 44 108.084 108.084 112.326 -4.242 25538 5447 1 12 . 1 1 44 44 GLY C C 44 174.073 174.073 174.408 -0.335 25538 5448 1 12 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.783 -0.160 25538 5449 1 12 . 1 1 44 44 GLY H H 44 8.535 8.535 8.277 0.258 25538 5450 1 12 . 1 1 45 45 GLU N N 45 114.485 114.485 122.595 -8.110 25538 5451 1 12 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.063 0.547 25538 5452 1 12 . 1 1 45 45 GLU C C 45 174.007 174.007 174.737 -0.730 25538 5453 1 12 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.028 0.822 25538 5454 1 12 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.530 4.505 25538 5455 1 12 . 1 1 45 45 GLU H H 45 8.293 8.293 8.811 -0.518 25538 5456 1 12 . 1 1 46 46 MET N N 46 115.370 115.370 119.313 -3.943 25538 5457 1 12 . 1 1 46 46 MET HA H 46 5.047 5.047 4.320 0.727 25538 5458 1 12 . 1 1 46 46 MET C C 46 174.637 174.637 173.482 1.155 25538 5459 1 12 . 1 1 46 46 MET CA C 46 54.239 54.239 55.047 -0.809 25538 5460 1 12 . 1 1 46 46 MET CB C 46 35.727 35.727 34.908 0.819 25538 5461 1 12 . 1 1 46 46 MET H H 46 6.871 6.871 6.897 -0.026 25538 5462 1 12 . 1 1 47 47 PHE N N 47 118.922 118.922 119.777 -0.855 25538 5463 1 12 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.923 0.181 25538 5464 1 12 . 1 1 47 47 PHE C C 47 175.742 175.742 174.544 1.198 25538 5465 1 12 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.210 2.155 25538 5466 1 12 . 1 1 47 47 PHE CB C 47 46.882 46.882 41.129 5.753 25538 5467 1 12 . 1 1 47 47 PHE H H 47 8.611 8.611 7.864 0.747 25538 5468 1 12 . 1 1 48 48 THR N N 48 110.603 110.603 112.086 -1.483 25538 5469 1 12 . 1 1 48 48 THR HA H 48 4.982 4.982 4.423 0.559 25538 5470 1 12 . 1 1 48 48 THR C C 48 176.666 176.666 176.145 0.521 25538 5471 1 12 . 1 1 48 48 THR CA C 48 61.021 61.021 60.272 0.749 25538 5472 1 12 . 1 1 48 48 THR CB C 48 71.136 71.136 70.418 0.718 25538 5473 1 12 . 1 1 48 48 THR H H 48 9.113 9.113 8.031 1.082 25538 5474 1 12 . 1 1 49 49 VAL N N 49 121.595 121.595 122.018 -0.423 25538 5475 1 12 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.676 -0.283 25538 5476 1 12 . 1 1 49 49 VAL C C 49 177.726 177.726 177.376 0.350 25538 5477 1 12 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.814 1.395 25538 5478 1 12 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.012 -0.651 25538 5479 1 12 . 1 1 49 49 VAL H H 49 9.074 9.074 8.957 0.117 25538 5480 1 12 . 1 1 50 50 LYS N N 50 118.504 118.504 118.180 0.324 25538 5481 1 12 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.943 0.016 25538 5482 1 12 . 1 1 50 50 LYS C C 50 180.060 180.060 178.835 1.225 25538 5483 1 12 . 1 1 50 50 LYS CA C 50 59.920 59.920 60.002 -0.082 25538 5484 1 12 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.693 1.114 25538 5485 1 12 . 1 1 50 50 LYS H H 50 8.131 8.131 8.421 -0.289 25538 5486 1 12 . 1 1 51 51 GLU N N 51 119.547 119.547 119.234 0.313 25538 5487 1 12 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.190 -0.152 25538 5488 1 12 . 1 1 51 51 GLU C C 51 178.583 178.583 178.776 -0.193 25538 5489 1 12 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.717 1.139 25538 5490 1 12 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.630 1.772 25538 5491 1 12 . 1 1 51 51 GLU H H 51 7.882 7.882 7.952 -0.070 25538 5492 1 12 . 1 1 52 52 VAL N N 52 119.078 119.078 121.370 -2.292 25538 5493 1 12 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.659 -0.405 25538 5494 1 12 . 1 1 52 52 VAL C C 52 177.546 177.546 178.572 -1.026 25538 5495 1 12 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.658 1.203 25538 5496 1 12 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.133 0.098 25538 5497 1 12 . 1 1 52 52 VAL H H 52 8.258 8.258 8.713 -0.455 25538 5498 1 12 . 1 1 53 53 MET N N 53 114.606 114.606 117.066 -2.460 25538 5499 1 12 . 1 1 53 53 MET HA H 53 4.231 4.231 4.168 0.063 25538 5500 1 12 . 1 1 53 53 MET C C 53 178.640 178.640 178.515 0.125 25538 5501 1 12 . 1 1 53 53 MET CA C 53 57.902 57.902 57.428 0.474 25538 5502 1 12 . 1 1 53 53 MET CB C 53 32.640 32.640 30.590 2.050 25538 5503 1 12 . 1 1 53 53 MET H H 53 8.201 8.201 8.701 -0.500 25538 5504 1 12 . 1 1 54 54 HIS N N 54 118.707 118.707 120.675 -1.968 25538 5505 1 12 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.121 0.025 25538 5506 1 12 . 1 1 54 54 HIS C C 54 178.531 178.531 177.569 0.962 25538 5507 1 12 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.409 -0.397 25538 5508 1 12 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.596 0.564 25538 5509 1 12 . 1 1 54 54 HIS H H 54 8.122 8.122 7.684 0.438 25538 5510 1 12 . 1 1 55 55 TYR N N 55 116.875 116.875 117.969 -1.094 25538 5511 1 12 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.063 -0.195 25538 5512 1 12 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.592 2.145 25538 5513 1 12 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.593 1.440 25538 5514 1 12 . 1 1 55 55 TYR H H 55 8.480 8.480 8.433 0.047 25538 5515 1 12 . 1 1 56 56 LEU N N 56 120.976 120.976 120.531 0.445 25538 5516 1 12 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.993 -0.162 25538 5517 1 12 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.445 -0.082 25538 5518 1 12 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.518 0.874 25538 5519 1 12 . 1 1 56 56 LEU H H 56 8.452 8.452 8.251 0.201 25538 5520 1 12 . 1 1 57 57 GLY N N 57 105.050 105.050 106.584 -1.534 25538 5521 1 12 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.199 -0.053 25538 5522 1 12 . 1 1 57 57 GLY H H 57 7.710 7.710 8.652 -0.942 25538 5523 1 12 . 1 1 58 58 GLN N N 58 119.017 119.017 122.271 -3.254 25538 5524 1 12 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.878 -0.051 25538 5525 1 12 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.983 -0.305 25538 5526 1 12 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.534 0.341 25538 5527 1 12 . 1 1 58 58 GLN H H 58 7.649 7.649 7.850 -0.201 25538 5528 1 12 . 1 1 59 59 TYR N N 59 120.995 120.995 121.360 -0.365 25538 5529 1 12 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.148 -0.344 25538 5530 1 12 . 1 1 59 59 TYR C C 59 176.215 176.215 177.666 -1.451 25538 5531 1 12 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.058 0.507 25538 5532 1 12 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.489 0.115 25538 5533 1 12 . 1 1 59 59 TYR H H 59 8.500 8.500 8.351 0.149 25538 5534 1 12 . 1 1 60 60 ILE N N 60 116.781 116.781 120.026 -3.245 25538 5535 1 12 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.589 -0.314 25538 5536 1 12 . 1 1 60 60 ILE C C 60 177.952 177.952 178.336 -0.384 25538 5537 1 12 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.718 -0.048 25538 5538 1 12 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.966 0.592 25538 5539 1 12 . 1 1 60 60 ILE H H 60 7.612 7.612 8.686 -1.074 25538 5540 1 12 . 1 1 61 61 MET N N 61 115.626 115.626 118.079 -2.453 25538 5541 1 12 . 1 1 61 61 MET HA H 61 4.529 4.529 4.112 0.417 25538 5542 1 12 . 1 1 61 61 MET C C 61 180.579 180.579 178.993 1.586 25538 5543 1 12 . 1 1 61 61 MET CA C 61 57.662 57.662 57.604 0.058 25538 5544 1 12 . 1 1 61 61 MET CB C 61 31.449 31.449 31.438 0.011 25538 5545 1 12 . 1 1 61 61 MET H H 61 7.717 7.717 8.026 -0.309 25538 5546 1 12 . 1 1 62 62 VAL N N 62 120.907 120.907 119.520 1.387 25538 5547 1 12 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.761 0.068 25538 5548 1 12 . 1 1 62 62 VAL C C 62 178.786 178.786 177.857 0.929 25538 5549 1 12 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.537 0.464 25538 5550 1 12 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.800 0.183 25538 5551 1 12 . 1 1 62 62 VAL H H 62 9.021 9.021 8.412 0.609 25538 5552 1 12 . 1 1 63 63 LYS N N 63 116.704 116.704 117.024 -0.320 25538 5553 1 12 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.264 -0.207 25538 5554 1 12 . 1 1 63 63 LYS C C 63 174.784 174.784 175.887 -1.103 25538 5555 1 12 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.477 0.606 25538 5556 1 12 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.421 -1.089 25538 5557 1 12 . 1 1 63 63 LYS H H 63 7.824 7.824 7.884 -0.060 25538 5558 1 12 . 1 1 64 64 GLN N N 64 115.371 115.371 114.851 0.520 25538 5559 1 12 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.250 -0.629 25538 5560 1 12 . 1 1 64 64 GLN C C 64 175.550 175.550 175.816 -0.266 25538 5561 1 12 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.297 0.682 25538 5562 1 12 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.829 0.419 25538 5563 1 12 . 1 1 64 64 GLN H H 64 7.653 7.653 8.164 -0.511 25538 5564 1 12 . 1 1 65 65 LEU N N 65 115.332 115.332 119.975 -4.643 25538 5565 1 12 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.523 -0.088 25538 5566 1 12 . 1 1 65 65 LEU C C 65 175.979 175.979 175.638 0.341 25538 5567 1 12 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.404 0.197 25538 5568 1 12 . 1 1 65 65 LEU CB C 65 41.936 41.936 41.403 0.533 25538 5569 1 12 . 1 1 65 65 LEU H H 65 8.059 8.059 8.173 -0.114 25538 5570 1 12 . 1 1 66 66 TYR N N 66 113.240 113.240 114.737 -1.497 25538 5571 1 12 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.111 0.149 25538 5572 1 12 . 1 1 66 66 TYR C C 66 174.107 174.107 173.902 0.205 25538 5573 1 12 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.676 -0.002 25538 5574 1 12 . 1 1 66 66 TYR CB C 66 39.759 39.759 41.153 -1.394 25538 5575 1 12 . 1 1 66 66 TYR H H 66 6.845 6.845 7.151 -0.306 25538 5576 1 12 . 1 1 67 67 ASP N N 67 122.255 122.255 121.094 1.161 25538 5577 1 12 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.863 -0.428 25538 5578 1 12 . 1 1 67 67 ASP C C 67 176.779 176.779 176.869 -0.090 25538 5579 1 12 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.069 0.717 25538 5580 1 12 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.788 -0.430 25538 5581 1 12 . 1 1 67 67 ASP H H 67 8.341 8.341 8.266 0.075 25538 5582 1 12 . 1 1 68 68 GLN N N 68 123.090 123.090 124.753 -1.663 25538 5583 1 12 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.176 -0.295 25538 5584 1 12 . 1 1 68 68 GLN C C 68 177.122 177.122 176.534 0.588 25538 5585 1 12 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.777 1.112 25538 5586 1 12 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.519 0.546 25538 5587 1 12 . 1 1 68 68 GLN H H 68 8.552 8.552 8.776 -0.224 25538 5588 1 12 . 1 1 69 69 GLN N N 69 115.295 115.295 119.126 -3.831 25538 5589 1 12 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.475 -0.136 25538 5590 1 12 . 1 1 69 69 GLN C C 69 176.272 176.272 176.793 -0.521 25538 5591 1 12 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.853 0.082 25538 5592 1 12 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.576 -0.660 25538 5593 1 12 . 1 1 69 69 GLN H H 69 8.347 8.347 8.496 -0.149 25538 5594 1 12 . 1 1 70 70 GLU N N 70 122.341 122.341 122.678 -0.337 25538 5595 1 12 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.589 -0.098 25538 5596 1 12 . 1 1 70 70 GLU C C 70 175.832 175.832 176.297 -0.465 25538 5597 1 12 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.078 0.008 25538 5598 1 12 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.393 1.145 25538 5599 1 12 . 1 1 70 70 GLU H H 70 8.237 8.237 8.645 -0.408 25538 5600 1 12 . 1 1 71 71 GLN N N 71 119.185 119.185 119.033 0.152 25538 5601 1 12 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.292 0.209 25538 5602 1 12 . 1 1 71 71 GLN C C 71 173.848 173.848 176.238 -2.390 25538 5603 1 12 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.019 1.781 25538 5604 1 12 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.931 -0.749 25538 5605 1 12 . 1 1 71 71 GLN H H 71 8.206 8.206 7.828 0.378 25538 5606 1 12 . 1 1 72 72 HIS N N 72 109.549 109.549 111.971 -2.422 25538 5607 1 12 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.532 -0.352 25538 5608 1 12 . 1 1 72 72 HIS C C 72 175.790 175.790 174.326 1.464 25538 5609 1 12 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.164 1.117 25538 5610 1 12 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.725 1.350 25538 5611 1 12 . 1 1 72 72 HIS H H 72 7.383 7.383 8.157 -0.774 25538 5612 1 12 . 1 1 73 73 MET N N 73 119.174 119.174 120.435 -1.261 25538 5613 1 12 . 1 1 73 73 MET HA H 73 4.570 4.570 4.600 -0.030 25538 5614 1 12 . 1 1 73 73 MET C C 73 174.242 174.242 173.899 0.343 25538 5615 1 12 . 1 1 73 73 MET CA C 73 53.027 53.027 53.736 -0.709 25538 5616 1 12 . 1 1 73 73 MET CB C 73 31.709 31.709 34.580 -2.871 25538 5617 1 12 . 1 1 73 73 MET H H 73 7.655 7.655 7.409 0.246 25538 5618 1 12 . 1 1 74 74 VAL N N 74 122.522 122.522 125.466 -2.944 25538 5619 1 12 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.301 -0.378 25538 5620 1 12 . 1 1 74 74 VAL C C 74 174.851 174.851 174.466 0.385 25538 5621 1 12 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.477 0.917 25538 5622 1 12 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.234 0.552 25538 5623 1 12 . 1 1 74 74 VAL H H 74 8.443 8.443 8.672 -0.229 25538 5624 1 12 . 1 1 75 75 TYR N N 75 125.773 125.773 124.187 1.586 25538 5625 1 12 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.091 -0.339 25538 5626 1 12 . 1 1 75 75 TYR C C 75 174.923 174.923 176.636 -1.713 25538 5627 1 12 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.494 1.318 25538 5628 1 12 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.297 0.336 25538 5629 1 12 . 1 1 75 75 TYR H H 75 8.256 8.256 8.969 -0.713 25538 5630 1 12 . 1 1 76 76 CYS N N 76 116.702 116.702 119.675 -2.973 25538 5631 1 12 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.745 0.002 25538 5632 1 12 . 1 1 76 76 CYS C C 76 174.231 174.231 176.598 -2.367 25538 5633 1 12 . 1 1 76 76 CYS CA C 76 56.103 56.103 56.894 -0.791 25538 5634 1 12 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.898 3.691 25538 5635 1 12 . 1 1 76 76 CYS H H 76 8.266 8.266 8.375 -0.109 25538 5636 1 12 . 1 1 77 77 GLY N N 77 111.675 111.675 111.426 0.249 25538 5637 1 12 . 1 1 77 77 GLY C C 77 174.662 174.662 174.897 -0.235 25538 5638 1 12 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.001 0.148 25538 5639 1 12 . 1 1 77 77 GLY H H 77 8.483 8.483 7.829 0.654 25538 5640 1 12 . 1 1 78 78 GLY N N 78 113.022 113.022 107.847 5.175 25538 5641 1 12 . 1 1 78 78 GLY C C 78 172.811 172.811 173.483 -0.672 25538 5642 1 12 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.198 1.554 25538 5643 1 12 . 1 1 78 78 GLY H H 78 8.892 8.892 8.048 0.844 25538 5644 1 12 . 1 1 79 79 ASP N N 79 119.457 119.457 121.189 -1.732 25538 5645 1 12 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.862 0.030 25538 5646 1 12 . 1 1 79 79 ASP C C 79 176.302 176.302 177.460 -1.158 25538 5647 1 12 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.154 -0.107 25538 5648 1 12 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.170 4.101 25538 5649 1 12 . 1 1 79 79 ASP H H 79 7.795 7.795 7.796 -0.001 25538 5650 1 12 . 1 1 80 80 LEU N N 80 128.421 128.421 126.333 2.088 25538 5651 1 12 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.169 -0.105 25538 5652 1 12 . 1 1 80 80 LEU C C 80 179.059 179.059 178.129 0.930 25538 5653 1 12 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.949 0.574 25538 5654 1 12 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.109 0.538 25538 5655 1 12 . 1 1 80 80 LEU H H 80 8.549 8.549 8.750 -0.201 25538 5656 1 12 . 1 1 81 81 LEU N N 81 118.678 118.678 120.399 -1.721 25538 5657 1 12 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.156 -0.289 25538 5658 1 12 . 1 1 81 81 LEU C C 81 178.542 178.542 178.454 0.088 25538 5659 1 12 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.029 0.498 25538 5660 1 12 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.276 1.373 25538 5661 1 12 . 1 1 81 81 LEU H H 81 9.974 9.974 9.137 0.837 25538 5662 1 12 . 1 1 82 82 GLY N N 82 105.642 105.642 106.226 -0.584 25538 5663 1 12 . 1 1 82 82 GLY C C 82 176.907 176.907 176.489 0.418 25538 5664 1 12 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.220 0.773 25538 5665 1 12 . 1 1 82 82 GLY H H 82 7.543 7.543 7.681 -0.138 25538 5666 1 12 . 1 1 83 83 GLU N N 83 121.762 121.762 122.123 -0.361 25538 5667 1 12 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.076 -0.094 25538 5668 1 12 . 1 1 83 83 GLU C C 83 179.215 179.215 179.245 -0.030 25538 5669 1 12 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.288 -0.127 25538 5670 1 12 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.374 0.097 25538 5671 1 12 . 1 1 83 83 GLU H H 83 7.537 7.537 8.322 -0.785 25538 5672 1 12 . 1 1 84 84 LEU N N 84 118.478 118.478 120.001 -1.523 25538 5673 1 12 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.093 -0.069 25538 5674 1 12 . 1 1 84 84 LEU C C 84 178.842 178.842 179.277 -0.435 25538 5675 1 12 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.409 0.066 25538 5676 1 12 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.867 0.525 25538 5677 1 12 . 1 1 84 84 LEU H H 84 7.717 7.717 8.160 -0.443 25538 5678 1 12 . 1 1 85 85 LEU N N 85 115.268 115.268 114.032 1.236 25538 5679 1 12 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.169 -0.392 25538 5680 1 12 . 1 1 85 85 LEU C C 85 177.773 177.773 177.790 -0.017 25538 5681 1 12 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.199 0.176 25538 5682 1 12 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.175 1.718 25538 5683 1 12 . 1 1 85 85 LEU H H 85 8.091 8.091 8.094 -0.003 25538 5684 1 12 . 1 1 86 86 GLY N N 86 107.339 107.339 106.458 0.881 25538 5685 1 12 . 1 1 86 86 GLY C C 86 174.143 174.143 174.506 -0.363 25538 5686 1 12 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.058 1.257 25538 5687 1 12 . 1 1 86 86 GLY H H 86 7.993 7.993 7.984 0.009 25538 5688 1 12 . 1 1 87 87 ARG N N 87 113.292 113.292 119.265 -5.973 25538 5689 1 12 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.710 -0.056 25538 5690 1 12 . 1 1 87 87 ARG C C 87 174.720 174.720 175.384 -0.664 25538 5691 1 12 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.918 -0.758 25538 5692 1 12 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.877 1.579 25538 5693 1 12 . 1 1 87 87 ARG H H 87 7.407 7.407 7.292 0.115 25538 5694 1 12 . 1 1 88 88 GLN N N 88 116.042 116.042 121.502 -5.460 25538 5695 1 12 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.438 -0.392 25538 5696 1 12 . 1 1 88 88 GLN C C 88 175.946 175.946 174.974 0.972 25538 5697 1 12 . 1 1 88 88 GLN CA C 88 57.175 57.175 56.741 0.434 25538 5698 1 12 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.015 0.775 25538 5699 1 12 . 1 1 88 88 GLN H H 88 8.660 8.660 8.628 0.032 25538 5700 1 12 . 1 1 89 89 SER N N 89 110.533 110.533 110.896 -0.363 25538 5701 1 12 . 1 1 89 89 SER HA H 89 5.431 5.431 4.909 0.522 25538 5702 1 12 . 1 1 89 89 SER C C 89 173.062 173.062 172.999 0.063 25538 5703 1 12 . 1 1 89 89 SER CA C 89 57.019 57.019 56.760 0.260 25538 5704 1 12 . 1 1 89 89 SER CB C 89 66.577 66.577 65.695 0.882 25538 5705 1 12 . 1 1 89 89 SER H H 89 7.620 7.620 7.451 0.169 25538 5706 1 12 . 1 1 90 90 PHE N N 90 115.219 115.219 116.504 -1.285 25538 5707 1 12 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.956 -0.261 25538 5708 1 12 . 1 1 90 90 PHE C C 90 175.233 175.233 172.599 2.634 25538 5709 1 12 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.926 0.169 25538 5710 1 12 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.451 -0.105 25538 5711 1 12 . 1 1 90 90 PHE H H 90 8.557 8.557 7.635 0.922 25538 5712 1 12 . 1 1 91 91 SER N N 91 113.681 113.681 114.391 -0.710 25538 5713 1 12 . 1 1 91 91 SER HA H 91 5.391 5.391 5.168 0.223 25538 5714 1 12 . 1 1 91 91 SER CA C 91 54.564 54.564 55.737 -1.173 25538 5715 1 12 . 1 1 91 91 SER CB C 91 65.366 65.366 66.932 -1.566 25538 5716 1 12 . 1 1 91 91 SER H H 91 9.006 9.006 8.131 0.875 25538 5717 1 12 . 1 1 92 92 VAL N N 92 121.388 121.388 116.520 4.868 25538 5718 1 12 . 1 1 92 92 VAL HA H 92 3.943 3.943 4.008 -0.065 25538 5719 1 12 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.120 -0.925 25538 5720 1 12 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.816 -0.585 25538 5721 1 12 . 1 1 92 92 VAL H H 92 8.983 8.983 8.700 0.283 25538 5722 1 12 . 1 1 93 93 LYS N N 93 116.161 116.161 119.322 -3.161 25538 5723 1 12 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.447 -0.464 25538 5724 1 12 . 1 1 93 93 LYS C C 93 177.088 177.088 175.893 1.195 25538 5725 1 12 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.276 0.905 25538 5726 1 12 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.139 -1.015 25538 5727 1 12 . 1 1 93 93 LYS H H 93 8.078 8.078 7.774 0.304 25538 5728 1 12 . 1 1 94 94 ASP N N 94 115.406 115.406 119.438 -4.032 25538 5729 1 12 . 1 1 94 94 ASP HA H 94 4.949 4.949 4.994 -0.045 25538 5730 1 12 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.588 -0.031 25538 5731 1 12 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.353 0.092 25538 5732 1 12 . 1 1 94 94 ASP H H 94 7.385 7.385 7.723 -0.338 25538 5733 1 12 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.529 -0.092 25538 5734 1 12 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.511 0.378 25538 5735 1 12 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.751 1.009 25538 5736 1 12 . 1 1 96 96 SER N N 96 118.819 118.819 116.765 2.054 25538 5737 1 12 . 1 1 96 96 SER HA H 96 4.220 4.220 4.352 -0.132 25538 5738 1 12 . 1 1 96 96 SER CA C 96 64.406 64.406 63.340 1.066 25538 5739 1 12 . 1 1 96 96 SER CB C 96 61.862 61.862 61.986 -0.124 25538 5740 1 12 . 1 1 96 96 SER H H 96 8.104 8.104 8.060 0.044 25538 5741 1 12 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.351 -0.002 25538 5742 1 12 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.066 0.845 25538 5743 1 12 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.257 0.238 25538 5744 1 12 . 1 1 98 98 LEU N N 98 118.063 118.063 120.838 -2.775 25538 5745 1 12 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.796 -0.193 25538 5746 1 12 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.481 -0.380 25538 5747 1 12 . 1 1 98 98 LEU CB C 98 41.396 41.396 40.853 0.543 25538 5748 1 12 . 1 1 98 98 LEU H H 98 7.087 7.087 7.216 -0.129 25538 5749 1 12 . 1 1 99 99 TYR N N 99 118.063 118.063 118.520 -0.457 25538 5750 1 12 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.049 0.095 25538 5751 1 12 . 1 1 99 99 TYR C C 99 178.914 178.914 178.142 0.772 25538 5752 1 12 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.583 -1.315 25538 5753 1 12 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.807 -0.839 25538 5754 1 12 . 1 1 99 99 TYR H H 99 7.594 7.594 8.502 -0.908 25538 5755 1 12 . 1 1 100 100 ASP N N 100 119.682 119.682 119.859 -0.177 25538 5756 1 12 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.319 0.007 25538 5757 1 12 . 1 1 100 100 ASP C C 100 177.737 177.737 178.282 -0.545 25538 5758 1 12 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.285 0.590 25538 5759 1 12 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.900 0.188 25538 5760 1 12 . 1 1 100 100 ASP H H 100 8.315 8.315 7.945 0.370 25538 5761 1 12 . 1 1 101 101 MET N N 101 118.784 118.784 118.236 0.548 25538 5762 1 12 . 1 1 101 101 MET HA H 101 3.969 3.969 4.164 -0.195 25538 5763 1 12 . 1 1 101 101 MET C C 101 180.080 180.080 177.959 2.121 25538 5764 1 12 . 1 1 101 101 MET CA C 101 59.420 59.420 58.659 0.761 25538 5765 1 12 . 1 1 101 101 MET CB C 101 31.642 31.642 32.613 -0.971 25538 5766 1 12 . 1 1 101 101 MET H H 101 7.245 7.245 7.804 -0.559 25538 5767 1 12 . 1 1 102 102 LEU N N 102 121.572 121.572 118.888 2.684 25538 5768 1 12 . 1 1 102 102 LEU HA H 102 3.701 3.701 4.114 -0.413 25538 5769 1 12 . 1 1 102 102 LEU C C 102 178.566 178.566 179.311 -0.745 25538 5770 1 12 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.915 0.828 25538 5771 1 12 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.115 0.331 25538 5772 1 12 . 1 1 102 102 LEU H H 102 8.471 8.471 8.125 0.346 25538 5773 1 12 . 1 1 103 103 ARG N N 103 117.180 117.180 117.699 -0.519 25538 5774 1 12 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.121 -0.151 25538 5775 1 12 . 1 1 103 103 ARG C C 103 178.818 178.818 177.264 1.554 25538 5776 1 12 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.676 0.827 25538 5777 1 12 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.262 -0.045 25538 5778 1 12 . 1 1 103 103 ARG H H 103 7.933 7.933 7.998 -0.065 25538 5779 1 12 . 1 1 104 104 LYS N N 104 114.206 114.206 116.232 -2.026 25538 5780 1 12 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.412 -0.196 25538 5781 1 12 . 1 1 104 104 LYS C C 104 177.556 177.556 176.341 1.215 25538 5782 1 12 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.927 0.826 25538 5783 1 12 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.594 1.506 25538 5784 1 12 . 1 1 104 104 LYS H H 104 7.171 7.171 7.375 -0.204 25538 5785 1 12 . 1 1 105 105 ASN N N 105 114.097 114.097 118.041 -3.944 25538 5786 1 12 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.925 -0.194 25538 5787 1 12 . 1 1 105 105 ASN C C 105 172.822 172.822 175.880 -3.058 25538 5788 1 12 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.299 0.544 25538 5789 1 12 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.192 1.149 25538 5790 1 12 . 1 1 105 105 ASN H H 105 7.661 7.661 7.802 -0.141 25538 5791 1 12 . 1 1 106 106 LEU N N 106 118.656 118.656 117.636 1.020 25538 5792 1 12 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.731 -0.060 25538 5793 1 12 . 1 1 106 106 LEU C C 106 175.658 175.658 177.251 -1.593 25538 5794 1 12 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.713 -0.555 25538 5795 1 12 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.795 0.815 25538 5796 1 12 . 1 1 106 106 LEU H H 106 7.440 7.440 7.848 -0.408 25538 5797 1 12 . 1 1 107 107 VAL N N 107 122.765 122.765 114.668 8.097 25538 5798 1 12 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.108 0.106 25538 5799 1 12 . 1 1 107 107 VAL C C 107 176.054 176.054 175.936 0.118 25538 5800 1 12 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.275 -0.132 25538 5801 1 12 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.707 0.849 25538 5802 1 12 . 1 1 107 107 VAL H H 107 8.158 8.158 7.954 0.204 25538 5803 1 12 . 1 1 108 108 THR N N 108 120.921 120.921 118.080 2.841 25538 5804 1 12 . 1 1 108 108 THR HA H 108 4.332 4.332 4.243 0.089 25538 5805 1 12 . 1 1 108 108 THR C C 108 174.216 174.216 174.072 0.144 25538 5806 1 12 . 1 1 108 108 THR CA C 108 62.726 62.726 64.409 -1.683 25538 5807 1 12 . 1 1 108 108 THR CB C 108 69.777 69.777 68.706 1.071 25538 5808 1 12 . 1 1 108 108 THR H H 108 8.524 8.524 8.153 0.371 25538 5809 1 12 . 1 1 109 109 LEU N N 109 125.518 125.518 127.166 -1.648 25538 5810 1 12 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.738 -0.383 25538 5811 1 12 . 1 1 109 109 LEU C C 109 176.523 176.523 175.423 1.100 25538 5812 1 12 . 1 1 109 109 LEU CA C 109 55.047 55.047 53.986 1.062 25538 5813 1 12 . 1 1 109 109 LEU CB C 109 42.590 42.590 44.407 -1.817 25538 5814 1 12 . 1 1 109 109 LEU H H 109 8.312 8.312 8.369 -0.057 25538 5815 1 12 . 1 1 110 110 ALA N N 110 125.099 125.099 124.651 0.448 25538 5816 1 12 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.919 -0.553 25538 5817 1 12 . 1 1 110 110 ALA C C 110 176.847 176.847 176.103 0.744 25538 5818 1 12 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.968 0.660 25538 5819 1 12 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.730 -1.024 25538 5820 1 12 . 1 1 110 110 ALA H H 110 8.257 8.257 8.231 0.026 25538 5821 1 13 . 1 1 24 24 ILE N N 24 120.669 120.669 122.188 -1.519 25538 5822 1 13 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.964 0.183 25538 5823 1 13 . 1 1 24 24 ILE C C 24 175.650 175.650 176.439 -0.789 25538 5824 1 13 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.078 -0.736 25538 5825 1 13 . 1 1 24 24 ILE CB C 24 38.977 38.977 35.984 2.993 25538 5826 1 13 . 1 1 24 24 ILE H H 24 8.122 8.122 8.555 -0.432 25538 5827 1 13 . 1 1 25 25 ASN N N 25 121.886 121.886 124.823 -2.937 25538 5828 1 13 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.822 -0.120 25538 5829 1 13 . 1 1 25 25 ASN C C 25 174.775 174.775 173.933 0.842 25538 5830 1 13 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.935 0.795 25538 5831 1 13 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.147 -0.846 25538 5832 1 13 . 1 1 25 25 ASN H H 25 8.436 8.436 8.701 -0.265 25538 5833 1 13 . 1 1 26 26 GLN N N 26 118.706 118.706 118.589 0.117 25538 5834 1 13 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.595 -0.013 25538 5835 1 13 . 1 1 26 26 GLN C C 26 175.291 175.291 174.046 1.245 25538 5836 1 13 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.174 0.466 25538 5837 1 13 . 1 1 26 26 GLN CB C 26 32.218 32.218 31.289 0.929 25538 5838 1 13 . 1 1 26 26 GLN H H 26 8.208 8.208 7.995 0.213 25538 5839 1 13 . 1 1 27 27 VAL N N 27 113.658 113.658 121.183 -7.525 25538 5840 1 13 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.389 0.487 25538 5841 1 13 . 1 1 27 27 VAL C C 27 173.900 173.900 173.635 0.265 25538 5842 1 13 . 1 1 27 27 VAL CA C 27 59.116 59.116 62.005 -2.889 25538 5843 1 13 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.877 0.137 25538 5844 1 13 . 1 1 27 27 VAL H H 27 9.401 9.401 8.251 1.150 25538 5845 1 13 . 1 1 28 28 ARG N N 28 121.535 121.535 123.061 -1.526 25538 5846 1 13 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.836 0.621 25538 5847 1 13 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.376 -0.805 25538 5848 1 13 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.544 1.108 25538 5849 1 13 . 1 1 28 28 ARG H H 28 8.904 8.904 8.412 0.492 25538 5850 1 13 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.711 0.298 25538 5851 1 13 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.447 0.492 25538 5852 1 13 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.196 -0.942 25538 5853 1 13 . 1 1 30 30 LYS N N 30 121.258 121.258 119.691 1.567 25538 5854 1 13 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.493 -0.292 25538 5855 1 13 . 1 1 30 30 LYS C C 30 177.557 177.557 177.463 0.094 25538 5856 1 13 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.681 2.704 25538 5857 1 13 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.525 -0.675 25538 5858 1 13 . 1 1 30 30 LYS H H 30 8.477 8.477 7.945 0.532 25538 5859 1 13 . 1 1 31 31 LEU N N 31 121.577 121.577 126.513 -4.936 25538 5860 1 13 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.145 -0.083 25538 5861 1 13 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.153 1.043 25538 5862 1 13 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.339 -0.564 25538 5863 1 13 . 1 1 31 31 LEU H H 31 8.599 8.599 8.749 -0.150 25538 5864 1 13 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.233 -0.096 25538 5865 1 13 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.045 1.440 25538 5866 1 13 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.947 0.639 25538 5867 1 13 . 1 1 33 33 LEU N N 33 113.299 113.299 117.681 -4.382 25538 5868 1 13 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.448 -0.473 25538 5869 1 13 . 1 1 33 33 LEU C C 33 177.726 177.726 177.703 0.023 25538 5870 1 13 . 1 1 33 33 LEU CA C 33 56.140 56.140 54.905 1.235 25538 5871 1 13 . 1 1 33 33 LEU CB C 33 41.830 41.830 43.648 -1.818 25538 5872 1 13 . 1 1 33 33 LEU H H 33 6.610 6.610 7.508 -0.898 25538 5873 1 13 . 1 1 34 34 LEU N N 34 121.730 121.730 122.536 -0.806 25538 5874 1 13 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.879 -0.483 25538 5875 1 13 . 1 1 34 34 LEU C C 34 177.467 177.467 178.413 -0.946 25538 5876 1 13 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.748 -0.487 25538 5877 1 13 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.253 0.583 25538 5878 1 13 . 1 1 34 34 LEU H H 34 8.411 8.411 8.668 -0.257 25538 5879 1 13 . 1 1 35 35 LYS N N 35 114.927 114.927 116.830 -1.903 25538 5880 1 13 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.993 -0.189 25538 5881 1 13 . 1 1 35 35 LYS C C 35 180.207 180.207 179.275 0.932 25538 5882 1 13 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.069 2.071 25538 5883 1 13 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.479 1.090 25538 5884 1 13 . 1 1 35 35 LYS H H 35 7.964 7.964 8.253 -0.289 25538 5885 1 13 . 1 1 36 36 ILE N N 36 119.935 119.935 120.245 -0.310 25538 5886 1 13 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.598 -0.295 25538 5887 1 13 . 1 1 36 36 ILE C C 36 176.418 176.418 177.766 -1.348 25538 5888 1 13 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.860 1.624 25538 5889 1 13 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.494 1.135 25538 5890 1 13 . 1 1 36 36 ILE H H 36 6.739 6.739 7.443 -0.704 25538 5891 1 13 . 1 1 37 37 LEU N N 37 116.682 116.682 120.850 -4.168 25538 5892 1 13 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.468 0.060 25538 5893 1 13 . 1 1 37 37 LEU C C 37 180.263 180.263 179.135 1.128 25538 5894 1 13 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.302 -0.077 25538 5895 1 13 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.816 -1.674 25538 5896 1 13 . 1 1 37 37 LEU H H 37 7.633 7.633 7.486 0.147 25538 5897 1 13 . 1 1 38 38 HIS N N 38 117.463 117.463 117.599 -0.136 25538 5898 1 13 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.176 0.506 25538 5899 1 13 . 1 1 38 38 HIS C C 38 179.936 179.936 177.903 2.033 25538 5900 1 13 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.994 -1.703 25538 5901 1 13 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.910 0.822 25538 5902 1 13 . 1 1 38 38 HIS H H 38 8.932 8.932 8.558 0.374 25538 5903 1 13 . 1 1 39 39 ALA N N 39 124.102 124.102 121.806 2.296 25538 5904 1 13 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.139 0.112 25538 5905 1 13 . 1 1 39 39 ALA C C 39 178.764 178.764 178.694 0.070 25538 5906 1 13 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.204 0.919 25538 5907 1 13 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.546 -0.435 25538 5908 1 13 . 1 1 39 39 ALA H H 39 7.951 7.951 8.110 -0.159 25538 5909 1 13 . 1 1 40 40 ALA N N 40 118.164 118.164 118.530 -0.366 25538 5910 1 13 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.321 0.100 25538 5911 1 13 . 1 1 40 40 ALA C C 40 176.261 176.261 177.996 -1.735 25538 5912 1 13 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.279 -1.143 25538 5913 1 13 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.497 1.615 25538 5914 1 13 . 1 1 40 40 ALA H H 40 7.647 7.647 8.090 -0.443 25538 5915 1 13 . 1 1 41 41 GLY N N 41 103.894 103.894 104.610 -0.716 25538 5916 1 13 . 1 1 41 41 GLY C C 41 174.412 174.412 174.426 -0.014 25538 5917 1 13 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.459 0.395 25538 5918 1 13 . 1 1 41 41 GLY H H 41 7.677 7.677 7.738 -0.061 25538 5919 1 13 . 1 1 42 42 ALA N N 42 123.549 123.549 122.656 0.893 25538 5920 1 13 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.362 -0.732 25538 5921 1 13 . 1 1 42 42 ALA C C 42 175.956 175.956 175.057 0.899 25538 5922 1 13 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.599 1.081 25538 5923 1 13 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.320 -1.087 25538 5924 1 13 . 1 1 42 42 ALA H H 42 7.559 7.559 7.663 -0.104 25538 5925 1 13 . 1 1 43 43 GLN N N 43 117.516 117.516 117.184 0.332 25538 5926 1 13 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.559 0.819 25538 5927 1 13 . 1 1 43 43 GLN C C 43 175.528 175.528 174.852 0.676 25538 5928 1 13 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.426 -0.807 25538 5929 1 13 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.176 1.020 25538 5930 1 13 . 1 1 43 43 GLN H H 43 8.531 8.531 8.343 0.188 25538 5931 1 13 . 1 1 44 44 GLY N N 44 108.084 108.084 112.743 -4.659 25538 5932 1 13 . 1 1 44 44 GLY C C 44 174.073 174.073 174.558 -0.485 25538 5933 1 13 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.783 -0.160 25538 5934 1 13 . 1 1 44 44 GLY H H 44 8.535 8.535 8.330 0.205 25538 5935 1 13 . 1 1 45 45 GLU N N 45 114.485 114.485 123.719 -9.234 25538 5936 1 13 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.837 0.773 25538 5937 1 13 . 1 1 45 45 GLU C C 45 174.007 174.007 174.875 -0.868 25538 5938 1 13 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.054 0.796 25538 5939 1 13 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.513 4.522 25538 5940 1 13 . 1 1 45 45 GLU H H 45 8.293 8.293 8.806 -0.513 25538 5941 1 13 . 1 1 46 46 MET N N 46 115.370 115.370 120.625 -5.255 25538 5942 1 13 . 1 1 46 46 MET HA H 46 5.047 5.047 4.500 0.547 25538 5943 1 13 . 1 1 46 46 MET C C 46 174.637 174.637 173.583 1.054 25538 5944 1 13 . 1 1 46 46 MET CA C 46 54.239 54.239 54.803 -0.564 25538 5945 1 13 . 1 1 46 46 MET CB C 46 35.727 35.727 33.660 2.067 25538 5946 1 13 . 1 1 46 46 MET H H 46 6.871 6.871 6.985 -0.114 25538 5947 1 13 . 1 1 47 47 PHE N N 47 118.922 118.922 122.458 -3.536 25538 5948 1 13 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.945 0.159 25538 5949 1 13 . 1 1 47 47 PHE C C 47 175.742 175.742 174.667 1.075 25538 5950 1 13 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.464 2.901 25538 5951 1 13 . 1 1 47 47 PHE CB C 47 46.882 46.882 41.433 5.449 25538 5952 1 13 . 1 1 47 47 PHE H H 47 8.611 8.611 7.620 0.991 25538 5953 1 13 . 1 1 48 48 THR N N 48 110.603 110.603 113.160 -2.557 25538 5954 1 13 . 1 1 48 48 THR HA H 48 4.982 4.982 4.491 0.491 25538 5955 1 13 . 1 1 48 48 THR C C 48 176.666 176.666 175.992 0.674 25538 5956 1 13 . 1 1 48 48 THR CA C 48 61.021 61.021 60.490 0.531 25538 5957 1 13 . 1 1 48 48 THR CB C 48 71.136 71.136 70.675 0.461 25538 5958 1 13 . 1 1 48 48 THR H H 48 9.113 9.113 8.103 1.010 25538 5959 1 13 . 1 1 49 49 VAL N N 49 121.595 121.595 122.536 -0.941 25538 5960 1 13 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.703 -0.310 25538 5961 1 13 . 1 1 49 49 VAL C C 49 177.726 177.726 177.265 0.461 25538 5962 1 13 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.111 2.098 25538 5963 1 13 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.826 -0.466 25538 5964 1 13 . 1 1 49 49 VAL H H 49 9.074 9.074 8.889 0.185 25538 5965 1 13 . 1 1 50 50 LYS N N 50 118.504 118.504 116.940 1.564 25538 5966 1 13 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.016 -0.057 25538 5967 1 13 . 1 1 50 50 LYS C C 50 180.060 180.060 178.662 1.398 25538 5968 1 13 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.395 0.525 25538 5969 1 13 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.485 1.322 25538 5970 1 13 . 1 1 50 50 LYS H H 50 8.131 8.131 8.352 -0.221 25538 5971 1 13 . 1 1 51 51 GLU N N 51 119.547 119.547 119.981 -0.434 25538 5972 1 13 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.212 -0.174 25538 5973 1 13 . 1 1 51 51 GLU C C 51 178.583 178.583 178.874 -0.291 25538 5974 1 13 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.345 1.511 25538 5975 1 13 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.931 1.471 25538 5976 1 13 . 1 1 51 51 GLU H H 51 7.882 7.882 7.907 -0.025 25538 5977 1 13 . 1 1 52 52 VAL N N 52 119.078 119.078 121.445 -2.367 25538 5978 1 13 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.598 -0.344 25538 5979 1 13 . 1 1 52 52 VAL C C 52 177.546 177.546 178.531 -0.985 25538 5980 1 13 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.882 0.979 25538 5981 1 13 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.747 -0.516 25538 5982 1 13 . 1 1 52 52 VAL H H 52 8.258 8.258 8.767 -0.509 25538 5983 1 13 . 1 1 53 53 MET N N 53 114.606 114.606 115.938 -1.332 25538 5984 1 13 . 1 1 53 53 MET HA H 53 4.231 4.231 4.200 0.031 25538 5985 1 13 . 1 1 53 53 MET C C 53 178.640 178.640 178.436 0.204 25538 5986 1 13 . 1 1 53 53 MET CA C 53 57.902 57.902 56.533 1.369 25538 5987 1 13 . 1 1 53 53 MET CB C 53 32.640 32.640 30.650 1.990 25538 5988 1 13 . 1 1 53 53 MET H H 53 8.201 8.201 8.454 -0.253 25538 5989 1 13 . 1 1 54 54 HIS N N 54 118.707 118.707 121.189 -2.482 25538 5990 1 13 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.104 0.042 25538 5991 1 13 . 1 1 54 54 HIS C C 54 178.531 178.531 177.401 1.130 25538 5992 1 13 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.828 -0.816 25538 5993 1 13 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.679 0.481 25538 5994 1 13 . 1 1 54 54 HIS H H 54 8.122 8.122 7.696 0.426 25538 5995 1 13 . 1 1 55 55 TYR N N 55 116.875 116.875 117.836 -0.961 25538 5996 1 13 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.069 -0.201 25538 5997 1 13 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.783 1.954 25538 5998 1 13 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.743 1.291 25538 5999 1 13 . 1 1 55 55 TYR H H 55 8.480 8.480 8.446 0.034 25538 6000 1 13 . 1 1 56 56 LEU N N 56 120.976 120.976 120.241 0.735 25538 6001 1 13 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.993 -0.162 25538 6002 1 13 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.152 0.211 25538 6003 1 13 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.504 0.888 25538 6004 1 13 . 1 1 56 56 LEU H H 56 8.452 8.452 8.321 0.131 25538 6005 1 13 . 1 1 57 57 GLY N N 57 105.050 105.050 106.560 -1.510 25538 6006 1 13 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.474 -0.328 25538 6007 1 13 . 1 1 57 57 GLY H H 57 7.710 7.710 8.669 -0.959 25538 6008 1 13 . 1 1 58 58 GLN N N 58 119.017 119.017 121.932 -2.915 25538 6009 1 13 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.935 -0.108 25538 6010 1 13 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.254 0.424 25538 6011 1 13 . 1 1 58 58 GLN CB C 58 28.875 28.875 27.561 1.313 25538 6012 1 13 . 1 1 58 58 GLN H H 58 7.649 7.649 8.261 -0.612 25538 6013 1 13 . 1 1 59 59 TYR N N 59 120.995 120.995 121.835 -0.840 25538 6014 1 13 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.156 -0.352 25538 6015 1 13 . 1 1 59 59 TYR C C 59 176.215 176.215 177.296 -1.081 25538 6016 1 13 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.063 0.502 25538 6017 1 13 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.650 -0.047 25538 6018 1 13 . 1 1 59 59 TYR H H 59 8.500 8.500 8.089 0.411 25538 6019 1 13 . 1 1 60 60 ILE N N 60 116.781 116.781 120.149 -3.368 25538 6020 1 13 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.626 -0.351 25538 6021 1 13 . 1 1 60 60 ILE C C 60 177.952 177.952 178.247 -0.295 25538 6022 1 13 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.879 -0.209 25538 6023 1 13 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.883 0.675 25538 6024 1 13 . 1 1 60 60 ILE H H 60 7.612 7.612 8.517 -0.905 25538 6025 1 13 . 1 1 61 61 MET N N 61 115.626 115.626 118.303 -2.677 25538 6026 1 13 . 1 1 61 61 MET HA H 61 4.529 4.529 4.193 0.336 25538 6027 1 13 . 1 1 61 61 MET C C 61 180.579 180.579 178.491 2.088 25538 6028 1 13 . 1 1 61 61 MET CA C 61 57.662 57.662 58.398 -0.736 25538 6029 1 13 . 1 1 61 61 MET CB C 61 31.449 31.449 31.988 -0.540 25538 6030 1 13 . 1 1 61 61 MET H H 61 7.717 7.717 8.037 -0.320 25538 6031 1 13 . 1 1 62 62 VAL N N 62 120.907 120.907 118.804 2.103 25538 6032 1 13 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.762 0.067 25538 6033 1 13 . 1 1 62 62 VAL C C 62 178.786 178.786 177.918 0.868 25538 6034 1 13 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.545 0.456 25538 6035 1 13 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.667 0.316 25538 6036 1 13 . 1 1 62 62 VAL H H 62 9.021 9.021 8.143 0.878 25538 6037 1 13 . 1 1 63 63 LYS N N 63 116.704 116.704 118.057 -1.353 25538 6038 1 13 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.153 -0.096 25538 6039 1 13 . 1 1 63 63 LYS C C 63 174.784 174.784 176.024 -1.240 25538 6040 1 13 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.586 0.497 25538 6041 1 13 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.434 -1.102 25538 6042 1 13 . 1 1 63 63 LYS H H 63 7.824 7.824 8.026 -0.202 25538 6043 1 13 . 1 1 64 64 GLN N N 64 115.371 115.371 113.632 1.739 25538 6044 1 13 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.160 -0.539 25538 6045 1 13 . 1 1 64 64 GLN C C 64 175.550 175.550 175.626 -0.076 25538 6046 1 13 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.354 0.625 25538 6047 1 13 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.953 0.295 25538 6048 1 13 . 1 1 64 64 GLN H H 64 7.653 7.653 8.139 -0.486 25538 6049 1 13 . 1 1 65 65 LEU N N 65 115.332 115.332 120.644 -5.312 25538 6050 1 13 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.505 -0.070 25538 6051 1 13 . 1 1 65 65 LEU C C 65 175.979 175.979 175.542 0.437 25538 6052 1 13 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.943 0.658 25538 6053 1 13 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.683 1.253 25538 6054 1 13 . 1 1 65 65 LEU H H 65 8.059 8.059 8.243 -0.184 25538 6055 1 13 . 1 1 66 66 TYR N N 66 113.240 113.240 114.826 -1.586 25538 6056 1 13 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.097 0.163 25538 6057 1 13 . 1 1 66 66 TYR C C 66 174.107 174.107 173.825 0.282 25538 6058 1 13 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.987 -0.313 25538 6059 1 13 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.857 -1.098 25538 6060 1 13 . 1 1 66 66 TYR H H 66 6.845 6.845 7.233 -0.388 25538 6061 1 13 . 1 1 67 67 ASP N N 67 122.255 122.255 121.098 1.157 25538 6062 1 13 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.847 -0.412 25538 6063 1 13 . 1 1 67 67 ASP C C 67 176.779 176.779 176.943 -0.164 25538 6064 1 13 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.081 0.704 25538 6065 1 13 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.864 -0.505 25538 6066 1 13 . 1 1 67 67 ASP H H 67 8.341 8.341 8.187 0.154 25538 6067 1 13 . 1 1 68 68 GLN N N 68 123.090 123.090 123.685 -0.595 25538 6068 1 13 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.185 -0.304 25538 6069 1 13 . 1 1 68 68 GLN C C 68 177.122 177.122 176.478 0.644 25538 6070 1 13 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.931 0.959 25538 6071 1 13 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.698 0.367 25538 6072 1 13 . 1 1 68 68 GLN H H 68 8.552 8.552 8.703 -0.151 25538 6073 1 13 . 1 1 69 69 GLN N N 69 115.295 115.295 119.114 -3.819 25538 6074 1 13 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.461 -0.122 25538 6075 1 13 . 1 1 69 69 GLN C C 69 176.272 176.272 176.734 -0.462 25538 6076 1 13 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.770 0.165 25538 6077 1 13 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.625 -0.709 25538 6078 1 13 . 1 1 69 69 GLN H H 69 8.347 8.347 8.497 -0.150 25538 6079 1 13 . 1 1 70 70 GLU N N 70 122.341 122.341 122.786 -0.445 25538 6080 1 13 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.513 -0.022 25538 6081 1 13 . 1 1 70 70 GLU C C 70 175.832 175.832 176.232 -0.400 25538 6082 1 13 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.029 0.057 25538 6083 1 13 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.384 1.154 25538 6084 1 13 . 1 1 70 70 GLU H H 70 8.237 8.237 8.644 -0.407 25538 6085 1 13 . 1 1 71 71 GLN N N 71 119.185 119.185 119.222 -0.037 25538 6086 1 13 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.321 0.180 25538 6087 1 13 . 1 1 71 71 GLN C C 71 173.848 173.848 176.261 -2.413 25538 6088 1 13 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.033 1.767 25538 6089 1 13 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.950 -0.768 25538 6090 1 13 . 1 1 71 71 GLN H H 71 8.206 8.206 7.795 0.411 25538 6091 1 13 . 1 1 72 72 HIS N N 72 109.549 109.549 111.647 -2.098 25538 6092 1 13 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.454 -0.274 25538 6093 1 13 . 1 1 72 72 HIS C C 72 175.790 175.790 174.252 1.538 25538 6094 1 13 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.782 0.499 25538 6095 1 13 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.828 1.247 25538 6096 1 13 . 1 1 72 72 HIS H H 72 7.383 7.383 8.050 -0.667 25538 6097 1 13 . 1 1 73 73 MET N N 73 119.174 119.174 120.741 -1.567 25538 6098 1 13 . 1 1 73 73 MET HA H 73 4.570 4.570 4.710 -0.140 25538 6099 1 13 . 1 1 73 73 MET C C 73 174.242 174.242 173.940 0.302 25538 6100 1 13 . 1 1 73 73 MET CA C 73 53.027 53.027 53.726 -0.699 25538 6101 1 13 . 1 1 73 73 MET CB C 73 31.709 31.709 34.270 -2.561 25538 6102 1 13 . 1 1 73 73 MET H H 73 7.655 7.655 7.462 0.193 25538 6103 1 13 . 1 1 74 74 VAL N N 74 122.522 122.522 126.128 -3.606 25538 6104 1 13 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.237 -0.314 25538 6105 1 13 . 1 1 74 74 VAL C C 74 174.851 174.851 174.514 0.337 25538 6106 1 13 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.715 0.679 25538 6107 1 13 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.172 0.615 25538 6108 1 13 . 1 1 74 74 VAL H H 74 8.443 8.443 8.674 -0.231 25538 6109 1 13 . 1 1 75 75 TYR N N 75 125.773 125.773 124.434 1.339 25538 6110 1 13 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.054 -0.302 25538 6111 1 13 . 1 1 75 75 TYR C C 75 174.923 174.923 176.773 -1.850 25538 6112 1 13 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.445 1.367 25538 6113 1 13 . 1 1 75 75 TYR CB C 75 38.633 38.633 37.920 0.713 25538 6114 1 13 . 1 1 75 75 TYR H H 75 8.256 8.256 8.917 -0.661 25538 6115 1 13 . 1 1 76 76 CYS N N 76 116.702 116.702 123.205 -6.503 25538 6116 1 13 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.428 0.319 25538 6117 1 13 . 1 1 76 76 CYS C C 76 174.231 174.231 176.637 -2.406 25538 6118 1 13 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.683 -3.580 25538 6119 1 13 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.698 3.891 25538 6120 1 13 . 1 1 76 76 CYS H H 76 8.266 8.266 8.570 -0.304 25538 6121 1 13 . 1 1 77 77 GLY N N 77 111.675 111.675 111.209 0.466 25538 6122 1 13 . 1 1 77 77 GLY C C 77 174.662 174.662 174.820 -0.158 25538 6123 1 13 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.152 -0.003 25538 6124 1 13 . 1 1 77 77 GLY H H 77 8.483 8.483 7.926 0.557 25538 6125 1 13 . 1 1 78 78 GLY N N 78 113.022 113.022 107.441 5.581 25538 6126 1 13 . 1 1 78 78 GLY C C 78 172.811 172.811 173.228 -0.417 25538 6127 1 13 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.539 1.213 25538 6128 1 13 . 1 1 78 78 GLY H H 78 8.892 8.892 8.172 0.720 25538 6129 1 13 . 1 1 79 79 ASP N N 79 119.457 119.457 121.053 -1.596 25538 6130 1 13 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.850 0.042 25538 6131 1 13 . 1 1 79 79 ASP C C 79 176.302 176.302 177.302 -1.000 25538 6132 1 13 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.492 -0.445 25538 6133 1 13 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.411 3.860 25538 6134 1 13 . 1 1 79 79 ASP H H 79 7.795 7.795 7.769 0.026 25538 6135 1 13 . 1 1 80 80 LEU N N 80 128.421 128.421 126.855 1.566 25538 6136 1 13 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.093 -0.029 25538 6137 1 13 . 1 1 80 80 LEU C C 80 179.059 179.059 177.923 1.136 25538 6138 1 13 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.961 0.562 25538 6139 1 13 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.246 0.401 25538 6140 1 13 . 1 1 80 80 LEU H H 80 8.549 8.549 8.764 -0.215 25538 6141 1 13 . 1 1 81 81 LEU N N 81 118.678 118.678 119.843 -1.165 25538 6142 1 13 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.081 -0.214 25538 6143 1 13 . 1 1 81 81 LEU C C 81 178.542 178.542 178.719 -0.177 25538 6144 1 13 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.186 0.340 25538 6145 1 13 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.246 1.403 25538 6146 1 13 . 1 1 81 81 LEU H H 81 9.974 9.974 9.112 0.862 25538 6147 1 13 . 1 1 82 82 GLY N N 82 105.642 105.642 105.828 -0.186 25538 6148 1 13 . 1 1 82 82 GLY C C 82 176.907 176.907 176.571 0.336 25538 6149 1 13 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.223 0.770 25538 6150 1 13 . 1 1 82 82 GLY H H 82 7.543 7.543 7.807 -0.264 25538 6151 1 13 . 1 1 83 83 GLU N N 83 121.762 121.762 122.656 -0.894 25538 6152 1 13 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.079 -0.097 25538 6153 1 13 . 1 1 83 83 GLU C C 83 179.215 179.215 179.308 -0.093 25538 6154 1 13 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.390 -0.229 25538 6155 1 13 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.543 -0.072 25538 6156 1 13 . 1 1 83 83 GLU H H 83 7.537 7.537 8.301 -0.764 25538 6157 1 13 . 1 1 84 84 LEU N N 84 118.478 118.478 118.057 0.421 25538 6158 1 13 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.142 -0.118 25538 6159 1 13 . 1 1 84 84 LEU C C 84 178.842 178.842 178.566 0.276 25538 6160 1 13 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.754 0.721 25538 6161 1 13 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.998 0.394 25538 6162 1 13 . 1 1 84 84 LEU H H 84 7.717 7.717 8.133 -0.416 25538 6163 1 13 . 1 1 85 85 LEU N N 85 115.268 115.268 114.178 1.090 25538 6164 1 13 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.185 -0.408 25538 6165 1 13 . 1 1 85 85 LEU C C 85 177.773 177.773 177.853 -0.080 25538 6166 1 13 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.150 0.225 25538 6167 1 13 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.811 1.082 25538 6168 1 13 . 1 1 85 85 LEU H H 85 8.091 8.091 7.934 0.157 25538 6169 1 13 . 1 1 86 86 GLY N N 86 107.339 107.339 106.764 0.575 25538 6170 1 13 . 1 1 86 86 GLY C C 86 174.143 174.143 174.205 -0.062 25538 6171 1 13 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.927 1.388 25538 6172 1 13 . 1 1 86 86 GLY H H 86 7.993 7.993 8.005 -0.012 25538 6173 1 13 . 1 1 87 87 ARG N N 87 113.292 113.292 119.953 -6.661 25538 6174 1 13 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.628 0.026 25538 6175 1 13 . 1 1 87 87 ARG C C 87 174.720 174.720 175.480 -0.760 25538 6176 1 13 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.124 -0.964 25538 6177 1 13 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.425 2.031 25538 6178 1 13 . 1 1 87 87 ARG H H 87 7.407 7.407 7.526 -0.119 25538 6179 1 13 . 1 1 88 88 GLN N N 88 116.042 116.042 122.426 -6.384 25538 6180 1 13 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.371 -0.325 25538 6181 1 13 . 1 1 88 88 GLN C C 88 175.946 175.946 174.772 1.174 25538 6182 1 13 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.262 -0.087 25538 6183 1 13 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.354 0.436 25538 6184 1 13 . 1 1 88 88 GLN H H 88 8.660 8.660 8.712 -0.052 25538 6185 1 13 . 1 1 89 89 SER N N 89 110.533 110.533 110.458 0.075 25538 6186 1 13 . 1 1 89 89 SER HA H 89 5.431 5.431 4.880 0.551 25538 6187 1 13 . 1 1 89 89 SER C C 89 173.062 173.062 173.008 0.054 25538 6188 1 13 . 1 1 89 89 SER CA C 89 57.019 57.019 56.513 0.506 25538 6189 1 13 . 1 1 89 89 SER CB C 89 66.577 66.577 65.822 0.755 25538 6190 1 13 . 1 1 89 89 SER H H 89 7.620 7.620 7.455 0.165 25538 6191 1 13 . 1 1 90 90 PHE N N 90 115.219 115.219 117.086 -1.867 25538 6192 1 13 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.904 -0.209 25538 6193 1 13 . 1 1 90 90 PHE C C 90 175.233 175.233 172.424 2.809 25538 6194 1 13 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.899 0.196 25538 6195 1 13 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.452 -0.106 25538 6196 1 13 . 1 1 90 90 PHE H H 90 8.557 8.557 7.636 0.921 25538 6197 1 13 . 1 1 91 91 SER N N 91 113.681 113.681 114.347 -0.666 25538 6198 1 13 . 1 1 91 91 SER HA H 91 5.391 5.391 5.253 0.138 25538 6199 1 13 . 1 1 91 91 SER CA C 91 54.564 54.564 54.868 -0.304 25538 6200 1 13 . 1 1 91 91 SER CB C 91 65.366 65.366 66.144 -0.778 25538 6201 1 13 . 1 1 91 91 SER H H 91 9.006 9.006 8.217 0.789 25538 6202 1 13 . 1 1 92 92 VAL N N 92 121.388 121.388 124.496 -3.108 25538 6203 1 13 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.828 0.115 25538 6204 1 13 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.283 -1.088 25538 6205 1 13 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.759 -0.527 25538 6206 1 13 . 1 1 92 92 VAL H H 92 8.983 8.983 8.907 0.076 25538 6207 1 13 . 1 1 93 93 LYS N N 93 116.161 116.161 118.430 -2.269 25538 6208 1 13 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.304 -0.321 25538 6209 1 13 . 1 1 93 93 LYS C C 93 177.088 177.088 176.320 0.768 25538 6210 1 13 . 1 1 93 93 LYS CA C 93 57.181 57.181 57.601 -0.420 25538 6211 1 13 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.822 -0.698 25538 6212 1 13 . 1 1 93 93 LYS H H 93 8.078 8.078 7.617 0.461 25538 6213 1 13 . 1 1 94 94 ASP N N 94 115.406 115.406 118.320 -2.914 25538 6214 1 13 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.028 -0.079 25538 6215 1 13 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.350 0.207 25538 6216 1 13 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.268 0.177 25538 6217 1 13 . 1 1 94 94 ASP H H 94 7.385 7.385 7.449 -0.064 25538 6218 1 13 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.753 -0.316 25538 6219 1 13 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.355 0.534 25538 6220 1 13 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.444 1.316 25538 6221 1 13 . 1 1 96 96 SER N N 96 118.819 118.819 117.392 1.427 25538 6222 1 13 . 1 1 96 96 SER HA H 96 4.220 4.220 4.354 -0.134 25538 6223 1 13 . 1 1 96 96 SER CA C 96 64.406 64.406 63.668 0.738 25538 6224 1 13 . 1 1 96 96 SER CB C 96 61.862 61.862 61.208 0.654 25538 6225 1 13 . 1 1 96 96 SER H H 96 8.104 8.104 7.923 0.181 25538 6226 1 13 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.388 -0.039 25538 6227 1 13 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.355 0.556 25538 6228 1 13 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.436 0.059 25538 6229 1 13 . 1 1 98 98 LEU N N 98 118.063 118.063 120.597 -2.534 25538 6230 1 13 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.746 -0.143 25538 6231 1 13 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.507 -0.406 25538 6232 1 13 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.338 0.058 25538 6233 1 13 . 1 1 98 98 LEU H H 98 7.087 7.087 6.998 0.089 25538 6234 1 13 . 1 1 99 99 TYR N N 99 118.063 118.063 118.197 -0.134 25538 6235 1 13 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.016 0.128 25538 6236 1 13 . 1 1 99 99 TYR C C 99 178.914 178.914 177.957 0.957 25538 6237 1 13 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.520 -1.252 25538 6238 1 13 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.879 -0.911 25538 6239 1 13 . 1 1 99 99 TYR H H 99 7.594 7.594 8.435 -0.841 25538 6240 1 13 . 1 1 100 100 ASP N N 100 119.682 119.682 119.874 -0.192 25538 6241 1 13 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.321 0.005 25538 6242 1 13 . 1 1 100 100 ASP C C 100 177.737 177.737 178.276 -0.539 25538 6243 1 13 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.308 0.567 25538 6244 1 13 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.891 0.197 25538 6245 1 13 . 1 1 100 100 ASP H H 100 8.315 8.315 7.960 0.355 25538 6246 1 13 . 1 1 101 101 MET N N 101 118.784 118.784 118.270 0.514 25538 6247 1 13 . 1 1 101 101 MET HA H 101 3.969 3.969 4.147 -0.178 25538 6248 1 13 . 1 1 101 101 MET C C 101 180.080 180.080 177.986 2.094 25538 6249 1 13 . 1 1 101 101 MET CA C 101 59.420 59.420 58.485 0.935 25538 6250 1 13 . 1 1 101 101 MET CB C 101 31.642 31.642 32.200 -0.558 25538 6251 1 13 . 1 1 101 101 MET H H 101 7.245 7.245 7.800 -0.555 25538 6252 1 13 . 1 1 102 102 LEU N N 102 121.572 121.572 120.592 0.980 25538 6253 1 13 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.849 -0.148 25538 6254 1 13 . 1 1 102 102 LEU C C 102 178.566 178.566 179.379 -0.813 25538 6255 1 13 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.631 1.112 25538 6256 1 13 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.425 0.021 25538 6257 1 13 . 1 1 102 102 LEU H H 102 8.471 8.471 8.157 0.314 25538 6258 1 13 . 1 1 103 103 ARG N N 103 117.180 117.180 115.918 1.262 25538 6259 1 13 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.280 -0.310 25538 6260 1 13 . 1 1 103 103 ARG C C 103 178.818 178.818 177.657 1.161 25538 6261 1 13 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.333 1.170 25538 6262 1 13 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.276 -0.060 25538 6263 1 13 . 1 1 103 103 ARG H H 103 7.933 7.933 8.076 -0.143 25538 6264 1 13 . 1 1 104 104 LYS N N 104 114.206 114.206 117.026 -2.820 25538 6265 1 13 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.332 -0.116 25538 6266 1 13 . 1 1 104 104 LYS C C 104 177.556 177.556 176.663 0.893 25538 6267 1 13 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.163 0.590 25538 6268 1 13 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.544 1.556 25538 6269 1 13 . 1 1 104 104 LYS H H 104 7.171 7.171 7.394 -0.223 25538 6270 1 13 . 1 1 105 105 ASN N N 105 114.097 114.097 118.323 -4.226 25538 6271 1 13 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.959 -0.228 25538 6272 1 13 . 1 1 105 105 ASN C C 105 172.822 172.822 175.861 -3.039 25538 6273 1 13 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.486 0.357 25538 6274 1 13 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.677 1.664 25538 6275 1 13 . 1 1 105 105 ASN H H 105 7.661 7.661 7.796 -0.135 25538 6276 1 13 . 1 1 106 106 LEU N N 106 118.656 118.656 117.265 1.391 25538 6277 1 13 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.773 -0.102 25538 6278 1 13 . 1 1 106 106 LEU C C 106 175.658 175.658 178.355 -2.697 25538 6279 1 13 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.933 -0.775 25538 6280 1 13 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.764 0.846 25538 6281 1 13 . 1 1 106 106 LEU H H 106 7.440 7.440 8.162 -0.722 25538 6282 1 13 . 1 1 107 107 VAL N N 107 122.765 122.765 116.821 5.944 25538 6283 1 13 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.190 0.024 25538 6284 1 13 . 1 1 107 107 VAL C C 107 176.054 176.054 175.484 0.570 25538 6285 1 13 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.144 -0.001 25538 6286 1 13 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.821 3.735 25538 6287 1 13 . 1 1 107 107 VAL H H 107 8.158 8.158 8.125 0.033 25538 6288 1 13 . 1 1 108 108 THR N N 108 120.921 120.921 114.983 5.938 25538 6289 1 13 . 1 1 108 108 THR HA H 108 4.332 4.332 4.049 0.283 25538 6290 1 13 . 1 1 108 108 THR C C 108 174.216 174.216 173.632 0.584 25538 6291 1 13 . 1 1 108 108 THR CA C 108 62.726 62.726 63.438 -0.712 25538 6292 1 13 . 1 1 108 108 THR CB C 108 69.777 69.777 68.572 1.205 25538 6293 1 13 . 1 1 108 108 THR H H 108 8.524 8.524 8.089 0.435 25538 6294 1 13 . 1 1 109 109 LEU N N 109 125.518 125.518 122.110 3.408 25538 6295 1 13 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.491 -0.136 25538 6296 1 13 . 1 1 109 109 LEU C C 109 176.523 176.523 176.445 0.078 25538 6297 1 13 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.645 0.402 25538 6298 1 13 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.622 -0.032 25538 6299 1 13 . 1 1 109 109 LEU H H 109 8.312 8.312 8.069 0.243 25538 6300 1 13 . 1 1 110 110 ALA N N 110 125.099 125.099 125.169 -0.070 25538 6301 1 13 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.745 -0.379 25538 6302 1 13 . 1 1 110 110 ALA C C 110 176.847 176.847 175.744 1.103 25538 6303 1 13 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.931 0.697 25538 6304 1 13 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.923 -1.217 25538 6305 1 13 . 1 1 110 110 ALA H H 110 8.257 8.257 8.280 -0.023 25538 6306 1 14 . 1 1 24 24 ILE N N 24 120.669 120.669 122.260 -1.591 25538 6307 1 14 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.988 0.159 25538 6308 1 14 . 1 1 24 24 ILE C C 24 175.650 175.650 176.183 -0.533 25538 6309 1 14 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.178 -0.837 25538 6310 1 14 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.678 1.299 25538 6311 1 14 . 1 1 24 24 ILE H H 24 8.122 8.122 8.452 -0.330 25538 6312 1 14 . 1 1 25 25 ASN N N 25 121.886 121.886 124.639 -2.753 25538 6313 1 14 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.637 0.065 25538 6314 1 14 . 1 1 25 25 ASN C C 25 174.775 174.775 174.545 0.230 25538 6315 1 14 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.682 0.048 25538 6316 1 14 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.306 -0.005 25538 6317 1 14 . 1 1 25 25 ASN H H 25 8.436 8.436 8.985 -0.549 25538 6318 1 14 . 1 1 26 26 GLN N N 26 118.706 118.706 118.415 0.291 25538 6319 1 14 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.540 0.042 25538 6320 1 14 . 1 1 26 26 GLN C C 26 175.291 175.291 173.952 1.339 25538 6321 1 14 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.301 0.339 25538 6322 1 14 . 1 1 26 26 GLN CB C 26 32.218 32.218 31.659 0.559 25538 6323 1 14 . 1 1 26 26 GLN H H 26 8.208 8.208 7.754 0.454 25538 6324 1 14 . 1 1 27 27 VAL N N 27 113.658 113.658 120.580 -6.922 25538 6325 1 14 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.299 0.577 25538 6326 1 14 . 1 1 27 27 VAL C C 27 173.900 173.900 173.903 -0.003 25538 6327 1 14 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.418 -2.302 25538 6328 1 14 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.858 0.156 25538 6329 1 14 . 1 1 27 27 VAL H H 27 9.401 9.401 8.351 1.050 25538 6330 1 14 . 1 1 28 28 ARG N N 28 121.535 121.535 122.047 -0.512 25538 6331 1 14 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.826 0.631 25538 6332 1 14 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.972 -0.401 25538 6333 1 14 . 1 1 28 28 ARG CB C 28 33.652 33.652 31.126 2.526 25538 6334 1 14 . 1 1 28 28 ARG H H 28 8.904 8.904 8.361 0.543 25538 6335 1 14 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.725 0.284 25538 6336 1 14 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.822 0.118 25538 6337 1 14 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.642 -1.388 25538 6338 1 14 . 1 1 30 30 LYS N N 30 121.258 121.258 119.615 1.643 25538 6339 1 14 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.452 -0.251 25538 6340 1 14 . 1 1 30 30 LYS C C 30 177.557 177.557 177.479 0.078 25538 6341 1 14 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.684 2.701 25538 6342 1 14 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.983 -1.133 25538 6343 1 14 . 1 1 30 30 LYS H H 30 8.477 8.477 8.138 0.339 25538 6344 1 14 . 1 1 31 31 LEU N N 31 121.577 121.577 126.810 -5.233 25538 6345 1 14 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.202 -0.140 25538 6346 1 14 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.568 0.628 25538 6347 1 14 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.387 0.388 25538 6348 1 14 . 1 1 31 31 LEU H H 31 8.599 8.599 8.978 -0.379 25538 6349 1 14 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.238 -0.101 25538 6350 1 14 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.197 1.288 25538 6351 1 14 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.141 0.445 25538 6352 1 14 . 1 1 33 33 LEU N N 33 113.299 113.299 118.802 -5.503 25538 6353 1 14 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.359 -0.384 25538 6354 1 14 . 1 1 33 33 LEU C C 33 177.726 177.726 177.760 -0.034 25538 6355 1 14 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.528 0.612 25538 6356 1 14 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.804 -0.974 25538 6357 1 14 . 1 1 33 33 LEU H H 33 6.610 6.610 7.508 -0.898 25538 6358 1 14 . 1 1 34 34 LEU N N 34 121.730 121.730 122.002 -0.272 25538 6359 1 14 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.839 -0.443 25538 6360 1 14 . 1 1 34 34 LEU C C 34 177.467 177.467 178.466 -0.999 25538 6361 1 14 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.609 -0.348 25538 6362 1 14 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.125 0.711 25538 6363 1 14 . 1 1 34 34 LEU H H 34 8.411 8.411 8.728 -0.317 25538 6364 1 14 . 1 1 35 35 LYS N N 35 114.927 114.927 117.021 -2.094 25538 6365 1 14 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.936 -0.132 25538 6366 1 14 . 1 1 35 35 LYS C C 35 180.207 180.207 179.180 1.027 25538 6367 1 14 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.645 1.495 25538 6368 1 14 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.630 0.939 25538 6369 1 14 . 1 1 35 35 LYS H H 35 7.964 7.964 8.233 -0.269 25538 6370 1 14 . 1 1 36 36 ILE N N 36 119.935 119.935 120.113 -0.178 25538 6371 1 14 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.545 -0.242 25538 6372 1 14 . 1 1 36 36 ILE C C 36 176.418 176.418 177.578 -1.160 25538 6373 1 14 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.556 1.929 25538 6374 1 14 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.341 1.288 25538 6375 1 14 . 1 1 36 36 ILE H H 36 6.739 6.739 7.520 -0.781 25538 6376 1 14 . 1 1 37 37 LEU N N 37 116.682 116.682 120.751 -4.069 25538 6377 1 14 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.467 0.061 25538 6378 1 14 . 1 1 37 37 LEU C C 37 180.263 180.263 179.084 1.179 25538 6379 1 14 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.167 0.058 25538 6380 1 14 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.812 -1.669 25538 6381 1 14 . 1 1 37 37 LEU H H 37 7.633 7.633 7.603 0.030 25538 6382 1 14 . 1 1 38 38 HIS N N 38 117.463 117.463 117.850 -0.387 25538 6383 1 14 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.153 0.529 25538 6384 1 14 . 1 1 38 38 HIS C C 38 179.936 179.936 177.865 2.071 25538 6385 1 14 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.006 -1.715 25538 6386 1 14 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.846 0.886 25538 6387 1 14 . 1 1 38 38 HIS H H 38 8.932 8.932 8.574 0.358 25538 6388 1 14 . 1 1 39 39 ALA N N 39 124.102 124.102 121.756 2.346 25538 6389 1 14 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.137 0.114 25538 6390 1 14 . 1 1 39 39 ALA C C 39 178.764 178.764 178.637 0.127 25538 6391 1 14 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.189 0.934 25538 6392 1 14 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.597 -0.486 25538 6393 1 14 . 1 1 39 39 ALA H H 39 7.951 7.951 8.070 -0.119 25538 6394 1 14 . 1 1 40 40 ALA N N 40 118.164 118.164 118.765 -0.601 25538 6395 1 14 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.349 0.072 25538 6396 1 14 . 1 1 40 40 ALA C C 40 176.261 176.261 177.586 -1.325 25538 6397 1 14 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.739 -0.603 25538 6398 1 14 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.155 1.957 25538 6399 1 14 . 1 1 40 40 ALA H H 40 7.647 7.647 7.985 -0.338 25538 6400 1 14 . 1 1 41 41 GLY N N 41 103.894 103.894 104.567 -0.673 25538 6401 1 14 . 1 1 41 41 GLY C C 41 174.412 174.412 174.350 0.062 25538 6402 1 14 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.573 0.281 25538 6403 1 14 . 1 1 41 41 GLY H H 41 7.677 7.677 7.792 -0.115 25538 6404 1 14 . 1 1 42 42 ALA N N 42 123.549 123.549 122.110 1.439 25538 6405 1 14 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.348 -0.718 25538 6406 1 14 . 1 1 42 42 ALA C C 42 175.956 175.956 175.036 0.920 25538 6407 1 14 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.633 1.047 25538 6408 1 14 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.184 -0.951 25538 6409 1 14 . 1 1 42 42 ALA H H 42 7.559 7.559 7.631 -0.072 25538 6410 1 14 . 1 1 43 43 GLN N N 43 117.516 117.516 118.229 -0.713 25538 6411 1 14 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.625 0.753 25538 6412 1 14 . 1 1 43 43 GLN C C 43 175.528 175.528 175.114 0.414 25538 6413 1 14 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.690 -1.071 25538 6414 1 14 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.578 1.618 25538 6415 1 14 . 1 1 43 43 GLN H H 43 8.531 8.531 8.393 0.138 25538 6416 1 14 . 1 1 44 44 GLY N N 44 108.084 108.084 112.391 -4.307 25538 6417 1 14 . 1 1 44 44 GLY C C 44 174.073 174.073 174.424 -0.351 25538 6418 1 14 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.773 -0.150 25538 6419 1 14 . 1 1 44 44 GLY H H 44 8.535 8.535 8.286 0.249 25538 6420 1 14 . 1 1 45 45 GLU N N 45 114.485 114.485 122.129 -7.644 25538 6421 1 14 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.930 0.680 25538 6422 1 14 . 1 1 45 45 GLU C C 45 174.007 174.007 174.524 -0.517 25538 6423 1 14 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.647 1.203 25538 6424 1 14 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.374 4.661 25538 6425 1 14 . 1 1 45 45 GLU H H 45 8.293 8.293 8.809 -0.516 25538 6426 1 14 . 1 1 46 46 MET N N 46 115.370 115.370 119.670 -4.300 25538 6427 1 14 . 1 1 46 46 MET HA H 46 5.047 5.047 4.529 0.518 25538 6428 1 14 . 1 1 46 46 MET C C 46 174.637 174.637 173.423 1.214 25538 6429 1 14 . 1 1 46 46 MET CA C 46 54.239 54.239 54.770 -0.531 25538 6430 1 14 . 1 1 46 46 MET CB C 46 35.727 35.727 33.544 2.183 25538 6431 1 14 . 1 1 46 46 MET H H 46 6.871 6.871 6.892 -0.021 25538 6432 1 14 . 1 1 47 47 PHE N N 47 118.922 118.922 121.280 -2.358 25538 6433 1 14 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.940 0.164 25538 6434 1 14 . 1 1 47 47 PHE C C 47 175.742 175.742 174.466 1.276 25538 6435 1 14 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.666 2.699 25538 6436 1 14 . 1 1 47 47 PHE CB C 47 46.882 46.882 41.335 5.547 25538 6437 1 14 . 1 1 47 47 PHE H H 47 8.611 8.611 7.528 1.083 25538 6438 1 14 . 1 1 48 48 THR N N 48 110.603 110.603 111.581 -0.978 25538 6439 1 14 . 1 1 48 48 THR HA H 48 4.982 4.982 4.488 0.494 25538 6440 1 14 . 1 1 48 48 THR C C 48 176.666 176.666 176.021 0.645 25538 6441 1 14 . 1 1 48 48 THR CA C 48 61.021 61.021 60.447 0.574 25538 6442 1 14 . 1 1 48 48 THR CB C 48 71.136 71.136 70.472 0.664 25538 6443 1 14 . 1 1 48 48 THR H H 48 9.113 9.113 8.170 0.943 25538 6444 1 14 . 1 1 49 49 VAL N N 49 121.595 121.595 121.127 0.468 25538 6445 1 14 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.655 -0.262 25538 6446 1 14 . 1 1 49 49 VAL C C 49 177.726 177.726 177.563 0.163 25538 6447 1 14 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.980 1.229 25538 6448 1 14 . 1 1 49 49 VAL CB C 49 31.361 31.361 32.054 -0.693 25538 6449 1 14 . 1 1 49 49 VAL H H 49 9.074 9.074 8.879 0.195 25538 6450 1 14 . 1 1 50 50 LYS N N 50 118.504 118.504 118.656 -0.152 25538 6451 1 14 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.011 -0.052 25538 6452 1 14 . 1 1 50 50 LYS C C 50 180.060 180.060 179.043 1.017 25538 6453 1 14 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.966 -0.046 25538 6454 1 14 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.890 0.917 25538 6455 1 14 . 1 1 50 50 LYS H H 50 8.131 8.131 8.568 -0.437 25538 6456 1 14 . 1 1 51 51 GLU N N 51 119.547 119.547 119.366 0.181 25538 6457 1 14 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.161 -0.123 25538 6458 1 14 . 1 1 51 51 GLU C C 51 178.583 178.583 178.901 -0.318 25538 6459 1 14 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.682 1.174 25538 6460 1 14 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.651 1.751 25538 6461 1 14 . 1 1 51 51 GLU H H 51 7.882 7.882 7.788 0.094 25538 6462 1 14 . 1 1 52 52 VAL N N 52 119.078 119.078 121.365 -2.287 25538 6463 1 14 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.589 -0.335 25538 6464 1 14 . 1 1 52 52 VAL C C 52 177.546 177.546 178.550 -1.004 25538 6465 1 14 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.821 1.040 25538 6466 1 14 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.707 -0.476 25538 6467 1 14 . 1 1 52 52 VAL H H 52 8.258 8.258 8.754 -0.496 25538 6468 1 14 . 1 1 53 53 MET N N 53 114.606 114.606 116.690 -2.084 25538 6469 1 14 . 1 1 53 53 MET HA H 53 4.231 4.231 4.168 0.063 25538 6470 1 14 . 1 1 53 53 MET C C 53 178.640 178.640 178.419 0.221 25538 6471 1 14 . 1 1 53 53 MET CA C 53 57.902 57.902 56.764 1.138 25538 6472 1 14 . 1 1 53 53 MET CB C 53 32.640 32.640 30.784 1.856 25538 6473 1 14 . 1 1 53 53 MET H H 53 8.201 8.201 8.591 -0.390 25538 6474 1 14 . 1 1 54 54 HIS N N 54 118.707 118.707 121.313 -2.606 25538 6475 1 14 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.078 0.068 25538 6476 1 14 . 1 1 54 54 HIS C C 54 178.531 178.531 177.324 1.207 25538 6477 1 14 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.897 -0.885 25538 6478 1 14 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.618 0.542 25538 6479 1 14 . 1 1 54 54 HIS H H 54 8.122 8.122 7.702 0.420 25538 6480 1 14 . 1 1 55 55 TYR N N 55 116.875 116.875 118.023 -1.148 25538 6481 1 14 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.003 -0.135 25538 6482 1 14 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.686 2.051 25538 6483 1 14 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.613 1.421 25538 6484 1 14 . 1 1 55 55 TYR H H 55 8.480 8.480 8.334 0.146 25538 6485 1 14 . 1 1 56 56 LEU N N 56 120.976 120.976 119.745 1.231 25538 6486 1 14 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.882 -0.051 25538 6487 1 14 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.745 0.618 25538 6488 1 14 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.541 0.851 25538 6489 1 14 . 1 1 56 56 LEU H H 56 8.452 8.452 8.342 0.110 25538 6490 1 14 . 1 1 57 57 GLY N N 57 105.050 105.050 106.759 -1.709 25538 6491 1 14 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.209 -0.062 25538 6492 1 14 . 1 1 57 57 GLY H H 57 7.710 7.710 8.646 -0.936 25538 6493 1 14 . 1 1 58 58 GLN N N 58 119.017 119.017 121.758 -2.741 25538 6494 1 14 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.921 -0.094 25538 6495 1 14 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.330 0.348 25538 6496 1 14 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.083 0.792 25538 6497 1 14 . 1 1 58 58 GLN H H 58 7.649 7.649 8.231 -0.582 25538 6498 1 14 . 1 1 59 59 TYR N N 59 120.995 120.995 122.239 -1.244 25538 6499 1 14 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.178 -0.374 25538 6500 1 14 . 1 1 59 59 TYR C C 59 176.215 176.215 177.331 -1.116 25538 6501 1 14 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.160 0.405 25538 6502 1 14 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.744 -0.141 25538 6503 1 14 . 1 1 59 59 TYR H H 59 8.500 8.500 8.191 0.309 25538 6504 1 14 . 1 1 60 60 ILE N N 60 116.781 116.781 120.121 -3.340 25538 6505 1 14 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.561 -0.286 25538 6506 1 14 . 1 1 60 60 ILE C C 60 177.952 177.952 178.335 -0.383 25538 6507 1 14 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.659 0.011 25538 6508 1 14 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.900 0.658 25538 6509 1 14 . 1 1 60 60 ILE H H 60 7.612 7.612 8.438 -0.826 25538 6510 1 14 . 1 1 61 61 MET N N 61 115.626 115.626 117.549 -1.923 25538 6511 1 14 . 1 1 61 61 MET HA H 61 4.529 4.529 4.124 0.405 25538 6512 1 14 . 1 1 61 61 MET C C 61 180.579 180.579 178.729 1.850 25538 6513 1 14 . 1 1 61 61 MET CA C 61 57.662 57.662 57.602 0.060 25538 6514 1 14 . 1 1 61 61 MET CB C 61 31.449 31.449 31.566 -0.117 25538 6515 1 14 . 1 1 61 61 MET H H 61 7.717 7.717 8.046 -0.329 25538 6516 1 14 . 1 1 62 62 VAL N N 62 120.907 120.907 118.489 2.418 25538 6517 1 14 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.696 0.133 25538 6518 1 14 . 1 1 62 62 VAL C C 62 178.786 178.786 177.941 0.845 25538 6519 1 14 . 1 1 62 62 VAL CA C 62 66.001 66.001 64.992 1.009 25538 6520 1 14 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.959 0.024 25538 6521 1 14 . 1 1 62 62 VAL H H 62 9.021 9.021 8.217 0.804 25538 6522 1 14 . 1 1 63 63 LYS N N 63 116.704 116.704 118.349 -1.645 25538 6523 1 14 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.136 -0.079 25538 6524 1 14 . 1 1 63 63 LYS C C 63 174.784 174.784 175.917 -1.133 25538 6525 1 14 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.754 0.329 25538 6526 1 14 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.353 -1.021 25538 6527 1 14 . 1 1 63 63 LYS H H 63 7.824 7.824 7.933 -0.109 25538 6528 1 14 . 1 1 64 64 GLN N N 64 115.371 115.371 113.675 1.696 25538 6529 1 14 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.187 -0.566 25538 6530 1 14 . 1 1 64 64 GLN C C 64 175.550 175.550 175.650 -0.100 25538 6531 1 14 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.347 0.632 25538 6532 1 14 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.874 0.374 25538 6533 1 14 . 1 1 64 64 GLN H H 64 7.653 7.653 8.193 -0.540 25538 6534 1 14 . 1 1 65 65 LEU N N 65 115.332 115.332 120.091 -4.759 25538 6535 1 14 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.513 -0.078 25538 6536 1 14 . 1 1 65 65 LEU C C 65 175.979 175.979 175.638 0.341 25538 6537 1 14 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.074 0.527 25538 6538 1 14 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.914 1.022 25538 6539 1 14 . 1 1 65 65 LEU H H 65 8.059 8.059 8.106 -0.047 25538 6540 1 14 . 1 1 66 66 TYR N N 66 113.240 113.240 114.608 -1.368 25538 6541 1 14 . 1 1 66 66 TYR HA H 66 5.260 5.260 4.960 0.300 25538 6542 1 14 . 1 1 66 66 TYR C C 66 174.107 174.107 173.765 0.342 25538 6543 1 14 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.950 -0.276 25538 6544 1 14 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.783 -1.024 25538 6545 1 14 . 1 1 66 66 TYR H H 66 6.845 6.845 7.184 -0.339 25538 6546 1 14 . 1 1 67 67 ASP N N 67 122.255 122.255 120.995 1.260 25538 6547 1 14 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.886 -0.451 25538 6548 1 14 . 1 1 67 67 ASP C C 67 176.779 176.779 176.815 -0.036 25538 6549 1 14 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.957 0.829 25538 6550 1 14 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.889 -0.530 25538 6551 1 14 . 1 1 67 67 ASP H H 67 8.341 8.341 8.147 0.194 25538 6552 1 14 . 1 1 68 68 GLN N N 68 123.090 123.090 123.947 -0.857 25538 6553 1 14 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.131 -0.250 25538 6554 1 14 . 1 1 68 68 GLN C C 68 177.122 177.122 176.570 0.552 25538 6555 1 14 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.768 1.121 25538 6556 1 14 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.480 0.585 25538 6557 1 14 . 1 1 68 68 GLN H H 68 8.552 8.552 8.716 -0.164 25538 6558 1 14 . 1 1 69 69 GLN N N 69 115.295 115.295 119.319 -4.024 25538 6559 1 14 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.454 -0.115 25538 6560 1 14 . 1 1 69 69 GLN C C 69 176.272 176.272 176.856 -0.584 25538 6561 1 14 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.525 0.410 25538 6562 1 14 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.477 -0.561 25538 6563 1 14 . 1 1 69 69 GLN H H 69 8.347 8.347 8.529 -0.182 25538 6564 1 14 . 1 1 70 70 GLU N N 70 122.341 122.341 122.256 0.085 25538 6565 1 14 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.566 -0.075 25538 6566 1 14 . 1 1 70 70 GLU C C 70 175.832 175.832 176.310 -0.478 25538 6567 1 14 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.182 -0.096 25538 6568 1 14 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.315 1.223 25538 6569 1 14 . 1 1 70 70 GLU H H 70 8.237 8.237 8.739 -0.502 25538 6570 1 14 . 1 1 71 71 GLN N N 71 119.185 119.185 118.861 0.324 25538 6571 1 14 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.276 0.225 25538 6572 1 14 . 1 1 71 71 GLN C C 71 173.848 173.848 176.613 -2.765 25538 6573 1 14 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.196 1.604 25538 6574 1 14 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.812 -0.630 25538 6575 1 14 . 1 1 71 71 GLN H H 71 8.206 8.206 7.965 0.241 25538 6576 1 14 . 1 1 72 72 HIS N N 72 109.549 109.549 114.083 -4.534 25538 6577 1 14 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.510 -0.330 25538 6578 1 14 . 1 1 72 72 HIS C C 72 175.790 175.790 174.120 1.670 25538 6579 1 14 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.420 0.861 25538 6580 1 14 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.882 1.193 25538 6581 1 14 . 1 1 72 72 HIS H H 72 7.383 7.383 7.947 -0.564 25538 6582 1 14 . 1 1 73 73 MET N N 73 119.174 119.174 120.550 -1.376 25538 6583 1 14 . 1 1 73 73 MET HA H 73 4.570 4.570 4.827 -0.257 25538 6584 1 14 . 1 1 73 73 MET C C 73 174.242 174.242 173.848 0.394 25538 6585 1 14 . 1 1 73 73 MET CA C 73 53.027 53.027 53.523 -0.496 25538 6586 1 14 . 1 1 73 73 MET CB C 73 31.709 31.709 34.259 -2.550 25538 6587 1 14 . 1 1 73 73 MET H H 73 7.655 7.655 7.281 0.374 25538 6588 1 14 . 1 1 74 74 VAL N N 74 122.522 122.522 125.802 -3.280 25538 6589 1 14 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.198 -0.275 25538 6590 1 14 . 1 1 74 74 VAL C C 74 174.851 174.851 174.246 0.605 25538 6591 1 14 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.979 0.415 25538 6592 1 14 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.952 -0.165 25538 6593 1 14 . 1 1 74 74 VAL H H 74 8.443 8.443 8.562 -0.119 25538 6594 1 14 . 1 1 75 75 TYR N N 75 125.773 125.773 125.064 0.709 25538 6595 1 14 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.085 -0.333 25538 6596 1 14 . 1 1 75 75 TYR C C 75 174.923 174.923 175.994 -1.071 25538 6597 1 14 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.193 1.619 25538 6598 1 14 . 1 1 75 75 TYR CB C 75 38.633 38.633 37.785 0.848 25538 6599 1 14 . 1 1 75 75 TYR H H 75 8.256 8.256 8.991 -0.735 25538 6600 1 14 . 1 1 76 76 CYS N N 76 116.702 116.702 118.953 -2.251 25538 6601 1 14 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.693 0.054 25538 6602 1 14 . 1 1 76 76 CYS C C 76 174.231 174.231 176.608 -2.377 25538 6603 1 14 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.276 -2.173 25538 6604 1 14 . 1 1 76 76 CYS CB C 76 29.589 29.589 26.786 2.803 25538 6605 1 14 . 1 1 76 76 CYS H H 76 8.266 8.266 8.110 0.156 25538 6606 1 14 . 1 1 77 77 GLY N N 77 111.675 111.675 110.727 0.948 25538 6607 1 14 . 1 1 77 77 GLY C C 77 174.662 174.662 175.065 -0.403 25538 6608 1 14 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.386 0.763 25538 6609 1 14 . 1 1 77 77 GLY H H 77 8.483 8.483 8.272 0.211 25538 6610 1 14 . 1 1 78 78 GLY N N 78 113.022 113.022 107.428 5.594 25538 6611 1 14 . 1 1 78 78 GLY C C 78 172.811 172.811 173.697 -0.886 25538 6612 1 14 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.350 1.402 25538 6613 1 14 . 1 1 78 78 GLY H H 78 8.892 8.892 8.352 0.540 25538 6614 1 14 . 1 1 79 79 ASP N N 79 119.457 119.457 120.220 -0.763 25538 6615 1 14 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.964 -0.072 25538 6616 1 14 . 1 1 79 79 ASP C C 79 176.302 176.302 176.535 -0.233 25538 6617 1 14 . 1 1 79 79 ASP CA C 79 53.047 53.047 52.831 0.216 25538 6618 1 14 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.861 3.409 25538 6619 1 14 . 1 1 79 79 ASP H H 79 7.795 7.795 7.884 -0.089 25538 6620 1 14 . 1 1 80 80 LEU N N 80 128.421 128.421 124.366 4.055 25538 6621 1 14 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.188 -0.124 25538 6622 1 14 . 1 1 80 80 LEU C C 80 179.059 179.059 179.092 -0.033 25538 6623 1 14 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.653 0.870 25538 6624 1 14 . 1 1 80 80 LEU CB C 80 42.647 42.647 41.752 0.895 25538 6625 1 14 . 1 1 80 80 LEU H H 80 8.549 8.549 9.012 -0.463 25538 6626 1 14 . 1 1 81 81 LEU N N 81 118.678 118.678 120.900 -2.222 25538 6627 1 14 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.077 -0.210 25538 6628 1 14 . 1 1 81 81 LEU C C 81 178.542 178.542 178.480 0.062 25538 6629 1 14 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.258 0.268 25538 6630 1 14 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.291 1.358 25538 6631 1 14 . 1 1 81 81 LEU H H 81 9.974 9.974 9.366 0.608 25538 6632 1 14 . 1 1 82 82 GLY N N 82 105.642 105.642 106.143 -0.501 25538 6633 1 14 . 1 1 82 82 GLY C C 82 176.907 176.907 176.445 0.462 25538 6634 1 14 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.248 0.745 25538 6635 1 14 . 1 1 82 82 GLY H H 82 7.543 7.543 7.745 -0.202 25538 6636 1 14 . 1 1 83 83 GLU N N 83 121.762 121.762 122.068 -0.306 25538 6637 1 14 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.073 -0.091 25538 6638 1 14 . 1 1 83 83 GLU C C 83 179.215 179.215 179.227 -0.012 25538 6639 1 14 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.373 -0.212 25538 6640 1 14 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.417 0.054 25538 6641 1 14 . 1 1 83 83 GLU H H 83 7.537 7.537 8.099 -0.562 25538 6642 1 14 . 1 1 84 84 LEU N N 84 118.478 118.478 120.014 -1.536 25538 6643 1 14 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.122 -0.098 25538 6644 1 14 . 1 1 84 84 LEU C C 84 178.842 178.842 179.322 -0.480 25538 6645 1 14 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.350 0.125 25538 6646 1 14 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.903 0.489 25538 6647 1 14 . 1 1 84 84 LEU H H 84 7.717 7.717 8.158 -0.441 25538 6648 1 14 . 1 1 85 85 LEU N N 85 115.268 115.268 114.163 1.105 25538 6649 1 14 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.164 -0.387 25538 6650 1 14 . 1 1 85 85 LEU C C 85 177.773 177.773 177.800 -0.027 25538 6651 1 14 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.469 -0.094 25538 6652 1 14 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.151 1.742 25538 6653 1 14 . 1 1 85 85 LEU H H 85 8.091 8.091 8.148 -0.057 25538 6654 1 14 . 1 1 86 86 GLY N N 86 107.339 107.339 106.560 0.779 25538 6655 1 14 . 1 1 86 86 GLY C C 86 174.143 174.143 174.417 -0.274 25538 6656 1 14 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.049 1.266 25538 6657 1 14 . 1 1 86 86 GLY H H 86 7.993 7.993 8.062 -0.070 25538 6658 1 14 . 1 1 87 87 ARG N N 87 113.292 113.292 120.272 -6.980 25538 6659 1 14 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.620 0.034 25538 6660 1 14 . 1 1 87 87 ARG C C 87 174.720 174.720 175.398 -0.678 25538 6661 1 14 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.883 -0.723 25538 6662 1 14 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.196 2.260 25538 6663 1 14 . 1 1 87 87 ARG H H 87 7.407 7.407 7.562 -0.155 25538 6664 1 14 . 1 1 88 88 GLN N N 88 116.042 116.042 121.607 -5.565 25538 6665 1 14 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.376 -0.330 25538 6666 1 14 . 1 1 88 88 GLN C C 88 175.946 175.946 174.910 1.036 25538 6667 1 14 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.188 -0.013 25538 6668 1 14 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.390 0.400 25538 6669 1 14 . 1 1 88 88 GLN H H 88 8.660 8.660 8.700 -0.040 25538 6670 1 14 . 1 1 89 89 SER N N 89 110.533 110.533 110.429 0.104 25538 6671 1 14 . 1 1 89 89 SER HA H 89 5.431 5.431 5.148 0.283 25538 6672 1 14 . 1 1 89 89 SER C C 89 173.062 173.062 173.054 0.008 25538 6673 1 14 . 1 1 89 89 SER CA C 89 57.019 57.019 56.654 0.365 25538 6674 1 14 . 1 1 89 89 SER CB C 89 66.577 66.577 66.001 0.576 25538 6675 1 14 . 1 1 89 89 SER H H 89 7.620 7.620 7.432 0.188 25538 6676 1 14 . 1 1 90 90 PHE N N 90 115.219 115.219 117.315 -2.096 25538 6677 1 14 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.941 -0.246 25538 6678 1 14 . 1 1 90 90 PHE C C 90 175.233 175.233 172.663 2.570 25538 6679 1 14 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.602 0.493 25538 6680 1 14 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.614 -0.268 25538 6681 1 14 . 1 1 90 90 PHE H H 90 8.557 8.557 7.856 0.701 25538 6682 1 14 . 1 1 91 91 SER N N 91 113.681 113.681 115.178 -1.497 25538 6683 1 14 . 1 1 91 91 SER HA H 91 5.391 5.391 5.085 0.306 25538 6684 1 14 . 1 1 91 91 SER CA C 91 54.564 54.564 55.113 -0.549 25538 6685 1 14 . 1 1 91 91 SER CB C 91 65.366 65.366 65.382 -0.016 25538 6686 1 14 . 1 1 91 91 SER H H 91 9.006 9.006 8.693 0.313 25538 6687 1 14 . 1 1 92 92 VAL N N 92 121.388 121.388 126.386 -4.998 25538 6688 1 14 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.934 0.009 25538 6689 1 14 . 1 1 92 92 VAL CA C 92 64.195 64.195 63.950 0.245 25538 6690 1 14 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.040 -0.809 25538 6691 1 14 . 1 1 92 92 VAL H H 92 8.983 8.983 9.026 -0.043 25538 6692 1 14 . 1 1 93 93 LYS N N 93 116.161 116.161 118.624 -2.463 25538 6693 1 14 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.296 -0.313 25538 6694 1 14 . 1 1 93 93 LYS C C 93 177.088 177.088 175.878 1.210 25538 6695 1 14 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.924 0.257 25538 6696 1 14 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.832 -0.708 25538 6697 1 14 . 1 1 93 93 LYS H H 93 8.078 8.078 7.627 0.451 25538 6698 1 14 . 1 1 94 94 ASP N N 94 115.406 115.406 118.686 -3.280 25538 6699 1 14 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.047 -0.098 25538 6700 1 14 . 1 1 94 94 ASP CA C 94 51.557 51.557 52.100 -0.543 25538 6701 1 14 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.298 -0.854 25538 6702 1 14 . 1 1 94 94 ASP H H 94 7.385 7.385 7.779 -0.394 25538 6703 1 14 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.657 -0.220 25538 6704 1 14 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.697 0.192 25538 6705 1 14 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.797 0.963 25538 6706 1 14 . 1 1 96 96 SER N N 96 118.819 118.819 117.358 1.461 25538 6707 1 14 . 1 1 96 96 SER HA H 96 4.220 4.220 4.318 -0.098 25538 6708 1 14 . 1 1 96 96 SER CA C 96 64.406 64.406 63.672 0.734 25538 6709 1 14 . 1 1 96 96 SER CB C 96 61.862 61.862 61.149 0.713 25538 6710 1 14 . 1 1 96 96 SER H H 96 8.104 8.104 7.716 0.388 25538 6711 1 14 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.376 -0.027 25538 6712 1 14 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.228 0.683 25538 6713 1 14 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.375 0.120 25538 6714 1 14 . 1 1 98 98 LEU N N 98 118.063 118.063 121.236 -3.173 25538 6715 1 14 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.800 -0.197 25538 6716 1 14 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.311 -0.210 25538 6717 1 14 . 1 1 98 98 LEU CB C 98 41.396 41.396 40.766 0.630 25538 6718 1 14 . 1 1 98 98 LEU H H 98 7.087 7.087 7.171 -0.084 25538 6719 1 14 . 1 1 99 99 TYR N N 99 118.063 118.063 118.337 -0.274 25538 6720 1 14 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.048 0.096 25538 6721 1 14 . 1 1 99 99 TYR C C 99 178.914 178.914 178.181 0.733 25538 6722 1 14 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.625 -1.357 25538 6723 1 14 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.870 -0.902 25538 6724 1 14 . 1 1 99 99 TYR H H 99 7.594 7.594 8.706 -1.112 25538 6725 1 14 . 1 1 100 100 ASP N N 100 119.682 119.682 120.017 -0.335 25538 6726 1 14 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.351 -0.025 25538 6727 1 14 . 1 1 100 100 ASP C C 100 177.737 177.737 178.199 -0.462 25538 6728 1 14 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.218 0.657 25538 6729 1 14 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.851 0.237 25538 6730 1 14 . 1 1 100 100 ASP H H 100 8.315 8.315 8.048 0.267 25538 6731 1 14 . 1 1 101 101 MET N N 101 118.784 118.784 118.241 0.543 25538 6732 1 14 . 1 1 101 101 MET HA H 101 3.969 3.969 4.049 -0.080 25538 6733 1 14 . 1 1 101 101 MET C C 101 180.080 180.080 177.982 2.098 25538 6734 1 14 . 1 1 101 101 MET CA C 101 59.420 59.420 58.927 0.493 25538 6735 1 14 . 1 1 101 101 MET CB C 101 31.642 31.642 32.362 -0.720 25538 6736 1 14 . 1 1 101 101 MET H H 101 7.245 7.245 7.764 -0.519 25538 6737 1 14 . 1 1 102 102 LEU N N 102 121.572 121.572 120.349 1.223 25538 6738 1 14 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.832 -0.131 25538 6739 1 14 . 1 1 102 102 LEU C C 102 178.566 178.566 179.239 -0.673 25538 6740 1 14 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.525 1.218 25538 6741 1 14 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.346 0.100 25538 6742 1 14 . 1 1 102 102 LEU H H 102 8.471 8.471 8.121 0.350 25538 6743 1 14 . 1 1 103 103 ARG N N 103 117.180 117.180 117.028 0.152 25538 6744 1 14 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.033 -0.063 25538 6745 1 14 . 1 1 103 103 ARG C C 103 178.818 178.818 177.388 1.430 25538 6746 1 14 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.860 0.643 25538 6747 1 14 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.303 -0.087 25538 6748 1 14 . 1 1 103 103 ARG H H 103 7.933 7.933 8.196 -0.263 25538 6749 1 14 . 1 1 104 104 LYS N N 104 114.206 114.206 115.928 -1.722 25538 6750 1 14 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.378 -0.162 25538 6751 1 14 . 1 1 104 104 LYS C C 104 177.556 177.556 176.537 1.019 25538 6752 1 14 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.003 0.750 25538 6753 1 14 . 1 1 104 104 LYS CB C 104 34.100 34.100 33.102 0.998 25538 6754 1 14 . 1 1 104 104 LYS H H 104 7.171 7.171 7.523 -0.352 25538 6755 1 14 . 1 1 105 105 ASN N N 105 114.097 114.097 118.288 -4.191 25538 6756 1 14 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.844 -0.113 25538 6757 1 14 . 1 1 105 105 ASN C C 105 172.822 172.822 175.803 -2.981 25538 6758 1 14 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.541 0.302 25538 6759 1 14 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.340 2.001 25538 6760 1 14 . 1 1 105 105 ASN H H 105 7.661 7.661 7.807 -0.146 25538 6761 1 14 . 1 1 106 106 LEU N N 106 118.656 118.656 119.835 -1.179 25538 6762 1 14 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.449 0.222 25538 6763 1 14 . 1 1 106 106 LEU C C 106 175.658 175.658 178.760 -3.102 25538 6764 1 14 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.713 -1.555 25538 6765 1 14 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.718 0.893 25538 6766 1 14 . 1 1 106 106 LEU H H 106 7.440 7.440 8.104 -0.664 25538 6767 1 14 . 1 1 107 107 VAL N N 107 122.765 122.765 117.296 5.469 25538 6768 1 14 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.125 0.089 25538 6769 1 14 . 1 1 107 107 VAL C C 107 176.054 176.054 175.275 0.779 25538 6770 1 14 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.312 -0.169 25538 6771 1 14 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.619 3.937 25538 6772 1 14 . 1 1 107 107 VAL H H 107 8.158 8.158 7.927 0.231 25538 6773 1 14 . 1 1 108 108 THR N N 108 120.921 120.921 113.687 7.234 25538 6774 1 14 . 1 1 108 108 THR HA H 108 4.332 4.332 3.991 0.341 25538 6775 1 14 . 1 1 108 108 THR C C 108 174.216 174.216 173.412 0.804 25538 6776 1 14 . 1 1 108 108 THR CA C 108 62.726 62.726 62.715 0.011 25538 6777 1 14 . 1 1 108 108 THR CB C 108 69.777 69.777 68.509 1.268 25538 6778 1 14 . 1 1 108 108 THR H H 108 8.524 8.524 7.989 0.535 25538 6779 1 14 . 1 1 109 109 LEU N N 109 125.518 125.518 122.447 3.071 25538 6780 1 14 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.479 -0.124 25538 6781 1 14 . 1 1 109 109 LEU C C 109 176.523 176.523 176.050 0.473 25538 6782 1 14 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.331 0.716 25538 6783 1 14 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.670 -0.080 25538 6784 1 14 . 1 1 109 109 LEU H H 109 8.312 8.312 7.928 0.384 25538 6785 1 14 . 1 1 110 110 ALA N N 110 125.099 125.099 125.927 -0.828 25538 6786 1 14 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.709 -0.343 25538 6787 1 14 . 1 1 110 110 ALA C C 110 176.847 176.847 175.948 0.899 25538 6788 1 14 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.842 0.786 25538 6789 1 14 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.060 -1.354 25538 6790 1 14 . 1 1 110 110 ALA H H 110 8.257 8.257 8.032 0.225 25538 6791 1 15 . 1 1 24 24 ILE N N 24 120.669 120.669 121.265 -0.596 25538 6792 1 15 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.161 -0.014 25538 6793 1 15 . 1 1 24 24 ILE C C 24 175.650 175.650 175.864 -0.214 25538 6794 1 15 . 1 1 24 24 ILE CA C 24 61.342 61.342 60.678 0.664 25538 6795 1 15 . 1 1 24 24 ILE CB C 24 38.977 38.977 36.548 2.429 25538 6796 1 15 . 1 1 24 24 ILE H H 24 8.122 8.122 8.389 -0.267 25538 6797 1 15 . 1 1 25 25 ASN N N 25 121.886 121.886 126.746 -4.860 25538 6798 1 15 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.938 -0.235 25538 6799 1 15 . 1 1 25 25 ASN C C 25 174.775 174.775 174.146 0.629 25538 6800 1 15 . 1 1 25 25 ASN CA C 25 53.730 53.730 51.990 1.740 25538 6801 1 15 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.502 -1.201 25538 6802 1 15 . 1 1 25 25 ASN H H 25 8.436 8.436 8.489 -0.053 25538 6803 1 15 . 1 1 26 26 GLN N N 26 118.706 118.706 119.507 -0.801 25538 6804 1 15 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.263 0.319 25538 6805 1 15 . 1 1 26 26 GLN C C 26 175.291 175.291 174.507 0.784 25538 6806 1 15 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.363 -0.723 25538 6807 1 15 . 1 1 26 26 GLN CB C 26 32.218 32.218 28.876 3.342 25538 6808 1 15 . 1 1 26 26 GLN H H 26 8.208 8.208 8.540 -0.332 25538 6809 1 15 . 1 1 27 27 VAL N N 27 113.658 113.658 121.841 -8.183 25538 6810 1 15 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.334 0.542 25538 6811 1 15 . 1 1 27 27 VAL C C 27 173.900 173.900 173.854 0.046 25538 6812 1 15 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.822 -2.706 25538 6813 1 15 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.192 1.822 25538 6814 1 15 . 1 1 27 27 VAL H H 27 9.401 9.401 8.284 1.117 25538 6815 1 15 . 1 1 28 28 ARG N N 28 121.535 121.535 126.608 -5.073 25538 6816 1 15 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.786 0.671 25538 6817 1 15 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.405 -0.834 25538 6818 1 15 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.721 0.931 25538 6819 1 15 . 1 1 28 28 ARG H H 28 8.904 8.904 8.395 0.509 25538 6820 1 15 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.797 0.212 25538 6821 1 15 . 1 1 29 29 PRO CA C 29 61.940 61.940 62.052 -0.112 25538 6822 1 15 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.996 -1.742 25538 6823 1 15 . 1 1 30 30 LYS N N 30 121.258 121.258 118.964 2.294 25538 6824 1 15 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.444 -0.243 25538 6825 1 15 . 1 1 30 30 LYS C C 30 177.557 177.557 177.963 -0.406 25538 6826 1 15 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.819 2.566 25538 6827 1 15 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.475 -0.625 25538 6828 1 15 . 1 1 30 30 LYS H H 30 8.477 8.477 8.211 0.266 25538 6829 1 15 . 1 1 31 31 LEU N N 31 121.577 121.577 126.554 -4.977 25538 6830 1 15 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.218 -0.156 25538 6831 1 15 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.946 0.250 25538 6832 1 15 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.380 -0.605 25538 6833 1 15 . 1 1 31 31 LEU H H 31 8.599 8.599 8.944 -0.345 25538 6834 1 15 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.216 -0.079 25538 6835 1 15 . 1 1 32 32 PRO CA C 32 66.485 66.485 64.922 1.563 25538 6836 1 15 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.999 0.587 25538 6837 1 15 . 1 1 33 33 LEU N N 33 113.299 113.299 118.068 -4.769 25538 6838 1 15 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.336 -0.361 25538 6839 1 15 . 1 1 33 33 LEU C C 33 177.726 177.726 177.921 -0.195 25538 6840 1 15 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.204 0.936 25538 6841 1 15 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.991 -1.161 25538 6842 1 15 . 1 1 33 33 LEU H H 33 6.610 6.610 7.400 -0.790 25538 6843 1 15 . 1 1 34 34 LEU N N 34 121.730 121.730 121.847 -0.117 25538 6844 1 15 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.847 -0.451 25538 6845 1 15 . 1 1 34 34 LEU C C 34 177.467 177.467 178.446 -0.979 25538 6846 1 15 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.586 -0.325 25538 6847 1 15 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.162 0.674 25538 6848 1 15 . 1 1 34 34 LEU H H 34 8.411 8.411 8.815 -0.404 25538 6849 1 15 . 1 1 35 35 LYS N N 35 114.927 114.927 117.001 -2.074 25538 6850 1 15 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.946 -0.142 25538 6851 1 15 . 1 1 35 35 LYS C C 35 180.207 180.207 179.184 1.023 25538 6852 1 15 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.586 1.554 25538 6853 1 15 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.628 0.941 25538 6854 1 15 . 1 1 35 35 LYS H H 35 7.964 7.964 8.158 -0.194 25538 6855 1 15 . 1 1 36 36 ILE N N 36 119.935 119.935 119.809 0.126 25538 6856 1 15 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.464 -0.161 25538 6857 1 15 . 1 1 36 36 ILE C C 36 176.418 176.418 177.766 -1.348 25538 6858 1 15 . 1 1 36 36 ILE CA C 36 64.484 64.484 63.268 1.216 25538 6859 1 15 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.236 1.393 25538 6860 1 15 . 1 1 36 36 ILE H H 36 6.739 6.739 7.487 -0.748 25538 6861 1 15 . 1 1 37 37 LEU N N 37 116.682 116.682 120.091 -3.409 25538 6862 1 15 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.533 -0.005 25538 6863 1 15 . 1 1 37 37 LEU C C 37 180.263 180.263 179.111 1.152 25538 6864 1 15 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.013 0.212 25538 6865 1 15 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.770 -1.628 25538 6866 1 15 . 1 1 37 37 LEU H H 37 7.633 7.633 7.090 0.543 25538 6867 1 15 . 1 1 38 38 HIS N N 38 117.463 117.463 117.902 -0.439 25538 6868 1 15 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.163 0.519 25538 6869 1 15 . 1 1 38 38 HIS C C 38 179.936 179.936 177.887 2.049 25538 6870 1 15 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.027 -1.736 25538 6871 1 15 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.871 0.861 25538 6872 1 15 . 1 1 38 38 HIS H H 38 8.932 8.932 8.559 0.373 25538 6873 1 15 . 1 1 39 39 ALA N N 39 124.102 124.102 121.631 2.471 25538 6874 1 15 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.139 0.112 25538 6875 1 15 . 1 1 39 39 ALA C C 39 178.764 178.764 178.671 0.093 25538 6876 1 15 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.172 0.951 25538 6877 1 15 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.569 -0.458 25538 6878 1 15 . 1 1 39 39 ALA H H 39 7.951 7.951 8.085 -0.134 25538 6879 1 15 . 1 1 40 40 ALA N N 40 118.164 118.164 119.110 -0.946 25538 6880 1 15 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.292 0.129 25538 6881 1 15 . 1 1 40 40 ALA C C 40 176.261 176.261 177.945 -1.684 25538 6882 1 15 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.242 -1.106 25538 6883 1 15 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.315 1.797 25538 6884 1 15 . 1 1 40 40 ALA H H 40 7.647 7.647 7.988 -0.341 25538 6885 1 15 . 1 1 41 41 GLY N N 41 103.894 103.894 104.481 -0.587 25538 6886 1 15 . 1 1 41 41 GLY C C 41 174.412 174.412 174.358 0.054 25538 6887 1 15 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.459 0.396 25538 6888 1 15 . 1 1 41 41 GLY H H 41 7.677 7.677 7.756 -0.079 25538 6889 1 15 . 1 1 42 42 ALA N N 42 123.549 123.549 122.391 1.158 25538 6890 1 15 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.310 -0.680 25538 6891 1 15 . 1 1 42 42 ALA C C 42 175.956 175.956 175.030 0.926 25538 6892 1 15 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.722 0.958 25538 6893 1 15 . 1 1 42 42 ALA CB C 42 19.233 19.233 19.898 -0.665 25538 6894 1 15 . 1 1 42 42 ALA H H 42 7.559 7.559 7.655 -0.096 25538 6895 1 15 . 1 1 43 43 GLN N N 43 117.516 117.516 117.758 -0.242 25538 6896 1 15 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.583 0.795 25538 6897 1 15 . 1 1 43 43 GLN C C 43 175.528 175.528 175.457 0.071 25538 6898 1 15 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.465 -0.846 25538 6899 1 15 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.699 1.497 25538 6900 1 15 . 1 1 43 43 GLN H H 43 8.531 8.531 8.304 0.227 25538 6901 1 15 . 1 1 44 44 GLY N N 44 108.084 108.084 112.738 -4.654 25538 6902 1 15 . 1 1 44 44 GLY C C 44 174.073 174.073 174.699 -0.626 25538 6903 1 15 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.773 -0.150 25538 6904 1 15 . 1 1 44 44 GLY H H 44 8.535 8.535 8.217 0.318 25538 6905 1 15 . 1 1 45 45 GLU N N 45 114.485 114.485 122.505 -8.020 25538 6906 1 15 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.017 0.593 25538 6907 1 15 . 1 1 45 45 GLU C C 45 174.007 174.007 174.671 -0.664 25538 6908 1 15 . 1 1 45 45 GLU CA C 45 56.850 56.850 56.208 0.642 25538 6909 1 15 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.674 4.361 25538 6910 1 15 . 1 1 45 45 GLU H H 45 8.293 8.293 8.800 -0.507 25538 6911 1 15 . 1 1 46 46 MET N N 46 115.370 115.370 119.218 -3.848 25538 6912 1 15 . 1 1 46 46 MET HA H 46 5.047 5.047 4.353 0.694 25538 6913 1 15 . 1 1 46 46 MET C C 46 174.637 174.637 173.851 0.786 25538 6914 1 15 . 1 1 46 46 MET CA C 46 54.239 54.239 54.533 -0.294 25538 6915 1 15 . 1 1 46 46 MET CB C 46 35.727 35.727 34.285 1.442 25538 6916 1 15 . 1 1 46 46 MET H H 46 6.871 6.871 6.877 -0.006 25538 6917 1 15 . 1 1 47 47 PHE N N 47 118.922 118.922 118.785 0.137 25538 6918 1 15 . 1 1 47 47 PHE HA H 47 5.104 5.104 5.079 0.025 25538 6919 1 15 . 1 1 47 47 PHE C C 47 175.742 175.742 175.356 0.386 25538 6920 1 15 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.050 2.315 25538 6921 1 15 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.572 6.310 25538 6922 1 15 . 1 1 47 47 PHE H H 47 8.611 8.611 7.929 0.682 25538 6923 1 15 . 1 1 48 48 THR N N 48 110.603 110.603 112.956 -2.353 25538 6924 1 15 . 1 1 48 48 THR HA H 48 4.982 4.982 4.541 0.441 25538 6925 1 15 . 1 1 48 48 THR C C 48 176.666 176.666 175.998 0.668 25538 6926 1 15 . 1 1 48 48 THR CA C 48 61.021 61.021 60.556 0.465 25538 6927 1 15 . 1 1 48 48 THR CB C 48 71.136 71.136 71.049 0.087 25538 6928 1 15 . 1 1 48 48 THR H H 48 9.113 9.113 9.188 -0.075 25538 6929 1 15 . 1 1 49 49 VAL N N 49 121.595 121.595 121.711 -0.116 25538 6930 1 15 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.652 -0.259 25538 6931 1 15 . 1 1 49 49 VAL C C 49 177.726 177.726 177.219 0.507 25538 6932 1 15 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.690 1.519 25538 6933 1 15 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.787 -0.426 25538 6934 1 15 . 1 1 49 49 VAL H H 49 9.074 9.074 9.020 0.054 25538 6935 1 15 . 1 1 50 50 LYS N N 50 118.504 118.504 116.866 1.638 25538 6936 1 15 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.007 -0.048 25538 6937 1 15 . 1 1 50 50 LYS C C 50 180.060 180.060 178.484 1.576 25538 6938 1 15 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.235 0.685 25538 6939 1 15 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.524 1.283 25538 6940 1 15 . 1 1 50 50 LYS H H 50 8.131 8.131 8.422 -0.291 25538 6941 1 15 . 1 1 51 51 GLU N N 51 119.547 119.547 120.408 -0.861 25538 6942 1 15 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.114 -0.076 25538 6943 1 15 . 1 1 51 51 GLU C C 51 178.583 178.583 178.793 -0.210 25538 6944 1 15 . 1 1 51 51 GLU CA C 51 59.856 59.856 59.060 0.796 25538 6945 1 15 . 1 1 51 51 GLU CB C 51 31.402 31.402 30.121 1.281 25538 6946 1 15 . 1 1 51 51 GLU H H 51 7.882 7.882 7.861 0.021 25538 6947 1 15 . 1 1 52 52 VAL N N 52 119.078 119.078 121.333 -2.255 25538 6948 1 15 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.533 -0.279 25538 6949 1 15 . 1 1 52 52 VAL C C 52 177.546 177.546 178.406 -0.860 25538 6950 1 15 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.932 0.929 25538 6951 1 15 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.687 -0.456 25538 6952 1 15 . 1 1 52 52 VAL H H 52 8.258 8.258 8.735 -0.477 25538 6953 1 15 . 1 1 53 53 MET N N 53 114.606 114.606 116.653 -2.047 25538 6954 1 15 . 1 1 53 53 MET HA H 53 4.231 4.231 4.139 0.092 25538 6955 1 15 . 1 1 53 53 MET C C 53 178.640 178.640 178.557 0.083 25538 6956 1 15 . 1 1 53 53 MET CA C 53 57.902 57.902 57.069 0.833 25538 6957 1 15 . 1 1 53 53 MET CB C 53 32.640 32.640 30.831 1.809 25538 6958 1 15 . 1 1 53 53 MET H H 53 8.201 8.201 8.509 -0.308 25538 6959 1 15 . 1 1 54 54 HIS N N 54 118.707 118.707 120.542 -1.835 25538 6960 1 15 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.139 0.007 25538 6961 1 15 . 1 1 54 54 HIS C C 54 178.531 178.531 177.597 0.934 25538 6962 1 15 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.655 -0.643 25538 6963 1 15 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.718 0.442 25538 6964 1 15 . 1 1 54 54 HIS H H 54 8.122 8.122 7.668 0.454 25538 6965 1 15 . 1 1 55 55 TYR N N 55 116.875 116.875 118.003 -1.128 25538 6966 1 15 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.129 -0.261 25538 6967 1 15 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.578 2.159 25538 6968 1 15 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.632 1.402 25538 6969 1 15 . 1 1 55 55 TYR H H 55 8.480 8.480 8.554 -0.074 25538 6970 1 15 . 1 1 56 56 LEU N N 56 120.976 120.976 120.719 0.257 25538 6971 1 15 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.998 -0.167 25538 6972 1 15 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.413 -0.049 25538 6973 1 15 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.445 0.947 25538 6974 1 15 . 1 1 56 56 LEU H H 56 8.452 8.452 8.351 0.101 25538 6975 1 15 . 1 1 57 57 GLY N N 57 105.050 105.050 106.854 -1.804 25538 6976 1 15 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.166 -0.020 25538 6977 1 15 . 1 1 57 57 GLY H H 57 7.710 7.710 8.496 -0.786 25538 6978 1 15 . 1 1 58 58 GLN N N 58 119.017 119.017 122.287 -3.270 25538 6979 1 15 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.833 -0.006 25538 6980 1 15 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.048 -0.370 25538 6981 1 15 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.572 0.303 25538 6982 1 15 . 1 1 58 58 GLN H H 58 7.649 7.649 8.006 -0.357 25538 6983 1 15 . 1 1 59 59 TYR N N 59 120.995 120.995 121.120 -0.125 25538 6984 1 15 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.178 -0.374 25538 6985 1 15 . 1 1 59 59 TYR C C 59 176.215 176.215 177.716 -1.501 25538 6986 1 15 . 1 1 59 59 TYR CA C 59 62.565 62.565 61.915 0.650 25538 6987 1 15 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.514 0.090 25538 6988 1 15 . 1 1 59 59 TYR H H 59 8.500 8.500 8.325 0.175 25538 6989 1 15 . 1 1 60 60 ILE N N 60 116.781 116.781 120.038 -3.257 25538 6990 1 15 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.583 -0.308 25538 6991 1 15 . 1 1 60 60 ILE C C 60 177.952 177.952 178.348 -0.396 25538 6992 1 15 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.650 0.020 25538 6993 1 15 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.990 0.568 25538 6994 1 15 . 1 1 60 60 ILE H H 60 7.612 7.612 8.678 -1.066 25538 6995 1 15 . 1 1 61 61 MET N N 61 115.626 115.626 117.950 -2.324 25538 6996 1 15 . 1 1 61 61 MET HA H 61 4.529 4.529 4.174 0.355 25538 6997 1 15 . 1 1 61 61 MET C C 61 180.579 180.579 178.813 1.766 25538 6998 1 15 . 1 1 61 61 MET CA C 61 57.662 57.662 57.560 0.102 25538 6999 1 15 . 1 1 61 61 MET CB C 61 31.449 31.449 31.621 -0.172 25538 7000 1 15 . 1 1 61 61 MET H H 61 7.717 7.717 8.020 -0.303 25538 7001 1 15 . 1 1 62 62 VAL N N 62 120.907 120.907 118.463 2.444 25538 7002 1 15 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.761 0.068 25538 7003 1 15 . 1 1 62 62 VAL C C 62 178.786 178.786 177.992 0.794 25538 7004 1 15 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.338 0.662 25538 7005 1 15 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.978 0.005 25538 7006 1 15 . 1 1 62 62 VAL H H 62 9.021 9.021 8.247 0.774 25538 7007 1 15 . 1 1 63 63 LYS N N 63 116.704 116.704 117.215 -0.511 25538 7008 1 15 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.225 -0.168 25538 7009 1 15 . 1 1 63 63 LYS C C 63 174.784 174.784 175.874 -1.090 25538 7010 1 15 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.381 0.702 25538 7011 1 15 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.344 -1.012 25538 7012 1 15 . 1 1 63 63 LYS H H 63 7.824 7.824 7.872 -0.048 25538 7013 1 15 . 1 1 64 64 GLN N N 64 115.371 115.371 114.719 0.652 25538 7014 1 15 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.217 -0.596 25538 7015 1 15 . 1 1 64 64 GLN C C 64 175.550 175.550 175.825 -0.275 25538 7016 1 15 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.194 0.785 25538 7017 1 15 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.869 0.379 25538 7018 1 15 . 1 1 64 64 GLN H H 64 7.653 7.653 8.164 -0.511 25538 7019 1 15 . 1 1 65 65 LEU N N 65 115.332 115.332 121.138 -5.806 25538 7020 1 15 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.611 -0.176 25538 7021 1 15 . 1 1 65 65 LEU C C 65 175.979 175.979 175.586 0.393 25538 7022 1 15 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.040 0.561 25538 7023 1 15 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.705 1.231 25538 7024 1 15 . 1 1 65 65 LEU H H 65 8.059 8.059 8.204 -0.145 25538 7025 1 15 . 1 1 66 66 TYR N N 66 113.240 113.240 115.527 -2.287 25538 7026 1 15 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.185 0.075 25538 7027 1 15 . 1 1 66 66 TYR C C 66 174.107 174.107 174.029 0.078 25538 7028 1 15 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.945 -0.271 25538 7029 1 15 . 1 1 66 66 TYR CB C 66 39.759 39.759 41.083 -1.324 25538 7030 1 15 . 1 1 66 66 TYR H H 66 6.845 6.845 7.269 -0.424 25538 7031 1 15 . 1 1 67 67 ASP N N 67 122.255 122.255 120.076 2.179 25538 7032 1 15 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.834 -0.399 25538 7033 1 15 . 1 1 67 67 ASP C C 67 176.779 176.779 177.279 -0.500 25538 7034 1 15 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.425 1.361 25538 7035 1 15 . 1 1 67 67 ASP CB C 67 43.359 43.359 44.101 -0.742 25538 7036 1 15 . 1 1 67 67 ASP H H 67 8.341 8.341 8.266 0.075 25538 7037 1 15 . 1 1 68 68 GLN N N 68 123.090 123.090 123.784 -0.694 25538 7038 1 15 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.157 -0.276 25538 7039 1 15 . 1 1 68 68 GLN C C 68 177.122 177.122 176.602 0.520 25538 7040 1 15 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.970 0.919 25538 7041 1 15 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.549 0.516 25538 7042 1 15 . 1 1 68 68 GLN H H 68 8.552 8.552 8.688 -0.136 25538 7043 1 15 . 1 1 69 69 GLN N N 69 115.295 115.295 118.966 -3.671 25538 7044 1 15 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.419 -0.080 25538 7045 1 15 . 1 1 69 69 GLN C C 69 176.272 176.272 177.010 -0.738 25538 7046 1 15 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.824 0.111 25538 7047 1 15 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.288 -0.371 25538 7048 1 15 . 1 1 69 69 GLN H H 69 8.347 8.347 8.479 -0.132 25538 7049 1 15 . 1 1 70 70 GLU N N 70 122.341 122.341 121.550 0.791 25538 7050 1 15 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.553 -0.062 25538 7051 1 15 . 1 1 70 70 GLU C C 70 175.832 175.832 176.470 -0.638 25538 7052 1 15 . 1 1 70 70 GLU CA C 70 55.086 55.086 54.948 0.138 25538 7053 1 15 . 1 1 70 70 GLU CB C 70 29.538 29.538 27.820 1.718 25538 7054 1 15 . 1 1 70 70 GLU H H 70 8.237 8.237 8.668 -0.431 25538 7055 1 15 . 1 1 71 71 GLN N N 71 119.185 119.185 118.781 0.404 25538 7056 1 15 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.349 0.152 25538 7057 1 15 . 1 1 71 71 GLN C C 71 173.848 173.848 176.221 -2.373 25538 7058 1 15 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.161 1.639 25538 7059 1 15 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.930 -0.748 25538 7060 1 15 . 1 1 71 71 GLN H H 71 8.206 8.206 7.728 0.478 25538 7061 1 15 . 1 1 72 72 HIS N N 72 109.549 109.549 111.975 -2.426 25538 7062 1 15 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.555 -0.375 25538 7063 1 15 . 1 1 72 72 HIS C C 72 175.790 175.790 174.368 1.422 25538 7064 1 15 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.144 1.137 25538 7065 1 15 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.775 1.300 25538 7066 1 15 . 1 1 72 72 HIS H H 72 7.383 7.383 8.102 -0.719 25538 7067 1 15 . 1 1 73 73 MET N N 73 119.174 119.174 120.749 -1.575 25538 7068 1 15 . 1 1 73 73 MET HA H 73 4.570 4.570 4.680 -0.110 25538 7069 1 15 . 1 1 73 73 MET C C 73 174.242 174.242 173.909 0.333 25538 7070 1 15 . 1 1 73 73 MET CA C 73 53.027 53.027 53.821 -0.794 25538 7071 1 15 . 1 1 73 73 MET CB C 73 31.709 31.709 34.301 -2.592 25538 7072 1 15 . 1 1 73 73 MET H H 73 7.655 7.655 7.449 0.206 25538 7073 1 15 . 1 1 74 74 VAL N N 74 122.522 122.522 126.336 -3.814 25538 7074 1 15 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.114 -0.191 25538 7075 1 15 . 1 1 74 74 VAL C C 74 174.851 174.851 174.587 0.264 25538 7076 1 15 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.710 -0.316 25538 7077 1 15 . 1 1 74 74 VAL CB C 74 32.787 32.787 31.964 0.823 25538 7078 1 15 . 1 1 74 74 VAL H H 74 8.443 8.443 8.635 -0.192 25538 7079 1 15 . 1 1 75 75 TYR N N 75 125.773 125.773 124.899 0.874 25538 7080 1 15 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.001 -0.249 25538 7081 1 15 . 1 1 75 75 TYR C C 75 174.923 174.923 176.254 -1.331 25538 7082 1 15 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.729 1.083 25538 7083 1 15 . 1 1 75 75 TYR CB C 75 38.633 38.633 39.291 -0.658 25538 7084 1 15 . 1 1 75 75 TYR H H 75 8.256 8.256 8.800 -0.544 25538 7085 1 15 . 1 1 76 76 CYS N N 76 116.702 116.702 120.422 -3.720 25538 7086 1 15 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.865 -0.118 25538 7087 1 15 . 1 1 76 76 CYS C C 76 174.231 174.231 176.779 -2.548 25538 7088 1 15 . 1 1 76 76 CYS CA C 76 56.103 56.103 56.494 -0.391 25538 7089 1 15 . 1 1 76 76 CYS CB C 76 29.589 29.589 26.475 3.114 25538 7090 1 15 . 1 1 76 76 CYS H H 76 8.266 8.266 8.347 -0.081 25538 7091 1 15 . 1 1 77 77 GLY N N 77 111.675 111.675 111.800 -0.125 25538 7092 1 15 . 1 1 77 77 GLY C C 77 174.662 174.662 174.838 -0.176 25538 7093 1 15 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.112 0.037 25538 7094 1 15 . 1 1 77 77 GLY H H 77 8.483 8.483 7.619 0.864 25538 7095 1 15 . 1 1 78 78 GLY N N 78 113.022 113.022 107.802 5.220 25538 7096 1 15 . 1 1 78 78 GLY C C 78 172.811 172.811 173.549 -0.738 25538 7097 1 15 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.165 1.587 25538 7098 1 15 . 1 1 78 78 GLY H H 78 8.892 8.892 8.056 0.836 25538 7099 1 15 . 1 1 79 79 ASP N N 79 119.457 119.457 121.158 -1.701 25538 7100 1 15 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.784 0.108 25538 7101 1 15 . 1 1 79 79 ASP C C 79 176.302 176.302 177.420 -1.118 25538 7102 1 15 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.181 -0.134 25538 7103 1 15 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.410 3.861 25538 7104 1 15 . 1 1 79 79 ASP H H 79 7.795 7.795 7.799 -0.004 25538 7105 1 15 . 1 1 80 80 LEU N N 80 128.421 128.421 125.870 2.551 25538 7106 1 15 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.143 -0.079 25538 7107 1 15 . 1 1 80 80 LEU C C 80 179.059 179.059 178.348 0.711 25538 7108 1 15 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.989 0.534 25538 7109 1 15 . 1 1 80 80 LEU CB C 80 42.647 42.647 41.983 0.664 25538 7110 1 15 . 1 1 80 80 LEU H H 80 8.549 8.549 8.758 -0.209 25538 7111 1 15 . 1 1 81 81 LEU N N 81 118.678 118.678 120.276 -1.598 25538 7112 1 15 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.071 -0.204 25538 7113 1 15 . 1 1 81 81 LEU C C 81 178.542 178.542 178.435 0.107 25538 7114 1 15 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.244 0.282 25538 7115 1 15 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.280 1.369 25538 7116 1 15 . 1 1 81 81 LEU H H 81 9.974 9.974 9.046 0.928 25538 7117 1 15 . 1 1 82 82 GLY N N 82 105.642 105.642 105.765 -0.123 25538 7118 1 15 . 1 1 82 82 GLY C C 82 176.907 176.907 176.517 0.390 25538 7119 1 15 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.174 0.819 25538 7120 1 15 . 1 1 82 82 GLY H H 82 7.543 7.543 7.706 -0.163 25538 7121 1 15 . 1 1 83 83 GLU N N 83 121.762 121.762 122.202 -0.440 25538 7122 1 15 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.073 -0.091 25538 7123 1 15 . 1 1 83 83 GLU C C 83 179.215 179.215 179.250 -0.035 25538 7124 1 15 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.324 -0.163 25538 7125 1 15 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.381 0.090 25538 7126 1 15 . 1 1 83 83 GLU H H 83 7.537 7.537 8.252 -0.715 25538 7127 1 15 . 1 1 84 84 LEU N N 84 118.478 118.478 119.943 -1.465 25538 7128 1 15 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.105 -0.081 25538 7129 1 15 . 1 1 84 84 LEU C C 84 178.842 178.842 179.278 -0.436 25538 7130 1 15 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.358 0.117 25538 7131 1 15 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.880 0.512 25538 7132 1 15 . 1 1 84 84 LEU H H 84 7.717 7.717 8.187 -0.469 25538 7133 1 15 . 1 1 85 85 LEU N N 85 115.268 115.268 113.915 1.353 25538 7134 1 15 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.188 -0.411 25538 7135 1 15 . 1 1 85 85 LEU C C 85 177.773 177.773 177.825 -0.052 25538 7136 1 15 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.250 0.125 25538 7137 1 15 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.208 1.685 25538 7138 1 15 . 1 1 85 85 LEU H H 85 8.091 8.091 8.091 0.000 25538 7139 1 15 . 1 1 86 86 GLY N N 86 107.339 107.339 106.831 0.508 25538 7140 1 15 . 1 1 86 86 GLY C C 86 174.143 174.143 174.360 -0.217 25538 7141 1 15 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.114 1.201 25538 7142 1 15 . 1 1 86 86 GLY H H 86 7.993 7.993 8.035 -0.042 25538 7143 1 15 . 1 1 87 87 ARG N N 87 113.292 113.292 120.099 -6.807 25538 7144 1 15 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.615 0.039 25538 7145 1 15 . 1 1 87 87 ARG C C 87 174.720 174.720 175.393 -0.673 25538 7146 1 15 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.961 -0.801 25538 7147 1 15 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.445 2.011 25538 7148 1 15 . 1 1 87 87 ARG H H 87 7.407 7.407 7.520 -0.113 25538 7149 1 15 . 1 1 88 88 GLN N N 88 116.042 116.042 121.816 -5.774 25538 7150 1 15 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.427 -0.381 25538 7151 1 15 . 1 1 88 88 GLN C C 88 175.946 175.946 175.037 0.909 25538 7152 1 15 . 1 1 88 88 GLN CA C 88 57.175 57.175 56.956 0.219 25538 7153 1 15 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.373 0.417 25538 7154 1 15 . 1 1 88 88 GLN H H 88 8.660 8.660 8.685 -0.025 25538 7155 1 15 . 1 1 89 89 SER N N 89 110.533 110.533 110.958 -0.425 25538 7156 1 15 . 1 1 89 89 SER HA H 89 5.431 5.431 4.886 0.545 25538 7157 1 15 . 1 1 89 89 SER C C 89 173.062 173.062 173.027 0.035 25538 7158 1 15 . 1 1 89 89 SER CA C 89 57.019 57.019 56.568 0.451 25538 7159 1 15 . 1 1 89 89 SER CB C 89 66.577 66.577 65.690 0.887 25538 7160 1 15 . 1 1 89 89 SER H H 89 7.620 7.620 7.485 0.135 25538 7161 1 15 . 1 1 90 90 PHE N N 90 115.219 115.219 117.433 -2.214 25538 7162 1 15 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.897 -0.202 25538 7163 1 15 . 1 1 90 90 PHE C C 90 175.233 175.233 172.512 2.721 25538 7164 1 15 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.617 0.478 25538 7165 1 15 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.367 -0.021 25538 7166 1 15 . 1 1 90 90 PHE H H 90 8.557 8.557 7.571 0.986 25538 7167 1 15 . 1 1 91 91 SER N N 91 113.681 113.681 114.925 -1.244 25538 7168 1 15 . 1 1 91 91 SER HA H 91 5.391 5.391 5.245 0.146 25538 7169 1 15 . 1 1 91 91 SER CA C 91 54.564 54.564 54.458 0.106 25538 7170 1 15 . 1 1 91 91 SER CB C 91 65.366 65.366 65.511 -0.145 25538 7171 1 15 . 1 1 91 91 SER H H 91 9.006 9.006 8.254 0.752 25538 7172 1 15 . 1 1 92 92 VAL N N 92 121.388 121.388 120.479 0.909 25538 7173 1 15 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.967 -0.024 25538 7174 1 15 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.198 -1.003 25538 7175 1 15 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.922 -0.691 25538 7176 1 15 . 1 1 92 92 VAL H H 92 8.983 8.983 8.793 0.190 25538 7177 1 15 . 1 1 93 93 LYS N N 93 116.161 116.161 117.684 -1.523 25538 7178 1 15 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.414 -0.431 25538 7179 1 15 . 1 1 93 93 LYS C C 93 177.088 177.088 176.377 0.711 25538 7180 1 15 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.408 0.773 25538 7181 1 15 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.854 -0.730 25538 7182 1 15 . 1 1 93 93 LYS H H 93 8.078 8.078 7.873 0.205 25538 7183 1 15 . 1 1 94 94 ASP N N 94 115.406 115.406 120.378 -4.972 25538 7184 1 15 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.109 -0.160 25538 7185 1 15 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.726 -0.169 25538 7186 1 15 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.213 -0.768 25538 7187 1 15 . 1 1 94 94 ASP H H 94 7.385 7.385 7.896 -0.511 25538 7188 1 15 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.788 -0.351 25538 7189 1 15 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.501 0.388 25538 7190 1 15 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.269 0.491 25538 7191 1 15 . 1 1 96 96 SER N N 96 118.819 118.819 117.605 1.214 25538 7192 1 15 . 1 1 96 96 SER HA H 96 4.220 4.220 4.283 -0.063 25538 7193 1 15 . 1 1 96 96 SER CA C 96 64.406 64.406 64.133 0.272 25538 7194 1 15 . 1 1 96 96 SER CB C 96 61.862 61.862 61.195 0.667 25538 7195 1 15 . 1 1 96 96 SER H H 96 8.104 8.104 8.754 -0.650 25538 7196 1 15 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.353 -0.004 25538 7197 1 15 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.236 0.675 25538 7198 1 15 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.376 0.119 25538 7199 1 15 . 1 1 98 98 LEU N N 98 118.063 118.063 120.810 -2.747 25538 7200 1 15 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.769 -0.166 25538 7201 1 15 . 1 1 98 98 LEU CA C 98 57.101 57.101 58.009 -0.908 25538 7202 1 15 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.687 -0.291 25538 7203 1 15 . 1 1 98 98 LEU H H 98 7.087 7.087 7.414 -0.327 25538 7204 1 15 . 1 1 99 99 TYR N N 99 118.063 118.063 118.426 -0.363 25538 7205 1 15 . 1 1 99 99 TYR HA H 99 4.144 4.144 3.993 0.151 25538 7206 1 15 . 1 1 99 99 TYR C C 99 178.914 178.914 177.914 1.000 25538 7207 1 15 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.758 -1.490 25538 7208 1 15 . 1 1 99 99 TYR CB C 99 36.968 36.968 38.066 -1.097 25538 7209 1 15 . 1 1 99 99 TYR H H 99 7.594 7.594 8.301 -0.707 25538 7210 1 15 . 1 1 100 100 ASP N N 100 119.682 119.682 119.995 -0.313 25538 7211 1 15 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.314 0.012 25538 7212 1 15 . 1 1 100 100 ASP C C 100 177.737 177.737 178.287 -0.550 25538 7213 1 15 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.375 0.500 25538 7214 1 15 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.896 0.192 25538 7215 1 15 . 1 1 100 100 ASP H H 100 8.315 8.315 8.195 0.120 25538 7216 1 15 . 1 1 101 101 MET N N 101 118.784 118.784 117.860 0.924 25538 7217 1 15 . 1 1 101 101 MET HA H 101 3.969 3.969 4.078 -0.109 25538 7218 1 15 . 1 1 101 101 MET C C 101 180.080 180.080 177.985 2.095 25538 7219 1 15 . 1 1 101 101 MET CA C 101 59.420 59.420 58.883 0.537 25538 7220 1 15 . 1 1 101 101 MET CB C 101 31.642 31.642 32.414 -0.772 25538 7221 1 15 . 1 1 101 101 MET H H 101 7.245 7.245 7.861 -0.616 25538 7222 1 15 . 1 1 102 102 LEU N N 102 121.572 121.572 120.273 1.299 25538 7223 1 15 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.847 -0.146 25538 7224 1 15 . 1 1 102 102 LEU C C 102 178.566 178.566 179.379 -0.813 25538 7225 1 15 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.473 1.270 25538 7226 1 15 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.314 0.132 25538 7227 1 15 . 1 1 102 102 LEU H H 102 8.471 8.471 8.191 0.280 25538 7228 1 15 . 1 1 103 103 ARG N N 103 117.180 117.180 116.201 0.979 25538 7229 1 15 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.077 -0.107 25538 7230 1 15 . 1 1 103 103 ARG C C 103 178.818 178.818 177.751 1.067 25538 7231 1 15 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.972 0.531 25538 7232 1 15 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.156 0.060 25538 7233 1 15 . 1 1 103 103 ARG H H 103 7.933 7.933 8.102 -0.169 25538 7234 1 15 . 1 1 104 104 LYS N N 104 114.206 114.206 115.519 -1.313 25538 7235 1 15 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.408 -0.192 25538 7236 1 15 . 1 1 104 104 LYS C C 104 177.556 177.556 176.267 1.289 25538 7237 1 15 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.515 1.238 25538 7238 1 15 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.956 1.144 25538 7239 1 15 . 1 1 104 104 LYS H H 104 7.171 7.171 7.521 -0.350 25538 7240 1 15 . 1 1 105 105 ASN N N 105 114.097 114.097 117.775 -3.678 25538 7241 1 15 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.716 0.015 25538 7242 1 15 . 1 1 105 105 ASN C C 105 172.822 172.822 175.858 -3.036 25538 7243 1 15 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.259 0.584 25538 7244 1 15 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.957 1.384 25538 7245 1 15 . 1 1 105 105 ASN H H 105 7.661 7.661 7.822 -0.161 25538 7246 1 15 . 1 1 106 106 LEU N N 106 118.656 118.656 120.507 -1.851 25538 7247 1 15 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.442 0.229 25538 7248 1 15 . 1 1 106 106 LEU C C 106 175.658 175.658 178.809 -3.151 25538 7249 1 15 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.239 -1.081 25538 7250 1 15 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.600 1.010 25538 7251 1 15 . 1 1 106 106 LEU H H 106 7.440 7.440 8.238 -0.798 25538 7252 1 15 . 1 1 107 107 VAL N N 107 122.765 122.765 118.279 4.486 25538 7253 1 15 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.151 0.063 25538 7254 1 15 . 1 1 107 107 VAL C C 107 176.054 176.054 175.211 0.843 25538 7255 1 15 . 1 1 107 107 VAL CA C 107 62.143 62.143 61.637 0.506 25538 7256 1 15 . 1 1 107 107 VAL CB C 107 33.556 33.556 28.794 4.762 25538 7257 1 15 . 1 1 107 107 VAL H H 107 8.158 8.158 8.099 0.059 25538 7258 1 15 . 1 1 108 108 THR N N 108 120.921 120.921 114.921 6.000 25538 7259 1 15 . 1 1 108 108 THR HA H 108 4.332 4.332 3.920 0.412 25538 7260 1 15 . 1 1 108 108 THR C C 108 174.216 174.216 173.801 0.415 25538 7261 1 15 . 1 1 108 108 THR CA C 108 62.726 62.726 63.491 -0.765 25538 7262 1 15 . 1 1 108 108 THR CB C 108 69.777 69.777 67.592 2.185 25538 7263 1 15 . 1 1 108 108 THR H H 108 8.524 8.524 7.949 0.575 25538 7264 1 15 . 1 1 109 109 LEU N N 109 125.518 125.518 122.100 3.418 25538 7265 1 15 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.314 0.041 25538 7266 1 15 . 1 1 109 109 LEU C C 109 176.523 176.523 175.785 0.738 25538 7267 1 15 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.764 0.283 25538 7268 1 15 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.156 0.434 25538 7269 1 15 . 1 1 109 109 LEU H H 109 8.312 8.312 8.068 0.244 25538 7270 1 15 . 1 1 110 110 ALA N N 110 125.099 125.099 125.875 -0.776 25538 7271 1 15 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.738 -0.372 25538 7272 1 15 . 1 1 110 110 ALA C C 110 176.847 176.847 175.709 1.138 25538 7273 1 15 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.478 1.150 25538 7274 1 15 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.893 -1.187 25538 7275 1 15 . 1 1 110 110 ALA H H 110 8.257 8.257 8.094 0.163 25538 7276 1 16 . 1 1 24 24 ILE N N 24 120.669 120.669 121.706 -1.037 25538 7277 1 16 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.986 0.161 25538 7278 1 16 . 1 1 24 24 ILE C C 24 175.650 175.650 176.431 -0.781 25538 7279 1 16 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.046 -0.704 25538 7280 1 16 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.711 1.266 25538 7281 1 16 . 1 1 24 24 ILE H H 24 8.122 8.122 8.475 -0.353 25538 7282 1 16 . 1 1 25 25 ASN N N 25 121.886 121.886 123.616 -1.730 25538 7283 1 16 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.584 0.118 25538 7284 1 16 . 1 1 25 25 ASN C C 25 174.775 174.775 174.682 0.093 25538 7285 1 16 . 1 1 25 25 ASN CA C 25 53.730 53.730 54.183 -0.453 25538 7286 1 16 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.323 -0.022 25538 7287 1 16 . 1 1 25 25 ASN H H 25 8.436 8.436 8.851 -0.415 25538 7288 1 16 . 1 1 26 26 GLN N N 26 118.706 118.706 117.409 1.297 25538 7289 1 16 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.539 0.043 25538 7290 1 16 . 1 1 26 26 GLN C C 26 175.291 175.291 173.773 1.518 25538 7291 1 16 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.241 0.399 25538 7292 1 16 . 1 1 26 26 GLN CB C 26 32.218 32.218 30.084 2.134 25538 7293 1 16 . 1 1 26 26 GLN H H 26 8.208 8.208 8.019 0.189 25538 7294 1 16 . 1 1 27 27 VAL N N 27 113.658 113.658 121.130 -7.472 25538 7295 1 16 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.431 0.445 25538 7296 1 16 . 1 1 27 27 VAL C C 27 173.900 173.900 174.034 -0.134 25538 7297 1 16 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.867 -2.751 25538 7298 1 16 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.677 1.337 25538 7299 1 16 . 1 1 27 27 VAL H H 27 9.401 9.401 8.399 1.002 25538 7300 1 16 . 1 1 28 28 ARG N N 28 121.535 121.535 126.055 -4.520 25538 7301 1 16 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.817 0.640 25538 7302 1 16 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.921 -1.350 25538 7303 1 16 . 1 1 28 28 ARG CB C 28 33.652 33.652 33.245 0.407 25538 7304 1 16 . 1 1 28 28 ARG H H 28 8.904 8.904 8.621 0.283 25538 7305 1 16 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.925 0.084 25538 7306 1 16 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.962 -0.022 25538 7307 1 16 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.864 -1.610 25538 7308 1 16 . 1 1 30 30 LYS N N 30 121.258 121.258 119.171 2.087 25538 7309 1 16 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.449 -0.248 25538 7310 1 16 . 1 1 30 30 LYS C C 30 177.557 177.557 176.622 0.935 25538 7311 1 16 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.270 2.115 25538 7312 1 16 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.832 -0.982 25538 7313 1 16 . 1 1 30 30 LYS H H 30 8.477 8.477 8.103 0.374 25538 7314 1 16 . 1 1 31 31 LEU N N 31 121.577 121.577 126.261 -4.684 25538 7315 1 16 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.213 -0.151 25538 7316 1 16 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.296 0.900 25538 7317 1 16 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.293 0.482 25538 7318 1 16 . 1 1 31 31 LEU H H 31 8.599 8.599 8.935 -0.336 25538 7319 1 16 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.197 -0.060 25538 7320 1 16 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.620 0.865 25538 7321 1 16 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.161 0.425 25538 7322 1 16 . 1 1 33 33 LEU N N 33 113.299 113.299 118.890 -5.591 25538 7323 1 16 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.246 -0.271 25538 7324 1 16 . 1 1 33 33 LEU C C 33 177.726 177.726 178.312 -0.586 25538 7325 1 16 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.061 0.079 25538 7326 1 16 . 1 1 33 33 LEU CB C 33 41.830 41.830 41.564 0.266 25538 7327 1 16 . 1 1 33 33 LEU H H 33 6.610 6.610 7.792 -1.182 25538 7328 1 16 . 1 1 34 34 LEU N N 34 121.730 121.730 122.171 -0.441 25538 7329 1 16 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.842 -0.446 25538 7330 1 16 . 1 1 34 34 LEU C C 34 177.467 177.467 178.429 -0.962 25538 7331 1 16 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.678 -0.417 25538 7332 1 16 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.712 0.124 25538 7333 1 16 . 1 1 34 34 LEU H H 34 8.411 8.411 8.776 -0.365 25538 7334 1 16 . 1 1 35 35 LYS N N 35 114.927 114.927 118.152 -3.225 25538 7335 1 16 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.918 -0.114 25538 7336 1 16 . 1 1 35 35 LYS C C 35 180.207 180.207 178.922 1.285 25538 7337 1 16 . 1 1 35 35 LYS CA C 35 60.140 60.140 59.140 1.000 25538 7338 1 16 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.709 0.860 25538 7339 1 16 . 1 1 35 35 LYS H H 35 7.964 7.964 7.960 0.004 25538 7340 1 16 . 1 1 36 36 ILE N N 36 119.935 119.935 119.619 0.316 25538 7341 1 16 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.627 -0.324 25538 7342 1 16 . 1 1 36 36 ILE C C 36 176.418 176.418 178.229 -1.811 25538 7343 1 16 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.976 1.508 25538 7344 1 16 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.422 1.207 25538 7345 1 16 . 1 1 36 36 ILE H H 36 6.739 6.739 7.091 -0.352 25538 7346 1 16 . 1 1 37 37 LEU N N 37 116.682 116.682 120.794 -4.112 25538 7347 1 16 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.426 0.102 25538 7348 1 16 . 1 1 37 37 LEU C C 37 180.263 180.263 179.045 1.218 25538 7349 1 16 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.364 -0.139 25538 7350 1 16 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.790 -1.648 25538 7351 1 16 . 1 1 37 37 LEU H H 37 7.633 7.633 8.036 -0.403 25538 7352 1 16 . 1 1 38 38 HIS N N 38 117.463 117.463 117.779 -0.316 25538 7353 1 16 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.124 0.558 25538 7354 1 16 . 1 1 38 38 HIS C C 38 179.936 179.936 177.836 2.100 25538 7355 1 16 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.182 -1.891 25538 7356 1 16 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.945 0.787 25538 7357 1 16 . 1 1 38 38 HIS H H 38 8.932 8.932 8.685 0.247 25538 7358 1 16 . 1 1 39 39 ALA N N 39 124.102 124.102 121.715 2.387 25538 7359 1 16 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.146 0.105 25538 7360 1 16 . 1 1 39 39 ALA C C 39 178.764 178.764 178.556 0.208 25538 7361 1 16 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.142 0.980 25538 7362 1 16 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.637 -0.526 25538 7363 1 16 . 1 1 39 39 ALA H H 39 7.951 7.951 8.084 -0.133 25538 7364 1 16 . 1 1 40 40 ALA N N 40 118.164 118.164 118.808 -0.644 25538 7365 1 16 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.333 0.088 25538 7366 1 16 . 1 1 40 40 ALA C C 40 176.261 176.261 177.579 -1.318 25538 7367 1 16 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.741 -0.605 25538 7368 1 16 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.319 1.793 25538 7369 1 16 . 1 1 40 40 ALA H H 40 7.647 7.647 8.052 -0.405 25538 7370 1 16 . 1 1 41 41 GLY N N 41 103.894 103.894 104.096 -0.202 25538 7371 1 16 . 1 1 41 41 GLY C C 41 174.412 174.412 174.258 0.154 25538 7372 1 16 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.732 0.122 25538 7373 1 16 . 1 1 41 41 GLY H H 41 7.677 7.677 7.727 -0.050 25538 7374 1 16 . 1 1 42 42 ALA N N 42 123.549 123.549 122.872 0.677 25538 7375 1 16 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.242 -0.612 25538 7376 1 16 . 1 1 42 42 ALA C C 42 175.956 175.956 175.613 0.343 25538 7377 1 16 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.647 1.033 25538 7378 1 16 . 1 1 42 42 ALA CB C 42 19.233 19.233 19.747 -0.514 25538 7379 1 16 . 1 1 42 42 ALA H H 42 7.559 7.559 7.582 -0.023 25538 7380 1 16 . 1 1 43 43 GLN N N 43 117.516 117.516 117.550 -0.034 25538 7381 1 16 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.813 0.565 25538 7382 1 16 . 1 1 43 43 GLN C C 43 175.528 175.528 175.323 0.205 25538 7383 1 16 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.230 -0.612 25538 7384 1 16 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.532 1.664 25538 7385 1 16 . 1 1 43 43 GLN H H 43 8.531 8.531 8.417 0.114 25538 7386 1 16 . 1 1 44 44 GLY N N 44 108.084 108.084 112.364 -4.280 25538 7387 1 16 . 1 1 44 44 GLY C C 44 174.073 174.073 174.237 -0.164 25538 7388 1 16 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.108 -0.485 25538 7389 1 16 . 1 1 44 44 GLY H H 44 8.535 8.535 8.373 0.162 25538 7390 1 16 . 1 1 45 45 GLU N N 45 114.485 114.485 118.031 -3.546 25538 7391 1 16 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.250 0.360 25538 7392 1 16 . 1 1 45 45 GLU C C 45 174.007 174.007 174.759 -0.752 25538 7393 1 16 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.968 0.882 25538 7394 1 16 . 1 1 45 45 GLU CB C 45 33.035 33.035 30.241 2.794 25538 7395 1 16 . 1 1 45 45 GLU H H 45 8.293 8.293 8.552 -0.259 25538 7396 1 16 . 1 1 46 46 MET N N 46 115.370 115.370 120.011 -4.641 25538 7397 1 16 . 1 1 46 46 MET HA H 46 5.047 5.047 4.297 0.750 25538 7398 1 16 . 1 1 46 46 MET C C 46 174.637 174.637 174.066 0.571 25538 7399 1 16 . 1 1 46 46 MET CA C 46 54.239 54.239 54.656 -0.417 25538 7400 1 16 . 1 1 46 46 MET CB C 46 35.727 35.727 34.116 1.611 25538 7401 1 16 . 1 1 46 46 MET H H 46 6.871 6.871 7.058 -0.187 25538 7402 1 16 . 1 1 47 47 PHE N N 47 118.922 118.922 120.957 -2.035 25538 7403 1 16 . 1 1 47 47 PHE HA H 47 5.104 5.104 5.042 0.062 25538 7404 1 16 . 1 1 47 47 PHE C C 47 175.742 175.742 175.488 0.254 25538 7405 1 16 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.217 2.148 25538 7406 1 16 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.744 6.138 25538 7407 1 16 . 1 1 47 47 PHE H H 47 8.611 8.611 8.204 0.407 25538 7408 1 16 . 1 1 48 48 THR N N 48 110.603 110.603 112.810 -2.207 25538 7409 1 16 . 1 1 48 48 THR HA H 48 4.982 4.982 4.478 0.504 25538 7410 1 16 . 1 1 48 48 THR C C 48 176.666 176.666 176.473 0.193 25538 7411 1 16 . 1 1 48 48 THR CA C 48 61.021 61.021 60.680 0.341 25538 7412 1 16 . 1 1 48 48 THR CB C 48 71.136 71.136 70.568 0.568 25538 7413 1 16 . 1 1 48 48 THR H H 48 9.113 9.113 9.320 -0.207 25538 7414 1 16 . 1 1 49 49 VAL N N 49 121.595 121.595 120.486 1.109 25538 7415 1 16 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.591 -0.198 25538 7416 1 16 . 1 1 49 49 VAL C C 49 177.726 177.726 178.247 -0.521 25538 7417 1 16 . 1 1 49 49 VAL CA C 49 68.209 68.209 67.570 0.639 25538 7418 1 16 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.101 0.260 25538 7419 1 16 . 1 1 49 49 VAL H H 49 9.074 9.074 8.917 0.157 25538 7420 1 16 . 1 1 50 50 LYS N N 50 118.504 118.504 118.346 0.158 25538 7421 1 16 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.984 -0.025 25538 7422 1 16 . 1 1 50 50 LYS C C 50 180.060 180.060 179.232 0.828 25538 7423 1 16 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.790 0.130 25538 7424 1 16 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.909 0.898 25538 7425 1 16 . 1 1 50 50 LYS H H 50 8.131 8.131 8.672 -0.541 25538 7426 1 16 . 1 1 51 51 GLU N N 51 119.547 119.547 119.695 -0.148 25538 7427 1 16 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.034 0.004 25538 7428 1 16 . 1 1 51 51 GLU C C 51 178.583 178.583 178.791 -0.208 25538 7429 1 16 . 1 1 51 51 GLU CA C 51 59.856 59.856 59.328 0.528 25538 7430 1 16 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.880 1.522 25538 7431 1 16 . 1 1 51 51 GLU H H 51 7.882 7.882 7.694 0.188 25538 7432 1 16 . 1 1 52 52 VAL N N 52 119.078 119.078 121.059 -1.981 25538 7433 1 16 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.722 -0.468 25538 7434 1 16 . 1 1 52 52 VAL C C 52 177.546 177.546 178.432 -0.886 25538 7435 1 16 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.999 0.862 25538 7436 1 16 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.426 -0.195 25538 7437 1 16 . 1 1 52 52 VAL H H 52 8.258 8.258 8.851 -0.593 25538 7438 1 16 . 1 1 53 53 MET N N 53 114.606 114.606 116.697 -2.091 25538 7439 1 16 . 1 1 53 53 MET HA H 53 4.231 4.231 4.204 0.027 25538 7440 1 16 . 1 1 53 53 MET C C 53 178.640 178.640 178.491 0.149 25538 7441 1 16 . 1 1 53 53 MET CA C 53 57.902 57.902 57.151 0.751 25538 7442 1 16 . 1 1 53 53 MET CB C 53 32.640 32.640 30.615 2.025 25538 7443 1 16 . 1 1 53 53 MET H H 53 8.201 8.201 8.417 -0.216 25538 7444 1 16 . 1 1 54 54 HIS N N 54 118.707 118.707 121.358 -2.651 25538 7445 1 16 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.094 0.052 25538 7446 1 16 . 1 1 54 54 HIS C C 54 178.531 178.531 177.355 1.176 25538 7447 1 16 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.909 -0.897 25538 7448 1 16 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.663 0.497 25538 7449 1 16 . 1 1 54 54 HIS H H 54 8.122 8.122 7.715 0.407 25538 7450 1 16 . 1 1 55 55 TYR N N 55 116.875 116.875 118.153 -1.278 25538 7451 1 16 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.075 -0.207 25538 7452 1 16 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.401 2.336 25538 7453 1 16 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.608 1.426 25538 7454 1 16 . 1 1 55 55 TYR H H 55 8.480 8.480 8.451 0.029 25538 7455 1 16 . 1 1 56 56 LEU N N 56 120.976 120.976 120.007 0.969 25538 7456 1 16 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.855 -0.024 25538 7457 1 16 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.975 0.388 25538 7458 1 16 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.532 0.860 25538 7459 1 16 . 1 1 56 56 LEU H H 56 8.452 8.452 8.298 0.154 25538 7460 1 16 . 1 1 57 57 GLY N N 57 105.050 105.050 106.459 -1.409 25538 7461 1 16 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.239 -0.093 25538 7462 1 16 . 1 1 57 57 GLY H H 57 7.710 7.710 8.492 -0.782 25538 7463 1 16 . 1 1 58 58 GLN N N 58 119.017 119.017 121.815 -2.798 25538 7464 1 16 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.936 -0.109 25538 7465 1 16 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.332 0.346 25538 7466 1 16 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.101 0.774 25538 7467 1 16 . 1 1 58 58 GLN H H 58 7.649 7.649 8.290 -0.641 25538 7468 1 16 . 1 1 59 59 TYR N N 59 120.995 120.995 122.420 -1.425 25538 7469 1 16 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.180 -0.376 25538 7470 1 16 . 1 1 59 59 TYR C C 59 176.215 176.215 177.363 -1.148 25538 7471 1 16 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.116 0.449 25538 7472 1 16 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.652 -0.049 25538 7473 1 16 . 1 1 59 59 TYR H H 59 8.500 8.500 8.213 0.287 25538 7474 1 16 . 1 1 60 60 ILE N N 60 116.781 116.781 120.178 -3.397 25538 7475 1 16 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.612 -0.337 25538 7476 1 16 . 1 1 60 60 ILE C C 60 177.952 177.952 178.275 -0.323 25538 7477 1 16 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.897 -0.227 25538 7478 1 16 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.853 0.705 25538 7479 1 16 . 1 1 60 60 ILE H H 60 7.612 7.612 8.414 -0.802 25538 7480 1 16 . 1 1 61 61 MET N N 61 115.626 115.626 118.319 -2.693 25538 7481 1 16 . 1 1 61 61 MET HA H 61 4.529 4.529 4.167 0.362 25538 7482 1 16 . 1 1 61 61 MET C C 61 180.579 180.579 178.524 2.055 25538 7483 1 16 . 1 1 61 61 MET CA C 61 57.662 57.662 58.467 -0.805 25538 7484 1 16 . 1 1 61 61 MET CB C 61 31.449 31.449 32.029 -0.580 25538 7485 1 16 . 1 1 61 61 MET H H 61 7.717 7.717 8.013 -0.296 25538 7486 1 16 . 1 1 62 62 VAL N N 62 120.907 120.907 119.107 1.800 25538 7487 1 16 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.762 0.067 25538 7488 1 16 . 1 1 62 62 VAL C C 62 178.786 178.786 177.930 0.856 25538 7489 1 16 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.673 0.328 25538 7490 1 16 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.854 0.129 25538 7491 1 16 . 1 1 62 62 VAL H H 62 9.021 9.021 8.134 0.887 25538 7492 1 16 . 1 1 63 63 LYS N N 63 116.704 116.704 118.602 -1.898 25538 7493 1 16 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.163 -0.106 25538 7494 1 16 . 1 1 63 63 LYS C C 63 174.784 174.784 176.007 -1.223 25538 7495 1 16 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.731 0.352 25538 7496 1 16 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.348 -1.016 25538 7497 1 16 . 1 1 63 63 LYS H H 63 7.824 7.824 8.010 -0.186 25538 7498 1 16 . 1 1 64 64 GLN N N 64 115.371 115.371 113.630 1.741 25538 7499 1 16 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.176 -0.555 25538 7500 1 16 . 1 1 64 64 GLN C C 64 175.550 175.550 175.595 -0.045 25538 7501 1 16 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.333 0.646 25538 7502 1 16 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.974 0.274 25538 7503 1 16 . 1 1 64 64 GLN H H 64 7.653 7.653 8.138 -0.485 25538 7504 1 16 . 1 1 65 65 LEU N N 65 115.332 115.332 120.995 -5.663 25538 7505 1 16 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.641 -0.206 25538 7506 1 16 . 1 1 65 65 LEU C C 65 175.979 175.979 175.561 0.418 25538 7507 1 16 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.894 0.707 25538 7508 1 16 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.622 1.314 25538 7509 1 16 . 1 1 65 65 LEU H H 65 8.059 8.059 8.263 -0.204 25538 7510 1 16 . 1 1 66 66 TYR N N 66 113.240 113.240 114.872 -1.632 25538 7511 1 16 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.085 0.175 25538 7512 1 16 . 1 1 66 66 TYR C C 66 174.107 174.107 173.776 0.331 25538 7513 1 16 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.190 -0.516 25538 7514 1 16 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.830 -1.071 25538 7515 1 16 . 1 1 66 66 TYR H H 66 6.845 6.845 7.274 -0.429 25538 7516 1 16 . 1 1 67 67 ASP N N 67 122.255 122.255 121.098 1.157 25538 7517 1 16 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.873 -0.438 25538 7518 1 16 . 1 1 67 67 ASP C C 67 176.779 176.779 176.910 -0.131 25538 7519 1 16 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.033 0.752 25538 7520 1 16 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.941 -0.582 25538 7521 1 16 . 1 1 67 67 ASP H H 67 8.341 8.341 8.336 0.005 25538 7522 1 16 . 1 1 68 68 GLN N N 68 123.090 123.090 123.625 -0.535 25538 7523 1 16 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.150 -0.269 25538 7524 1 16 . 1 1 68 68 GLN C C 68 177.122 177.122 176.670 0.452 25538 7525 1 16 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.071 0.818 25538 7526 1 16 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.640 0.425 25538 7527 1 16 . 1 1 68 68 GLN H H 68 8.552 8.552 8.682 -0.130 25538 7528 1 16 . 1 1 69 69 GLN N N 69 115.295 115.295 119.291 -3.996 25538 7529 1 16 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.400 -0.061 25538 7530 1 16 . 1 1 69 69 GLN C C 69 176.272 176.272 176.722 -0.450 25538 7531 1 16 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.456 0.479 25538 7532 1 16 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.462 -0.546 25538 7533 1 16 . 1 1 69 69 GLN H H 69 8.347 8.347 8.501 -0.154 25538 7534 1 16 . 1 1 70 70 GLU N N 70 122.341 122.341 122.189 0.152 25538 7535 1 16 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.414 0.077 25538 7536 1 16 . 1 1 70 70 GLU C C 70 175.832 175.832 176.504 -0.672 25538 7537 1 16 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.277 -0.191 25538 7538 1 16 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.664 0.874 25538 7539 1 16 . 1 1 70 70 GLU H H 70 8.237 8.237 8.743 -0.506 25538 7540 1 16 . 1 1 71 71 GLN N N 71 119.185 119.185 118.854 0.331 25538 7541 1 16 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.392 0.109 25538 7542 1 16 . 1 1 71 71 GLN C C 71 173.848 173.848 176.272 -2.424 25538 7543 1 16 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.828 1.972 25538 7544 1 16 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.869 -0.687 25538 7545 1 16 . 1 1 71 71 GLN H H 71 8.206 8.206 7.646 0.560 25538 7546 1 16 . 1 1 72 72 HIS N N 72 109.549 109.549 111.648 -2.099 25538 7547 1 16 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.501 -0.321 25538 7548 1 16 . 1 1 72 72 HIS C C 72 175.790 175.790 174.253 1.537 25538 7549 1 16 . 1 1 72 72 HIS CA C 72 56.281 56.281 54.107 2.174 25538 7550 1 16 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.235 1.840 25538 7551 1 16 . 1 1 72 72 HIS H H 72 7.383 7.383 7.947 -0.564 25538 7552 1 16 . 1 1 73 73 MET N N 73 119.174 119.174 120.763 -1.589 25538 7553 1 16 . 1 1 73 73 MET HA H 73 4.570 4.570 4.798 -0.228 25538 7554 1 16 . 1 1 73 73 MET C C 73 174.242 174.242 174.234 0.008 25538 7555 1 16 . 1 1 73 73 MET CA C 73 53.027 53.027 54.126 -1.099 25538 7556 1 16 . 1 1 73 73 MET CB C 73 31.709 31.709 35.140 -3.431 25538 7557 1 16 . 1 1 73 73 MET H H 73 7.655 7.655 8.011 -0.356 25538 7558 1 16 . 1 1 74 74 VAL N N 74 122.522 122.522 124.948 -2.426 25538 7559 1 16 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.307 -0.384 25538 7560 1 16 . 1 1 74 74 VAL C C 74 174.851 174.851 174.313 0.538 25538 7561 1 16 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.583 0.811 25538 7562 1 16 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.633 0.154 25538 7563 1 16 . 1 1 74 74 VAL H H 74 8.443 8.443 8.742 -0.299 25538 7564 1 16 . 1 1 75 75 TYR N N 75 125.773 125.773 124.660 1.113 25538 7565 1 16 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.060 -0.308 25538 7566 1 16 . 1 1 75 75 TYR C C 75 174.923 174.923 176.503 -1.580 25538 7567 1 16 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.841 0.971 25538 7568 1 16 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.169 0.464 25538 7569 1 16 . 1 1 75 75 TYR H H 75 8.256 8.256 8.995 -0.739 25538 7570 1 16 . 1 1 76 76 CYS N N 76 116.702 116.702 123.882 -7.180 25538 7571 1 16 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.525 0.222 25538 7572 1 16 . 1 1 76 76 CYS C C 76 174.231 174.231 176.553 -2.322 25538 7573 1 16 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.693 -2.590 25538 7574 1 16 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.276 4.313 25538 7575 1 16 . 1 1 76 76 CYS H H 76 8.266 8.266 8.730 -0.464 25538 7576 1 16 . 1 1 77 77 GLY N N 77 111.675 111.675 111.070 0.605 25538 7577 1 16 . 1 1 77 77 GLY C C 77 174.662 174.662 174.930 -0.268 25538 7578 1 16 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.170 -0.021 25538 7579 1 16 . 1 1 77 77 GLY H H 77 8.483 8.483 7.874 0.609 25538 7580 1 16 . 1 1 78 78 GLY N N 78 113.022 113.022 107.460 5.562 25538 7581 1 16 . 1 1 78 78 GLY C C 78 172.811 172.811 173.243 -0.432 25538 7582 1 16 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.537 1.215 25538 7583 1 16 . 1 1 78 78 GLY H H 78 8.892 8.892 8.165 0.727 25538 7584 1 16 . 1 1 79 79 ASP N N 79 119.457 119.457 120.871 -1.414 25538 7585 1 16 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.876 0.016 25538 7586 1 16 . 1 1 79 79 ASP C C 79 176.302 176.302 177.244 -0.942 25538 7587 1 16 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.338 -0.291 25538 7588 1 16 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.436 3.835 25538 7589 1 16 . 1 1 79 79 ASP H H 79 7.795 7.795 7.762 0.033 25538 7590 1 16 . 1 1 80 80 LEU N N 80 128.421 128.421 126.612 1.809 25538 7591 1 16 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.126 -0.062 25538 7592 1 16 . 1 1 80 80 LEU C C 80 179.059 179.059 178.019 1.040 25538 7593 1 16 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.741 0.782 25538 7594 1 16 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.324 0.323 25538 7595 1 16 . 1 1 80 80 LEU H H 80 8.549 8.549 8.709 -0.160 25538 7596 1 16 . 1 1 81 81 LEU N N 81 118.678 118.678 120.453 -1.775 25538 7597 1 16 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.053 -0.186 25538 7598 1 16 . 1 1 81 81 LEU C C 81 178.542 178.542 178.408 0.134 25538 7599 1 16 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.136 0.390 25538 7600 1 16 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.274 1.375 25538 7601 1 16 . 1 1 81 81 LEU H H 81 9.974 9.974 9.045 0.929 25538 7602 1 16 . 1 1 82 82 GLY N N 82 105.642 105.642 105.984 -0.342 25538 7603 1 16 . 1 1 82 82 GLY C C 82 176.907 176.907 176.436 0.471 25538 7604 1 16 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.226 0.767 25538 7605 1 16 . 1 1 82 82 GLY H H 82 7.543 7.543 7.686 -0.143 25538 7606 1 16 . 1 1 83 83 GLU N N 83 121.762 121.762 122.257 -0.495 25538 7607 1 16 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.024 -0.042 25538 7608 1 16 . 1 1 83 83 GLU C C 83 179.215 179.215 179.322 -0.107 25538 7609 1 16 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.258 -0.097 25538 7610 1 16 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.459 0.012 25538 7611 1 16 . 1 1 83 83 GLU H H 83 7.537 7.537 8.168 -0.631 25538 7612 1 16 . 1 1 84 84 LEU N N 84 118.478 118.478 119.652 -1.174 25538 7613 1 16 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.073 -0.049 25538 7614 1 16 . 1 1 84 84 LEU C C 84 178.842 178.842 178.330 0.512 25538 7615 1 16 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.254 0.221 25538 7616 1 16 . 1 1 84 84 LEU CB C 84 42.392 42.392 42.073 0.319 25538 7617 1 16 . 1 1 84 84 LEU H H 84 7.717 7.717 8.155 -0.438 25538 7618 1 16 . 1 1 85 85 LEU N N 85 115.268 115.268 113.996 1.272 25538 7619 1 16 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.229 -0.452 25538 7620 1 16 . 1 1 85 85 LEU C C 85 177.773 177.773 177.971 -0.198 25538 7621 1 16 . 1 1 85 85 LEU CA C 85 56.375 56.375 55.908 0.467 25538 7622 1 16 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.413 1.480 25538 7623 1 16 . 1 1 85 85 LEU H H 85 8.091 8.091 7.936 0.155 25538 7624 1 16 . 1 1 86 86 GLY N N 86 107.339 107.339 107.072 0.267 25538 7625 1 16 . 1 1 86 86 GLY C C 86 174.143 174.143 174.311 -0.168 25538 7626 1 16 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.076 1.239 25538 7627 1 16 . 1 1 86 86 GLY H H 86 7.993 7.993 8.068 -0.075 25538 7628 1 16 . 1 1 87 87 ARG N N 87 113.292 113.292 119.541 -6.249 25538 7629 1 16 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.631 0.023 25538 7630 1 16 . 1 1 87 87 ARG C C 87 174.720 174.720 175.468 -0.748 25538 7631 1 16 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.116 -0.956 25538 7632 1 16 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.576 1.880 25538 7633 1 16 . 1 1 87 87 ARG H H 87 7.407 7.407 7.451 -0.044 25538 7634 1 16 . 1 1 88 88 GLN N N 88 116.042 116.042 121.663 -5.621 25538 7635 1 16 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.316 -0.270 25538 7636 1 16 . 1 1 88 88 GLN C C 88 175.946 175.946 175.044 0.902 25538 7637 1 16 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.614 -0.439 25538 7638 1 16 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.364 0.426 25538 7639 1 16 . 1 1 88 88 GLN H H 88 8.660 8.660 8.696 -0.036 25538 7640 1 16 . 1 1 89 89 SER N N 89 110.533 110.533 110.152 0.381 25538 7641 1 16 . 1 1 89 89 SER HA H 89 5.431 5.431 4.926 0.505 25538 7642 1 16 . 1 1 89 89 SER C C 89 173.062 173.062 173.079 -0.017 25538 7643 1 16 . 1 1 89 89 SER CA C 89 57.019 57.019 56.385 0.634 25538 7644 1 16 . 1 1 89 89 SER CB C 89 66.577 66.577 65.830 0.747 25538 7645 1 16 . 1 1 89 89 SER H H 89 7.620 7.620 7.442 0.178 25538 7646 1 16 . 1 1 90 90 PHE N N 90 115.219 115.219 117.373 -2.154 25538 7647 1 16 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.853 -0.158 25538 7648 1 16 . 1 1 90 90 PHE C C 90 175.233 175.233 172.622 2.611 25538 7649 1 16 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.982 0.113 25538 7650 1 16 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.337 0.009 25538 7651 1 16 . 1 1 90 90 PHE H H 90 8.557 8.557 7.642 0.915 25538 7652 1 16 . 1 1 91 91 SER N N 91 113.681 113.681 113.852 -0.171 25538 7653 1 16 . 1 1 91 91 SER HA H 91 5.391 5.391 4.972 0.419 25538 7654 1 16 . 1 1 91 91 SER CA C 91 54.564 54.564 56.777 -2.213 25538 7655 1 16 . 1 1 91 91 SER CB C 91 65.366 65.366 67.271 -1.905 25538 7656 1 16 . 1 1 91 91 SER H H 91 9.006 9.006 8.270 0.736 25538 7657 1 16 . 1 1 92 92 VAL N N 92 121.388 121.388 120.886 0.502 25538 7658 1 16 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.902 0.041 25538 7659 1 16 . 1 1 92 92 VAL CA C 92 64.195 64.195 63.954 0.241 25538 7660 1 16 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.995 -0.764 25538 7661 1 16 . 1 1 92 92 VAL H H 92 8.983 8.983 8.674 0.309 25538 7662 1 16 . 1 1 93 93 LYS N N 93 116.161 116.161 115.613 0.548 25538 7663 1 16 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.330 -0.347 25538 7664 1 16 . 1 1 93 93 LYS C C 93 177.088 177.088 176.237 0.851 25538 7665 1 16 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.730 0.451 25538 7666 1 16 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.316 -0.193 25538 7667 1 16 . 1 1 93 93 LYS H H 93 8.078 8.078 7.415 0.663 25538 7668 1 16 . 1 1 94 94 ASP N N 94 115.406 115.406 120.533 -5.127 25538 7669 1 16 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.010 -0.061 25538 7670 1 16 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.228 0.329 25538 7671 1 16 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.329 0.116 25538 7672 1 16 . 1 1 94 94 ASP H H 94 7.385 7.385 7.820 -0.435 25538 7673 1 16 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.626 -0.189 25538 7674 1 16 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.343 0.546 25538 7675 1 16 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.582 1.177 25538 7676 1 16 . 1 1 96 96 SER N N 96 118.819 118.819 117.039 1.780 25538 7677 1 16 . 1 1 96 96 SER HA H 96 4.220 4.220 4.290 -0.070 25538 7678 1 16 . 1 1 96 96 SER CA C 96 64.406 64.406 63.402 1.004 25538 7679 1 16 . 1 1 96 96 SER CB C 96 61.862 61.862 61.931 -0.069 25538 7680 1 16 . 1 1 96 96 SER H H 96 8.104 8.104 8.045 0.059 25538 7681 1 16 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.308 0.041 25538 7682 1 16 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.138 0.773 25538 7683 1 16 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.195 0.300 25538 7684 1 16 . 1 1 98 98 LEU N N 98 118.063 118.063 121.082 -3.019 25538 7685 1 16 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.742 -0.139 25538 7686 1 16 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.300 -0.199 25538 7687 1 16 . 1 1 98 98 LEU CB C 98 41.396 41.396 40.773 0.623 25538 7688 1 16 . 1 1 98 98 LEU H H 98 7.087 7.087 7.277 -0.190 25538 7689 1 16 . 1 1 99 99 TYR N N 99 118.063 118.063 118.363 -0.300 25538 7690 1 16 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.068 0.076 25538 7691 1 16 . 1 1 99 99 TYR C C 99 178.914 178.914 178.177 0.737 25538 7692 1 16 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.279 -1.011 25538 7693 1 16 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.684 -0.716 25538 7694 1 16 . 1 1 99 99 TYR H H 99 7.594 7.594 8.464 -0.870 25538 7695 1 16 . 1 1 100 100 ASP N N 100 119.682 119.682 120.033 -0.351 25538 7696 1 16 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.300 0.026 25538 7697 1 16 . 1 1 100 100 ASP C C 100 177.737 177.737 178.269 -0.532 25538 7698 1 16 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.399 0.476 25538 7699 1 16 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.864 0.224 25538 7700 1 16 . 1 1 100 100 ASP H H 100 8.315 8.315 8.234 0.081 25538 7701 1 16 . 1 1 101 101 MET N N 101 118.784 118.784 117.953 0.831 25538 7702 1 16 . 1 1 101 101 MET HA H 101 3.969 3.969 4.056 -0.087 25538 7703 1 16 . 1 1 101 101 MET C C 101 180.080 180.080 177.993 2.087 25538 7704 1 16 . 1 1 101 101 MET CA C 101 59.420 59.420 58.930 0.490 25538 7705 1 16 . 1 1 101 101 MET CB C 101 31.642 31.642 32.462 -0.820 25538 7706 1 16 . 1 1 101 101 MET H H 101 7.245 7.245 7.756 -0.511 25538 7707 1 16 . 1 1 102 102 LEU N N 102 121.572 121.572 120.472 1.100 25538 7708 1 16 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.857 -0.156 25538 7709 1 16 . 1 1 102 102 LEU C C 102 178.566 178.566 179.367 -0.801 25538 7710 1 16 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.597 1.146 25538 7711 1 16 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.440 0.006 25538 7712 1 16 . 1 1 102 102 LEU H H 102 8.471 8.471 8.068 0.403 25538 7713 1 16 . 1 1 103 103 ARG N N 103 117.180 117.180 115.574 1.606 25538 7714 1 16 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.107 -0.137 25538 7715 1 16 . 1 1 103 103 ARG C C 103 178.818 178.818 177.540 1.278 25538 7716 1 16 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.661 0.842 25538 7717 1 16 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.243 -0.027 25538 7718 1 16 . 1 1 103 103 ARG H H 103 7.933 7.933 8.145 -0.212 25538 7719 1 16 . 1 1 104 104 LYS N N 104 114.206 114.206 116.518 -2.312 25538 7720 1 16 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.431 -0.215 25538 7721 1 16 . 1 1 104 104 LYS C C 104 177.556 177.556 176.668 0.888 25538 7722 1 16 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.945 0.808 25538 7723 1 16 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.861 1.239 25538 7724 1 16 . 1 1 104 104 LYS H H 104 7.171 7.171 7.489 -0.318 25538 7725 1 16 . 1 1 105 105 ASN N N 105 114.097 114.097 118.512 -4.415 25538 7726 1 16 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.829 -0.098 25538 7727 1 16 . 1 1 105 105 ASN C C 105 172.822 172.822 175.993 -3.171 25538 7728 1 16 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.739 0.104 25538 7729 1 16 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.285 2.057 25538 7730 1 16 . 1 1 105 105 ASN H H 105 7.661 7.661 7.824 -0.163 25538 7731 1 16 . 1 1 106 106 LEU N N 106 118.656 118.656 120.689 -2.033 25538 7732 1 16 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.573 0.098 25538 7733 1 16 . 1 1 106 106 LEU C C 106 175.658 175.658 176.718 -1.060 25538 7734 1 16 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.004 -0.846 25538 7735 1 16 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.829 0.781 25538 7736 1 16 . 1 1 106 106 LEU H H 106 7.440 7.440 8.166 -0.726 25538 7737 1 16 . 1 1 107 107 VAL N N 107 122.765 122.765 117.601 5.164 25538 7738 1 16 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.157 0.057 25538 7739 1 16 . 1 1 107 107 VAL C C 107 176.054 176.054 176.223 -0.169 25538 7740 1 16 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.139 0.004 25538 7741 1 16 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.615 0.941 25538 7742 1 16 . 1 1 107 107 VAL H H 107 8.158 8.158 8.475 -0.317 25538 7743 1 16 . 1 1 108 108 THR N N 108 120.921 120.921 118.002 2.919 25538 7744 1 16 . 1 1 108 108 THR HA H 108 4.332 4.332 4.210 0.122 25538 7745 1 16 . 1 1 108 108 THR C C 108 174.216 174.216 174.234 -0.018 25538 7746 1 16 . 1 1 108 108 THR CA C 108 62.726 62.726 64.013 -1.287 25538 7747 1 16 . 1 1 108 108 THR CB C 108 69.777 69.777 68.653 1.124 25538 7748 1 16 . 1 1 108 108 THR H H 108 8.524 8.524 8.262 0.262 25538 7749 1 16 . 1 1 109 109 LEU N N 109 125.518 125.518 129.135 -3.617 25538 7750 1 16 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.500 -0.145 25538 7751 1 16 . 1 1 109 109 LEU C C 109 176.523 176.523 175.567 0.956 25538 7752 1 16 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.219 0.828 25538 7753 1 16 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.991 -0.401 25538 7754 1 16 . 1 1 109 109 LEU H H 109 8.312 8.312 8.331 -0.019 25538 7755 1 16 . 1 1 110 110 ALA N N 110 125.099 125.099 127.135 -2.036 25538 7756 1 16 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.751 -0.385 25538 7757 1 16 . 1 1 110 110 ALA C C 110 176.847 176.847 175.719 1.128 25538 7758 1 16 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.773 0.855 25538 7759 1 16 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.064 -1.359 25538 7760 1 16 . 1 1 110 110 ALA H H 110 8.257 8.257 8.256 0.001 25538 7761 1 17 . 1 1 24 24 ILE N N 24 120.669 120.669 122.189 -1.520 25538 7762 1 17 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.975 0.172 25538 7763 1 17 . 1 1 24 24 ILE C C 24 175.650 175.650 176.503 -0.853 25538 7764 1 17 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.775 -0.433 25538 7765 1 17 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.552 1.425 25538 7766 1 17 . 1 1 24 24 ILE H H 24 8.122 8.122 8.251 -0.129 25538 7767 1 17 . 1 1 25 25 ASN N N 25 121.886 121.886 126.250 -4.364 25538 7768 1 17 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.845 -0.143 25538 7769 1 17 . 1 1 25 25 ASN C C 25 174.775 174.775 174.386 0.389 25538 7770 1 17 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.657 1.073 25538 7771 1 17 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.626 -0.325 25538 7772 1 17 . 1 1 25 25 ASN H H 25 8.436 8.436 8.563 -0.127 25538 7773 1 17 . 1 1 26 26 GLN N N 26 118.706 118.706 119.717 -1.011 25538 7774 1 17 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.242 0.340 25538 7775 1 17 . 1 1 26 26 GLN C C 26 175.291 175.291 174.018 1.273 25538 7776 1 17 . 1 1 26 26 GLN CA C 26 55.640 55.640 56.643 -1.003 25538 7777 1 17 . 1 1 26 26 GLN CB C 26 32.218 32.218 28.622 3.596 25538 7778 1 17 . 1 1 26 26 GLN H H 26 8.208 8.208 8.627 -0.419 25538 7779 1 17 . 1 1 27 27 VAL N N 27 113.658 113.658 120.906 -7.248 25538 7780 1 17 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.349 0.527 25538 7781 1 17 . 1 1 27 27 VAL C C 27 173.900 173.900 173.917 -0.017 25538 7782 1 17 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.973 -1.857 25538 7783 1 17 . 1 1 27 27 VAL CB C 27 36.014 36.014 33.995 2.019 25538 7784 1 17 . 1 1 27 27 VAL H H 27 9.401 9.401 8.276 1.125 25538 7785 1 17 . 1 1 28 28 ARG N N 28 121.535 121.535 127.146 -5.611 25538 7786 1 17 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.827 0.630 25538 7787 1 17 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.580 -1.009 25538 7788 1 17 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.729 0.923 25538 7789 1 17 . 1 1 28 28 ARG H H 28 8.904 8.904 8.632 0.272 25538 7790 1 17 . 1 1 29 29 PRO HA H 29 5.009 5.009 5.150 -0.141 25538 7791 1 17 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.796 0.144 25538 7792 1 17 . 1 1 29 29 PRO CB C 29 32.254 32.254 34.192 -1.938 25538 7793 1 17 . 1 1 30 30 LYS N N 30 121.258 121.258 119.674 1.584 25538 7794 1 17 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.526 -0.325 25538 7795 1 17 . 1 1 30 30 LYS C C 30 177.557 177.557 177.090 0.467 25538 7796 1 17 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.710 2.675 25538 7797 1 17 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.769 -0.919 25538 7798 1 17 . 1 1 30 30 LYS H H 30 8.477 8.477 8.617 -0.140 25538 7799 1 17 . 1 1 31 31 LEU N N 31 121.577 121.577 126.455 -4.878 25538 7800 1 17 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.218 -0.156 25538 7801 1 17 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.343 0.853 25538 7802 1 17 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.322 0.453 25538 7803 1 17 . 1 1 31 31 LEU H H 31 8.599 8.599 8.921 -0.322 25538 7804 1 17 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.251 -0.114 25538 7805 1 17 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.161 1.324 25538 7806 1 17 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.131 0.455 25538 7807 1 17 . 1 1 33 33 LEU N N 33 113.299 113.299 119.265 -5.966 25538 7808 1 17 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.342 -0.367 25538 7809 1 17 . 1 1 33 33 LEU C C 33 177.726 177.726 178.011 -0.285 25538 7810 1 17 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.075 0.065 25538 7811 1 17 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.339 -0.509 25538 7812 1 17 . 1 1 33 33 LEU H H 33 6.610 6.610 7.510 -0.900 25538 7813 1 17 . 1 1 34 34 LEU N N 34 121.730 121.730 122.288 -0.558 25538 7814 1 17 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.812 -0.416 25538 7815 1 17 . 1 1 34 34 LEU C C 34 177.467 177.467 178.471 -1.004 25538 7816 1 17 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.547 -0.286 25538 7817 1 17 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.754 0.082 25538 7818 1 17 . 1 1 34 34 LEU H H 34 8.411 8.411 8.682 -0.271 25538 7819 1 17 . 1 1 35 35 LYS N N 35 114.927 114.927 117.366 -2.439 25538 7820 1 17 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.915 -0.111 25538 7821 1 17 . 1 1 35 35 LYS C C 35 180.207 180.207 179.063 1.144 25538 7822 1 17 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.776 1.364 25538 7823 1 17 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.808 0.761 25538 7824 1 17 . 1 1 35 35 LYS H H 35 7.964 7.964 8.205 -0.241 25538 7825 1 17 . 1 1 36 36 ILE N N 36 119.935 119.935 120.134 -0.199 25538 7826 1 17 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.573 -0.270 25538 7827 1 17 . 1 1 36 36 ILE C C 36 176.418 176.418 177.951 -1.533 25538 7828 1 17 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.983 1.501 25538 7829 1 17 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.472 1.157 25538 7830 1 17 . 1 1 36 36 ILE H H 36 6.739 6.739 7.468 -0.729 25538 7831 1 17 . 1 1 37 37 LEU N N 37 116.682 116.682 120.844 -4.162 25538 7832 1 17 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.464 0.064 25538 7833 1 17 . 1 1 37 37 LEU C C 37 180.263 180.263 179.129 1.134 25538 7834 1 17 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.287 -0.062 25538 7835 1 17 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.705 -1.563 25538 7836 1 17 . 1 1 37 37 LEU H H 37 7.633 7.633 7.651 -0.018 25538 7837 1 17 . 1 1 38 38 HIS N N 38 117.463 117.463 117.799 -0.336 25538 7838 1 17 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.141 0.541 25538 7839 1 17 . 1 1 38 38 HIS C C 38 179.936 179.936 177.887 2.049 25538 7840 1 17 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.081 -1.790 25538 7841 1 17 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.877 0.855 25538 7842 1 17 . 1 1 38 38 HIS H H 38 8.932 8.932 8.589 0.343 25538 7843 1 17 . 1 1 39 39 ALA N N 39 124.102 124.102 121.703 2.399 25538 7844 1 17 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.144 0.107 25538 7845 1 17 . 1 1 39 39 ALA C C 39 178.764 178.764 178.589 0.175 25538 7846 1 17 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.148 0.975 25538 7847 1 17 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.605 -0.494 25538 7848 1 17 . 1 1 39 39 ALA H H 39 7.951 7.951 8.085 -0.134 25538 7849 1 17 . 1 1 40 40 ALA N N 40 118.164 118.164 118.929 -0.765 25538 7850 1 17 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.327 0.094 25538 7851 1 17 . 1 1 40 40 ALA C C 40 176.261 176.261 177.785 -1.524 25538 7852 1 17 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.951 -0.815 25538 7853 1 17 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.398 1.714 25538 7854 1 17 . 1 1 40 40 ALA H H 40 7.647 7.647 8.054 -0.407 25538 7855 1 17 . 1 1 41 41 GLY N N 41 103.894 103.894 104.573 -0.679 25538 7856 1 17 . 1 1 41 41 GLY C C 41 174.412 174.412 174.295 0.117 25538 7857 1 17 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.497 0.357 25538 7858 1 17 . 1 1 41 41 GLY H H 41 7.677 7.677 7.715 -0.038 25538 7859 1 17 . 1 1 42 42 ALA N N 42 123.549 123.549 122.528 1.021 25538 7860 1 17 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.314 -0.684 25538 7861 1 17 . 1 1 42 42 ALA C C 42 175.956 175.956 175.227 0.729 25538 7862 1 17 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.468 1.212 25538 7863 1 17 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.035 -0.801 25538 7864 1 17 . 1 1 42 42 ALA H H 42 7.559 7.559 7.731 -0.172 25538 7865 1 17 . 1 1 43 43 GLN N N 43 117.516 117.516 117.068 0.448 25538 7866 1 17 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.714 0.664 25538 7867 1 17 . 1 1 43 43 GLN C C 43 175.528 175.528 175.094 0.434 25538 7868 1 17 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.226 -0.607 25538 7869 1 17 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.541 0.655 25538 7870 1 17 . 1 1 43 43 GLN H H 43 8.531 8.531 8.341 0.190 25538 7871 1 17 . 1 1 44 44 GLY N N 44 108.084 108.084 111.575 -3.491 25538 7872 1 17 . 1 1 44 44 GLY C C 44 174.073 174.073 174.116 -0.043 25538 7873 1 17 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.935 -0.312 25538 7874 1 17 . 1 1 44 44 GLY H H 44 8.535 8.535 8.328 0.207 25538 7875 1 17 . 1 1 45 45 GLU N N 45 114.485 114.485 118.120 -3.635 25538 7876 1 17 . 1 1 45 45 GLU HA H 45 4.610 4.610 4.223 0.387 25538 7877 1 17 . 1 1 45 45 GLU C C 45 174.007 174.007 174.713 -0.706 25538 7878 1 17 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.963 0.887 25538 7879 1 17 . 1 1 45 45 GLU CB C 45 33.035 33.035 30.066 2.970 25538 7880 1 17 . 1 1 45 45 GLU H H 45 8.293 8.293 8.594 -0.301 25538 7881 1 17 . 1 1 46 46 MET N N 46 115.370 115.370 119.909 -4.539 25538 7882 1 17 . 1 1 46 46 MET HA H 46 5.047 5.047 4.294 0.753 25538 7883 1 17 . 1 1 46 46 MET C C 46 174.637 174.637 174.060 0.577 25538 7884 1 17 . 1 1 46 46 MET CA C 46 54.239 54.239 54.658 -0.420 25538 7885 1 17 . 1 1 46 46 MET CB C 46 35.727 35.727 34.206 1.522 25538 7886 1 17 . 1 1 46 46 MET H H 46 6.871 6.871 7.059 -0.188 25538 7887 1 17 . 1 1 47 47 PHE N N 47 118.922 118.922 122.262 -3.340 25538 7888 1 17 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.869 0.235 25538 7889 1 17 . 1 1 47 47 PHE C C 47 175.742 175.742 174.533 1.209 25538 7890 1 17 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.150 2.216 25538 7891 1 17 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.986 5.896 25538 7892 1 17 . 1 1 47 47 PHE H H 47 8.611 8.611 8.108 0.503 25538 7893 1 17 . 1 1 48 48 THR N N 48 110.603 110.603 112.568 -1.965 25538 7894 1 17 . 1 1 48 48 THR HA H 48 4.982 4.982 4.441 0.541 25538 7895 1 17 . 1 1 48 48 THR C C 48 176.666 176.666 176.084 0.582 25538 7896 1 17 . 1 1 48 48 THR CA C 48 61.021 61.021 60.694 0.327 25538 7897 1 17 . 1 1 48 48 THR CB C 48 71.136 71.136 70.544 0.592 25538 7898 1 17 . 1 1 48 48 THR H H 48 9.113 9.113 8.094 1.019 25538 7899 1 17 . 1 1 49 49 VAL N N 49 121.595 121.595 122.551 -0.956 25538 7900 1 17 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.699 -0.306 25538 7901 1 17 . 1 1 49 49 VAL C C 49 177.726 177.726 177.490 0.236 25538 7902 1 17 . 1 1 49 49 VAL CA C 49 68.209 68.209 65.892 2.317 25538 7903 1 17 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.798 -0.437 25538 7904 1 17 . 1 1 49 49 VAL H H 49 9.074 9.074 9.006 0.068 25538 7905 1 17 . 1 1 50 50 LYS N N 50 118.504 118.504 118.050 0.454 25538 7906 1 17 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.968 -0.009 25538 7907 1 17 . 1 1 50 50 LYS C C 50 180.060 180.060 179.148 0.912 25538 7908 1 17 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.913 0.007 25538 7909 1 17 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.883 0.924 25538 7910 1 17 . 1 1 50 50 LYS H H 50 8.131 8.131 8.499 -0.368 25538 7911 1 17 . 1 1 51 51 GLU N N 51 119.547 119.547 119.339 0.208 25538 7912 1 17 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.195 -0.157 25538 7913 1 17 . 1 1 51 51 GLU C C 51 178.583 178.583 178.757 -0.174 25538 7914 1 17 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.569 1.288 25538 7915 1 17 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.847 1.555 25538 7916 1 17 . 1 1 51 51 GLU H H 51 7.882 7.882 7.863 0.019 25538 7917 1 17 . 1 1 52 52 VAL N N 52 119.078 119.078 121.383 -2.305 25538 7918 1 17 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.571 -0.317 25538 7919 1 17 . 1 1 52 52 VAL C C 52 177.546 177.546 178.537 -0.991 25538 7920 1 17 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.889 0.972 25538 7921 1 17 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.791 -0.560 25538 7922 1 17 . 1 1 52 52 VAL H H 52 8.258 8.258 8.769 -0.511 25538 7923 1 17 . 1 1 53 53 MET N N 53 114.606 114.606 115.978 -1.372 25538 7924 1 17 . 1 1 53 53 MET HA H 53 4.231 4.231 4.224 0.007 25538 7925 1 17 . 1 1 53 53 MET C C 53 178.640 178.640 178.455 0.185 25538 7926 1 17 . 1 1 53 53 MET CA C 53 57.902 57.902 56.623 1.279 25538 7927 1 17 . 1 1 53 53 MET CB C 53 32.640 32.640 30.668 1.972 25538 7928 1 17 . 1 1 53 53 MET H H 53 8.201 8.201 8.391 -0.190 25538 7929 1 17 . 1 1 54 54 HIS N N 54 118.707 118.707 121.124 -2.417 25538 7930 1 17 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.166 -0.020 25538 7931 1 17 . 1 1 54 54 HIS C C 54 178.531 178.531 177.519 1.012 25538 7932 1 17 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.362 -0.350 25538 7933 1 17 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.568 0.592 25538 7934 1 17 . 1 1 54 54 HIS H H 54 8.122 8.122 7.727 0.395 25538 7935 1 17 . 1 1 55 55 TYR N N 55 116.875 116.875 118.417 -1.542 25538 7936 1 17 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.075 -0.207 25538 7937 1 17 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.839 1.898 25538 7938 1 17 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.618 1.416 25538 7939 1 17 . 1 1 55 55 TYR H H 55 8.480 8.480 8.479 0.001 25538 7940 1 17 . 1 1 56 56 LEU N N 56 120.976 120.976 119.866 1.110 25538 7941 1 17 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.884 -0.053 25538 7942 1 17 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.829 0.534 25538 7943 1 17 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.549 0.843 25538 7944 1 17 . 1 1 56 56 LEU H H 56 8.452 8.452 8.177 0.275 25538 7945 1 17 . 1 1 57 57 GLY N N 57 105.050 105.050 106.715 -1.665 25538 7946 1 17 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.005 0.141 25538 7947 1 17 . 1 1 57 57 GLY H H 57 7.710 7.710 8.660 -0.950 25538 7948 1 17 . 1 1 58 58 GLN N N 58 119.017 119.017 122.436 -3.419 25538 7949 1 17 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.874 -0.047 25538 7950 1 17 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.034 -0.356 25538 7951 1 17 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.511 0.364 25538 7952 1 17 . 1 1 58 58 GLN H H 58 7.649 7.649 8.163 -0.514 25538 7953 1 17 . 1 1 59 59 TYR N N 59 120.995 120.995 121.216 -0.221 25538 7954 1 17 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.148 -0.344 25538 7955 1 17 . 1 1 59 59 TYR C C 59 176.215 176.215 177.624 -1.409 25538 7956 1 17 . 1 1 59 59 TYR CA C 59 62.565 62.565 61.913 0.652 25538 7957 1 17 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.373 0.230 25538 7958 1 17 . 1 1 59 59 TYR H H 59 8.500 8.500 8.359 0.141 25538 7959 1 17 . 1 1 60 60 ILE N N 60 116.781 116.781 119.890 -3.109 25538 7960 1 17 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.602 -0.327 25538 7961 1 17 . 1 1 60 60 ILE C C 60 177.952 177.952 178.223 -0.271 25538 7962 1 17 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.911 -0.241 25538 7963 1 17 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.971 0.587 25538 7964 1 17 . 1 1 60 60 ILE H H 60 7.612 7.612 8.462 -0.850 25538 7965 1 17 . 1 1 61 61 MET N N 61 115.626 115.626 117.704 -2.078 25538 7966 1 17 . 1 1 61 61 MET HA H 61 4.529 4.529 4.191 0.338 25538 7967 1 17 . 1 1 61 61 MET C C 61 180.579 180.579 178.766 1.813 25538 7968 1 17 . 1 1 61 61 MET CA C 61 57.662 57.662 57.772 -0.110 25538 7969 1 17 . 1 1 61 61 MET CB C 61 31.449 31.449 31.656 -0.207 25538 7970 1 17 . 1 1 61 61 MET H H 61 7.717 7.717 8.121 -0.404 25538 7971 1 17 . 1 1 62 62 VAL N N 62 120.907 120.907 119.244 1.663 25538 7972 1 17 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.766 0.063 25538 7973 1 17 . 1 1 62 62 VAL C C 62 178.786 178.786 177.905 0.881 25538 7974 1 17 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.385 0.616 25538 7975 1 17 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.909 0.074 25538 7976 1 17 . 1 1 62 62 VAL H H 62 9.021 9.021 8.392 0.629 25538 7977 1 17 . 1 1 63 63 LYS N N 63 116.704 116.704 118.628 -1.924 25538 7978 1 17 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.181 -0.124 25538 7979 1 17 . 1 1 63 63 LYS C C 63 174.784 174.784 175.992 -1.208 25538 7980 1 17 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.673 0.410 25538 7981 1 17 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.370 -1.038 25538 7982 1 17 . 1 1 63 63 LYS H H 63 7.824 7.824 7.978 -0.154 25538 7983 1 17 . 1 1 64 64 GLN N N 64 115.371 115.371 113.726 1.645 25538 7984 1 17 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.149 -0.528 25538 7985 1 17 . 1 1 64 64 GLN C C 64 175.550 175.550 175.623 -0.073 25538 7986 1 17 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.260 0.720 25538 7987 1 17 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.953 0.295 25538 7988 1 17 . 1 1 64 64 GLN H H 64 7.653 7.653 8.255 -0.602 25538 7989 1 17 . 1 1 65 65 LEU N N 65 115.332 115.332 121.601 -6.269 25538 7990 1 17 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.584 -0.149 25538 7991 1 17 . 1 1 65 65 LEU C C 65 175.979 175.979 175.578 0.401 25538 7992 1 17 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.804 0.797 25538 7993 1 17 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.253 1.683 25538 7994 1 17 . 1 1 65 65 LEU H H 65 8.059 8.059 8.273 -0.214 25538 7995 1 17 . 1 1 66 66 TYR N N 66 113.240 113.240 114.980 -1.740 25538 7996 1 17 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.111 0.149 25538 7997 1 17 . 1 1 66 66 TYR C C 66 174.107 174.107 173.840 0.267 25538 7998 1 17 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.313 -0.639 25538 7999 1 17 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.748 -0.989 25538 8000 1 17 . 1 1 66 66 TYR H H 66 6.845 6.845 7.379 -0.534 25538 8001 1 17 . 1 1 67 67 ASP N N 67 122.255 122.255 121.151 1.104 25538 8002 1 17 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.865 -0.430 25538 8003 1 17 . 1 1 67 67 ASP C C 67 176.779 176.779 176.946 -0.167 25538 8004 1 17 . 1 1 67 67 ASP CA C 67 53.786 53.786 53.017 0.768 25538 8005 1 17 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.872 -0.513 25538 8006 1 17 . 1 1 67 67 ASP H H 67 8.341 8.341 8.251 0.090 25538 8007 1 17 . 1 1 68 68 GLN N N 68 123.090 123.090 124.008 -0.918 25538 8008 1 17 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.156 -0.275 25538 8009 1 17 . 1 1 68 68 GLN C C 68 177.122 177.122 176.554 0.568 25538 8010 1 17 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.880 1.009 25538 8011 1 17 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.453 0.612 25538 8012 1 17 . 1 1 68 68 GLN H H 68 8.552 8.552 8.727 -0.175 25538 8013 1 17 . 1 1 69 69 GLN N N 69 115.295 115.295 119.266 -3.971 25538 8014 1 17 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.454 -0.115 25538 8015 1 17 . 1 1 69 69 GLN C C 69 176.272 176.272 176.801 -0.529 25538 8016 1 17 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.508 0.427 25538 8017 1 17 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.463 -0.547 25538 8018 1 17 . 1 1 69 69 GLN H H 69 8.347 8.347 8.492 -0.145 25538 8019 1 17 . 1 1 70 70 GLU N N 70 122.341 122.341 122.163 0.178 25538 8020 1 17 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.619 -0.128 25538 8021 1 17 . 1 1 70 70 GLU C C 70 175.832 175.832 176.348 -0.516 25538 8022 1 17 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.223 -0.137 25538 8023 1 17 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.472 1.066 25538 8024 1 17 . 1 1 70 70 GLU H H 70 8.237 8.237 8.711 -0.474 25538 8025 1 17 . 1 1 71 71 GLN N N 71 119.185 119.185 119.199 -0.014 25538 8026 1 17 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.306 0.195 25538 8027 1 17 . 1 1 71 71 GLN C C 71 173.848 173.848 176.173 -2.325 25538 8028 1 17 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.921 1.879 25538 8029 1 17 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.915 -0.733 25538 8030 1 17 . 1 1 71 71 GLN H H 71 8.206 8.206 7.924 0.282 25538 8031 1 17 . 1 1 72 72 HIS N N 72 109.549 109.549 112.163 -2.614 25538 8032 1 17 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.564 -0.384 25538 8033 1 17 . 1 1 72 72 HIS C C 72 175.790 175.790 174.361 1.429 25538 8034 1 17 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.067 1.214 25538 8035 1 17 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.829 1.246 25538 8036 1 17 . 1 1 72 72 HIS H H 72 7.383 7.383 8.085 -0.702 25538 8037 1 17 . 1 1 73 73 MET N N 73 119.174 119.174 120.675 -1.501 25538 8038 1 17 . 1 1 73 73 MET HA H 73 4.570 4.570 4.653 -0.083 25538 8039 1 17 . 1 1 73 73 MET C C 73 174.242 174.242 173.995 0.247 25538 8040 1 17 . 1 1 73 73 MET CA C 73 53.027 53.027 53.980 -0.953 25538 8041 1 17 . 1 1 73 73 MET CB C 73 31.709 31.709 34.185 -2.476 25538 8042 1 17 . 1 1 73 73 MET H H 73 7.655 7.655 7.370 0.285 25538 8043 1 17 . 1 1 74 74 VAL N N 74 122.522 122.522 125.748 -3.226 25538 8044 1 17 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.190 -0.267 25538 8045 1 17 . 1 1 74 74 VAL C C 74 174.851 174.851 174.430 0.421 25538 8046 1 17 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.083 0.311 25538 8047 1 17 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.613 0.174 25538 8048 1 17 . 1 1 74 74 VAL H H 74 8.443 8.443 8.606 -0.163 25538 8049 1 17 . 1 1 75 75 TYR N N 75 125.773 125.773 124.448 1.325 25538 8050 1 17 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.042 -0.290 25538 8051 1 17 . 1 1 75 75 TYR C C 75 174.923 174.923 176.477 -1.554 25538 8052 1 17 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.673 1.139 25538 8053 1 17 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.547 0.086 25538 8054 1 17 . 1 1 75 75 TYR H H 75 8.256 8.256 8.977 -0.721 25538 8055 1 17 . 1 1 76 76 CYS N N 76 116.702 116.702 123.777 -7.075 25538 8056 1 17 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.500 0.247 25538 8057 1 17 . 1 1 76 76 CYS C C 76 174.231 174.231 176.726 -2.495 25538 8058 1 17 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.468 -3.365 25538 8059 1 17 . 1 1 76 76 CYS CB C 76 29.589 29.589 24.946 4.643 25538 8060 1 17 . 1 1 76 76 CYS H H 76 8.266 8.266 8.639 -0.373 25538 8061 1 17 . 1 1 77 77 GLY N N 77 111.675 111.675 111.210 0.465 25538 8062 1 17 . 1 1 77 77 GLY C C 77 174.662 174.662 174.771 -0.109 25538 8063 1 17 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.225 -0.076 25538 8064 1 17 . 1 1 77 77 GLY H H 77 8.483 8.483 7.881 0.602 25538 8065 1 17 . 1 1 78 78 GLY N N 78 113.022 113.022 107.477 5.545 25538 8066 1 17 . 1 1 78 78 GLY C C 78 172.811 172.811 173.202 -0.391 25538 8067 1 17 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.551 1.201 25538 8068 1 17 . 1 1 78 78 GLY H H 78 8.892 8.892 8.134 0.758 25538 8069 1 17 . 1 1 79 79 ASP N N 79 119.457 119.457 121.000 -1.543 25538 8070 1 17 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.813 0.079 25538 8071 1 17 . 1 1 79 79 ASP C C 79 176.302 176.302 177.172 -0.870 25538 8072 1 17 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.423 -0.376 25538 8073 1 17 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.763 3.508 25538 8074 1 17 . 1 1 79 79 ASP H H 79 7.795 7.795 7.801 -0.006 25538 8075 1 17 . 1 1 80 80 LEU N N 80 128.421 128.421 127.001 1.420 25538 8076 1 17 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.140 -0.076 25538 8077 1 17 . 1 1 80 80 LEU C C 80 179.059 179.059 177.885 1.174 25538 8078 1 17 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.792 0.731 25538 8079 1 17 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.233 0.414 25538 8080 1 17 . 1 1 80 80 LEU H H 80 8.549 8.549 8.782 -0.233 25538 8081 1 17 . 1 1 81 81 LEU N N 81 118.678 118.678 119.873 -1.195 25538 8082 1 17 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.098 -0.231 25538 8083 1 17 . 1 1 81 81 LEU C C 81 178.542 178.542 178.486 0.056 25538 8084 1 17 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.100 0.426 25538 8085 1 17 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.373 1.276 25538 8086 1 17 . 1 1 81 81 LEU H H 81 9.974 9.974 9.139 0.835 25538 8087 1 17 . 1 1 82 82 GLY N N 82 105.642 105.642 106.341 -0.699 25538 8088 1 17 . 1 1 82 82 GLY C C 82 176.907 176.907 176.453 0.454 25538 8089 1 17 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.188 0.805 25538 8090 1 17 . 1 1 82 82 GLY H H 82 7.543 7.543 7.713 -0.170 25538 8091 1 17 . 1 1 83 83 GLU N N 83 121.762 121.762 122.109 -0.347 25538 8092 1 17 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.075 -0.093 25538 8093 1 17 . 1 1 83 83 GLU C C 83 179.215 179.215 179.263 -0.048 25538 8094 1 17 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.282 -0.121 25538 8095 1 17 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.370 0.101 25538 8096 1 17 . 1 1 83 83 GLU H H 83 7.537 7.537 8.188 -0.651 25538 8097 1 17 . 1 1 84 84 LEU N N 84 118.478 118.478 119.986 -1.508 25538 8098 1 17 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.081 -0.057 25538 8099 1 17 . 1 1 84 84 LEU C C 84 178.842 178.842 178.828 0.014 25538 8100 1 17 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.434 0.041 25538 8101 1 17 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.768 0.624 25538 8102 1 17 . 1 1 84 84 LEU H H 84 7.717 7.717 8.208 -0.491 25538 8103 1 17 . 1 1 85 85 LEU N N 85 115.268 115.268 113.841 1.427 25538 8104 1 17 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.260 -0.483 25538 8105 1 17 . 1 1 85 85 LEU C C 85 177.773 177.773 177.860 -0.087 25538 8106 1 17 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.213 0.162 25538 8107 1 17 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.288 1.605 25538 8108 1 17 . 1 1 85 85 LEU H H 85 8.091 8.091 8.093 -0.002 25538 8109 1 17 . 1 1 86 86 GLY N N 86 107.339 107.339 107.125 0.214 25538 8110 1 17 . 1 1 86 86 GLY C C 86 174.143 174.143 174.417 -0.274 25538 8111 1 17 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.224 1.091 25538 8112 1 17 . 1 1 86 86 GLY H H 86 7.993 7.993 8.046 -0.053 25538 8113 1 17 . 1 1 87 87 ARG N N 87 113.292 113.292 120.129 -6.837 25538 8114 1 17 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.613 0.041 25538 8115 1 17 . 1 1 87 87 ARG C C 87 174.720 174.720 175.537 -0.817 25538 8116 1 17 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.900 -0.740 25538 8117 1 17 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.264 2.192 25538 8118 1 17 . 1 1 87 87 ARG H H 87 7.407 7.407 7.520 -0.113 25538 8119 1 17 . 1 1 88 88 GLN N N 88 116.042 116.042 122.316 -6.274 25538 8120 1 17 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.332 -0.286 25538 8121 1 17 . 1 1 88 88 GLN C C 88 175.946 175.946 174.736 1.210 25538 8122 1 17 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.482 -0.307 25538 8123 1 17 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.320 0.470 25538 8124 1 17 . 1 1 88 88 GLN H H 88 8.660 8.660 8.727 -0.067 25538 8125 1 17 . 1 1 89 89 SER N N 89 110.533 110.533 110.645 -0.112 25538 8126 1 17 . 1 1 89 89 SER HA H 89 5.431 5.431 4.816 0.615 25538 8127 1 17 . 1 1 89 89 SER C C 89 173.062 173.062 173.132 -0.070 25538 8128 1 17 . 1 1 89 89 SER CA C 89 57.019 57.019 56.871 0.148 25538 8129 1 17 . 1 1 89 89 SER CB C 89 66.577 66.577 65.791 0.786 25538 8130 1 17 . 1 1 89 89 SER H H 89 7.620 7.620 7.466 0.154 25538 8131 1 17 . 1 1 90 90 PHE N N 90 115.219 115.219 116.911 -1.692 25538 8132 1 17 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.902 -0.207 25538 8133 1 17 . 1 1 90 90 PHE C C 90 175.233 175.233 172.622 2.611 25538 8134 1 17 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.452 0.644 25538 8135 1 17 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.363 -0.017 25538 8136 1 17 . 1 1 90 90 PHE H H 90 8.557 8.557 7.439 1.118 25538 8137 1 17 . 1 1 91 91 SER N N 91 113.681 113.681 114.924 -1.243 25538 8138 1 17 . 1 1 91 91 SER HA H 91 5.391 5.391 5.188 0.203 25538 8139 1 17 . 1 1 91 91 SER CA C 91 54.564 54.564 54.620 -0.056 25538 8140 1 17 . 1 1 91 91 SER CB C 91 65.366 65.366 65.452 -0.086 25538 8141 1 17 . 1 1 91 91 SER H H 91 9.006 9.006 8.444 0.562 25538 8142 1 17 . 1 1 92 92 VAL N N 92 121.388 121.388 121.872 -0.484 25538 8143 1 17 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.965 -0.022 25538 8144 1 17 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.791 -0.596 25538 8145 1 17 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.616 -0.386 25538 8146 1 17 . 1 1 92 92 VAL H H 92 8.983 8.983 8.769 0.214 25538 8147 1 17 . 1 1 93 93 LYS N N 93 116.161 116.161 117.992 -1.831 25538 8148 1 17 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.457 -0.474 25538 8149 1 17 . 1 1 93 93 LYS C C 93 177.088 177.088 176.290 0.798 25538 8150 1 17 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.522 0.659 25538 8151 1 17 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.677 -0.553 25538 8152 1 17 . 1 1 93 93 LYS H H 93 8.078 8.078 7.785 0.293 25538 8153 1 17 . 1 1 94 94 ASP N N 94 115.406 115.406 119.058 -3.652 25538 8154 1 17 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.033 -0.084 25538 8155 1 17 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.707 -0.150 25538 8156 1 17 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.857 -0.412 25538 8157 1 17 . 1 1 94 94 ASP H H 94 7.385 7.385 7.891 -0.506 25538 8158 1 17 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.720 -0.283 25538 8159 1 17 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.497 0.392 25538 8160 1 17 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.811 0.949 25538 8161 1 17 . 1 1 96 96 SER N N 96 118.819 118.819 117.363 1.456 25538 8162 1 17 . 1 1 96 96 SER HA H 96 4.220 4.220 4.329 -0.109 25538 8163 1 17 . 1 1 96 96 SER CA C 96 64.406 64.406 63.728 0.678 25538 8164 1 17 . 1 1 96 96 SER CB C 96 61.862 61.862 61.221 0.641 25538 8165 1 17 . 1 1 96 96 SER H H 96 8.104 8.104 7.821 0.283 25538 8166 1 17 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.381 -0.032 25538 8167 1 17 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.305 0.606 25538 8168 1 17 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.527 -0.032 25538 8169 1 17 . 1 1 98 98 LEU N N 98 118.063 118.063 120.880 -2.817 25538 8170 1 17 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.745 -0.142 25538 8171 1 17 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.780 -0.679 25538 8172 1 17 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.352 0.044 25538 8173 1 17 . 1 1 98 98 LEU H H 98 7.087 7.087 7.099 -0.012 25538 8174 1 17 . 1 1 99 99 TYR N N 99 118.063 118.063 118.274 -0.211 25538 8175 1 17 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.050 0.094 25538 8176 1 17 . 1 1 99 99 TYR C C 99 178.914 178.914 177.755 1.159 25538 8177 1 17 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.487 -1.220 25538 8178 1 17 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.804 -0.836 25538 8179 1 17 . 1 1 99 99 TYR H H 99 7.594 7.594 8.510 -0.916 25538 8180 1 17 . 1 1 100 100 ASP N N 100 119.682 119.682 119.842 -0.160 25538 8181 1 17 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.342 -0.016 25538 8182 1 17 . 1 1 100 100 ASP C C 100 177.737 177.737 178.553 -0.816 25538 8183 1 17 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.322 0.553 25538 8184 1 17 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.958 0.130 25538 8185 1 17 . 1 1 100 100 ASP H H 100 8.315 8.315 7.927 0.388 25538 8186 1 17 . 1 1 101 101 MET N N 101 118.784 118.784 119.595 -0.811 25538 8187 1 17 . 1 1 101 101 MET HA H 101 3.969 3.969 4.025 -0.056 25538 8188 1 17 . 1 1 101 101 MET C C 101 180.080 180.080 177.855 2.225 25538 8189 1 17 . 1 1 101 101 MET CA C 101 59.420 59.420 58.233 1.187 25538 8190 1 17 . 1 1 101 101 MET CB C 101 31.642 31.642 32.264 -0.622 25538 8191 1 17 . 1 1 101 101 MET H H 101 7.245 7.245 7.889 -0.644 25538 8192 1 17 . 1 1 102 102 LEU N N 102 121.572 121.572 119.361 2.211 25538 8193 1 17 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.758 -0.057 25538 8194 1 17 . 1 1 102 102 LEU C C 102 178.566 178.566 178.971 -0.405 25538 8195 1 17 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.957 0.786 25538 8196 1 17 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.445 0.001 25538 8197 1 17 . 1 1 102 102 LEU H H 102 8.471 8.471 8.177 0.294 25538 8198 1 17 . 1 1 103 103 ARG N N 103 117.180 117.180 114.601 2.579 25538 8199 1 17 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.069 -0.099 25538 8200 1 17 . 1 1 103 103 ARG C C 103 178.818 178.818 177.498 1.320 25538 8201 1 17 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.708 0.795 25538 8202 1 17 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.419 -0.203 25538 8203 1 17 . 1 1 103 103 ARG H H 103 7.933 7.933 8.125 -0.192 25538 8204 1 17 . 1 1 104 104 LYS N N 104 114.206 114.206 115.863 -1.657 25538 8205 1 17 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.380 -0.164 25538 8206 1 17 . 1 1 104 104 LYS C C 104 177.556 177.556 176.802 0.754 25538 8207 1 17 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.392 0.361 25538 8208 1 17 . 1 1 104 104 LYS CB C 104 34.100 34.100 33.127 0.973 25538 8209 1 17 . 1 1 104 104 LYS H H 104 7.171 7.171 7.608 -0.437 25538 8210 1 17 . 1 1 105 105 ASN N N 105 114.097 114.097 117.629 -3.532 25538 8211 1 17 . 1 1 105 105 ASN HA H 105 4.731 4.731 5.111 -0.380 25538 8212 1 17 . 1 1 105 105 ASN C C 105 172.822 172.822 173.425 -0.603 25538 8213 1 17 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.300 0.543 25538 8214 1 17 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.317 1.024 25538 8215 1 17 . 1 1 105 105 ASN H H 105 7.661 7.661 8.025 -0.364 25538 8216 1 17 . 1 1 106 106 LEU N N 106 118.656 118.656 115.035 3.621 25538 8217 1 17 . 1 1 106 106 LEU HA H 106 4.671 4.671 5.180 -0.509 25538 8218 1 17 . 1 1 106 106 LEU C C 106 175.658 175.658 174.580 1.078 25538 8219 1 17 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.891 0.267 25538 8220 1 17 . 1 1 106 106 LEU CB C 106 43.610 43.610 44.580 -0.970 25538 8221 1 17 . 1 1 106 106 LEU H H 106 7.440 7.440 8.007 -0.567 25538 8222 1 17 . 1 1 107 107 VAL N N 107 122.765 122.765 115.415 7.350 25538 8223 1 17 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.250 -0.036 25538 8224 1 17 . 1 1 107 107 VAL C C 107 176.054 176.054 176.098 -0.044 25538 8225 1 17 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.230 -0.087 25538 8226 1 17 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.552 1.004 25538 8227 1 17 . 1 1 107 107 VAL H H 107 8.158 8.158 8.316 -0.158 25538 8228 1 17 . 1 1 108 108 THR N N 108 120.921 120.921 119.316 1.605 25538 8229 1 17 . 1 1 108 108 THR HA H 108 4.332 4.332 4.196 0.136 25538 8230 1 17 . 1 1 108 108 THR C C 108 174.216 174.216 174.310 -0.094 25538 8231 1 17 . 1 1 108 108 THR CA C 108 62.726 62.726 63.277 -0.551 25538 8232 1 17 . 1 1 108 108 THR CB C 108 69.777 69.777 68.596 1.181 25538 8233 1 17 . 1 1 108 108 THR H H 108 8.524 8.524 8.116 0.408 25538 8234 1 17 . 1 1 109 109 LEU N N 109 125.518 125.518 128.137 -2.619 25538 8235 1 17 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.493 -0.138 25538 8236 1 17 . 1 1 109 109 LEU C C 109 176.523 176.523 176.256 0.267 25538 8237 1 17 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.224 0.823 25538 8238 1 17 . 1 1 109 109 LEU CB C 109 42.590 42.590 43.279 -0.689 25538 8239 1 17 . 1 1 109 109 LEU H H 109 8.312 8.312 8.099 0.213 25538 8240 1 17 . 1 1 110 110 ALA N N 110 125.099 125.099 123.799 1.300 25538 8241 1 17 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.698 -0.332 25538 8242 1 17 . 1 1 110 110 ALA C C 110 176.847 176.847 175.544 1.303 25538 8243 1 17 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.583 1.046 25538 8244 1 17 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.067 -1.361 25538 8245 1 17 . 1 1 110 110 ALA H H 110 8.257 8.257 8.019 0.238 25538 8246 1 18 . 1 1 24 24 ILE N N 24 120.669 120.669 121.452 -0.783 25538 8247 1 18 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.042 0.105 25538 8248 1 18 . 1 1 24 24 ILE C C 24 175.650 175.650 175.956 -0.306 25538 8249 1 18 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.209 -0.867 25538 8250 1 18 . 1 1 24 24 ILE CB C 24 38.977 38.977 36.400 2.577 25538 8251 1 18 . 1 1 24 24 ILE H H 24 8.122 8.122 8.594 -0.472 25538 8252 1 18 . 1 1 25 25 ASN N N 25 121.886 121.886 125.308 -3.422 25538 8253 1 18 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.780 -0.078 25538 8254 1 18 . 1 1 25 25 ASN C C 25 174.775 174.775 174.020 0.755 25538 8255 1 18 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.223 0.507 25538 8256 1 18 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.156 -0.855 25538 8257 1 18 . 1 1 25 25 ASN H H 25 8.436 8.436 8.988 -0.552 25538 8258 1 18 . 1 1 26 26 GLN N N 26 118.706 118.706 119.594 -0.888 25538 8259 1 18 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.635 -0.053 25538 8260 1 18 . 1 1 26 26 GLN C C 26 175.291 175.291 174.072 1.219 25538 8261 1 18 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.508 0.132 25538 8262 1 18 . 1 1 26 26 GLN CB C 26 32.218 32.218 31.374 0.844 25538 8263 1 18 . 1 1 26 26 GLN H H 26 8.208 8.208 7.889 0.319 25538 8264 1 18 . 1 1 27 27 VAL N N 27 113.658 113.658 120.532 -6.874 25538 8265 1 18 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.344 0.532 25538 8266 1 18 . 1 1 27 27 VAL C C 27 173.900 173.900 173.880 0.020 25538 8267 1 18 . 1 1 27 27 VAL CA C 27 59.116 59.116 62.101 -2.985 25538 8268 1 18 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.443 0.571 25538 8269 1 18 . 1 1 27 27 VAL H H 27 9.401 9.401 8.089 1.312 25538 8270 1 18 . 1 1 28 28 ARG N N 28 121.535 121.535 122.594 -1.059 25538 8271 1 18 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.939 0.518 25538 8272 1 18 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.974 -0.403 25538 8273 1 18 . 1 1 28 28 ARG CB C 28 33.652 33.652 31.650 2.002 25538 8274 1 18 . 1 1 28 28 ARG H H 28 8.904 8.904 8.695 0.209 25538 8275 1 18 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.753 0.256 25538 8276 1 18 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.421 0.519 25538 8277 1 18 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.098 -0.844 25538 8278 1 18 . 1 1 30 30 LYS N N 30 121.258 121.258 119.283 1.975 25538 8279 1 18 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.398 -0.197 25538 8280 1 18 . 1 1 30 30 LYS C C 30 177.557 177.557 178.239 -0.682 25538 8281 1 18 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.013 2.372 25538 8282 1 18 . 1 1 30 30 LYS CB C 30 33.850 33.850 33.334 0.516 25538 8283 1 18 . 1 1 30 30 LYS H H 30 8.477 8.477 8.243 0.234 25538 8284 1 18 . 1 1 31 31 LEU N N 31 121.577 121.577 124.931 -3.354 25538 8285 1 18 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.169 -0.107 25538 8286 1 18 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.502 0.694 25538 8287 1 18 . 1 1 31 31 LEU CB C 31 39.775 39.775 39.862 -0.087 25538 8288 1 18 . 1 1 31 31 LEU H H 31 8.599 8.599 8.931 -0.332 25538 8289 1 18 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.267 -0.130 25538 8290 1 18 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.424 1.061 25538 8291 1 18 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.343 0.243 25538 8292 1 18 . 1 1 33 33 LEU N N 33 113.299 113.299 118.642 -5.343 25538 8293 1 18 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.237 -0.262 25538 8294 1 18 . 1 1 33 33 LEU C C 33 177.726 177.726 178.434 -0.708 25538 8295 1 18 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.659 -0.519 25538 8296 1 18 . 1 1 33 33 LEU CB C 33 41.830 41.830 41.689 0.141 25538 8297 1 18 . 1 1 33 33 LEU H H 33 6.610 6.610 7.488 -0.878 25538 8298 1 18 . 1 1 34 34 LEU N N 34 121.730 121.730 122.069 -0.339 25538 8299 1 18 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.881 -0.485 25538 8300 1 18 . 1 1 34 34 LEU C C 34 177.467 177.467 178.271 -0.804 25538 8301 1 18 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.828 -0.566 25538 8302 1 18 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.759 0.077 25538 8303 1 18 . 1 1 34 34 LEU H H 34 8.411 8.411 8.977 -0.566 25538 8304 1 18 . 1 1 35 35 LYS N N 35 114.927 114.927 117.793 -2.866 25538 8305 1 18 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.898 -0.094 25538 8306 1 18 . 1 1 35 35 LYS C C 35 180.207 180.207 178.941 1.266 25538 8307 1 18 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.997 1.143 25538 8308 1 18 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.724 0.845 25538 8309 1 18 . 1 1 35 35 LYS H H 35 7.964 7.964 7.623 0.341 25538 8310 1 18 . 1 1 36 36 ILE N N 36 119.935 119.935 119.947 -0.012 25538 8311 1 18 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.416 -0.113 25538 8312 1 18 . 1 1 36 36 ILE C C 36 176.418 176.418 178.074 -1.656 25538 8313 1 18 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.911 1.573 25538 8314 1 18 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.368 1.261 25538 8315 1 18 . 1 1 36 36 ILE H H 36 6.739 6.739 7.100 -0.361 25538 8316 1 18 . 1 1 37 37 LEU N N 37 116.682 116.682 120.495 -3.813 25538 8317 1 18 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.404 0.124 25538 8318 1 18 . 1 1 37 37 LEU C C 37 180.263 180.263 178.981 1.282 25538 8319 1 18 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.140 0.085 25538 8320 1 18 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.694 -1.552 25538 8321 1 18 . 1 1 37 37 LEU H H 37 7.633 7.633 8.155 -0.522 25538 8322 1 18 . 1 1 38 38 HIS N N 38 117.463 117.463 117.802 -0.339 25538 8323 1 18 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.141 0.541 25538 8324 1 18 . 1 1 38 38 HIS C C 38 179.936 179.936 177.822 2.114 25538 8325 1 18 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.130 -1.839 25538 8326 1 18 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.906 0.826 25538 8327 1 18 . 1 1 38 38 HIS H H 38 8.932 8.932 8.618 0.314 25538 8328 1 18 . 1 1 39 39 ALA N N 39 124.102 124.102 121.767 2.335 25538 8329 1 18 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.105 0.146 25538 8330 1 18 . 1 1 39 39 ALA C C 39 178.764 178.764 178.735 0.029 25538 8331 1 18 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.300 0.823 25538 8332 1 18 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.530 -0.419 25538 8333 1 18 . 1 1 39 39 ALA H H 39 7.951 7.951 8.085 -0.134 25538 8334 1 18 . 1 1 40 40 ALA N N 40 118.164 118.164 118.715 -0.551 25538 8335 1 18 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.349 0.072 25538 8336 1 18 . 1 1 40 40 ALA C C 40 176.261 176.261 177.692 -1.431 25538 8337 1 18 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.193 -1.057 25538 8338 1 18 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.395 1.717 25538 8339 1 18 . 1 1 40 40 ALA H H 40 7.647 7.647 8.064 -0.417 25538 8340 1 18 . 1 1 41 41 GLY N N 41 103.894 103.894 103.894 0.000 25538 8341 1 18 . 1 1 41 41 GLY C C 41 174.412 174.412 173.986 0.426 25538 8342 1 18 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.847 0.007 25538 8343 1 18 . 1 1 41 41 GLY H H 41 7.677 7.677 7.636 0.041 25538 8344 1 18 . 1 1 42 42 ALA N N 42 123.549 123.549 123.223 0.326 25538 8345 1 18 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.400 -0.770 25538 8346 1 18 . 1 1 42 42 ALA C C 42 175.956 175.956 175.522 0.434 25538 8347 1 18 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.447 1.233 25538 8348 1 18 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.362 -1.129 25538 8349 1 18 . 1 1 42 42 ALA H H 42 7.559 7.559 7.382 0.177 25538 8350 1 18 . 1 1 43 43 GLN N N 43 117.516 117.516 114.774 2.742 25538 8351 1 18 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.493 0.885 25538 8352 1 18 . 1 1 43 43 GLN C C 43 175.528 175.528 174.154 1.374 25538 8353 1 18 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.048 -0.429 25538 8354 1 18 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.114 2.082 25538 8355 1 18 . 1 1 43 43 GLN H H 43 8.531 8.531 8.113 0.418 25538 8356 1 18 . 1 1 44 44 GLY N N 44 108.084 108.084 108.398 -0.314 25538 8357 1 18 . 1 1 44 44 GLY C C 44 174.073 174.073 173.902 0.171 25538 8358 1 18 . 1 1 44 44 GLY CA C 44 44.623 44.623 45.624 -1.001 25538 8359 1 18 . 1 1 44 44 GLY H H 44 8.535 8.535 7.848 0.687 25538 8360 1 18 . 1 1 45 45 GLU N N 45 114.485 114.485 124.984 -10.499 25538 8361 1 18 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.175 1.435 25538 8362 1 18 . 1 1 45 45 GLU C C 45 174.007 174.007 174.900 -0.893 25538 8363 1 18 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.936 0.914 25538 8364 1 18 . 1 1 45 45 GLU CB C 45 33.035 33.035 27.821 5.214 25538 8365 1 18 . 1 1 45 45 GLU H H 45 8.293 8.293 8.768 -0.475 25538 8366 1 18 . 1 1 46 46 MET N N 46 115.370 115.370 118.834 -3.464 25538 8367 1 18 . 1 1 46 46 MET HA H 46 5.047 5.047 4.538 0.509 25538 8368 1 18 . 1 1 46 46 MET C C 46 174.637 174.637 173.939 0.698 25538 8369 1 18 . 1 1 46 46 MET CA C 46 54.239 54.239 53.220 1.019 25538 8370 1 18 . 1 1 46 46 MET CB C 46 35.727 35.727 33.226 2.501 25538 8371 1 18 . 1 1 46 46 MET H H 46 6.871 6.871 7.200 -0.329 25538 8372 1 18 . 1 1 47 47 PHE N N 47 118.922 118.922 119.184 -0.262 25538 8373 1 18 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.844 0.260 25538 8374 1 18 . 1 1 47 47 PHE C C 47 175.742 175.742 175.489 0.253 25538 8375 1 18 . 1 1 47 47 PHE CA C 47 57.365 57.365 55.256 2.109 25538 8376 1 18 . 1 1 47 47 PHE CB C 47 46.882 46.882 38.375 8.507 25538 8377 1 18 . 1 1 47 47 PHE H H 47 8.611 8.611 6.687 1.924 25538 8378 1 18 . 1 1 48 48 THR N N 48 110.603 110.603 113.428 -2.825 25538 8379 1 18 . 1 1 48 48 THR HA H 48 4.982 4.982 4.528 0.454 25538 8380 1 18 . 1 1 48 48 THR C C 48 176.666 176.666 175.661 1.005 25538 8381 1 18 . 1 1 48 48 THR CA C 48 61.021 61.021 59.950 1.071 25538 8382 1 18 . 1 1 48 48 THR CB C 48 71.136 71.136 71.084 0.052 25538 8383 1 18 . 1 1 48 48 THR H H 48 9.113 9.113 8.036 1.077 25538 8384 1 18 . 1 1 49 49 VAL N N 49 121.595 121.595 122.183 -0.588 25538 8385 1 18 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.661 -0.268 25538 8386 1 18 . 1 1 49 49 VAL C C 49 177.726 177.726 177.312 0.414 25538 8387 1 18 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.656 1.553 25538 8388 1 18 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.803 -0.442 25538 8389 1 18 . 1 1 49 49 VAL H H 49 9.074 9.074 8.988 0.086 25538 8390 1 18 . 1 1 50 50 LYS N N 50 118.504 118.504 117.908 0.596 25538 8391 1 18 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.952 0.007 25538 8392 1 18 . 1 1 50 50 LYS C C 50 180.060 180.060 178.889 1.171 25538 8393 1 18 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.880 0.040 25538 8394 1 18 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.676 1.131 25538 8395 1 18 . 1 1 50 50 LYS H H 50 8.131 8.131 8.373 -0.242 25538 8396 1 18 . 1 1 51 51 GLU N N 51 119.547 119.547 119.605 -0.058 25538 8397 1 18 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.223 -0.185 25538 8398 1 18 . 1 1 51 51 GLU C C 51 178.583 178.583 178.860 -0.277 25538 8399 1 18 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.348 1.508 25538 8400 1 18 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.854 1.548 25538 8401 1 18 . 1 1 51 51 GLU H H 51 7.882 7.882 7.815 0.067 25538 8402 1 18 . 1 1 52 52 VAL N N 52 119.078 119.078 121.536 -2.458 25538 8403 1 18 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.586 -0.332 25538 8404 1 18 . 1 1 52 52 VAL C C 52 177.546 177.546 178.529 -0.983 25538 8405 1 18 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.906 0.955 25538 8406 1 18 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.785 -0.554 25538 8407 1 18 . 1 1 52 52 VAL H H 52 8.258 8.258 8.727 -0.469 25538 8408 1 18 . 1 1 53 53 MET N N 53 114.606 114.606 115.765 -1.159 25538 8409 1 18 . 1 1 53 53 MET HA H 53 4.231 4.231 4.180 0.051 25538 8410 1 18 . 1 1 53 53 MET C C 53 178.640 178.640 178.290 0.350 25538 8411 1 18 . 1 1 53 53 MET CA C 53 57.902 57.902 57.036 0.866 25538 8412 1 18 . 1 1 53 53 MET CB C 53 32.640 32.640 30.739 1.901 25538 8413 1 18 . 1 1 53 53 MET H H 53 8.201 8.201 8.365 -0.164 25538 8414 1 18 . 1 1 54 54 HIS N N 54 118.707 118.707 121.001 -2.294 25538 8415 1 18 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.082 0.064 25538 8416 1 18 . 1 1 54 54 HIS C C 54 178.531 178.531 177.519 1.012 25538 8417 1 18 . 1 1 54 54 HIS CA C 54 60.012 60.012 59.744 0.268 25538 8418 1 18 . 1 1 54 54 HIS CB C 54 30.160 30.160 30.256 -0.096 25538 8419 1 18 . 1 1 54 54 HIS H H 54 8.122 8.122 7.638 0.484 25538 8420 1 18 . 1 1 55 55 TYR N N 55 116.875 116.875 118.164 -1.289 25538 8421 1 18 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.106 -0.238 25538 8422 1 18 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.518 2.219 25538 8423 1 18 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.739 1.294 25538 8424 1 18 . 1 1 55 55 TYR H H 55 8.480 8.480 8.531 -0.051 25538 8425 1 18 . 1 1 56 56 LEU N N 56 120.976 120.976 120.009 0.967 25538 8426 1 18 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.919 -0.088 25538 8427 1 18 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.903 0.460 25538 8428 1 18 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.553 0.839 25538 8429 1 18 . 1 1 56 56 LEU H H 56 8.452 8.452 8.285 0.167 25538 8430 1 18 . 1 1 57 57 GLY N N 57 105.050 105.050 106.701 -1.651 25538 8431 1 18 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.094 0.052 25538 8432 1 18 . 1 1 57 57 GLY H H 57 7.710 7.710 8.540 -0.830 25538 8433 1 18 . 1 1 58 58 GLN N N 58 119.017 119.017 122.288 -3.271 25538 8434 1 18 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.874 -0.047 25538 8435 1 18 . 1 1 58 58 GLN CA C 58 58.678 58.678 59.042 -0.364 25538 8436 1 18 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.544 0.331 25538 8437 1 18 . 1 1 58 58 GLN H H 58 7.649 7.649 8.051 -0.402 25538 8438 1 18 . 1 1 59 59 TYR N N 59 120.995 120.995 121.088 -0.093 25538 8439 1 18 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.146 -0.342 25538 8440 1 18 . 1 1 59 59 TYR C C 59 176.215 176.215 177.699 -1.484 25538 8441 1 18 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.078 0.487 25538 8442 1 18 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.486 0.117 25538 8443 1 18 . 1 1 59 59 TYR H H 59 8.500 8.500 8.308 0.192 25538 8444 1 18 . 1 1 60 60 ILE N N 60 116.781 116.781 120.056 -3.275 25538 8445 1 18 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.583 -0.308 25538 8446 1 18 . 1 1 60 60 ILE C C 60 177.952 177.952 178.257 -0.305 25538 8447 1 18 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.799 -0.129 25538 8448 1 18 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.878 0.680 25538 8449 1 18 . 1 1 60 60 ILE H H 60 7.612 7.612 8.472 -0.860 25538 8450 1 18 . 1 1 61 61 MET N N 61 115.626 115.626 118.119 -2.493 25538 8451 1 18 . 1 1 61 61 MET HA H 61 4.529 4.529 4.170 0.359 25538 8452 1 18 . 1 1 61 61 MET C C 61 180.579 180.579 178.350 2.229 25538 8453 1 18 . 1 1 61 61 MET CA C 61 57.662 57.662 58.219 -0.557 25538 8454 1 18 . 1 1 61 61 MET CB C 61 31.449 31.449 31.989 -0.540 25538 8455 1 18 . 1 1 61 61 MET H H 61 7.717 7.717 8.034 -0.317 25538 8456 1 18 . 1 1 62 62 VAL N N 62 120.907 120.907 118.924 1.983 25538 8457 1 18 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.789 0.040 25538 8458 1 18 . 1 1 62 62 VAL C C 62 178.786 178.786 177.891 0.895 25538 8459 1 18 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.481 0.520 25538 8460 1 18 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.908 0.075 25538 8461 1 18 . 1 1 62 62 VAL H H 62 9.021 9.021 8.155 0.866 25538 8462 1 18 . 1 1 63 63 LYS N N 63 116.704 116.704 117.068 -0.364 25538 8463 1 18 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.315 -0.258 25538 8464 1 18 . 1 1 63 63 LYS C C 63 174.784 174.784 175.829 -1.045 25538 8465 1 18 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.205 0.878 25538 8466 1 18 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.326 -0.994 25538 8467 1 18 . 1 1 63 63 LYS H H 63 7.824 7.824 7.916 -0.092 25538 8468 1 18 . 1 1 64 64 GLN N N 64 115.371 115.371 114.961 0.410 25538 8469 1 18 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.206 -0.585 25538 8470 1 18 . 1 1 64 64 GLN C C 64 175.550 175.550 175.727 -0.177 25538 8471 1 18 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.310 0.669 25538 8472 1 18 . 1 1 64 64 GLN CB C 64 26.248 26.248 26.293 -0.045 25538 8473 1 18 . 1 1 64 64 GLN H H 64 7.653 7.653 8.103 -0.450 25538 8474 1 18 . 1 1 65 65 LEU N N 65 115.332 115.332 121.015 -5.683 25538 8475 1 18 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.643 -0.208 25538 8476 1 18 . 1 1 65 65 LEU C C 65 175.979 175.979 175.624 0.355 25538 8477 1 18 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.316 1.285 25538 8478 1 18 . 1 1 65 65 LEU CB C 65 41.936 41.936 39.530 2.406 25538 8479 1 18 . 1 1 65 65 LEU H H 65 8.059 8.059 8.235 -0.176 25538 8480 1 18 . 1 1 66 66 TYR N N 66 113.240 113.240 115.748 -2.508 25538 8481 1 18 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.069 0.191 25538 8482 1 18 . 1 1 66 66 TYR C C 66 174.107 174.107 173.819 0.288 25538 8483 1 18 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.550 -0.876 25538 8484 1 18 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.733 -0.974 25538 8485 1 18 . 1 1 66 66 TYR H H 66 6.845 6.845 7.520 -0.675 25538 8486 1 18 . 1 1 67 67 ASP N N 67 122.255 122.255 120.953 1.302 25538 8487 1 18 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.843 -0.408 25538 8488 1 18 . 1 1 67 67 ASP C C 67 176.779 176.779 176.775 0.004 25538 8489 1 18 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.807 0.979 25538 8490 1 18 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.916 -0.557 25538 8491 1 18 . 1 1 67 67 ASP H H 67 8.341 8.341 8.227 0.114 25538 8492 1 18 . 1 1 68 68 GLN N N 68 123.090 123.090 123.658 -0.568 25538 8493 1 18 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.193 -0.312 25538 8494 1 18 . 1 1 68 68 GLN C C 68 177.122 177.122 176.485 0.637 25538 8495 1 18 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.875 1.014 25538 8496 1 18 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.717 0.348 25538 8497 1 18 . 1 1 68 68 GLN H H 68 8.552 8.552 8.704 -0.152 25538 8498 1 18 . 1 1 69 69 GLN N N 69 115.295 115.295 119.157 -3.862 25538 8499 1 18 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.466 -0.127 25538 8500 1 18 . 1 1 69 69 GLN C C 69 176.272 176.272 176.808 -0.536 25538 8501 1 18 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.825 0.110 25538 8502 1 18 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.618 -0.702 25538 8503 1 18 . 1 1 69 69 GLN H H 69 8.347 8.347 8.519 -0.172 25538 8504 1 18 . 1 1 70 70 GLU N N 70 122.341 122.341 122.800 -0.459 25538 8505 1 18 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.584 -0.093 25538 8506 1 18 . 1 1 70 70 GLU C C 70 175.832 175.832 176.321 -0.489 25538 8507 1 18 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.111 -0.025 25538 8508 1 18 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.376 1.162 25538 8509 1 18 . 1 1 70 70 GLU H H 70 8.237 8.237 8.668 -0.431 25538 8510 1 18 . 1 1 71 71 GLN N N 71 119.185 119.185 119.045 0.140 25538 8511 1 18 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.318 0.183 25538 8512 1 18 . 1 1 71 71 GLN C C 71 173.848 173.848 176.312 -2.464 25538 8513 1 18 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.999 1.801 25538 8514 1 18 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.965 -0.783 25538 8515 1 18 . 1 1 71 71 GLN H H 71 8.206 8.206 7.767 0.439 25538 8516 1 18 . 1 1 72 72 HIS N N 72 109.549 109.549 112.131 -2.582 25538 8517 1 18 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.533 -0.353 25538 8518 1 18 . 1 1 72 72 HIS C C 72 175.790 175.790 174.422 1.368 25538 8519 1 18 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.433 0.848 25538 8520 1 18 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.751 1.324 25538 8521 1 18 . 1 1 72 72 HIS H H 72 7.383 7.383 8.148 -0.765 25538 8522 1 18 . 1 1 73 73 MET N N 73 119.174 119.174 120.414 -1.240 25538 8523 1 18 . 1 1 73 73 MET HA H 73 4.570 4.570 4.751 -0.181 25538 8524 1 18 . 1 1 73 73 MET C C 73 174.242 174.242 173.956 0.286 25538 8525 1 18 . 1 1 73 73 MET CA C 73 53.027 53.027 53.932 -0.905 25538 8526 1 18 . 1 1 73 73 MET CB C 73 31.709 31.709 34.550 -2.841 25538 8527 1 18 . 1 1 73 73 MET H H 73 7.655 7.655 7.414 0.241 25538 8528 1 18 . 1 1 74 74 VAL N N 74 122.522 122.522 125.307 -2.785 25538 8529 1 18 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.125 -0.202 25538 8530 1 18 . 1 1 74 74 VAL C C 74 174.851 174.851 174.326 0.525 25538 8531 1 18 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.206 0.188 25538 8532 1 18 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.686 0.101 25538 8533 1 18 . 1 1 74 74 VAL H H 74 8.443 8.443 8.617 -0.174 25538 8534 1 18 . 1 1 75 75 TYR N N 75 125.773 125.773 125.190 0.583 25538 8535 1 18 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.046 -0.294 25538 8536 1 18 . 1 1 75 75 TYR C C 75 174.923 174.923 176.297 -1.374 25538 8537 1 18 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.675 1.137 25538 8538 1 18 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.117 0.516 25538 8539 1 18 . 1 1 75 75 TYR H H 75 8.256 8.256 8.926 -0.670 25538 8540 1 18 . 1 1 76 76 CYS N N 76 116.702 116.702 123.433 -6.731 25538 8541 1 18 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.452 0.295 25538 8542 1 18 . 1 1 76 76 CYS C C 76 174.231 174.231 175.716 -1.485 25538 8543 1 18 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.017 -2.914 25538 8544 1 18 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.707 3.882 25538 8545 1 18 . 1 1 76 76 CYS H H 76 8.266 8.266 8.503 -0.237 25538 8546 1 18 . 1 1 77 77 GLY N N 77 111.675 111.675 110.097 1.578 25538 8547 1 18 . 1 1 77 77 GLY C C 77 174.662 174.662 174.601 0.061 25538 8548 1 18 . 1 1 77 77 GLY CA C 77 47.149 47.149 45.861 1.288 25538 8549 1 18 . 1 1 77 77 GLY H H 77 8.483 8.483 7.792 0.691 25538 8550 1 18 . 1 1 78 78 GLY N N 78 113.022 113.022 110.675 2.347 25538 8551 1 18 . 1 1 78 78 GLY C C 78 172.811 172.811 173.453 -0.642 25538 8552 1 18 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.881 0.871 25538 8553 1 18 . 1 1 78 78 GLY H H 78 8.892 8.892 8.295 0.597 25538 8554 1 18 . 1 1 79 79 ASP N N 79 119.457 119.457 120.579 -1.122 25538 8555 1 18 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.950 -0.058 25538 8556 1 18 . 1 1 79 79 ASP C C 79 176.302 176.302 177.493 -1.191 25538 8557 1 18 . 1 1 79 79 ASP CA C 79 53.047 53.047 52.737 0.310 25538 8558 1 18 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.235 4.036 25538 8559 1 18 . 1 1 79 79 ASP H H 79 7.795 7.795 7.943 -0.148 25538 8560 1 18 . 1 1 80 80 LEU N N 80 128.421 128.421 124.588 3.833 25538 8561 1 18 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.078 -0.014 25538 8562 1 18 . 1 1 80 80 LEU C C 80 179.059 179.059 178.679 0.380 25538 8563 1 18 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.800 0.723 25538 8564 1 18 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.178 0.469 25538 8565 1 18 . 1 1 80 80 LEU H H 80 8.549 8.549 8.742 -0.193 25538 8566 1 18 . 1 1 81 81 LEU N N 81 118.678 118.678 120.347 -1.669 25538 8567 1 18 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.037 -0.170 25538 8568 1 18 . 1 1 81 81 LEU C C 81 178.542 178.542 178.244 0.298 25538 8569 1 18 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.136 0.390 25538 8570 1 18 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.359 1.290 25538 8571 1 18 . 1 1 81 81 LEU H H 81 9.974 9.974 8.987 0.987 25538 8572 1 18 . 1 1 82 82 GLY N N 82 105.642 105.642 105.806 -0.164 25538 8573 1 18 . 1 1 82 82 GLY C C 82 176.907 176.907 176.556 0.351 25538 8574 1 18 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.211 0.782 25538 8575 1 18 . 1 1 82 82 GLY H H 82 7.543 7.543 7.826 -0.283 25538 8576 1 18 . 1 1 83 83 GLU N N 83 121.762 121.762 122.658 -0.896 25538 8577 1 18 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.074 -0.092 25538 8578 1 18 . 1 1 83 83 GLU C C 83 179.215 179.215 179.348 -0.133 25538 8579 1 18 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.340 -0.180 25538 8580 1 18 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.497 -0.026 25538 8581 1 18 . 1 1 83 83 GLU H H 83 7.537 7.537 8.187 -0.650 25538 8582 1 18 . 1 1 84 84 LEU N N 84 118.478 118.478 118.264 0.214 25538 8583 1 18 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.129 -0.105 25538 8584 1 18 . 1 1 84 84 LEU C C 84 178.842 178.842 178.841 0.001 25538 8585 1 18 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.926 0.549 25538 8586 1 18 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.801 0.591 25538 8587 1 18 . 1 1 84 84 LEU H H 84 7.717 7.717 8.311 -0.594 25538 8588 1 18 . 1 1 85 85 LEU N N 85 115.268 115.268 114.273 0.995 25538 8589 1 18 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.204 -0.427 25538 8590 1 18 . 1 1 85 85 LEU C C 85 177.773 177.773 177.964 -0.191 25538 8591 1 18 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.402 -0.027 25538 8592 1 18 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.708 1.185 25538 8593 1 18 . 1 1 85 85 LEU H H 85 8.091 8.091 7.966 0.125 25538 8594 1 18 . 1 1 86 86 GLY N N 86 107.339 107.339 106.854 0.485 25538 8595 1 18 . 1 1 86 86 GLY C C 86 174.143 174.143 174.285 -0.142 25538 8596 1 18 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.007 1.308 25538 8597 1 18 . 1 1 86 86 GLY H H 86 7.993 7.993 8.017 -0.024 25538 8598 1 18 . 1 1 87 87 ARG N N 87 113.292 113.292 119.841 -6.549 25538 8599 1 18 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.630 0.024 25538 8600 1 18 . 1 1 87 87 ARG C C 87 174.720 174.720 175.495 -0.775 25538 8601 1 18 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.121 -0.961 25538 8602 1 18 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.447 2.009 25538 8603 1 18 . 1 1 87 87 ARG H H 87 7.407 7.407 7.513 -0.106 25538 8604 1 18 . 1 1 88 88 GLN N N 88 116.042 116.042 122.382 -6.340 25538 8605 1 18 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.349 -0.303 25538 8606 1 18 . 1 1 88 88 GLN C C 88 175.946 175.946 174.788 1.158 25538 8607 1 18 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.400 -0.225 25538 8608 1 18 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.390 0.400 25538 8609 1 18 . 1 1 88 88 GLN H H 88 8.660 8.660 8.718 -0.058 25538 8610 1 18 . 1 1 89 89 SER N N 89 110.533 110.533 110.490 0.043 25538 8611 1 18 . 1 1 89 89 SER HA H 89 5.431 5.431 4.922 0.509 25538 8612 1 18 . 1 1 89 89 SER C C 89 173.062 173.062 173.012 0.050 25538 8613 1 18 . 1 1 89 89 SER CA C 89 57.019 57.019 56.447 0.572 25538 8614 1 18 . 1 1 89 89 SER CB C 89 66.577 66.577 65.800 0.777 25538 8615 1 18 . 1 1 89 89 SER H H 89 7.620 7.620 7.460 0.160 25538 8616 1 18 . 1 1 90 90 PHE N N 90 115.219 115.219 117.742 -2.523 25538 8617 1 18 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.879 -0.184 25538 8618 1 18 . 1 1 90 90 PHE C C 90 175.233 175.233 172.441 2.792 25538 8619 1 18 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.851 0.244 25538 8620 1 18 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.429 -0.083 25538 8621 1 18 . 1 1 90 90 PHE H H 90 8.557 8.557 7.744 0.813 25538 8622 1 18 . 1 1 91 91 SER N N 91 113.681 113.681 114.714 -1.033 25538 8623 1 18 . 1 1 91 91 SER HA H 91 5.391 5.391 5.151 0.240 25538 8624 1 18 . 1 1 91 91 SER CA C 91 54.564 54.564 55.041 -0.477 25538 8625 1 18 . 1 1 91 91 SER CB C 91 65.366 65.366 65.767 -0.401 25538 8626 1 18 . 1 1 91 91 SER H H 91 9.006 9.006 8.479 0.527 25538 8627 1 18 . 1 1 92 92 VAL N N 92 121.388 121.388 126.229 -4.841 25538 8628 1 18 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.886 0.057 25538 8629 1 18 . 1 1 92 92 VAL CA C 92 64.195 64.195 65.079 -0.884 25538 8630 1 18 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.059 -0.828 25538 8631 1 18 . 1 1 92 92 VAL H H 92 8.983 8.983 9.127 -0.144 25538 8632 1 18 . 1 1 93 93 LYS N N 93 116.161 116.161 118.951 -2.790 25538 8633 1 18 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.295 -0.312 25538 8634 1 18 . 1 1 93 93 LYS C C 93 177.088 177.088 176.014 1.074 25538 8635 1 18 . 1 1 93 93 LYS CA C 93 57.181 57.181 57.178 0.003 25538 8636 1 18 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.131 -1.007 25538 8637 1 18 . 1 1 93 93 LYS H H 93 8.078 8.078 7.835 0.243 25538 8638 1 18 . 1 1 94 94 ASP N N 94 115.406 115.406 118.615 -3.209 25538 8639 1 18 . 1 1 94 94 ASP HA H 94 4.949 4.949 4.954 -0.005 25538 8640 1 18 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.595 -0.038 25538 8641 1 18 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.251 0.194 25538 8642 1 18 . 1 1 94 94 ASP H H 94 7.385 7.385 7.617 -0.232 25538 8643 1 18 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.800 -0.363 25538 8644 1 18 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.329 0.560 25538 8645 1 18 . 1 1 95 95 PRO CB C 95 32.760 32.760 30.864 1.895 25538 8646 1 18 . 1 1 96 96 SER N N 96 118.819 118.819 117.066 1.753 25538 8647 1 18 . 1 1 96 96 SER HA H 96 4.220 4.220 4.364 -0.144 25538 8648 1 18 . 1 1 96 96 SER CA C 96 64.406 64.406 63.056 1.350 25538 8649 1 18 . 1 1 96 96 SER CB C 96 61.862 61.862 61.977 -0.115 25538 8650 1 18 . 1 1 96 96 SER H H 96 8.104 8.104 8.232 -0.128 25538 8651 1 18 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.319 0.030 25538 8652 1 18 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.201 0.710 25538 8653 1 18 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.398 0.097 25538 8654 1 18 . 1 1 98 98 LEU N N 98 118.063 118.063 120.663 -2.600 25538 8655 1 18 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.737 -0.135 25538 8656 1 18 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.415 -0.314 25538 8657 1 18 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.322 0.074 25538 8658 1 18 . 1 1 98 98 LEU H H 98 7.087 7.087 7.315 -0.228 25538 8659 1 18 . 1 1 99 99 TYR N N 99 118.063 118.063 118.355 -0.292 25538 8660 1 18 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.002 0.142 25538 8661 1 18 . 1 1 99 99 TYR C C 99 178.914 178.914 177.875 1.039 25538 8662 1 18 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.671 -1.403 25538 8663 1 18 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.914 -0.946 25538 8664 1 18 . 1 1 99 99 TYR H H 99 7.594 7.594 8.565 -0.971 25538 8665 1 18 . 1 1 100 100 ASP N N 100 119.682 119.682 119.750 -0.068 25538 8666 1 18 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.307 0.019 25538 8667 1 18 . 1 1 100 100 ASP C C 100 177.737 177.737 178.246 -0.509 25538 8668 1 18 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.336 0.539 25538 8669 1 18 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.890 0.198 25538 8670 1 18 . 1 1 100 100 ASP H H 100 8.315 8.315 7.898 0.417 25538 8671 1 18 . 1 1 101 101 MET N N 101 118.784 118.784 118.802 -0.018 25538 8672 1 18 . 1 1 101 101 MET HA H 101 3.969 3.969 4.135 -0.166 25538 8673 1 18 . 1 1 101 101 MET C C 101 180.080 180.080 177.849 2.231 25538 8674 1 18 . 1 1 101 101 MET CA C 101 59.420 59.420 58.315 1.105 25538 8675 1 18 . 1 1 101 101 MET CB C 101 31.642 31.642 32.164 -0.522 25538 8676 1 18 . 1 1 101 101 MET H H 101 7.245 7.245 7.826 -0.581 25538 8677 1 18 . 1 1 102 102 LEU N N 102 121.572 121.572 120.534 1.038 25538 8678 1 18 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.802 -0.101 25538 8679 1 18 . 1 1 102 102 LEU C C 102 178.566 178.566 179.379 -0.813 25538 8680 1 18 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.828 0.916 25538 8681 1 18 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.301 0.145 25538 8682 1 18 . 1 1 102 102 LEU H H 102 8.471 8.471 8.175 0.296 25538 8683 1 18 . 1 1 103 103 ARG N N 103 117.180 117.180 115.088 2.092 25538 8684 1 18 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.114 -0.144 25538 8685 1 18 . 1 1 103 103 ARG C C 103 178.818 178.818 177.627 1.191 25538 8686 1 18 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.578 0.925 25538 8687 1 18 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.295 -0.079 25538 8688 1 18 . 1 1 103 103 ARG H H 103 7.933 7.933 8.000 -0.067 25538 8689 1 18 . 1 1 104 104 LYS N N 104 114.206 114.206 115.606 -1.400 25538 8690 1 18 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.377 -0.161 25538 8691 1 18 . 1 1 104 104 LYS C C 104 177.556 177.556 176.453 1.103 25538 8692 1 18 . 1 1 104 104 LYS CA C 104 57.753 57.753 56.866 0.887 25538 8693 1 18 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.738 1.362 25538 8694 1 18 . 1 1 104 104 LYS H H 104 7.171 7.171 7.458 -0.287 25538 8695 1 18 . 1 1 105 105 ASN N N 105 114.097 114.097 116.354 -2.257 25538 8696 1 18 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.811 -0.080 25538 8697 1 18 . 1 1 105 105 ASN C C 105 172.822 172.822 175.474 -2.652 25538 8698 1 18 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.419 0.424 25538 8699 1 18 . 1 1 105 105 ASN CB C 105 42.341 42.341 41.085 1.256 25538 8700 1 18 . 1 1 105 105 ASN H H 105 7.661 7.661 7.795 -0.134 25538 8701 1 18 . 1 1 106 106 LEU N N 106 118.656 118.656 117.290 1.366 25538 8702 1 18 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.913 -0.242 25538 8703 1 18 . 1 1 106 106 LEU C C 106 175.658 175.658 177.095 -1.437 25538 8704 1 18 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.699 0.459 25538 8705 1 18 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.435 1.175 25538 8706 1 18 . 1 1 106 106 LEU H H 106 7.440 7.440 8.015 -0.575 25538 8707 1 18 . 1 1 107 107 VAL N N 107 122.765 122.765 115.836 6.929 25538 8708 1 18 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.161 0.053 25538 8709 1 18 . 1 1 107 107 VAL C C 107 176.054 176.054 176.492 -0.438 25538 8710 1 18 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.891 -0.748 25538 8711 1 18 . 1 1 107 107 VAL CB C 107 33.556 33.556 32.194 1.362 25538 8712 1 18 . 1 1 107 107 VAL H H 107 8.158 8.158 7.918 0.240 25538 8713 1 18 . 1 1 108 108 THR N N 108 120.921 120.921 121.128 -0.207 25538 8714 1 18 . 1 1 108 108 THR HA H 108 4.332 4.332 4.256 0.076 25538 8715 1 18 . 1 1 108 108 THR C C 108 174.216 174.216 174.799 -0.583 25538 8716 1 18 . 1 1 108 108 THR CA C 108 62.726 62.726 64.236 -1.510 25538 8717 1 18 . 1 1 108 108 THR CB C 108 69.777 69.777 68.793 0.984 25538 8718 1 18 . 1 1 108 108 THR H H 108 8.524 8.524 8.218 0.306 25538 8719 1 18 . 1 1 109 109 LEU N N 109 125.518 125.518 127.810 -2.292 25538 8720 1 18 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.535 -0.180 25538 8721 1 18 . 1 1 109 109 LEU C C 109 176.523 176.523 175.924 0.599 25538 8722 1 18 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.185 0.862 25538 8723 1 18 . 1 1 109 109 LEU CB C 109 42.590 42.590 45.302 -2.712 25538 8724 1 18 . 1 1 109 109 LEU H H 109 8.312 8.312 8.124 0.188 25538 8725 1 18 . 1 1 110 110 ALA N N 110 125.099 125.099 124.542 0.557 25538 8726 1 18 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.843 -0.477 25538 8727 1 18 . 1 1 110 110 ALA C C 110 176.847 176.847 175.833 1.014 25538 8728 1 18 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.095 0.533 25538 8729 1 18 . 1 1 110 110 ALA CB C 110 19.706 19.706 20.406 -0.700 25538 8730 1 18 . 1 1 110 110 ALA H H 110 8.257 8.257 8.319 -0.062 25538 8731 1 19 . 1 1 24 24 ILE N N 24 120.669 120.669 122.400 -1.731 25538 8732 1 19 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.987 0.160 25538 8733 1 19 . 1 1 24 24 ILE C C 24 175.650 175.650 176.356 -0.706 25538 8734 1 19 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.337 -0.995 25538 8735 1 19 . 1 1 24 24 ILE CB C 24 38.977 38.977 38.180 0.797 25538 8736 1 19 . 1 1 24 24 ILE H H 24 8.122 8.122 8.542 -0.420 25538 8737 1 19 . 1 1 25 25 ASN N N 25 121.886 121.886 124.041 -2.155 25538 8738 1 19 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.746 -0.044 25538 8739 1 19 . 1 1 25 25 ASN C C 25 174.775 174.775 174.452 0.323 25538 8740 1 19 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.154 0.576 25538 8741 1 19 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.177 0.124 25538 8742 1 19 . 1 1 25 25 ASN H H 25 8.436 8.436 8.786 -0.350 25538 8743 1 19 . 1 1 26 26 GLN N N 26 118.706 118.706 118.227 0.479 25538 8744 1 19 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.543 0.039 25538 8745 1 19 . 1 1 26 26 GLN C C 26 175.291 175.291 173.741 1.550 25538 8746 1 19 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.348 0.292 25538 8747 1 19 . 1 1 26 26 GLN CB C 26 32.218 32.218 30.337 1.881 25538 8748 1 19 . 1 1 26 26 GLN H H 26 8.208 8.208 8.037 0.171 25538 8749 1 19 . 1 1 27 27 VAL N N 27 113.658 113.658 120.940 -7.282 25538 8750 1 19 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.330 0.546 25538 8751 1 19 . 1 1 27 27 VAL C C 27 173.900 173.900 173.954 -0.054 25538 8752 1 19 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.413 -2.297 25538 8753 1 19 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.721 1.293 25538 8754 1 19 . 1 1 27 27 VAL H H 27 9.401 9.401 8.361 1.040 25538 8755 1 19 . 1 1 28 28 ARG N N 28 121.535 121.535 123.299 -1.764 25538 8756 1 19 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.834 0.623 25538 8757 1 19 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.156 -0.584 25538 8758 1 19 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.451 1.201 25538 8759 1 19 . 1 1 28 28 ARG H H 28 8.904 8.904 8.390 0.514 25538 8760 1 19 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.743 0.266 25538 8761 1 19 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.308 0.632 25538 8762 1 19 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.341 -1.087 25538 8763 1 19 . 1 1 30 30 LYS N N 30 121.258 121.258 119.463 1.795 25538 8764 1 19 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.499 -0.298 25538 8765 1 19 . 1 1 30 30 LYS C C 30 177.557 177.557 177.113 0.444 25538 8766 1 19 . 1 1 30 30 LYS CA C 30 57.385 57.385 54.941 2.444 25538 8767 1 19 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.636 -0.786 25538 8768 1 19 . 1 1 30 30 LYS H H 30 8.477 8.477 7.886 0.591 25538 8769 1 19 . 1 1 31 31 LEU N N 31 121.577 121.577 125.367 -3.790 25538 8770 1 19 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.127 -0.065 25538 8771 1 19 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.053 1.143 25538 8772 1 19 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.279 -0.504 25538 8773 1 19 . 1 1 31 31 LEU H H 31 8.599 8.599 8.754 -0.155 25538 8774 1 19 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.228 -0.091 25538 8775 1 19 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.016 1.469 25538 8776 1 19 . 1 1 32 32 PRO CB C 32 31.586 31.586 30.890 0.696 25538 8777 1 19 . 1 1 33 33 LEU N N 33 113.299 113.299 118.164 -4.865 25538 8778 1 19 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.417 -0.442 25538 8779 1 19 . 1 1 33 33 LEU C C 33 177.726 177.726 177.582 0.144 25538 8780 1 19 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.140 1.000 25538 8781 1 19 . 1 1 33 33 LEU CB C 33 41.830 41.830 43.290 -1.460 25538 8782 1 19 . 1 1 33 33 LEU H H 33 6.610 6.610 7.524 -0.914 25538 8783 1 19 . 1 1 34 34 LEU N N 34 121.730 121.730 122.453 -0.723 25538 8784 1 19 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.797 -0.401 25538 8785 1 19 . 1 1 34 34 LEU C C 34 177.467 177.467 178.240 -0.773 25538 8786 1 19 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.563 -0.302 25538 8787 1 19 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.823 0.013 25538 8788 1 19 . 1 1 34 34 LEU H H 34 8.411 8.411 8.806 -0.395 25538 8789 1 19 . 1 1 35 35 LYS N N 35 114.927 114.927 117.083 -2.156 25538 8790 1 19 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.941 -0.137 25538 8791 1 19 . 1 1 35 35 LYS C C 35 180.207 180.207 179.118 1.089 25538 8792 1 19 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.516 1.625 25538 8793 1 19 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.700 0.869 25538 8794 1 19 . 1 1 35 35 LYS H H 35 7.964 7.964 8.154 -0.190 25538 8795 1 19 . 1 1 36 36 ILE N N 36 119.935 119.935 120.254 -0.319 25538 8796 1 19 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.516 -0.213 25538 8797 1 19 . 1 1 36 36 ILE C C 36 176.418 176.418 177.887 -1.469 25538 8798 1 19 . 1 1 36 36 ILE CA C 36 64.484 64.484 63.004 1.480 25538 8799 1 19 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.405 1.224 25538 8800 1 19 . 1 1 36 36 ILE H H 36 6.739 6.739 7.490 -0.751 25538 8801 1 19 . 1 1 37 37 LEU N N 37 116.682 116.682 120.735 -4.053 25538 8802 1 19 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.432 0.096 25538 8803 1 19 . 1 1 37 37 LEU C C 37 180.263 180.263 179.084 1.179 25538 8804 1 19 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.193 0.032 25538 8805 1 19 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.554 -1.412 25538 8806 1 19 . 1 1 37 37 LEU H H 37 7.633 7.633 7.814 -0.181 25538 8807 1 19 . 1 1 38 38 HIS N N 38 117.463 117.463 117.657 -0.194 25538 8808 1 19 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.176 0.506 25538 8809 1 19 . 1 1 38 38 HIS C C 38 179.936 179.936 177.911 2.025 25538 8810 1 19 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.892 -1.601 25538 8811 1 19 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.838 0.894 25538 8812 1 19 . 1 1 38 38 HIS H H 38 8.932 8.932 8.555 0.377 25538 8813 1 19 . 1 1 39 39 ALA N N 39 124.102 124.102 121.585 2.517 25538 8814 1 19 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.135 0.116 25538 8815 1 19 . 1 1 39 39 ALA C C 39 178.764 178.764 178.729 0.035 25538 8816 1 19 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.204 0.919 25538 8817 1 19 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.545 -0.434 25538 8818 1 19 . 1 1 39 39 ALA H H 39 7.951 7.951 8.082 -0.131 25538 8819 1 19 . 1 1 40 40 ALA N N 40 118.164 118.164 119.472 -1.308 25538 8820 1 19 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.343 0.078 25538 8821 1 19 . 1 1 40 40 ALA C C 40 176.261 176.261 178.048 -1.787 25538 8822 1 19 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.505 -1.369 25538 8823 1 19 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.471 1.641 25538 8824 1 19 . 1 1 40 40 ALA H H 40 7.647 7.647 8.175 -0.528 25538 8825 1 19 . 1 1 41 41 GLY N N 41 103.894 103.894 104.233 -0.339 25538 8826 1 19 . 1 1 41 41 GLY C C 41 174.412 174.412 174.359 0.053 25538 8827 1 19 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.514 0.340 25538 8828 1 19 . 1 1 41 41 GLY H H 41 7.677 7.677 7.731 -0.054 25538 8829 1 19 . 1 1 42 42 ALA N N 42 123.549 123.549 122.852 0.697 25538 8830 1 19 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.384 -0.754 25538 8831 1 19 . 1 1 42 42 ALA C C 42 175.956 175.956 175.152 0.804 25538 8832 1 19 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.695 0.985 25538 8833 1 19 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.432 -1.199 25538 8834 1 19 . 1 1 42 42 ALA H H 42 7.559 7.559 7.590 -0.031 25538 8835 1 19 . 1 1 43 43 GLN N N 43 117.516 117.516 117.537 -0.021 25538 8836 1 19 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.742 0.636 25538 8837 1 19 . 1 1 43 43 GLN C C 43 175.528 175.528 174.831 0.697 25538 8838 1 19 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.420 -0.801 25538 8839 1 19 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.166 1.030 25538 8840 1 19 . 1 1 43 43 GLN H H 43 8.531 8.531 8.368 0.163 25538 8841 1 19 . 1 1 44 44 GLY N N 44 108.084 108.084 112.457 -4.373 25538 8842 1 19 . 1 1 44 44 GLY C C 44 174.073 174.073 174.429 -0.356 25538 8843 1 19 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.685 -0.062 25538 8844 1 19 . 1 1 44 44 GLY H H 44 8.535 8.535 8.011 0.524 25538 8845 1 19 . 1 1 45 45 GLU N N 45 114.485 114.485 122.308 -7.823 25538 8846 1 19 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.950 0.660 25538 8847 1 19 . 1 1 45 45 GLU C C 45 174.007 174.007 174.665 -0.658 25538 8848 1 19 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.935 0.915 25538 8849 1 19 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.579 4.456 25538 8850 1 19 . 1 1 45 45 GLU H H 45 8.293 8.293 8.797 -0.504 25538 8851 1 19 . 1 1 46 46 MET N N 46 115.370 115.370 119.312 -3.942 25538 8852 1 19 . 1 1 46 46 MET HA H 46 5.047 5.047 4.305 0.742 25538 8853 1 19 . 1 1 46 46 MET C C 46 174.637 174.637 173.636 1.001 25538 8854 1 19 . 1 1 46 46 MET CA C 46 54.239 54.239 54.947 -0.708 25538 8855 1 19 . 1 1 46 46 MET CB C 46 35.727 35.727 34.788 0.939 25538 8856 1 19 . 1 1 46 46 MET H H 46 6.871 6.871 6.824 0.047 25538 8857 1 19 . 1 1 47 47 PHE N N 47 118.922 118.922 121.032 -2.110 25538 8858 1 19 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.899 0.205 25538 8859 1 19 . 1 1 47 47 PHE C C 47 175.742 175.742 174.831 0.911 25538 8860 1 19 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.609 2.756 25538 8861 1 19 . 1 1 47 47 PHE CB C 47 46.882 46.882 41.159 5.723 25538 8862 1 19 . 1 1 47 47 PHE H H 47 8.611 8.611 7.913 0.698 25538 8863 1 19 . 1 1 48 48 THR N N 48 110.603 110.603 112.795 -2.192 25538 8864 1 19 . 1 1 48 48 THR HA H 48 4.982 4.982 4.454 0.528 25538 8865 1 19 . 1 1 48 48 THR C C 48 176.666 176.666 175.960 0.706 25538 8866 1 19 . 1 1 48 48 THR CA C 48 61.021 61.021 60.624 0.397 25538 8867 1 19 . 1 1 48 48 THR CB C 48 71.136 71.136 70.786 0.350 25538 8868 1 19 . 1 1 48 48 THR H H 48 9.113 9.113 8.083 1.030 25538 8869 1 19 . 1 1 49 49 VAL N N 49 121.595 121.595 122.369 -0.774 25538 8870 1 19 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.693 -0.300 25538 8871 1 19 . 1 1 49 49 VAL C C 49 177.726 177.726 177.787 -0.061 25538 8872 1 19 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.454 1.755 25538 8873 1 19 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.806 -0.445 25538 8874 1 19 . 1 1 49 49 VAL H H 49 9.074 9.074 8.902 0.172 25538 8875 1 19 . 1 1 50 50 LYS N N 50 118.504 118.504 118.857 -0.353 25538 8876 1 19 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.049 -0.090 25538 8877 1 19 . 1 1 50 50 LYS C C 50 180.060 180.060 179.146 0.914 25538 8878 1 19 . 1 1 50 50 LYS CA C 50 59.920 59.920 60.022 -0.102 25538 8879 1 19 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.862 0.945 25538 8880 1 19 . 1 1 50 50 LYS H H 50 8.131 8.131 8.635 -0.504 25538 8881 1 19 . 1 1 51 51 GLU N N 51 119.547 119.547 119.392 0.155 25538 8882 1 19 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.119 -0.081 25538 8883 1 19 . 1 1 51 51 GLU C C 51 178.583 178.583 178.671 -0.088 25538 8884 1 19 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.716 1.140 25538 8885 1 19 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.573 1.829 25538 8886 1 19 . 1 1 51 51 GLU H H 51 7.882 7.882 7.809 0.073 25538 8887 1 19 . 1 1 52 52 VAL N N 52 119.078 119.078 121.312 -2.234 25538 8888 1 19 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.683 -0.429 25538 8889 1 19 . 1 1 52 52 VAL C C 52 177.546 177.546 178.602 -1.056 25538 8890 1 19 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.781 1.080 25538 8891 1 19 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.237 -0.006 25538 8892 1 19 . 1 1 52 52 VAL H H 52 8.258 8.258 8.836 -0.578 25538 8893 1 19 . 1 1 53 53 MET N N 53 114.606 114.606 116.498 -1.892 25538 8894 1 19 . 1 1 53 53 MET HA H 53 4.231 4.231 4.251 -0.020 25538 8895 1 19 . 1 1 53 53 MET C C 53 178.640 178.640 178.477 0.163 25538 8896 1 19 . 1 1 53 53 MET CA C 53 57.902 57.902 57.122 0.780 25538 8897 1 19 . 1 1 53 53 MET CB C 53 32.640 32.640 30.654 1.986 25538 8898 1 19 . 1 1 53 53 MET H H 53 8.201 8.201 8.561 -0.360 25538 8899 1 19 . 1 1 54 54 HIS N N 54 118.707 118.707 121.446 -2.739 25538 8900 1 19 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.105 0.041 25538 8901 1 19 . 1 1 54 54 HIS C C 54 178.531 178.531 177.365 1.166 25538 8902 1 19 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.940 -0.928 25538 8903 1 19 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.674 0.486 25538 8904 1 19 . 1 1 54 54 HIS H H 54 8.122 8.122 7.718 0.404 25538 8905 1 19 . 1 1 55 55 TYR N N 55 116.875 116.875 117.770 -0.895 25538 8906 1 19 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.082 -0.214 25538 8907 1 19 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.529 2.208 25538 8908 1 19 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.702 1.332 25538 8909 1 19 . 1 1 55 55 TYR H H 55 8.480 8.480 8.356 0.124 25538 8910 1 19 . 1 1 56 56 LEU N N 56 120.976 120.976 120.183 0.793 25538 8911 1 19 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.891 -0.060 25538 8912 1 19 . 1 1 56 56 LEU CA C 56 58.363 58.363 57.926 0.437 25538 8913 1 19 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.588 0.804 25538 8914 1 19 . 1 1 56 56 LEU H H 56 8.452 8.452 8.229 0.223 25538 8915 1 19 . 1 1 57 57 GLY N N 57 105.050 105.050 106.547 -1.497 25538 8916 1 19 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.378 -0.232 25538 8917 1 19 . 1 1 57 57 GLY H H 57 7.710 7.710 8.596 -0.886 25538 8918 1 19 . 1 1 58 58 GLN N N 58 119.017 119.017 121.713 -2.696 25538 8919 1 19 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.954 -0.127 25538 8920 1 19 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.339 0.339 25538 8921 1 19 . 1 1 58 58 GLN CB C 58 28.875 28.875 27.794 1.081 25538 8922 1 19 . 1 1 58 58 GLN H H 58 7.649 7.649 8.296 -0.647 25538 8923 1 19 . 1 1 59 59 TYR N N 59 120.995 120.995 122.048 -1.053 25538 8924 1 19 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.186 -0.382 25538 8925 1 19 . 1 1 59 59 TYR C C 59 176.215 176.215 177.313 -1.098 25538 8926 1 19 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.169 0.396 25538 8927 1 19 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.726 -0.123 25538 8928 1 19 . 1 1 59 59 TYR H H 59 8.500 8.500 8.000 0.500 25538 8929 1 19 . 1 1 60 60 ILE N N 60 116.781 116.781 120.234 -3.453 25538 8930 1 19 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.622 -0.347 25538 8931 1 19 . 1 1 60 60 ILE C C 60 177.952 177.952 178.268 -0.316 25538 8932 1 19 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.948 -0.279 25538 8933 1 19 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.848 0.710 25538 8934 1 19 . 1 1 60 60 ILE H H 60 7.612 7.612 8.447 -0.835 25538 8935 1 19 . 1 1 61 61 MET N N 61 115.626 115.626 118.232 -2.606 25538 8936 1 19 . 1 1 61 61 MET HA H 61 4.529 4.529 4.161 0.368 25538 8937 1 19 . 1 1 61 61 MET C C 61 180.579 180.579 178.334 2.245 25538 8938 1 19 . 1 1 61 61 MET CA C 61 57.662 57.662 58.511 -0.849 25538 8939 1 19 . 1 1 61 61 MET CB C 61 31.449 31.449 32.108 -0.659 25538 8940 1 19 . 1 1 61 61 MET H H 61 7.717 7.717 8.072 -0.355 25538 8941 1 19 . 1 1 62 62 VAL N N 62 120.907 120.907 119.033 1.874 25538 8942 1 19 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.692 0.137 25538 8943 1 19 . 1 1 62 62 VAL C C 62 178.786 178.786 177.963 0.823 25538 8944 1 19 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.385 0.616 25538 8945 1 19 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.783 0.200 25538 8946 1 19 . 1 1 62 62 VAL H H 62 9.021 9.021 8.138 0.883 25538 8947 1 19 . 1 1 63 63 LYS N N 63 116.704 116.704 118.537 -1.833 25538 8948 1 19 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.170 -0.113 25538 8949 1 19 . 1 1 63 63 LYS C C 63 174.784 174.784 176.000 -1.216 25538 8950 1 19 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.730 0.353 25538 8951 1 19 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.397 -1.065 25538 8952 1 19 . 1 1 63 63 LYS H H 63 7.824 7.824 8.008 -0.184 25538 8953 1 19 . 1 1 64 64 GLN N N 64 115.371 115.371 113.679 1.692 25538 8954 1 19 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.173 -0.552 25538 8955 1 19 . 1 1 64 64 GLN C C 64 175.550 175.550 175.607 -0.057 25538 8956 1 19 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.361 0.619 25538 8957 1 19 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.859 0.389 25538 8958 1 19 . 1 1 64 64 GLN H H 64 7.653 7.653 8.142 -0.489 25538 8959 1 19 . 1 1 65 65 LEU N N 65 115.332 115.332 120.524 -5.192 25538 8960 1 19 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.517 -0.082 25538 8961 1 19 . 1 1 65 65 LEU C C 65 175.979 175.979 175.523 0.456 25538 8962 1 19 . 1 1 65 65 LEU CA C 65 54.601 54.601 54.086 0.515 25538 8963 1 19 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.905 1.031 25538 8964 1 19 . 1 1 65 65 LEU H H 65 8.059 8.059 8.211 -0.152 25538 8965 1 19 . 1 1 66 66 TYR N N 66 113.240 113.240 114.603 -1.363 25538 8966 1 19 . 1 1 66 66 TYR HA H 66 5.260 5.260 4.920 0.340 25538 8967 1 19 . 1 1 66 66 TYR C C 66 174.107 174.107 173.742 0.365 25538 8968 1 19 . 1 1 66 66 TYR CA C 66 54.674 54.674 54.982 -0.308 25538 8969 1 19 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.826 -1.067 25538 8970 1 19 . 1 1 66 66 TYR H H 66 6.845 6.845 7.187 -0.342 25538 8971 1 19 . 1 1 67 67 ASP N N 67 122.255 122.255 121.021 1.234 25538 8972 1 19 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.857 -0.422 25538 8973 1 19 . 1 1 67 67 ASP C C 67 176.779 176.779 176.861 -0.082 25538 8974 1 19 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.966 0.820 25538 8975 1 19 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.877 -0.518 25538 8976 1 19 . 1 1 67 67 ASP H H 67 8.341 8.341 8.308 0.033 25538 8977 1 19 . 1 1 68 68 GLN N N 68 123.090 123.090 123.573 -0.483 25538 8978 1 19 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.170 -0.289 25538 8979 1 19 . 1 1 68 68 GLN C C 68 177.122 177.122 176.666 0.456 25538 8980 1 19 . 1 1 68 68 GLN CA C 68 58.889 58.889 58.056 0.833 25538 8981 1 19 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.647 0.418 25538 8982 1 19 . 1 1 68 68 GLN H H 68 8.552 8.552 8.680 -0.128 25538 8983 1 19 . 1 1 69 69 GLN N N 69 115.295 115.295 118.871 -3.576 25538 8984 1 19 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.429 -0.090 25538 8985 1 19 . 1 1 69 69 GLN C C 69 176.272 176.272 176.961 -0.689 25538 8986 1 19 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.742 0.193 25538 8987 1 19 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.376 -0.460 25538 8988 1 19 . 1 1 69 69 GLN H H 69 8.347 8.347 8.511 -0.164 25538 8989 1 19 . 1 1 70 70 GLU N N 70 122.341 122.341 121.725 0.616 25538 8990 1 19 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.396 0.095 25538 8991 1 19 . 1 1 70 70 GLU C C 70 175.832 175.832 176.378 -0.546 25538 8992 1 19 . 1 1 70 70 GLU CA C 70 55.086 55.086 54.908 0.178 25538 8993 1 19 . 1 1 70 70 GLU CB C 70 29.538 29.538 27.692 1.846 25538 8994 1 19 . 1 1 70 70 GLU H H 70 8.237 8.237 8.703 -0.466 25538 8995 1 19 . 1 1 71 71 GLN N N 71 119.185 119.185 118.690 0.495 25538 8996 1 19 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.314 0.187 25538 8997 1 19 . 1 1 71 71 GLN C C 71 173.848 173.848 176.199 -2.351 25538 8998 1 19 . 1 1 71 71 GLN CA C 71 59.800 59.800 57.984 1.816 25538 8999 1 19 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.889 -0.707 25538 9000 1 19 . 1 1 71 71 GLN H H 71 8.206 8.206 7.635 0.571 25538 9001 1 19 . 1 1 72 72 HIS N N 72 109.549 109.549 111.946 -2.397 25538 9002 1 19 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.535 -0.355 25538 9003 1 19 . 1 1 72 72 HIS C C 72 175.790 175.790 174.465 1.325 25538 9004 1 19 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.324 0.957 25538 9005 1 19 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.745 1.330 25538 9006 1 19 . 1 1 72 72 HIS H H 72 7.383 7.383 7.981 -0.598 25538 9007 1 19 . 1 1 73 73 MET N N 73 119.174 119.174 120.573 -1.399 25538 9008 1 19 . 1 1 73 73 MET HA H 73 4.570 4.570 4.658 -0.088 25538 9009 1 19 . 1 1 73 73 MET C C 73 174.242 174.242 173.889 0.353 25538 9010 1 19 . 1 1 73 73 MET CA C 73 53.027 53.027 53.982 -0.955 25538 9011 1 19 . 1 1 73 73 MET CB C 73 31.709 31.709 34.838 -3.129 25538 9012 1 19 . 1 1 73 73 MET H H 73 7.655 7.655 7.473 0.182 25538 9013 1 19 . 1 1 74 74 VAL N N 74 122.522 122.522 124.578 -2.056 25538 9014 1 19 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.258 -0.335 25538 9015 1 19 . 1 1 74 74 VAL C C 74 174.851 174.851 174.293 0.558 25538 9016 1 19 . 1 1 74 74 VAL CA C 74 61.394 61.394 60.984 0.410 25538 9017 1 19 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.939 -0.152 25538 9018 1 19 . 1 1 74 74 VAL H H 74 8.443 8.443 8.650 -0.207 25538 9019 1 19 . 1 1 75 75 TYR N N 75 125.773 125.773 124.450 1.323 25538 9020 1 19 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.092 -0.340 25538 9021 1 19 . 1 1 75 75 TYR C C 75 174.923 174.923 176.607 -1.684 25538 9022 1 19 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.559 1.253 25538 9023 1 19 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.423 0.210 25538 9024 1 19 . 1 1 75 75 TYR H H 75 8.256 8.256 9.010 -0.754 25538 9025 1 19 . 1 1 76 76 CYS N N 76 116.702 116.702 122.413 -5.711 25538 9026 1 19 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.727 0.020 25538 9027 1 19 . 1 1 76 76 CYS C C 76 174.231 174.231 176.652 -2.421 25538 9028 1 19 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.273 -3.170 25538 9029 1 19 . 1 1 76 76 CYS CB C 76 29.589 29.589 25.681 3.908 25538 9030 1 19 . 1 1 76 76 CYS H H 76 8.266 8.266 8.589 -0.323 25538 9031 1 19 . 1 1 77 77 GLY N N 77 111.675 111.675 110.359 1.316 25538 9032 1 19 . 1 1 77 77 GLY C C 77 174.662 174.662 174.747 -0.085 25538 9033 1 19 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.992 0.157 25538 9034 1 19 . 1 1 77 77 GLY H H 77 8.483 8.483 7.733 0.750 25538 9035 1 19 . 1 1 78 78 GLY N N 78 113.022 113.022 107.690 5.332 25538 9036 1 19 . 1 1 78 78 GLY C C 78 172.811 172.811 173.611 -0.800 25538 9037 1 19 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.169 1.583 25538 9038 1 19 . 1 1 78 78 GLY H H 78 8.892 8.892 8.051 0.841 25538 9039 1 19 . 1 1 79 79 ASP N N 79 119.457 119.457 121.513 -2.056 25538 9040 1 19 . 1 1 79 79 ASP HA H 79 4.892 4.892 5.025 -0.133 25538 9041 1 19 . 1 1 79 79 ASP C C 79 176.302 176.302 176.963 -0.661 25538 9042 1 19 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.670 -0.623 25538 9043 1 19 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.348 3.923 25538 9044 1 19 . 1 1 79 79 ASP H H 79 7.795 7.795 7.962 -0.167 25538 9045 1 19 . 1 1 80 80 LEU N N 80 128.421 128.421 123.233 5.188 25538 9046 1 19 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.071 -0.007 25538 9047 1 19 . 1 1 80 80 LEU C C 80 179.059 179.059 178.908 0.151 25538 9048 1 19 . 1 1 80 80 LEU CA C 80 58.523 58.523 58.064 0.459 25538 9049 1 19 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.106 0.541 25538 9050 1 19 . 1 1 80 80 LEU H H 80 8.549 8.549 8.918 -0.369 25538 9051 1 19 . 1 1 81 81 LEU N N 81 118.678 118.678 119.869 -1.191 25538 9052 1 19 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.094 -0.227 25538 9053 1 19 . 1 1 81 81 LEU C C 81 178.542 178.542 178.829 -0.287 25538 9054 1 19 . 1 1 81 81 LEU CA C 81 58.526 58.526 57.943 0.583 25538 9055 1 19 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.205 1.444 25538 9056 1 19 . 1 1 81 81 LEU H H 81 9.974 9.974 8.320 1.654 25538 9057 1 19 . 1 1 82 82 GLY N N 82 105.642 105.642 106.366 -0.724 25538 9058 1 19 . 1 1 82 82 GLY C C 82 176.907 176.907 176.443 0.464 25538 9059 1 19 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.155 0.838 25538 9060 1 19 . 1 1 82 82 GLY H H 82 7.543 7.543 8.011 -0.468 25538 9061 1 19 . 1 1 83 83 GLU N N 83 121.762 121.762 122.773 -1.011 25538 9062 1 19 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.072 -0.090 25538 9063 1 19 . 1 1 83 83 GLU C C 83 179.215 179.215 179.324 -0.109 25538 9064 1 19 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.348 -0.187 25538 9065 1 19 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.505 -0.034 25538 9066 1 19 . 1 1 83 83 GLU H H 83 7.537 7.537 8.203 -0.666 25538 9067 1 19 . 1 1 84 84 LEU N N 84 118.478 118.478 118.050 0.428 25538 9068 1 19 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.144 -0.120 25538 9069 1 19 . 1 1 84 84 LEU C C 84 178.842 178.842 178.648 0.194 25538 9070 1 19 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.809 0.666 25538 9071 1 19 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.952 0.440 25538 9072 1 19 . 1 1 84 84 LEU H H 84 7.717 7.717 8.300 -0.583 25538 9073 1 19 . 1 1 85 85 LEU N N 85 115.268 115.268 113.934 1.334 25538 9074 1 19 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.240 -0.463 25538 9075 1 19 . 1 1 85 85 LEU C C 85 177.773 177.773 177.805 -0.032 25538 9076 1 19 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.277 0.098 25538 9077 1 19 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.799 1.094 25538 9078 1 19 . 1 1 85 85 LEU H H 85 8.091 8.091 7.959 0.132 25538 9079 1 19 . 1 1 86 86 GLY N N 86 107.339 107.339 106.432 0.907 25538 9080 1 19 . 1 1 86 86 GLY C C 86 174.143 174.143 174.305 -0.162 25538 9081 1 19 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.930 1.385 25538 9082 1 19 . 1 1 86 86 GLY H H 86 7.993 7.993 8.055 -0.062 25538 9083 1 19 . 1 1 87 87 ARG N N 87 113.292 113.292 119.877 -6.585 25538 9084 1 19 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.620 0.034 25538 9085 1 19 . 1 1 87 87 ARG C C 87 174.720 174.720 175.386 -0.666 25538 9086 1 19 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.168 -1.008 25538 9087 1 19 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.555 1.901 25538 9088 1 19 . 1 1 87 87 ARG H H 87 7.407 7.407 7.533 -0.126 25538 9089 1 19 . 1 1 88 88 GLN N N 88 116.042 116.042 123.252 -7.210 25538 9090 1 19 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.371 -0.325 25538 9091 1 19 . 1 1 88 88 GLN C C 88 175.946 175.946 174.563 1.383 25538 9092 1 19 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.248 -0.073 25538 9093 1 19 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.449 0.341 25538 9094 1 19 . 1 1 88 88 GLN H H 88 8.660 8.660 8.720 -0.060 25538 9095 1 19 . 1 1 89 89 SER N N 89 110.533 110.533 110.429 0.104 25538 9096 1 19 . 1 1 89 89 SER HA H 89 5.431 5.431 4.832 0.599 25538 9097 1 19 . 1 1 89 89 SER C C 89 173.062 173.062 173.175 -0.113 25538 9098 1 19 . 1 1 89 89 SER CA C 89 57.019 57.019 56.681 0.339 25538 9099 1 19 . 1 1 89 89 SER CB C 89 66.577 66.577 65.883 0.694 25538 9100 1 19 . 1 1 89 89 SER H H 89 7.620 7.620 7.433 0.187 25538 9101 1 19 . 1 1 90 90 PHE N N 90 115.219 115.219 118.013 -2.794 25538 9102 1 19 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.876 -0.181 25538 9103 1 19 . 1 1 90 90 PHE C C 90 175.233 175.233 172.788 2.445 25538 9104 1 19 . 1 1 90 90 PHE CA C 90 57.095 57.095 57.319 -0.223 25538 9105 1 19 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.165 0.181 25538 9106 1 19 . 1 1 90 90 PHE H H 90 8.557 8.557 7.794 0.763 25538 9107 1 19 . 1 1 91 91 SER N N 91 113.681 113.681 113.737 -0.056 25538 9108 1 19 . 1 1 91 91 SER HA H 91 5.391 5.391 5.063 0.328 25538 9109 1 19 . 1 1 91 91 SER CA C 91 54.564 54.564 56.017 -1.453 25538 9110 1 19 . 1 1 91 91 SER CB C 91 65.366 65.366 67.184 -1.818 25538 9111 1 19 . 1 1 91 91 SER H H 91 9.006 9.006 8.166 0.840 25538 9112 1 19 . 1 1 92 92 VAL N N 92 121.388 121.388 119.746 1.642 25538 9113 1 19 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.957 -0.014 25538 9114 1 19 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.371 -0.176 25538 9115 1 19 . 1 1 92 92 VAL CB C 92 31.231 31.231 32.239 -1.008 25538 9116 1 19 . 1 1 92 92 VAL H H 92 8.983 8.983 8.707 0.276 25538 9117 1 19 . 1 1 93 93 LYS N N 93 116.161 116.161 119.287 -3.126 25538 9118 1 19 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.209 -0.226 25538 9119 1 19 . 1 1 93 93 LYS C C 93 177.088 177.088 176.405 0.683 25538 9120 1 19 . 1 1 93 93 LYS CA C 93 57.181 57.181 57.243 -0.062 25538 9121 1 19 . 1 1 93 93 LYS CB C 93 32.124 32.124 33.422 -1.298 25538 9122 1 19 . 1 1 93 93 LYS H H 93 8.078 8.078 7.629 0.449 25538 9123 1 19 . 1 1 94 94 ASP N N 94 115.406 115.406 118.623 -3.217 25538 9124 1 19 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.040 -0.091 25538 9125 1 19 . 1 1 94 94 ASP CA C 94 51.557 51.557 50.971 0.586 25538 9126 1 19 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.672 -0.227 25538 9127 1 19 . 1 1 94 94 ASP H H 94 7.385 7.385 8.015 -0.630 25538 9128 1 19 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.709 -0.272 25538 9129 1 19 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.060 0.829 25538 9130 1 19 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.555 1.205 25538 9131 1 19 . 1 1 96 96 SER N N 96 118.819 118.819 117.776 1.043 25538 9132 1 19 . 1 1 96 96 SER HA H 96 4.220 4.220 4.040 0.180 25538 9133 1 19 . 1 1 96 96 SER CA C 96 64.406 64.406 64.491 -0.085 25538 9134 1 19 . 1 1 96 96 SER CB C 96 61.862 61.862 60.939 0.923 25538 9135 1 19 . 1 1 96 96 SER H H 96 8.104 8.104 7.993 0.111 25538 9136 1 19 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.304 0.045 25538 9137 1 19 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.346 0.565 25538 9138 1 19 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.322 0.173 25538 9139 1 19 . 1 1 98 98 LEU N N 98 118.063 118.063 120.836 -2.773 25538 9140 1 19 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.807 -0.204 25538 9141 1 19 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.521 -0.420 25538 9142 1 19 . 1 1 98 98 LEU CB C 98 41.396 41.396 40.870 0.526 25538 9143 1 19 . 1 1 98 98 LEU H H 98 7.087 7.087 7.346 -0.259 25538 9144 1 19 . 1 1 99 99 TYR N N 99 118.063 118.063 118.441 -0.378 25538 9145 1 19 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.096 0.048 25538 9146 1 19 . 1 1 99 99 TYR C C 99 178.914 178.914 178.374 0.540 25538 9147 1 19 . 1 1 99 99 TYR CA C 99 61.268 61.268 59.412 1.856 25538 9148 1 19 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.141 -0.173 25538 9149 1 19 . 1 1 99 99 TYR H H 99 7.594 7.594 8.999 -1.405 25538 9150 1 19 . 1 1 100 100 ASP N N 100 119.682 119.682 119.754 -0.072 25538 9151 1 19 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.312 0.014 25538 9152 1 19 . 1 1 100 100 ASP C C 100 177.737 177.737 178.303 -0.566 25538 9153 1 19 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.334 0.541 25538 9154 1 19 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.888 0.200 25538 9155 1 19 . 1 1 100 100 ASP H H 100 8.315 8.315 8.060 0.255 25538 9156 1 19 . 1 1 101 101 MET N N 101 118.784 118.784 118.713 0.071 25538 9157 1 19 . 1 1 101 101 MET HA H 101 3.969 3.969 4.094 -0.125 25538 9158 1 19 . 1 1 101 101 MET C C 101 180.080 180.080 177.963 2.117 25538 9159 1 19 . 1 1 101 101 MET CA C 101 59.420 59.420 58.672 0.748 25538 9160 1 19 . 1 1 101 101 MET CB C 101 31.642 31.642 32.259 -0.617 25538 9161 1 19 . 1 1 101 101 MET H H 101 7.245 7.245 7.799 -0.554 25538 9162 1 19 . 1 1 102 102 LEU N N 102 121.572 121.572 120.155 1.417 25538 9163 1 19 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.880 -0.179 25538 9164 1 19 . 1 1 102 102 LEU C C 102 178.566 178.566 179.662 -1.096 25538 9165 1 19 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.623 1.121 25538 9166 1 19 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.306 0.140 25538 9167 1 19 . 1 1 102 102 LEU H H 102 8.471 8.471 8.213 0.258 25538 9168 1 19 . 1 1 103 103 ARG N N 103 117.180 117.180 115.542 1.638 25538 9169 1 19 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.078 -0.108 25538 9170 1 19 . 1 1 103 103 ARG C C 103 178.818 178.818 177.331 1.487 25538 9171 1 19 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.521 0.982 25538 9172 1 19 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.160 0.056 25538 9173 1 19 . 1 1 103 103 ARG H H 103 7.933 7.933 7.952 -0.019 25538 9174 1 19 . 1 1 104 104 LYS N N 104 114.206 114.206 116.559 -2.353 25538 9175 1 19 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.392 -0.176 25538 9176 1 19 . 1 1 104 104 LYS C C 104 177.556 177.556 176.833 0.723 25538 9177 1 19 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.471 0.282 25538 9178 1 19 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.874 1.226 25538 9179 1 19 . 1 1 104 104 LYS H H 104 7.171 7.171 7.448 -0.277 25538 9180 1 19 . 1 1 105 105 ASN N N 105 114.097 114.097 117.748 -3.651 25538 9181 1 19 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.883 -0.152 25538 9182 1 19 . 1 1 105 105 ASN C C 105 172.822 172.822 175.404 -2.582 25538 9183 1 19 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.630 0.213 25538 9184 1 19 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.395 1.946 25538 9185 1 19 . 1 1 105 105 ASN H H 105 7.661 7.661 7.794 -0.133 25538 9186 1 19 . 1 1 106 106 LEU N N 106 118.656 118.656 116.585 2.071 25538 9187 1 19 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.822 -0.151 25538 9188 1 19 . 1 1 106 106 LEU C C 106 175.658 175.658 178.521 -2.863 25538 9189 1 19 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.983 0.175 25538 9190 1 19 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.449 1.161 25538 9191 1 19 . 1 1 106 106 LEU H H 106 7.440 7.440 7.826 -0.386 25538 9192 1 19 . 1 1 107 107 VAL N N 107 122.765 122.765 117.701 5.064 25538 9193 1 19 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.205 0.009 25538 9194 1 19 . 1 1 107 107 VAL C C 107 176.054 176.054 175.519 0.535 25538 9195 1 19 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.165 -0.022 25538 9196 1 19 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.815 3.741 25538 9197 1 19 . 1 1 107 107 VAL H H 107 8.158 8.158 8.082 0.076 25538 9198 1 19 . 1 1 108 108 THR N N 108 120.921 120.921 113.676 7.245 25538 9199 1 19 . 1 1 108 108 THR HA H 108 4.332 4.332 3.922 0.410 25538 9200 1 19 . 1 1 108 108 THR C C 108 174.216 174.216 173.728 0.488 25538 9201 1 19 . 1 1 108 108 THR CA C 108 62.726 62.726 63.267 -0.541 25538 9202 1 19 . 1 1 108 108 THR CB C 108 69.777 69.777 67.893 1.884 25538 9203 1 19 . 1 1 108 108 THR H H 108 8.524 8.524 8.063 0.461 25538 9204 1 19 . 1 1 109 109 LEU N N 109 125.518 125.518 121.139 4.379 25538 9205 1 19 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.271 0.084 25538 9206 1 19 . 1 1 109 109 LEU C C 109 176.523 176.523 175.912 0.611 25538 9207 1 19 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.695 0.352 25538 9208 1 19 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.462 0.128 25538 9209 1 19 . 1 1 109 109 LEU H H 109 8.312 8.312 7.852 0.460 25538 9210 1 19 . 1 1 110 110 ALA N N 110 125.099 125.099 126.176 -1.077 25538 9211 1 19 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.585 -0.219 25538 9212 1 19 . 1 1 110 110 ALA C C 110 176.847 176.847 175.821 1.026 25538 9213 1 19 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.731 0.897 25538 9214 1 19 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.130 -1.424 25538 9215 1 19 . 1 1 110 110 ALA H H 110 8.257 8.257 8.100 0.157 25538 9216 1 20 . 1 1 24 24 ILE N N 24 120.669 120.669 122.118 -1.449 25538 9217 1 20 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.959 0.188 25538 9218 1 20 . 1 1 24 24 ILE C C 24 175.650 175.650 176.609 -0.959 25538 9219 1 20 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.470 -1.128 25538 9220 1 20 . 1 1 24 24 ILE CB C 24 38.977 38.977 38.053 0.924 25538 9221 1 20 . 1 1 24 24 ILE H H 24 8.122 8.122 8.503 -0.381 25538 9222 1 20 . 1 1 25 25 ASN N N 25 121.886 121.886 124.012 -2.126 25538 9223 1 20 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.772 -0.070 25538 9224 1 20 . 1 1 25 25 ASN C C 25 174.775 174.775 174.329 0.446 25538 9225 1 20 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.101 0.629 25538 9226 1 20 . 1 1 25 25 ASN CB C 25 39.301 39.301 39.334 -0.033 25538 9227 1 20 . 1 1 25 25 ASN H H 25 8.436 8.436 8.806 -0.370 25538 9228 1 20 . 1 1 26 26 GLN N N 26 118.706 118.706 118.444 0.262 25538 9229 1 20 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.537 0.045 25538 9230 1 20 . 1 1 26 26 GLN C C 26 175.291 175.291 173.798 1.493 25538 9231 1 20 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.311 0.329 25538 9232 1 20 . 1 1 26 26 GLN CB C 26 32.218 32.218 30.831 1.387 25538 9233 1 20 . 1 1 26 26 GLN H H 26 8.208 8.208 8.020 0.188 25538 9234 1 20 . 1 1 27 27 VAL N N 27 113.658 113.658 119.906 -6.248 25538 9235 1 20 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.257 0.619 25538 9236 1 20 . 1 1 27 27 VAL C C 27 173.900 173.900 174.060 -0.160 25538 9237 1 20 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.294 -2.178 25538 9238 1 20 . 1 1 27 27 VAL CB C 27 36.014 36.014 35.295 0.719 25538 9239 1 20 . 1 1 27 27 VAL H H 27 9.401 9.401 8.346 1.055 25538 9240 1 20 . 1 1 28 28 ARG N N 28 121.535 121.535 121.958 -0.423 25538 9241 1 20 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.833 0.624 25538 9242 1 20 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.904 -0.333 25538 9243 1 20 . 1 1 28 28 ARG CB C 28 33.652 33.652 31.706 1.946 25538 9244 1 20 . 1 1 28 28 ARG H H 28 8.904 8.904 8.376 0.528 25538 9245 1 20 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.741 0.268 25538 9246 1 20 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.518 0.422 25538 9247 1 20 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.109 -0.855 25538 9248 1 20 . 1 1 30 30 LYS N N 30 121.258 121.258 119.356 1.902 25538 9249 1 20 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.392 -0.191 25538 9250 1 20 . 1 1 30 30 LYS C C 30 177.557 177.557 178.028 -0.471 25538 9251 1 20 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.439 1.946 25538 9252 1 20 . 1 1 30 30 LYS CB C 30 33.850 33.850 33.402 0.448 25538 9253 1 20 . 1 1 30 30 LYS H H 30 8.477 8.477 8.263 0.214 25538 9254 1 20 . 1 1 31 31 LEU N N 31 121.577 121.577 127.191 -5.614 25538 9255 1 20 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.227 -0.165 25538 9256 1 20 . 1 1 31 31 LEU CA C 31 60.196 60.196 58.881 1.315 25538 9257 1 20 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.270 -0.495 25538 9258 1 20 . 1 1 31 31 LEU H H 31 8.599 8.599 8.906 -0.307 25538 9259 1 20 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.259 -0.122 25538 9260 1 20 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.552 0.933 25538 9261 1 20 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.200 0.386 25538 9262 1 20 . 1 1 33 33 LEU N N 33 113.299 113.299 118.523 -5.224 25538 9263 1 20 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.239 -0.264 25538 9264 1 20 . 1 1 33 33 LEU C C 33 177.726 177.726 178.443 -0.717 25538 9265 1 20 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.665 -0.525 25538 9266 1 20 . 1 1 33 33 LEU CB C 33 41.830 41.830 41.620 0.210 25538 9267 1 20 . 1 1 33 33 LEU H H 33 6.610 6.610 7.579 -0.969 25538 9268 1 20 . 1 1 34 34 LEU N N 34 121.730 121.730 122.100 -0.370 25538 9269 1 20 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.855 -0.459 25538 9270 1 20 . 1 1 34 34 LEU C C 34 177.467 177.467 178.227 -0.760 25538 9271 1 20 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.812 -0.551 25538 9272 1 20 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.748 0.087 25538 9273 1 20 . 1 1 34 34 LEU H H 34 8.411 8.411 8.929 -0.518 25538 9274 1 20 . 1 1 35 35 LYS N N 35 114.927 114.927 117.153 -2.226 25538 9275 1 20 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.949 -0.145 25538 9276 1 20 . 1 1 35 35 LYS C C 35 180.207 180.207 179.122 1.085 25538 9277 1 20 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.370 1.770 25538 9278 1 20 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.441 1.128 25538 9279 1 20 . 1 1 35 35 LYS H H 35 7.964 7.964 7.676 0.288 25538 9280 1 20 . 1 1 36 36 ILE N N 36 119.935 119.935 120.250 -0.315 25538 9281 1 20 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.648 -0.345 25538 9282 1 20 . 1 1 36 36 ILE C C 36 176.418 176.418 177.995 -1.577 25538 9283 1 20 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.639 1.845 25538 9284 1 20 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.374 1.254 25538 9285 1 20 . 1 1 36 36 ILE H H 36 6.739 6.739 7.181 -0.442 25538 9286 1 20 . 1 1 37 37 LEU N N 37 116.682 116.682 120.793 -4.111 25538 9287 1 20 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.411 0.117 25538 9288 1 20 . 1 1 37 37 LEU C C 37 180.263 180.263 179.030 1.233 25538 9289 1 20 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.339 -0.114 25538 9290 1 20 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.738 -1.596 25538 9291 1 20 . 1 1 37 37 LEU H H 37 7.633 7.633 8.199 -0.566 25538 9292 1 20 . 1 1 38 38 HIS N N 38 117.463 117.463 117.523 -0.060 25538 9293 1 20 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.236 0.446 25538 9294 1 20 . 1 1 38 38 HIS C C 38 179.936 179.936 177.907 2.029 25538 9295 1 20 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.939 -1.648 25538 9296 1 20 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.904 0.828 25538 9297 1 20 . 1 1 38 38 HIS H H 38 8.932 8.932 8.623 0.309 25538 9298 1 20 . 1 1 39 39 ALA N N 39 124.102 124.102 121.852 2.250 25538 9299 1 20 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.126 0.125 25538 9300 1 20 . 1 1 39 39 ALA C C 39 178.764 178.764 178.692 0.072 25538 9301 1 20 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.216 0.907 25538 9302 1 20 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.504 -0.393 25538 9303 1 20 . 1 1 39 39 ALA H H 39 7.951 7.951 8.163 -0.212 25538 9304 1 20 . 1 1 40 40 ALA N N 40 118.164 118.164 118.684 -0.520 25538 9305 1 20 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.330 0.091 25538 9306 1 20 . 1 1 40 40 ALA C C 40 176.261 176.261 178.060 -1.799 25538 9307 1 20 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.473 -1.337 25538 9308 1 20 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.606 1.506 25538 9309 1 20 . 1 1 40 40 ALA H H 40 7.647 7.647 8.074 -0.427 25538 9310 1 20 . 1 1 41 41 GLY N N 41 103.894 103.894 104.439 -0.545 25538 9311 1 20 . 1 1 41 41 GLY C C 41 174.412 174.412 174.405 0.007 25538 9312 1 20 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.495 0.359 25538 9313 1 20 . 1 1 41 41 GLY H H 41 7.677 7.677 7.713 -0.036 25538 9314 1 20 . 1 1 42 42 ALA N N 42 123.549 123.549 123.094 0.455 25538 9315 1 20 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.308 -0.678 25538 9316 1 20 . 1 1 42 42 ALA C C 42 175.956 175.956 175.273 0.683 25538 9317 1 20 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.682 0.998 25538 9318 1 20 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.192 -0.959 25538 9319 1 20 . 1 1 42 42 ALA H H 42 7.559 7.559 7.554 0.005 25538 9320 1 20 . 1 1 43 43 GLN N N 43 117.516 117.516 117.937 -0.421 25538 9321 1 20 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.536 0.842 25538 9322 1 20 . 1 1 43 43 GLN C C 43 175.528 175.528 174.917 0.611 25538 9323 1 20 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.581 -0.962 25538 9324 1 20 . 1 1 43 43 GLN CB C 43 32.196 32.196 31.083 1.113 25538 9325 1 20 . 1 1 43 43 GLN H H 43 8.531 8.531 8.290 0.241 25538 9326 1 20 . 1 1 44 44 GLY N N 44 108.084 108.084 112.688 -4.604 25538 9327 1 20 . 1 1 44 44 GLY C C 44 174.073 174.073 174.451 -0.378 25538 9328 1 20 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.682 -0.059 25538 9329 1 20 . 1 1 44 44 GLY H H 44 8.535 8.535 8.089 0.446 25538 9330 1 20 . 1 1 45 45 GLU N N 45 114.485 114.485 122.600 -8.115 25538 9331 1 20 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.757 0.853 25538 9332 1 20 . 1 1 45 45 GLU C C 45 174.007 174.007 174.651 -0.644 25538 9333 1 20 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.820 1.030 25538 9334 1 20 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.316 4.719 25538 9335 1 20 . 1 1 45 45 GLU H H 45 8.293 8.293 8.836 -0.543 25538 9336 1 20 . 1 1 46 46 MET N N 46 115.370 115.370 120.113 -4.743 25538 9337 1 20 . 1 1 46 46 MET HA H 46 5.047 5.047 4.452 0.595 25538 9338 1 20 . 1 1 46 46 MET C C 46 174.637 174.637 173.399 1.238 25538 9339 1 20 . 1 1 46 46 MET CA C 46 54.239 54.239 55.237 -0.999 25538 9340 1 20 . 1 1 46 46 MET CB C 46 35.727 35.727 33.758 1.969 25538 9341 1 20 . 1 1 46 46 MET H H 46 6.871 6.871 6.930 -0.059 25538 9342 1 20 . 1 1 47 47 PHE N N 47 118.922 118.922 121.089 -2.167 25538 9343 1 20 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.952 0.152 25538 9344 1 20 . 1 1 47 47 PHE C C 47 175.742 175.742 174.357 1.385 25538 9345 1 20 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.596 2.769 25538 9346 1 20 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.740 6.142 25538 9347 1 20 . 1 1 47 47 PHE H H 47 8.611 8.611 7.470 1.141 25538 9348 1 20 . 1 1 48 48 THR N N 48 110.603 110.603 111.777 -1.174 25538 9349 1 20 . 1 1 48 48 THR HA H 48 4.982 4.982 4.490 0.492 25538 9350 1 20 . 1 1 48 48 THR C C 48 176.666 176.666 176.486 0.180 25538 9351 1 20 . 1 1 48 48 THR CA C 48 61.021 61.021 60.288 0.733 25538 9352 1 20 . 1 1 48 48 THR CB C 48 71.136 71.136 70.249 0.887 25538 9353 1 20 . 1 1 48 48 THR H H 48 9.113 9.113 8.090 1.023 25538 9354 1 20 . 1 1 49 49 VAL N N 49 121.595 121.595 118.851 2.744 25538 9355 1 20 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.692 -0.299 25538 9356 1 20 . 1 1 49 49 VAL C C 49 177.726 177.726 177.626 0.100 25538 9357 1 20 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.440 1.769 25538 9358 1 20 . 1 1 49 49 VAL CB C 49 31.361 31.361 30.851 0.510 25538 9359 1 20 . 1 1 49 49 VAL H H 49 9.074 9.074 8.845 0.229 25538 9360 1 20 . 1 1 50 50 LYS N N 50 118.504 118.504 120.095 -1.591 25538 9361 1 20 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.009 -0.050 25538 9362 1 20 . 1 1 50 50 LYS C C 50 180.060 180.060 178.891 1.169 25538 9363 1 20 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.954 -0.034 25538 9364 1 20 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.777 1.030 25538 9365 1 20 . 1 1 50 50 LYS H H 50 8.131 8.131 8.270 -0.139 25538 9366 1 20 . 1 1 51 51 GLU N N 51 119.547 119.547 119.307 0.240 25538 9367 1 20 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.190 -0.152 25538 9368 1 20 . 1 1 51 51 GLU C C 51 178.583 178.583 178.849 -0.266 25538 9369 1 20 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.413 1.444 25538 9370 1 20 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.699 1.703 25538 9371 1 20 . 1 1 51 51 GLU H H 51 7.882 7.882 7.789 0.093 25538 9372 1 20 . 1 1 52 52 VAL N N 52 119.078 119.078 121.512 -2.434 25538 9373 1 20 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.629 -0.375 25538 9374 1 20 . 1 1 52 52 VAL C C 52 177.546 177.546 178.447 -0.901 25538 9375 1 20 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.886 0.975 25538 9376 1 20 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.737 -0.506 25538 9377 1 20 . 1 1 52 52 VAL H H 52 8.258 8.258 8.778 -0.520 25538 9378 1 20 . 1 1 53 53 MET N N 53 114.606 114.606 116.734 -2.128 25538 9379 1 20 . 1 1 53 53 MET HA H 53 4.231 4.231 4.152 0.079 25538 9380 1 20 . 1 1 53 53 MET C C 53 178.640 178.640 178.450 0.190 25538 9381 1 20 . 1 1 53 53 MET CA C 53 57.902 57.902 56.808 1.094 25538 9382 1 20 . 1 1 53 53 MET CB C 53 32.640 32.640 30.672 1.968 25538 9383 1 20 . 1 1 53 53 MET H H 53 8.201 8.201 8.473 -0.272 25538 9384 1 20 . 1 1 54 54 HIS N N 54 118.707 118.707 120.909 -2.202 25538 9385 1 20 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.096 0.050 25538 9386 1 20 . 1 1 54 54 HIS C C 54 178.531 178.531 177.417 1.114 25538 9387 1 20 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.790 -0.778 25538 9388 1 20 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.689 0.471 25538 9389 1 20 . 1 1 54 54 HIS H H 54 8.122 8.122 7.661 0.461 25538 9390 1 20 . 1 1 55 55 TYR N N 55 116.875 116.875 117.776 -0.901 25538 9391 1 20 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.073 -0.205 25538 9392 1 20 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.709 2.029 25538 9393 1 20 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.753 1.281 25538 9394 1 20 . 1 1 55 55 TYR H H 55 8.480 8.480 8.481 -0.001 25538 9395 1 20 . 1 1 56 56 LEU N N 56 120.976 120.976 120.358 0.618 25538 9396 1 20 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.969 -0.138 25538 9397 1 20 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.258 0.104 25538 9398 1 20 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.514 0.878 25538 9399 1 20 . 1 1 56 56 LEU H H 56 8.452 8.452 8.519 -0.067 25538 9400 1 20 . 1 1 57 57 GLY N N 57 105.050 105.050 106.445 -1.395 25538 9401 1 20 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.466 -0.320 25538 9402 1 20 . 1 1 57 57 GLY H H 57 7.710 7.710 8.653 -0.943 25538 9403 1 20 . 1 1 58 58 GLN N N 58 119.017 119.017 121.927 -2.910 25538 9404 1 20 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.953 -0.126 25538 9405 1 20 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.262 0.416 25538 9406 1 20 . 1 1 58 58 GLN CB C 58 28.875 28.875 27.590 1.285 25538 9407 1 20 . 1 1 58 58 GLN H H 58 7.649 7.649 8.234 -0.585 25538 9408 1 20 . 1 1 59 59 TYR N N 59 120.995 120.995 121.794 -0.799 25538 9409 1 20 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.161 -0.357 25538 9410 1 20 . 1 1 59 59 TYR C C 59 176.215 176.215 177.308 -1.093 25538 9411 1 20 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.068 0.497 25538 9412 1 20 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.684 -0.080 25538 9413 1 20 . 1 1 59 59 TYR H H 59 8.500 8.500 8.099 0.401 25538 9414 1 20 . 1 1 60 60 ILE N N 60 116.781 116.781 120.160 -3.379 25538 9415 1 20 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.614 -0.339 25538 9416 1 20 . 1 1 60 60 ILE C C 60 177.952 177.952 178.179 -0.227 25538 9417 1 20 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.948 -0.278 25538 9418 1 20 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.942 0.616 25538 9419 1 20 . 1 1 60 60 ILE H H 60 7.612 7.612 8.657 -1.045 25538 9420 1 20 . 1 1 61 61 MET N N 61 115.626 115.626 117.967 -2.341 25538 9421 1 20 . 1 1 61 61 MET HA H 61 4.529 4.529 4.175 0.354 25538 9422 1 20 . 1 1 61 61 MET C C 61 180.579 180.579 178.802 1.777 25538 9423 1 20 . 1 1 61 61 MET CA C 61 57.662 57.662 57.570 0.092 25538 9424 1 20 . 1 1 61 61 MET CB C 61 31.449 31.449 31.339 0.110 25538 9425 1 20 . 1 1 61 61 MET H H 61 7.717 7.717 8.050 -0.333 25538 9426 1 20 . 1 1 62 62 VAL N N 62 120.907 120.907 118.702 2.205 25538 9427 1 20 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.799 0.030 25538 9428 1 20 . 1 1 62 62 VAL C C 62 178.786 178.786 178.030 0.756 25538 9429 1 20 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.492 0.509 25538 9430 1 20 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.698 0.285 25538 9431 1 20 . 1 1 62 62 VAL H H 62 9.021 9.021 8.190 0.831 25538 9432 1 20 . 1 1 63 63 LYS N N 63 116.704 116.704 118.055 -1.351 25538 9433 1 20 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.163 -0.106 25538 9434 1 20 . 1 1 63 63 LYS C C 63 174.784 174.784 176.000 -1.216 25538 9435 1 20 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.534 0.549 25538 9436 1 20 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.417 -1.085 25538 9437 1 20 . 1 1 63 63 LYS H H 63 7.824 7.824 8.054 -0.230 25538 9438 1 20 . 1 1 64 64 GLN N N 64 115.371 115.371 113.744 1.627 25538 9439 1 20 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.192 -0.571 25538 9440 1 20 . 1 1 64 64 GLN C C 64 175.550 175.550 175.642 -0.092 25538 9441 1 20 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.319 0.660 25538 9442 1 20 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.928 0.320 25538 9443 1 20 . 1 1 64 64 GLN H H 64 7.653 7.653 8.150 -0.497 25538 9444 1 20 . 1 1 65 65 LEU N N 65 115.332 115.332 121.268 -5.936 25538 9445 1 20 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.623 -0.188 25538 9446 1 20 . 1 1 65 65 LEU C C 65 175.979 175.979 175.535 0.444 25538 9447 1 20 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.911 0.690 25538 9448 1 20 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.575 1.361 25538 9449 1 20 . 1 1 65 65 LEU H H 65 8.059 8.059 8.280 -0.221 25538 9450 1 20 . 1 1 66 66 TYR N N 66 113.240 113.240 115.069 -1.829 25538 9451 1 20 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.081 0.179 25538 9452 1 20 . 1 1 66 66 TYR C C 66 174.107 174.107 173.734 0.373 25538 9453 1 20 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.289 -0.615 25538 9454 1 20 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.718 -0.959 25538 9455 1 20 . 1 1 66 66 TYR H H 66 6.845 6.845 7.336 -0.491 25538 9456 1 20 . 1 1 67 67 ASP N N 67 122.255 122.255 120.982 1.273 25538 9457 1 20 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.861 -0.426 25538 9458 1 20 . 1 1 67 67 ASP C C 67 176.779 176.779 176.815 -0.036 25538 9459 1 20 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.810 0.976 25538 9460 1 20 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.955 -0.596 25538 9461 1 20 . 1 1 67 67 ASP H H 67 8.341 8.341 8.243 0.098 25538 9462 1 20 . 1 1 68 68 GLN N N 68 123.090 123.090 123.890 -0.800 25538 9463 1 20 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.126 -0.245 25538 9464 1 20 . 1 1 68 68 GLN C C 68 177.122 177.122 176.497 0.625 25538 9465 1 20 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.764 1.125 25538 9466 1 20 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.451 0.614 25538 9467 1 20 . 1 1 68 68 GLN H H 68 8.552 8.552 8.707 -0.155 25538 9468 1 20 . 1 1 69 69 GLN N N 69 115.295 115.295 118.787 -3.492 25538 9469 1 20 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.441 -0.102 25538 9470 1 20 . 1 1 69 69 GLN C C 69 176.272 176.272 176.914 -0.642 25538 9471 1 20 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.669 0.266 25538 9472 1 20 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.430 -0.514 25538 9473 1 20 . 1 1 69 69 GLN H H 69 8.347 8.347 8.524 -0.177 25538 9474 1 20 . 1 1 70 70 GLU N N 70 122.341 122.341 121.887 0.454 25538 9475 1 20 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.564 -0.073 25538 9476 1 20 . 1 1 70 70 GLU C C 70 175.832 175.832 176.466 -0.634 25538 9477 1 20 . 1 1 70 70 GLU CA C 70 55.086 55.086 54.978 0.107 25538 9478 1 20 . 1 1 70 70 GLU CB C 70 29.538 29.538 27.786 1.752 25538 9479 1 20 . 1 1 70 70 GLU H H 70 8.237 8.237 8.706 -0.469 25538 9480 1 20 . 1 1 71 71 GLN N N 71 119.185 119.185 118.924 0.261 25538 9481 1 20 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.381 0.120 25538 9482 1 20 . 1 1 71 71 GLN C C 71 173.848 173.848 176.225 -2.377 25538 9483 1 20 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.172 1.628 25538 9484 1 20 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.951 -0.769 25538 9485 1 20 . 1 1 71 71 GLN H H 71 8.206 8.206 7.726 0.480 25538 9486 1 20 . 1 1 72 72 HIS N N 72 109.549 109.549 111.728 -2.179 25538 9487 1 20 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.565 -0.385 25538 9488 1 20 . 1 1 72 72 HIS C C 72 175.790 175.790 174.332 1.458 25538 9489 1 20 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.026 1.255 25538 9490 1 20 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.686 1.389 25538 9491 1 20 . 1 1 72 72 HIS H H 72 7.383 7.383 8.149 -0.766 25538 9492 1 20 . 1 1 73 73 MET N N 73 119.174 119.174 120.704 -1.530 25538 9493 1 20 . 1 1 73 73 MET HA H 73 4.570 4.570 4.715 -0.145 25538 9494 1 20 . 1 1 73 73 MET C C 73 174.242 174.242 173.843 0.399 25538 9495 1 20 . 1 1 73 73 MET CA C 73 53.027 53.027 53.941 -0.914 25538 9496 1 20 . 1 1 73 73 MET CB C 73 31.709 31.709 34.564 -2.855 25538 9497 1 20 . 1 1 73 73 MET H H 73 7.655 7.655 7.524 0.131 25538 9498 1 20 . 1 1 74 74 VAL N N 74 122.522 122.522 125.426 -2.904 25538 9499 1 20 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.173 -0.250 25538 9500 1 20 . 1 1 74 74 VAL C C 74 174.851 174.851 174.335 0.516 25538 9501 1 20 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.057 0.337 25538 9502 1 20 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.778 0.009 25538 9503 1 20 . 1 1 74 74 VAL H H 74 8.443 8.443 8.608 -0.165 25538 9504 1 20 . 1 1 75 75 TYR N N 75 125.773 125.773 124.327 1.446 25538 9505 1 20 . 1 1 75 75 TYR HA H 75 4.752 4.752 4.937 -0.185 25538 9506 1 20 . 1 1 75 75 TYR C C 75 174.923 174.923 175.412 -0.489 25538 9507 1 20 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.743 1.069 25538 9508 1 20 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.342 0.291 25538 9509 1 20 . 1 1 75 75 TYR H H 75 8.256 8.256 8.781 -0.525 25538 9510 1 20 . 1 1 76 76 CYS N N 76 116.702 116.702 120.941 -4.239 25538 9511 1 20 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.559 0.188 25538 9512 1 20 . 1 1 76 76 CYS C C 76 174.231 174.231 177.091 -2.860 25538 9513 1 20 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.389 -3.287 25538 9514 1 20 . 1 1 76 76 CYS CB C 76 29.589 29.589 27.726 1.863 25538 9515 1 20 . 1 1 76 76 CYS H H 76 8.266 8.266 8.387 -0.121 25538 9516 1 20 . 1 1 77 77 GLY N N 77 111.675 111.675 110.975 0.700 25538 9517 1 20 . 1 1 77 77 GLY C C 77 174.662 174.662 175.110 -0.448 25538 9518 1 20 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.953 0.196 25538 9519 1 20 . 1 1 77 77 GLY H H 77 8.483 8.483 8.580 -0.097 25538 9520 1 20 . 1 1 78 78 GLY N N 78 113.022 113.022 107.426 5.596 25538 9521 1 20 . 1 1 78 78 GLY C C 78 172.811 172.811 173.221 -0.410 25538 9522 1 20 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.527 1.225 25538 9523 1 20 . 1 1 78 78 GLY H H 78 8.892 8.892 8.123 0.769 25538 9524 1 20 . 1 1 79 79 ASP N N 79 119.457 119.457 121.295 -1.838 25538 9525 1 20 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.845 0.047 25538 9526 1 20 . 1 1 79 79 ASP C C 79 176.302 176.302 177.353 -1.051 25538 9527 1 20 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.074 -0.027 25538 9528 1 20 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.163 4.108 25538 9529 1 20 . 1 1 79 79 ASP H H 79 7.795 7.795 7.890 -0.095 25538 9530 1 20 . 1 1 80 80 LEU N N 80 128.421 128.421 125.849 2.572 25538 9531 1 20 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.136 -0.072 25538 9532 1 20 . 1 1 80 80 LEU C C 80 179.059 179.059 178.756 0.303 25538 9533 1 20 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.931 0.592 25538 9534 1 20 . 1 1 80 80 LEU CB C 80 42.647 42.647 41.717 0.930 25538 9535 1 20 . 1 1 80 80 LEU H H 80 8.549 8.549 8.917 -0.368 25538 9536 1 20 . 1 1 81 81 LEU N N 81 118.678 118.678 120.498 -1.820 25538 9537 1 20 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.919 -0.052 25538 9538 1 20 . 1 1 81 81 LEU C C 81 178.542 178.542 178.224 0.318 25538 9539 1 20 . 1 1 81 81 LEU CA C 81 58.526 58.526 59.037 -0.511 25538 9540 1 20 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.254 1.395 25538 9541 1 20 . 1 1 81 81 LEU H H 81 9.974 9.974 8.958 1.016 25538 9542 1 20 . 1 1 82 82 GLY N N 82 105.642 105.642 105.636 0.006 25538 9543 1 20 . 1 1 82 82 GLY C C 82 176.907 176.907 176.515 0.392 25538 9544 1 20 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.178 0.815 25538 9545 1 20 . 1 1 82 82 GLY H H 82 7.543 7.543 8.508 -0.965 25538 9546 1 20 . 1 1 83 83 GLU N N 83 121.762 121.762 122.548 -0.786 25538 9547 1 20 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.035 -0.053 25538 9548 1 20 . 1 1 83 83 GLU C C 83 179.215 179.215 179.343 -0.128 25538 9549 1 20 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.474 -0.313 25538 9550 1 20 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.466 0.005 25538 9551 1 20 . 1 1 83 83 GLU H H 83 7.537 7.537 8.194 -0.657 25538 9552 1 20 . 1 1 84 84 LEU N N 84 118.478 118.478 118.085 0.393 25538 9553 1 20 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.082 -0.058 25538 9554 1 20 . 1 1 84 84 LEU C C 84 178.842 178.842 178.736 0.106 25538 9555 1 20 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.035 0.440 25538 9556 1 20 . 1 1 84 84 LEU CB C 84 42.392 42.392 42.277 0.115 25538 9557 1 20 . 1 1 84 84 LEU H H 84 7.717 7.717 8.241 -0.524 25538 9558 1 20 . 1 1 85 85 LEU N N 85 115.268 115.268 113.987 1.281 25538 9559 1 20 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.160 -0.383 25538 9560 1 20 . 1 1 85 85 LEU C C 85 177.773 177.773 177.787 -0.014 25538 9561 1 20 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.444 -0.069 25538 9562 1 20 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.749 1.144 25538 9563 1 20 . 1 1 85 85 LEU H H 85 8.091 8.091 7.968 0.123 25538 9564 1 20 . 1 1 86 86 GLY N N 86 107.339 107.339 106.420 0.919 25538 9565 1 20 . 1 1 86 86 GLY C C 86 174.143 174.143 174.427 -0.284 25538 9566 1 20 . 1 1 86 86 GLY CA C 86 46.315 46.315 44.864 1.452 25538 9567 1 20 . 1 1 86 86 GLY H H 86 7.993 7.993 8.059 -0.066 25538 9568 1 20 . 1 1 87 87 ARG N N 87 113.292 113.292 120.219 -6.927 25538 9569 1 20 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.630 0.024 25538 9570 1 20 . 1 1 87 87 ARG C C 87 174.720 174.720 175.449 -0.729 25538 9571 1 20 . 1 1 87 87 ARG CA C 87 54.160 54.160 54.894 -0.734 25538 9572 1 20 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.178 2.278 25538 9573 1 20 . 1 1 87 87 ARG H H 87 7.407 7.407 7.548 -0.141 25538 9574 1 20 . 1 1 88 88 GLN N N 88 116.042 116.042 121.795 -5.753 25538 9575 1 20 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.333 -0.287 25538 9576 1 20 . 1 1 88 88 GLN C C 88 175.946 175.946 174.832 1.114 25538 9577 1 20 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.355 -0.180 25538 9578 1 20 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.369 0.421 25538 9579 1 20 . 1 1 88 88 GLN H H 88 8.660 8.660 8.724 -0.064 25538 9580 1 20 . 1 1 89 89 SER N N 89 110.533 110.533 110.690 -0.157 25538 9581 1 20 . 1 1 89 89 SER HA H 89 5.431 5.431 4.833 0.598 25538 9582 1 20 . 1 1 89 89 SER C C 89 173.062 173.062 173.119 -0.057 25538 9583 1 20 . 1 1 89 89 SER CA C 89 57.019 57.019 56.546 0.473 25538 9584 1 20 . 1 1 89 89 SER CB C 89 66.577 66.577 65.750 0.827 25538 9585 1 20 . 1 1 89 89 SER H H 89 7.620 7.620 7.478 0.142 25538 9586 1 20 . 1 1 90 90 PHE N N 90 115.219 115.219 116.344 -1.125 25538 9587 1 20 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.926 -0.231 25538 9588 1 20 . 1 1 90 90 PHE C C 90 175.233 175.233 172.559 2.674 25538 9589 1 20 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.740 0.354 25538 9590 1 20 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.362 -0.016 25538 9591 1 20 . 1 1 90 90 PHE H H 90 8.557 8.557 7.440 1.117 25538 9592 1 20 . 1 1 91 91 SER N N 91 113.681 113.681 114.228 -0.547 25538 9593 1 20 . 1 1 91 91 SER HA H 91 5.391 5.391 5.218 0.173 25538 9594 1 20 . 1 1 91 91 SER CA C 91 54.564 54.564 55.828 -1.264 25538 9595 1 20 . 1 1 91 91 SER CB C 91 65.366 65.366 66.952 -1.586 25538 9596 1 20 . 1 1 91 91 SER H H 91 9.006 9.006 8.205 0.801 25538 9597 1 20 . 1 1 92 92 VAL N N 92 121.388 121.388 120.786 0.602 25538 9598 1 20 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.847 0.096 25538 9599 1 20 . 1 1 92 92 VAL CA C 92 64.195 64.195 66.042 -1.847 25538 9600 1 20 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.956 -0.725 25538 9601 1 20 . 1 1 92 92 VAL H H 92 8.983 8.983 9.033 -0.050 25538 9602 1 20 . 1 1 93 93 LYS N N 93 116.161 116.161 116.043 0.118 25538 9603 1 20 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.434 -0.451 25538 9604 1 20 . 1 1 93 93 LYS C C 93 177.088 177.088 176.200 0.888 25538 9605 1 20 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.404 0.777 25538 9606 1 20 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.721 -0.597 25538 9607 1 20 . 1 1 93 93 LYS H H 93 8.078 8.078 7.611 0.467 25538 9608 1 20 . 1 1 94 94 ASP N N 94 115.406 115.406 120.536 -5.130 25538 9609 1 20 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.151 -0.202 25538 9610 1 20 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.340 0.217 25538 9611 1 20 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.936 -0.491 25538 9612 1 20 . 1 1 94 94 ASP H H 94 7.385 7.385 7.779 -0.394 25538 9613 1 20 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.708 -0.271 25538 9614 1 20 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.442 0.447 25538 9615 1 20 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.059 0.701 25538 9616 1 20 . 1 1 96 96 SER N N 96 118.819 118.819 117.518 1.301 25538 9617 1 20 . 1 1 96 96 SER HA H 96 4.220 4.220 4.335 -0.115 25538 9618 1 20 . 1 1 96 96 SER CA C 96 64.406 64.406 64.009 0.397 25538 9619 1 20 . 1 1 96 96 SER CB C 96 61.862 61.862 61.313 0.549 25538 9620 1 20 . 1 1 96 96 SER H H 96 8.104 8.104 8.690 -0.586 25538 9621 1 20 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.423 -0.074 25538 9622 1 20 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.042 0.869 25538 9623 1 20 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.551 -0.056 25538 9624 1 20 . 1 1 98 98 LEU N N 98 118.063 118.063 121.023 -2.960 25538 9625 1 20 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.755 -0.152 25538 9626 1 20 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.580 -0.479 25538 9627 1 20 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.357 0.039 25538 9628 1 20 . 1 1 98 98 LEU H H 98 7.087 7.087 7.119 -0.032 25538 9629 1 20 . 1 1 99 99 TYR N N 99 118.063 118.063 118.049 0.014 25538 9630 1 20 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.017 0.127 25538 9631 1 20 . 1 1 99 99 TYR C C 99 178.914 178.914 177.931 0.983 25538 9632 1 20 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.454 -1.186 25538 9633 1 20 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.867 -0.900 25538 9634 1 20 . 1 1 99 99 TYR H H 99 7.594 7.594 8.346 -0.752 25538 9635 1 20 . 1 1 100 100 ASP N N 100 119.682 119.682 119.824 -0.142 25538 9636 1 20 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.327 -0.001 25538 9637 1 20 . 1 1 100 100 ASP C C 100 177.737 177.737 178.193 -0.456 25538 9638 1 20 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.204 0.671 25538 9639 1 20 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.879 0.209 25538 9640 1 20 . 1 1 100 100 ASP H H 100 8.315 8.315 7.778 0.537 25538 9641 1 20 . 1 1 101 101 MET N N 101 118.784 118.784 119.062 -0.278 25538 9642 1 20 . 1 1 101 101 MET HA H 101 3.969 3.969 4.099 -0.130 25538 9643 1 20 . 1 1 101 101 MET C C 101 180.080 180.080 177.868 2.212 25538 9644 1 20 . 1 1 101 101 MET CA C 101 59.420 59.420 58.482 0.938 25538 9645 1 20 . 1 1 101 101 MET CB C 101 31.642 31.642 32.111 -0.469 25538 9646 1 20 . 1 1 101 101 MET H H 101 7.245 7.245 7.829 -0.584 25538 9647 1 20 . 1 1 102 102 LEU N N 102 121.572 121.572 120.378 1.194 25538 9648 1 20 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.827 -0.126 25538 9649 1 20 . 1 1 102 102 LEU C C 102 178.566 178.566 179.333 -0.767 25538 9650 1 20 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.802 0.941 25538 9651 1 20 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.341 0.105 25538 9652 1 20 . 1 1 102 102 LEU H H 102 8.471 8.471 8.158 0.313 25538 9653 1 20 . 1 1 103 103 ARG N N 103 117.180 117.180 114.826 2.354 25538 9654 1 20 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.098 -0.128 25538 9655 1 20 . 1 1 103 103 ARG C C 103 178.818 178.818 177.506 1.312 25538 9656 1 20 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.676 0.827 25538 9657 1 20 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.316 -0.100 25538 9658 1 20 . 1 1 103 103 ARG H H 103 7.933 7.933 8.132 -0.199 25538 9659 1 20 . 1 1 104 104 LYS N N 104 114.206 114.206 115.353 -1.147 25538 9660 1 20 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.367 -0.151 25538 9661 1 20 . 1 1 104 104 LYS C C 104 177.556 177.556 176.454 1.102 25538 9662 1 20 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.224 0.529 25538 9663 1 20 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.962 1.138 25538 9664 1 20 . 1 1 104 104 LYS H H 104 7.171 7.171 7.457 -0.286 25538 9665 1 20 . 1 1 105 105 ASN N N 105 114.097 114.097 117.497 -3.400 25538 9666 1 20 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.770 -0.039 25538 9667 1 20 . 1 1 105 105 ASN C C 105 172.822 172.822 175.724 -2.902 25538 9668 1 20 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.923 -0.080 25538 9669 1 20 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.396 1.945 25538 9670 1 20 . 1 1 105 105 ASN H H 105 7.661 7.661 7.737 -0.076 25538 9671 1 20 . 1 1 106 106 LEU N N 106 118.656 118.656 119.428 -0.772 25538 9672 1 20 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.508 0.163 25538 9673 1 20 . 1 1 106 106 LEU C C 106 175.658 175.658 178.638 -2.980 25538 9674 1 20 . 1 1 106 106 LEU CA C 106 54.158 54.158 55.660 -1.502 25538 9675 1 20 . 1 1 106 106 LEU CB C 106 43.610 43.610 42.712 0.898 25538 9676 1 20 . 1 1 106 106 LEU H H 106 7.440 7.440 8.219 -0.779 25538 9677 1 20 . 1 1 107 107 VAL N N 107 122.765 122.765 118.445 4.320 25538 9678 1 20 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.143 0.071 25538 9679 1 20 . 1 1 107 107 VAL C C 107 176.054 176.054 175.448 0.606 25538 9680 1 20 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.483 -0.340 25538 9681 1 20 . 1 1 107 107 VAL CB C 107 33.556 33.556 29.793 3.763 25538 9682 1 20 . 1 1 107 107 VAL H H 107 8.158 8.158 8.022 0.136 25538 9683 1 20 . 1 1 108 108 THR N N 108 120.921 120.921 114.440 6.481 25538 9684 1 20 . 1 1 108 108 THR HA H 108 4.332 4.332 3.879 0.453 25538 9685 1 20 . 1 1 108 108 THR C C 108 174.216 174.216 173.653 0.563 25538 9686 1 20 . 1 1 108 108 THR CA C 108 62.726 62.726 62.842 -0.116 25538 9687 1 20 . 1 1 108 108 THR CB C 108 69.777 69.777 67.968 1.809 25538 9688 1 20 . 1 1 108 108 THR H H 108 8.524 8.524 7.916 0.608 25538 9689 1 20 . 1 1 109 109 LEU N N 109 125.518 125.518 122.932 2.586 25538 9690 1 20 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.420 -0.065 25538 9691 1 20 . 1 1 109 109 LEU C C 109 176.523 176.523 175.976 0.547 25538 9692 1 20 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.628 0.419 25538 9693 1 20 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.627 0.963 25538 9694 1 20 . 1 1 109 109 LEU H H 109 8.312 8.312 8.092 0.220 25538 9695 1 20 . 1 1 110 110 ALA N N 110 125.099 125.099 126.552 -1.453 25538 9696 1 20 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.710 -0.344 25538 9697 1 20 . 1 1 110 110 ALA C C 110 176.847 176.847 175.721 1.126 25538 9698 1 20 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.233 0.395 25538 9699 1 20 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.272 -1.566 25538 9700 1 20 . 1 1 110 110 ALA H H 110 8.257 8.257 8.061 0.196 25538 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 83 2.682 0.960 2.520 25538 2 1 1 "Average Difference" HA 94 0.324 0.012 0.325 25538 3 1 1 "Average Difference" C 72 1.135 -0.089 1.140 25538 4 1 1 "Average Difference" CA 87 1.030 -0.300 0.991 25538 5 1 1 "Average Difference" CB 80 1.557 -0.552 1.465 25538 6 1 1 "Average Difference" HN 83 0.479 0.071 0.477 25538 7 1 2 "Average Difference" N 83 2.668 0.929 2.516 25538 8 1 2 "Average Difference" HA 94 0.374 0.026 0.375 25538 9 1 2 "Average Difference" C 72 0.998 -0.091 1.000 25538 10 1 2 "Average Difference" CA 87 1.187 -0.270 1.162 25538 11 1 2 "Average Difference" CB 80 1.681 -0.555 1.597 25538 12 1 2 "Average Difference" HN 83 0.522 0.048 0.523 25538 13 1 3 "Average Difference" N 83 2.609 1.019 2.417 25538 14 1 3 "Average Difference" HA 94 0.311 0.047 0.309 25538 15 1 3 "Average Difference" C 72 1.052 -0.077 1.057 25538 16 1 3 "Average Difference" CA 87 0.939 -0.357 0.873 25538 17 1 3 "Average Difference" CB 80 1.454 -0.553 1.353 25538 18 1 3 "Average Difference" HN 83 0.457 0.055 0.456 25538 19 1 4 "Average Difference" N 83 3.054 1.277 2.791 25538 20 1 4 "Average Difference" HA 94 0.324 0.019 0.325 25538 21 1 4 "Average Difference" C 72 1.121 -0.074 1.127 25538 22 1 4 "Average Difference" CA 87 0.977 -0.319 0.928 25538 23 1 4 "Average Difference" CB 80 1.548 -0.580 1.444 25538 24 1 4 "Average Difference" HN 83 0.475 0.049 0.475 25538 25 1 5 "Average Difference" N 83 2.768 1.094 2.558 25538 26 1 5 "Average Difference" HA 94 0.308 0.050 0.306 25538 27 1 5 "Average Difference" C 72 1.039 -0.077 1.043 25538 28 1 5 "Average Difference" CA 87 1.034 -0.325 0.988 25538 29 1 5 "Average Difference" CB 80 1.453 -0.537 1.358 25538 30 1 5 "Average Difference" HN 83 0.482 0.058 0.482 25538 31 1 6 "Average Difference" N 83 2.954 1.216 2.708 25538 32 1 6 "Average Difference" HA 94 0.344 0.028 0.345 25538 33 1 6 "Average Difference" C 72 1.133 -0.092 1.137 25538 34 1 6 "Average Difference" CA 87 0.957 -0.333 0.903 25538 35 1 6 "Average Difference" CB 80 1.735 -0.611 1.634 25538 36 1 6 "Average Difference" HN 83 0.529 0.043 0.531 25538 37 1 7 "Average Difference" N 83 2.931 1.270 2.658 25538 38 1 7 "Average Difference" HA 94 0.307 0.030 0.307 25538 39 1 7 "Average Difference" C 72 1.096 -0.063 1.101 25538 40 1 7 "Average Difference" CA 87 1.003 -0.255 0.976 25538 41 1 7 "Average Difference" CB 80 1.609 -0.649 1.481 25538 42 1 7 "Average Difference" HN 83 0.480 0.055 0.479 25538 43 1 8 "Average Difference" N 83 2.970 1.238 2.716 25538 44 1 8 "Average Difference" HA 94 0.320 0.023 0.321 25538 45 1 8 "Average Difference" C 72 1.108 -0.086 1.112 25538 46 1 8 "Average Difference" CA 87 1.043 -0.288 1.008 25538 47 1 8 "Average Difference" CB 80 1.556 -0.598 1.446 25538 48 1 8 "Average Difference" HN 83 0.466 0.061 0.465 25538 49 1 9 "Average Difference" N 83 2.901 1.172 2.670 25538 50 1 9 "Average Difference" HA 94 0.329 0.042 0.328 25538 51 1 9 "Average Difference" C 72 1.023 -0.125 1.023 25538 52 1 9 "Average Difference" CA 87 1.028 -0.350 0.972 25538 53 1 9 "Average Difference" CB 80 1.560 -0.483 1.493 25538 54 1 9 "Average Difference" HN 83 0.502 0.055 0.502 25538 55 1 10 "Average Difference" N 83 3.015 1.165 2.797 25538 56 1 10 "Average Difference" HA 94 0.353 0.011 0.355 25538 57 1 10 "Average Difference" C 72 1.031 -0.072 1.036 25538 58 1 10 "Average Difference" CA 87 1.203 -0.242 1.185 25538 59 1 10 "Average Difference" CB 80 1.655 -0.572 1.563 25538 60 1 10 "Average Difference" HN 83 0.497 0.081 0.493 25538 61 1 11 "Average Difference" N 83 2.854 1.046 2.672 25538 62 1 11 "Average Difference" HA 94 0.311 0.033 0.311 25538 63 1 11 "Average Difference" C 72 1.055 -0.070 1.060 25538 64 1 11 "Average Difference" CA 87 1.096 -0.223 1.079 25538 65 1 11 "Average Difference" CB 80 1.429 -0.515 1.342 25538 66 1 11 "Average Difference" HN 83 0.468 0.050 0.468 25538 67 1 12 "Average Difference" N 83 2.751 1.014 2.573 25538 68 1 12 "Average Difference" HA 94 0.325 0.057 0.321 25538 69 1 12 "Average Difference" C 72 1.086 -0.086 1.090 25538 70 1 12 "Average Difference" CA 87 0.976 -0.330 0.924 25538 71 1 12 "Average Difference" CB 80 1.464 -0.495 1.387 25538 72 1 12 "Average Difference" HN 83 0.459 0.033 0.461 25538 73 1 13 "Average Difference" N 83 2.988 1.162 2.770 25538 74 1 13 "Average Difference" HA 94 0.317 0.046 0.315 25538 75 1 13 "Average Difference" C 72 1.124 -0.097 1.128 25538 76 1 13 "Average Difference" CA 87 1.076 -0.317 1.034 25538 77 1 13 "Average Difference" CB 80 1.494 -0.555 1.396 25538 78 1 13 "Average Difference" HN 83 0.471 0.025 0.473 25538 79 1 14 "Average Difference" N 83 2.916 1.114 2.711 25538 80 1 14 "Average Difference" HA 94 0.307 0.032 0.307 25538 81 1 14 "Average Difference" C 72 1.105 -0.095 1.108 25538 82 1 14 "Average Difference" CA 87 0.965 -0.347 0.906 25538 83 1 14 "Average Difference" CB 80 1.469 -0.568 1.364 25538 84 1 14 "Average Difference" HN 83 0.460 0.049 0.460 25538 85 1 15 "Average Difference" N 83 2.923 1.140 2.707 25538 86 1 15 "Average Difference" HA 94 0.314 0.039 0.313 25538 87 1 15 "Average Difference" C 72 1.111 -0.027 1.118 25538 88 1 15 "Average Difference" CA 87 0.957 -0.341 0.899 25538 89 1 15 "Average Difference" CB 80 1.594 -0.593 1.489 25538 90 1 15 "Average Difference" HN 83 0.460 0.057 0.459 25538 91 1 16 "Average Difference" N 83 2.813 1.212 2.554 25538 92 1 16 "Average Difference" HA 94 0.302 0.032 0.302 25538 93 1 16 "Average Difference" C 72 1.060 -0.055 1.066 25538 94 1 16 "Average Difference" CA 87 0.982 -0.229 0.961 25538 95 1 16 "Average Difference" CB 80 1.439 -0.524 1.349 25538 96 1 16 "Average Difference" HN 83 0.449 0.082 0.444 25538 97 1 17 "Average Difference" N 83 2.931 1.228 2.678 25538 98 1 17 "Average Difference" HA 94 0.320 0.051 0.317 25538 99 1 17 "Average Difference" C 72 0.997 -0.150 0.993 25538 100 1 17 "Average Difference" CA 87 0.988 -0.317 0.941 25538 101 1 17 "Average Difference" CB 80 1.425 -0.502 1.342 25538 102 1 17 "Average Difference" HN 83 0.458 0.072 0.455 25538 103 1 18 "Average Difference" N 83 2.859 1.158 2.630 25538 104 1 18 "Average Difference" HA 94 0.338 0.037 0.338 25538 105 1 18 "Average Difference" C 72 1.062 -0.102 1.064 25538 106 1 18 "Average Difference" CA 87 1.024 -0.313 0.981 25538 107 1 18 "Average Difference" CB 80 1.685 -0.579 1.593 25538 108 1 18 "Average Difference" HN 83 0.513 0.031 0.515 25538 109 1 19 "Average Difference" N 83 2.938 0.973 2.789 25538 110 1 19 "Average Difference" HA 94 0.318 0.035 0.318 25538 111 1 19 "Average Difference" C 72 1.090 -0.071 1.096 25538 112 1 19 "Average Difference" CA 87 1.023 -0.328 0.975 25538 113 1 19 "Average Difference" CB 80 1.512 -0.546 1.419 25538 114 1 19 "Average Difference" HN 83 0.524 0.033 0.526 25538 115 1 20 "Average Difference" N 83 2.826 0.998 2.660 25538 116 1 20 "Average Difference" HA 94 0.320 0.026 0.320 25538 117 1 20 "Average Difference" C 72 1.125 -0.071 1.130 25538 118 1 20 "Average Difference" CA 87 1.030 -0.251 1.005 25538 119 1 20 "Average Difference" CB 80 1.494 -0.607 1.374 25538 120 1 20 "Average Difference" HN 83 0.508 0.056 0.508 25538 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 25538 _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 24 24 ILE N N 24 120.669 120.669 121.876 -1.207 25538 2 1 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.066 0.081 25538 3 1 . 1 1 24 24 ILE C C 24 175.650 175.650 176.099 -0.449 25538 4 1 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.772 -0.430 25538 5 1 . 1 1 24 24 ILE CB C 24 38.977 38.977 37.626 1.351 25538 6 1 . 1 1 24 24 ILE H H 24 8.122 8.122 8.357 -0.235 25538 7 1 . 1 1 25 25 ASN N N 25 121.886 121.886 124.824 -2.938 25538 8 1 . 1 1 25 25 ASN HA H 25 4.702 4.702 4.829 -0.127 25538 9 1 . 1 1 25 25 ASN C C 25 174.775 174.775 174.200 0.575 25538 10 1 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.842 0.888 25538 11 1 . 1 1 25 25 ASN CB C 25 39.301 39.301 40.015 -0.714 25538 12 1 . 1 1 25 25 ASN H H 25 8.436 8.436 8.700 -0.264 25538 13 1 . 1 1 26 26 GLN N N 26 118.706 118.706 119.115 -0.409 25538 14 1 . 1 1 26 26 GLN HA H 26 4.582 4.582 4.434 0.148 25538 15 1 . 1 1 26 26 GLN C C 26 175.291 175.291 174.181 1.111 25538 16 1 . 1 1 26 26 GLN CA C 26 55.640 55.640 55.774 -0.134 25538 17 1 . 1 1 26 26 GLN CB C 26 32.218 32.218 29.890 2.328 25538 18 1 . 1 1 26 26 GLN H H 26 8.208 8.208 8.219 -0.011 25538 19 1 . 1 1 27 27 VAL N N 27 113.658 113.658 121.236 -7.578 25538 20 1 . 1 1 27 27 VAL HA H 27 4.876 4.876 4.335 0.541 25538 21 1 . 1 1 27 27 VAL C C 27 173.900 173.900 173.957 -0.057 25538 22 1 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.649 -2.533 25538 23 1 . 1 1 27 27 VAL CB C 27 36.014 36.014 34.854 1.160 25538 24 1 . 1 1 27 27 VAL H H 27 9.401 9.401 8.286 1.115 25538 25 1 . 1 1 28 28 ARG N N 28 121.535 121.535 124.140 -2.605 25538 26 1 . 1 1 28 28 ARG HA H 28 5.457 5.457 4.816 0.641 25538 27 1 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.310 -0.739 25538 28 1 . 1 1 28 28 ARG CB C 28 33.652 33.652 32.301 1.351 25538 29 1 . 1 1 28 28 ARG H H 28 8.904 8.904 8.470 0.434 25538 30 1 . 1 1 29 29 PRO HA H 29 5.009 5.009 4.815 0.194 25538 31 1 . 1 1 29 29 PRO CA C 29 61.940 61.940 61.707 0.233 25538 32 1 . 1 1 29 29 PRO CB C 29 32.254 32.254 33.541 -1.286 25538 33 1 . 1 1 30 30 LYS N N 30 121.258 121.258 119.449 1.809 25538 34 1 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.459 -0.258 25538 35 1 . 1 1 30 30 LYS C C 30 177.557 177.557 177.512 0.045 25538 36 1 . 1 1 30 30 LYS CA C 30 57.385 57.385 55.002 2.383 25538 37 1 . 1 1 30 30 LYS CB C 30 33.850 33.850 34.352 -0.502 25538 38 1 . 1 1 30 30 LYS H H 30 8.477 8.477 8.231 0.246 25538 39 1 . 1 1 31 31 LEU N N 31 121.577 121.577 126.497 -4.920 25538 40 1 . 1 1 31 31 LEU HA H 31 4.062 4.062 4.188 -0.126 25538 41 1 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.239 0.957 25538 42 1 . 1 1 31 31 LEU CB C 31 39.775 39.775 40.034 -0.259 25538 43 1 . 1 1 31 31 LEU H H 31 8.599 8.599 8.899 -0.300 25538 44 1 . 1 1 32 32 PRO HA H 32 4.137 4.137 4.229 -0.092 25538 45 1 . 1 1 32 32 PRO CA C 32 66.485 66.485 65.225 1.260 25538 46 1 . 1 1 32 32 PRO CB C 32 31.586 31.586 31.065 0.521 25538 47 1 . 1 1 33 33 LEU N N 33 113.299 113.299 118.459 -5.160 25538 48 1 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.334 -0.359 25538 49 1 . 1 1 33 33 LEU C C 33 177.726 177.726 178.043 -0.317 25538 50 1 . 1 1 33 33 LEU CA C 33 56.140 56.140 55.694 0.446 25538 51 1 . 1 1 33 33 LEU CB C 33 41.830 41.830 42.577 -0.747 25538 52 1 . 1 1 33 33 LEU H H 33 6.610 6.610 7.528 -0.918 25538 53 1 . 1 1 34 34 LEU N N 34 121.730 121.730 122.198 -0.468 25538 54 1 . 1 1 34 34 LEU HA H 34 3.396 3.396 3.838 -0.442 25538 55 1 . 1 1 34 34 LEU C C 34 177.467 177.467 178.342 -0.875 25538 56 1 . 1 1 34 34 LEU CA C 34 58.261 58.261 58.659 -0.398 25538 57 1 . 1 1 34 34 LEU CB C 34 41.836 41.836 41.630 0.206 25538 58 1 . 1 1 34 34 LEU H H 34 8.411 8.411 8.807 -0.396 25538 59 1 . 1 1 35 35 LYS N N 35 114.927 114.927 117.251 -2.324 25538 60 1 . 1 1 35 35 LYS HA H 35 3.804 3.804 3.939 -0.135 25538 61 1 . 1 1 35 35 LYS C C 35 180.207 180.207 179.108 1.099 25538 62 1 . 1 1 35 35 LYS CA C 35 60.140 60.140 58.517 1.624 25538 63 1 . 1 1 35 35 LYS CB C 35 32.569 32.569 31.592 0.977 25538 64 1 . 1 1 35 35 LYS H H 35 7.964 7.964 8.061 -0.097 25538 65 1 . 1 1 36 36 ILE N N 36 119.935 119.935 120.154 -0.219 25538 66 1 . 1 1 36 36 ILE HA H 36 3.303 3.303 3.521 -0.218 25538 67 1 . 1 1 36 36 ILE C C 36 176.418 176.418 177.895 -1.478 25538 68 1 . 1 1 36 36 ILE CA C 36 64.484 64.484 62.949 1.535 25538 69 1 . 1 1 36 36 ILE CB C 36 37.629 37.629 36.464 1.165 25538 70 1 . 1 1 36 36 ILE H H 36 6.739 6.739 7.344 -0.605 25538 71 1 . 1 1 37 37 LEU N N 37 116.682 116.682 120.702 -4.020 25538 72 1 . 1 1 37 37 LEU HA H 37 3.528 3.528 3.447 0.081 25538 73 1 . 1 1 37 37 LEU C C 37 180.263 180.263 179.043 1.220 25538 74 1 . 1 1 37 37 LEU CA C 37 58.225 58.225 58.225 0.000 25538 75 1 . 1 1 37 37 LEU CB C 37 39.142 39.142 40.724 -1.582 25538 76 1 . 1 1 37 37 LEU H H 37 7.633 7.633 7.782 -0.149 25538 77 1 . 1 1 38 38 HIS N N 38 117.463 117.463 117.768 -0.305 25538 78 1 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.148 0.534 25538 79 1 . 1 1 38 38 HIS C C 38 179.936 179.936 177.869 2.067 25538 80 1 . 1 1 38 38 HIS CA C 38 57.291 57.291 59.022 -1.731 25538 81 1 . 1 1 38 38 HIS CB C 38 30.732 30.732 29.873 0.859 25538 82 1 . 1 1 38 38 HIS H H 38 8.932 8.932 8.597 0.335 25538 83 1 . 1 1 39 39 ALA N N 39 124.102 124.102 121.714 2.388 25538 84 1 . 1 1 39 39 ALA HA H 39 4.251 4.251 4.131 0.120 25538 85 1 . 1 1 39 39 ALA C C 39 178.764 178.764 178.660 0.104 25538 86 1 . 1 1 39 39 ALA CA C 39 55.123 55.123 54.218 0.905 25538 87 1 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.578 -0.467 25538 88 1 . 1 1 39 39 ALA H H 39 7.951 7.951 8.098 -0.147 25538 89 1 . 1 1 40 40 ALA N N 40 118.164 118.164 118.811 -0.647 25538 90 1 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.328 0.093 25538 91 1 . 1 1 40 40 ALA C C 40 176.261 176.261 177.740 -1.479 25538 92 1 . 1 1 40 40 ALA CA C 40 52.136 52.136 53.009 -0.873 25538 93 1 . 1 1 40 40 ALA CB C 40 21.112 21.112 19.333 1.780 25538 94 1 . 1 1 40 40 ALA H H 40 7.647 7.647 8.046 -0.399 25538 95 1 . 1 1 41 41 GLY N N 41 103.894 103.894 104.270 -0.376 25538 96 1 . 1 1 41 41 GLY C C 41 174.412 174.412 174.259 0.153 25538 97 1 . 1 1 41 41 GLY CA C 41 44.854 44.854 44.618 0.236 25538 98 1 . 1 1 41 41 GLY H H 41 7.677 7.677 7.727 -0.050 25538 99 1 . 1 1 42 42 ALA N N 42 123.549 123.549 122.686 0.863 25538 100 1 . 1 1 42 42 ALA HA H 42 3.630 3.630 4.321 -0.691 25538 101 1 . 1 1 42 42 ALA C C 42 175.956 175.956 175.304 0.652 25538 102 1 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.599 1.081 25538 103 1 . 1 1 42 42 ALA CB C 42 19.233 19.233 20.111 -0.878 25538 104 1 . 1 1 42 42 ALA H H 42 7.559 7.559 7.603 -0.044 25538 105 1 . 1 1 43 43 GLN N N 43 117.516 117.516 117.332 0.184 25538 106 1 . 1 1 43 43 GLN HA H 43 4.378 4.378 3.677 0.701 25538 107 1 . 1 1 43 43 GLN C C 43 175.528 175.528 175.167 0.361 25538 108 1 . 1 1 43 43 GLN CA C 43 54.619 54.619 55.379 -0.760 25538 109 1 . 1 1 43 43 GLN CB C 43 32.196 32.196 30.863 1.334 25538 110 1 . 1 1 43 43 GLN H H 43 8.531 8.531 8.342 0.189 25538 111 1 . 1 1 44 44 GLY N N 44 108.084 108.084 111.871 -3.787 25538 112 1 . 1 1 44 44 GLY C C 44 174.073 174.073 174.331 -0.258 25538 113 1 . 1 1 44 44 GLY CA C 44 44.623 44.623 44.957 -0.334 25538 114 1 . 1 1 44 44 GLY H H 44 8.535 8.535 8.269 0.266 25538 115 1 . 1 1 45 45 GLU N N 45 114.485 114.485 120.802 -6.317 25538 116 1 . 1 1 45 45 GLU HA H 45 4.610 4.610 3.844 0.766 25538 117 1 . 1 1 45 45 GLU C C 45 174.007 174.007 174.710 -0.703 25538 118 1 . 1 1 45 45 GLU CA C 45 56.850 56.850 55.948 0.902 25538 119 1 . 1 1 45 45 GLU CB C 45 33.035 33.035 28.989 4.046 25538 120 1 . 1 1 45 45 GLU H H 45 8.293 8.293 8.658 -0.365 25538 121 1 . 1 1 46 46 MET N N 46 115.370 115.370 119.448 -4.078 25538 122 1 . 1 1 46 46 MET HA H 46 5.047 5.047 4.388 0.659 25538 123 1 . 1 1 46 46 MET C C 46 174.637 174.637 173.833 0.804 25538 124 1 . 1 1 46 46 MET CA C 46 54.239 54.239 54.547 -0.308 25538 125 1 . 1 1 46 46 MET CB C 46 35.727 35.727 33.677 2.050 25538 126 1 . 1 1 46 46 MET H H 46 6.871 6.871 7.066 -0.195 25538 127 1 . 1 1 47 47 PHE N N 47 118.922 118.922 120.795 -1.873 25538 128 1 . 1 1 47 47 PHE HA H 47 5.104 5.104 4.925 0.179 25538 129 1 . 1 1 47 47 PHE C C 47 175.742 175.742 174.788 0.954 25538 130 1 . 1 1 47 47 PHE CA C 47 57.365 57.365 54.933 2.433 25538 131 1 . 1 1 47 47 PHE CB C 47 46.882 46.882 40.376 6.506 25538 132 1 . 1 1 47 47 PHE H H 47 8.611 8.611 7.585 1.026 25538 133 1 . 1 1 48 48 THR N N 48 110.603 110.603 112.562 -1.959 25538 134 1 . 1 1 48 48 THR HA H 48 4.982 4.982 4.469 0.513 25538 135 1 . 1 1 48 48 THR C C 48 176.666 176.666 176.039 0.627 25538 136 1 . 1 1 48 48 THR CA C 48 61.021 61.021 60.404 0.618 25538 137 1 . 1 1 48 48 THR CB C 48 71.136 71.136 70.556 0.580 25538 138 1 . 1 1 48 48 THR H H 48 9.113 9.113 8.217 0.896 25538 139 1 . 1 1 49 49 VAL N N 49 121.595 121.595 121.600 -0.005 25538 140 1 . 1 1 49 49 VAL HA H 49 3.393 3.393 3.657 -0.264 25538 141 1 . 1 1 49 49 VAL C C 49 177.726 177.726 177.553 0.173 25538 142 1 . 1 1 49 49 VAL CA C 49 68.209 68.209 66.757 1.452 25538 143 1 . 1 1 49 49 VAL CB C 49 31.361 31.361 31.757 -0.396 25538 144 1 . 1 1 49 49 VAL H H 49 9.074 9.074 8.935 0.139 25538 145 1 . 1 1 50 50 LYS N N 50 118.504 118.504 118.248 0.256 25538 146 1 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.993 -0.034 25538 147 1 . 1 1 50 50 LYS C C 50 180.060 180.060 178.950 1.110 25538 148 1 . 1 1 50 50 LYS CA C 50 59.920 59.920 59.841 0.079 25538 149 1 . 1 1 50 50 LYS CB C 50 32.807 32.807 31.755 1.052 25538 150 1 . 1 1 50 50 LYS H H 50 8.131 8.131 8.479 -0.348 25538 151 1 . 1 1 51 51 GLU N N 51 119.547 119.547 119.564 -0.017 25538 152 1 . 1 1 51 51 GLU HA H 51 4.038 4.038 4.161 -0.123 25538 153 1 . 1 1 51 51 GLU C C 51 178.583 178.583 178.848 -0.265 25538 154 1 . 1 1 51 51 GLU CA C 51 59.856 59.856 58.699 1.157 25538 155 1 . 1 1 51 51 GLU CB C 51 31.402 31.402 29.707 1.695 25538 156 1 . 1 1 51 51 GLU H H 51 7.882 7.882 7.820 0.061 25538 157 1 . 1 1 52 52 VAL N N 52 119.078 119.078 121.427 -2.349 25538 158 1 . 1 1 52 52 VAL HA H 52 3.254 3.254 3.619 -0.365 25538 159 1 . 1 1 52 52 VAL C C 52 177.546 177.546 178.509 -0.963 25538 160 1 . 1 1 52 52 VAL CA C 52 67.861 67.861 66.891 0.970 25538 161 1 . 1 1 52 52 VAL CB C 52 31.231 31.231 31.583 -0.352 25538 162 1 . 1 1 52 52 VAL H H 52 8.258 8.258 8.766 -0.508 25538 163 1 . 1 1 53 53 MET N N 53 114.606 114.606 116.606 -2.000 25538 164 1 . 1 1 53 53 MET HA H 53 4.231 4.231 4.177 0.054 25538 165 1 . 1 1 53 53 MET C C 53 178.640 178.640 178.486 0.154 25538 166 1 . 1 1 53 53 MET CA C 53 57.902 57.902 57.025 0.877 25538 167 1 . 1 1 53 53 MET CB C 53 32.640 32.640 30.765 1.875 25538 168 1 . 1 1 53 53 MET H H 53 8.201 8.201 8.490 -0.289 25538 169 1 . 1 1 54 54 HIS N N 54 118.707 118.707 121.043 -2.336 25538 170 1 . 1 1 54 54 HIS HA H 54 4.146 4.146 4.107 0.039 25538 171 1 . 1 1 54 54 HIS C C 54 178.531 178.531 177.454 1.077 25538 172 1 . 1 1 54 54 HIS CA C 54 60.012 60.012 60.643 -0.631 25538 173 1 . 1 1 54 54 HIS CB C 54 30.160 30.160 29.719 0.441 25538 174 1 . 1 1 54 54 HIS H H 54 8.122 8.122 7.731 0.391 25538 175 1 . 1 1 55 55 TYR N N 55 116.875 116.875 118.084 -1.209 25538 176 1 . 1 1 55 55 TYR HA H 55 3.868 3.868 4.084 -0.216 25538 177 1 . 1 1 55 55 TYR CA C 55 63.737 63.737 61.585 2.152 25538 178 1 . 1 1 55 55 TYR CB C 55 39.034 39.034 37.651 1.383 25538 179 1 . 1 1 55 55 TYR H H 55 8.480 8.480 8.456 0.024 25538 180 1 . 1 1 56 56 LEU N N 56 120.976 120.976 120.183 0.793 25538 181 1 . 1 1 56 56 LEU HA H 56 3.831 3.831 3.925 -0.094 25538 182 1 . 1 1 56 56 LEU CA C 56 58.363 58.363 58.044 0.319 25538 183 1 . 1 1 56 56 LEU CB C 56 42.392 42.392 41.504 0.888 25538 184 1 . 1 1 56 56 LEU H H 56 8.452 8.452 8.355 0.097 25538 185 1 . 1 1 57 57 GLY N N 57 105.050 105.050 106.674 -1.624 25538 186 1 . 1 1 57 57 GLY CA C 57 47.146 47.146 47.174 -0.028 25538 187 1 . 1 1 57 57 GLY H H 57 7.710 7.710 8.554 -0.844 25538 188 1 . 1 1 58 58 GLN N N 58 119.017 119.017 122.071 -3.054 25538 189 1 . 1 1 58 58 GLN HA H 58 3.827 3.827 3.883 -0.056 25538 190 1 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.800 -0.122 25538 191 1 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.319 0.556 25538 192 1 . 1 1 58 58 GLN H H 58 7.649 7.649 8.096 -0.447 25538 193 1 . 1 1 59 59 TYR N N 59 120.995 120.995 121.566 -0.571 25538 194 1 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.166 -0.362 25538 195 1 . 1 1 59 59 TYR C C 59 176.215 176.215 177.574 -1.359 25538 196 1 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.075 0.490 25538 197 1 . 1 1 59 59 TYR CB C 59 38.603 38.603 38.563 0.041 25538 198 1 . 1 1 59 59 TYR H H 59 8.500 8.500 8.299 0.201 25538 199 1 . 1 1 60 60 ILE N N 60 116.781 116.781 120.030 -3.249 25538 200 1 . 1 1 60 60 ILE HA H 60 3.275 3.275 3.596 -0.321 25538 201 1 . 1 1 60 60 ILE C C 60 177.952 177.952 178.245 -0.293 25538 202 1 . 1 1 60 60 ILE CA C 60 65.670 65.670 65.811 -0.141 25538 203 1 . 1 1 60 60 ILE CB C 60 38.558 38.558 37.911 0.647 25538 204 1 . 1 1 60 60 ILE H H 60 7.612 7.612 8.528 -0.916 25538 205 1 . 1 1 61 61 MET N N 61 115.626 115.626 118.087 -2.461 25538 206 1 . 1 1 61 61 MET HA H 61 4.529 4.529 4.172 0.357 25538 207 1 . 1 1 61 61 MET C C 61 180.579 180.579 178.580 1.999 25538 208 1 . 1 1 61 61 MET CA C 61 57.662 57.662 58.031 -0.369 25538 209 1 . 1 1 61 61 MET CB C 61 31.449 31.449 31.813 -0.364 25538 210 1 . 1 1 61 61 MET H H 61 7.717 7.717 8.046 -0.329 25538 211 1 . 1 1 62 62 VAL N N 62 120.907 120.907 118.848 2.059 25538 212 1 . 1 1 62 62 VAL HA H 62 3.829 3.829 3.760 0.069 25538 213 1 . 1 1 62 62 VAL C C 62 178.786 178.786 177.885 0.901 25538 214 1 . 1 1 62 62 VAL CA C 62 66.001 66.001 65.417 0.584 25538 215 1 . 1 1 62 62 VAL CB C 62 31.983 31.983 31.860 0.123 25538 216 1 . 1 1 62 62 VAL H H 62 9.021 9.021 8.217 0.804 25538 217 1 . 1 1 63 63 LYS N N 63 116.704 116.704 117.968 -1.264 25538 218 1 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.200 -0.143 25538 219 1 . 1 1 63 63 LYS C C 63 174.784 174.784 175.894 -1.110 25538 220 1 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.611 0.472 25538 221 1 . 1 1 63 63 LYS CB C 63 31.332 31.332 32.446 -1.114 25538 222 1 . 1 1 63 63 LYS H H 63 7.824 7.824 7.959 -0.135 25538 223 1 . 1 1 64 64 GLN N N 64 115.371 115.371 114.191 1.180 25538 224 1 . 1 1 64 64 GLN HA H 64 3.621 3.621 4.191 -0.570 25538 225 1 . 1 1 64 64 GLN C C 64 175.550 175.550 175.659 -0.109 25538 226 1 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.319 0.660 25538 227 1 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.949 0.299 25538 228 1 . 1 1 64 64 GLN H H 64 7.653 7.653 8.129 -0.476 25538 229 1 . 1 1 65 65 LEU N N 65 115.332 115.332 120.684 -5.352 25538 230 1 . 1 1 65 65 LEU HA H 65 4.435 4.435 4.591 -0.156 25538 231 1 . 1 1 65 65 LEU C C 65 175.979 175.979 175.625 0.354 25538 232 1 . 1 1 65 65 LEU CA C 65 54.601 54.601 53.927 0.674 25538 233 1 . 1 1 65 65 LEU CB C 65 41.936 41.936 40.561 1.375 25538 234 1 . 1 1 65 65 LEU H H 65 8.059 8.059 8.217 -0.159 25538 235 1 . 1 1 66 66 TYR N N 66 113.240 113.240 115.021 -1.781 25538 236 1 . 1 1 66 66 TYR HA H 66 5.260 5.260 5.074 0.186 25538 237 1 . 1 1 66 66 TYR C C 66 174.107 174.107 173.828 0.279 25538 238 1 . 1 1 66 66 TYR CA C 66 54.674 54.674 55.076 -0.402 25538 239 1 . 1 1 66 66 TYR CB C 66 39.759 39.759 40.885 -1.126 25538 240 1 . 1 1 66 66 TYR H H 66 6.845 6.845 7.306 -0.461 25538 241 1 . 1 1 67 67 ASP N N 67 122.255 122.255 120.994 1.261 25538 242 1 . 1 1 67 67 ASP HA H 67 4.435 4.435 4.850 -0.415 25538 243 1 . 1 1 67 67 ASP C C 67 176.779 176.779 176.913 -0.134 25538 244 1 . 1 1 67 67 ASP CA C 67 53.786 53.786 52.882 0.904 25538 245 1 . 1 1 67 67 ASP CB C 67 43.359 43.359 43.897 -0.538 25538 246 1 . 1 1 67 67 ASP H H 67 8.341 8.341 8.248 0.093 25538 247 1 . 1 1 68 68 GLN N N 68 123.090 123.090 123.880 -0.790 25538 248 1 . 1 1 68 68 GLN HA H 68 3.881 3.881 4.170 -0.289 25538 249 1 . 1 1 68 68 GLN C C 68 177.122 177.122 176.543 0.579 25538 250 1 . 1 1 68 68 GLN CA C 68 58.889 58.889 57.943 0.946 25538 251 1 . 1 1 68 68 GLN CB C 68 29.065 29.065 28.525 0.540 25538 252 1 . 1 1 68 68 GLN H H 68 8.552 8.552 8.705 -0.153 25538 253 1 . 1 1 69 69 GLN N N 69 115.295 115.295 119.061 -3.766 25538 254 1 . 1 1 69 69 GLN HA H 69 4.339 4.339 4.453 -0.114 25538 255 1 . 1 1 69 69 GLN C C 69 176.272 176.272 176.833 -0.561 25538 256 1 . 1 1 69 69 GLN CA C 69 56.935 56.935 56.622 0.313 25538 257 1 . 1 1 69 69 GLN CB C 69 29.916 29.916 30.511 -0.595 25538 258 1 . 1 1 69 69 GLN H H 69 8.347 8.347 8.519 -0.172 25538 259 1 . 1 1 70 70 GLU N N 70 122.341 122.341 122.232 0.109 25538 260 1 . 1 1 70 70 GLU HA H 70 4.491 4.491 4.503 -0.012 25538 261 1 . 1 1 70 70 GLU C C 70 175.832 175.832 176.344 -0.512 25538 262 1 . 1 1 70 70 GLU CA C 70 55.086 55.086 55.086 -0.001 25538 263 1 . 1 1 70 70 GLU CB C 70 29.538 29.538 28.217 1.321 25538 264 1 . 1 1 70 70 GLU H H 70 8.237 8.237 8.690 -0.453 25538 265 1 . 1 1 71 71 GLN N N 71 119.185 119.185 118.920 0.265 25538 266 1 . 1 1 71 71 GLN HA H 71 4.501 4.501 4.314 0.187 25538 267 1 . 1 1 71 71 GLN C C 71 173.848 173.848 176.282 -2.434 25538 268 1 . 1 1 71 71 GLN CA C 71 59.800 59.800 58.031 1.769 25538 269 1 . 1 1 71 71 GLN CB C 71 28.182 28.182 28.911 -0.729 25538 270 1 . 1 1 71 71 GLN H H 71 8.206 8.206 7.756 0.450 25538 271 1 . 1 1 72 72 HIS N N 72 109.549 109.549 112.015 -2.466 25538 272 1 . 1 1 72 72 HIS HA H 72 4.180 4.180 4.525 -0.345 25538 273 1 . 1 1 72 72 HIS C C 72 175.790 175.790 174.383 1.407 25538 274 1 . 1 1 72 72 HIS CA C 72 56.281 56.281 55.216 1.065 25538 275 1 . 1 1 72 72 HIS CB C 72 31.075 31.075 29.684 1.391 25538 276 1 . 1 1 72 72 HIS H H 72 7.383 7.383 8.032 -0.649 25538 277 1 . 1 1 73 73 MET N N 73 119.174 119.174 120.607 -1.433 25538 278 1 . 1 1 73 73 MET HA H 73 4.570 4.570 4.705 -0.135 25538 279 1 . 1 1 73 73 MET C C 73 174.242 174.242 173.954 0.288 25538 280 1 . 1 1 73 73 MET CA C 73 53.027 53.027 53.868 -0.841 25538 281 1 . 1 1 73 73 MET CB C 73 31.709 31.709 34.513 -2.804 25538 282 1 . 1 1 73 73 MET H H 73 7.655 7.655 7.487 0.168 25538 283 1 . 1 1 74 74 VAL N N 74 122.522 122.522 125.634 -3.112 25538 284 1 . 1 1 74 74 VAL HA H 74 3.923 3.923 4.206 -0.283 25538 285 1 . 1 1 74 74 VAL C C 74 174.851 174.851 174.424 0.427 25538 286 1 . 1 1 74 74 VAL CA C 74 61.394 61.394 61.029 0.365 25538 287 1 . 1 1 74 74 VAL CB C 74 32.787 32.787 32.429 0.358 25538 288 1 . 1 1 74 74 VAL H H 74 8.443 8.443 8.651 -0.208 25538 289 1 . 1 1 75 75 TYR N N 75 125.773 125.773 124.897 0.876 25538 290 1 . 1 1 75 75 TYR HA H 75 4.752 4.752 5.063 -0.311 25538 291 1 . 1 1 75 75 TYR C C 75 174.923 174.923 176.328 -1.405 25538 292 1 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.668 1.144 25538 293 1 . 1 1 75 75 TYR CB C 75 38.633 38.633 38.252 0.381 25538 294 1 . 1 1 75 75 TYR H H 75 8.256 8.256 8.926 -0.670 25538 295 1 . 1 1 76 76 CYS N N 76 116.702 116.702 121.717 -5.015 25538 296 1 . 1 1 76 76 CYS HA H 76 4.747 4.747 4.541 0.206 25538 297 1 . 1 1 76 76 CYS C C 76 174.231 174.231 176.632 -2.401 25538 298 1 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.123 -3.020 25538 299 1 . 1 1 76 76 CYS CB C 76 29.589 29.589 26.322 3.267 25538 300 1 . 1 1 76 76 CYS H H 76 8.266 8.266 8.483 -0.217 25538 301 1 . 1 1 77 77 GLY N N 77 111.675 111.675 110.607 1.068 25538 302 1 . 1 1 77 77 GLY C C 77 174.662 174.662 174.871 -0.209 25538 303 1 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.861 0.288 25538 304 1 . 1 1 77 77 GLY H H 77 8.483 8.483 7.972 0.511 25538 305 1 . 1 1 78 78 GLY N N 78 113.022 113.022 107.851 5.171 25538 306 1 . 1 1 78 78 GLY C C 78 172.811 172.811 173.509 -0.698 25538 307 1 . 1 1 78 78 GLY CA C 78 45.752 45.752 44.417 1.335 25538 308 1 . 1 1 78 78 GLY H H 78 8.892 8.892 8.135 0.757 25538 309 1 . 1 1 79 79 ASP N N 79 119.457 119.457 121.037 -1.580 25538 310 1 . 1 1 79 79 ASP HA H 79 4.892 4.892 4.854 0.038 25538 311 1 . 1 1 79 79 ASP C C 79 176.302 176.302 177.202 -0.900 25538 312 1 . 1 1 79 79 ASP CA C 79 53.047 53.047 53.514 -0.467 25538 313 1 . 1 1 79 79 ASP CB C 79 47.271 47.271 43.417 3.854 25538 314 1 . 1 1 79 79 ASP H H 79 7.795 7.795 7.854 -0.059 25538 315 1 . 1 1 80 80 LEU N N 80 128.421 128.421 125.619 2.802 25538 316 1 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.111 -0.047 25538 317 1 . 1 1 80 80 LEU C C 80 179.059 179.059 178.389 0.670 25538 318 1 . 1 1 80 80 LEU CA C 80 58.523 58.523 57.913 0.610 25538 319 1 . 1 1 80 80 LEU CB C 80 42.647 42.647 42.101 0.546 25538 320 1 . 1 1 80 80 LEU H H 80 8.549 8.549 8.835 -0.286 25538 321 1 . 1 1 81 81 LEU N N 81 118.678 118.678 120.052 -1.374 25538 322 1 . 1 1 81 81 LEU HA H 81 3.867 3.867 4.066 -0.199 25538 323 1 . 1 1 81 81 LEU C C 81 178.542 178.542 178.526 0.016 25538 324 1 . 1 1 81 81 LEU CA C 81 58.526 58.526 58.218 0.308 25538 325 1 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.300 1.349 25538 326 1 . 1 1 81 81 LEU H H 81 9.974 9.974 8.958 1.016 25538 327 1 . 1 1 82 82 GLY N N 82 105.642 105.642 106.082 -0.440 25538 328 1 . 1 1 82 82 GLY C C 82 176.907 176.907 176.466 0.441 25538 329 1 . 1 1 82 82 GLY CA C 82 47.993 47.993 47.199 0.794 25538 330 1 . 1 1 82 82 GLY H H 82 7.543 7.543 7.943 -0.400 25538 331 1 . 1 1 83 83 GLU N N 83 121.762 121.762 122.327 -0.565 25538 332 1 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.072 -0.090 25538 333 1 . 1 1 83 83 GLU C C 83 179.215 179.215 179.282 -0.067 25538 334 1 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.362 -0.201 25538 335 1 . 1 1 83 83 GLU CB C 83 29.471 29.471 29.445 0.026 25538 336 1 . 1 1 83 83 GLU H H 83 7.537 7.537 8.222 -0.685 25538 337 1 . 1 1 84 84 LEU N N 84 118.478 118.478 119.032 -0.554 25538 338 1 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.116 -0.092 25538 339 1 . 1 1 84 84 LEU C C 84 178.842 178.842 178.922 -0.080 25538 340 1 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.069 0.406 25538 341 1 . 1 1 84 84 LEU CB C 84 42.392 42.392 41.857 0.535 25538 342 1 . 1 1 84 84 LEU H H 84 7.717 7.717 8.195 -0.478 25538 343 1 . 1 1 85 85 LEU N N 85 115.268 115.268 113.940 1.328 25538 344 1 . 1 1 85 85 LEU HA H 85 3.777 3.777 4.204 -0.426 25538 345 1 . 1 1 85 85 LEU C C 85 177.773 177.773 177.876 -0.103 25538 346 1 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.280 0.095 25538 347 1 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.474 1.418 25538 348 1 . 1 1 85 85 LEU H H 85 8.091 8.091 8.016 0.075 25538 349 1 . 1 1 86 86 GLY N N 86 107.339 107.339 106.767 0.572 25538 350 1 . 1 1 86 86 GLY C C 86 174.143 174.143 174.343 -0.200 25538 351 1 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.028 1.287 25538 352 1 . 1 1 86 86 GLY H H 86 7.993 7.993 8.054 -0.061 25538 353 1 . 1 1 87 87 ARG N N 87 113.292 113.292 119.946 -6.654 25538 354 1 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.633 0.021 25538 355 1 . 1 1 87 87 ARG C C 87 174.720 174.720 175.436 -0.716 25538 356 1 . 1 1 87 87 ARG CA C 87 54.160 54.160 55.003 -0.843 25538 357 1 . 1 1 87 87 ARG CB C 87 34.456 34.456 32.420 2.036 25538 358 1 . 1 1 87 87 ARG H H 87 7.407 7.407 7.499 -0.092 25538 359 1 . 1 1 88 88 GLN N N 88 116.042 116.042 122.097 -6.055 25538 360 1 . 1 1 88 88 GLN HA H 88 4.046 4.046 4.364 -0.318 25538 361 1 . 1 1 88 88 GLN C C 88 175.946 175.946 174.856 1.090 25538 362 1 . 1 1 88 88 GLN CA C 88 57.175 57.175 57.251 -0.076 25538 363 1 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.360 0.430 25538 364 1 . 1 1 88 88 GLN H H 88 8.660 8.660 8.710 -0.050 25538 365 1 . 1 1 89 89 SER N N 89 110.533 110.533 110.563 -0.030 25538 366 1 . 1 1 89 89 SER HA H 89 5.431 5.431 4.916 0.515 25538 367 1 . 1 1 89 89 SER C C 89 173.062 173.062 173.068 -0.006 25538 368 1 . 1 1 89 89 SER CA C 89 57.019 57.019 56.528 0.491 25538 369 1 . 1 1 89 89 SER CB C 89 66.577 66.577 65.802 0.775 25538 370 1 . 1 1 89 89 SER H H 89 7.620 7.620 7.463 0.157 25538 371 1 . 1 1 90 90 PHE N N 90 115.219 115.219 117.377 -2.158 25538 372 1 . 1 1 90 90 PHE HA H 90 4.695 4.695 4.896 -0.201 25538 373 1 . 1 1 90 90 PHE C C 90 175.233 175.233 172.611 2.622 25538 374 1 . 1 1 90 90 PHE CA C 90 57.095 57.095 56.813 0.283 25538 375 1 . 1 1 90 90 PHE CB C 90 40.346 40.346 40.376 -0.030 25538 376 1 . 1 1 90 90 PHE H H 90 8.557 8.557 7.707 0.850 25538 377 1 . 1 1 91 91 SER N N 91 113.681 113.681 114.549 -0.868 25538 378 1 . 1 1 91 91 SER HA H 91 5.391 5.391 5.138 0.253 25538 379 1 . 1 1 91 91 SER CA C 91 54.564 54.564 55.252 -0.688 25538 380 1 . 1 1 91 91 SER CB C 91 65.366 65.366 66.095 -0.729 25538 381 1 . 1 1 91 91 SER H H 91 9.006 9.006 8.355 0.651 25538 382 1 . 1 1 92 92 VAL N N 92 121.388 121.388 122.763 -1.375 25538 383 1 . 1 1 92 92 VAL HA H 92 3.943 3.943 3.938 0.005 25538 384 1 . 1 1 92 92 VAL CA C 92 64.195 64.195 64.872 -0.677 25538 385 1 . 1 1 92 92 VAL CB C 92 31.231 31.231 31.866 -0.634 25538 386 1 . 1 1 92 92 VAL H H 92 8.983 8.983 8.894 0.089 25538 387 1 . 1 1 93 93 LYS N N 93 116.161 116.161 118.226 -2.065 25538 388 1 . 1 1 93 93 LYS HA H 93 3.983 3.983 4.345 -0.362 25538 389 1 . 1 1 93 93 LYS C C 93 177.088 177.088 176.222 0.866 25538 390 1 . 1 1 93 93 LYS CA C 93 57.181 57.181 56.870 0.311 25538 391 1 . 1 1 93 93 LYS CB C 93 32.124 32.124 32.908 -0.784 25538 392 1 . 1 1 93 93 LYS H H 93 8.078 8.078 7.669 0.409 25538 393 1 . 1 1 94 94 ASP N N 94 115.406 115.406 119.150 -3.744 25538 394 1 . 1 1 94 94 ASP HA H 94 4.949 4.949 5.031 -0.082 25538 395 1 . 1 1 94 94 ASP CA C 94 51.557 51.557 51.645 -0.088 25538 396 1 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.660 -0.215 25538 397 1 . 1 1 94 94 ASP H H 94 7.385 7.385 7.836 -0.451 25538 398 1 . 1 1 95 95 PRO HA H 95 4.437 4.437 4.732 -0.295 25538 399 1 . 1 1 95 95 PRO CA C 95 63.889 63.889 63.407 0.482 25538 400 1 . 1 1 95 95 PRO CB C 95 32.760 32.760 31.703 1.057 25538 401 1 . 1 1 96 96 SER N N 96 118.819 118.819 117.299 1.520 25538 402 1 . 1 1 96 96 SER HA H 96 4.220 4.220 4.277 -0.056 25538 403 1 . 1 1 96 96 SER CA C 96 64.406 64.406 63.771 0.635 25538 404 1 . 1 1 96 96 SER CB C 96 61.862 61.862 61.336 0.526 25538 405 1 . 1 1 96 96 SER H H 96 8.104 8.104 8.135 -0.031 25538 406 1 . 1 1 97 97 PRO HA H 97 4.349 4.349 4.368 -0.019 25538 407 1 . 1 1 97 97 PRO CA C 97 65.911 65.911 65.183 0.728 25538 408 1 . 1 1 97 97 PRO CB C 97 31.495 31.495 31.409 0.086 25538 409 1 . 1 1 98 98 LEU N N 98 118.063 118.063 120.821 -2.758 25538 410 1 . 1 1 98 98 LEU HA H 98 3.603 3.603 3.781 -0.178 25538 411 1 . 1 1 98 98 LEU CA C 98 57.101 57.101 57.652 -0.551 25538 412 1 . 1 1 98 98 LEU CB C 98 41.396 41.396 41.330 0.066 25538 413 1 . 1 1 98 98 LEU H H 98 7.087 7.087 7.255 -0.168 25538 414 1 . 1 1 99 99 TYR N N 99 118.063 118.063 118.426 -0.363 25538 415 1 . 1 1 99 99 TYR HA H 99 4.144 4.144 4.031 0.113 25538 416 1 . 1 1 99 99 TYR C C 99 178.914 178.914 178.019 0.895 25538 417 1 . 1 1 99 99 TYR CA C 99 61.268 61.268 62.172 -0.904 25538 418 1 . 1 1 99 99 TYR CB C 99 36.968 36.968 37.822 -0.854 25538 419 1 . 1 1 99 99 TYR H H 99 7.594 7.594 8.513 -0.919 25538 420 1 . 1 1 100 100 ASP N N 100 119.682 119.682 119.882 -0.200 25538 421 1 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.323 0.003 25538 422 1 . 1 1 100 100 ASP C C 100 177.737 177.737 178.276 -0.538 25538 423 1 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.292 0.583 25538 424 1 . 1 1 100 100 ASP CB C 100 41.088 41.088 40.895 0.194 25538 425 1 . 1 1 100 100 ASP H H 100 8.315 8.315 8.003 0.312 25538 426 1 . 1 1 101 101 MET N N 101 118.784 118.784 118.576 0.208 25538 427 1 . 1 1 101 101 MET HA H 101 3.969 3.969 4.101 -0.132 25538 428 1 . 1 1 101 101 MET C C 101 180.080 180.080 177.942 2.138 25538 429 1 . 1 1 101 101 MET CA C 101 59.420 59.420 58.611 0.809 25538 430 1 . 1 1 101 101 MET CB C 101 31.642 31.642 32.304 -0.662 25538 431 1 . 1 1 101 101 MET H H 101 7.245 7.245 7.841 -0.596 25538 432 1 . 1 1 102 102 LEU N N 102 121.572 121.572 120.280 1.292 25538 433 1 . 1 1 102 102 LEU HA H 102 3.701 3.701 3.853 -0.152 25538 434 1 . 1 1 102 102 LEU C C 102 178.566 178.566 179.272 -0.706 25538 435 1 . 1 1 102 102 LEU CA C 102 58.743 58.743 57.717 1.026 25538 436 1 . 1 1 102 102 LEU CB C 102 41.446 41.446 41.321 0.125 25538 437 1 . 1 1 102 102 LEU H H 102 8.471 8.471 8.207 0.263 25538 438 1 . 1 1 103 103 ARG N N 103 117.180 117.180 115.761 1.419 25538 439 1 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.097 -0.127 25538 440 1 . 1 1 103 103 ARG C C 103 178.818 178.818 177.512 1.306 25538 441 1 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.653 0.850 25538 442 1 . 1 1 103 103 ARG CB C 103 30.216 30.216 30.277 -0.061 25538 443 1 . 1 1 103 103 ARG H H 103 7.933 7.933 8.080 -0.147 25538 444 1 . 1 1 104 104 LYS N N 104 114.206 114.206 115.822 -1.616 25538 445 1 . 1 1 104 104 LYS HA H 104 4.216 4.216 4.375 -0.159 25538 446 1 . 1 1 104 104 LYS C C 104 177.556 177.556 176.482 1.074 25538 447 1 . 1 1 104 104 LYS CA C 104 57.753 57.753 57.036 0.717 25538 448 1 . 1 1 104 104 LYS CB C 104 34.100 34.100 32.879 1.221 25538 449 1 . 1 1 104 104 LYS H H 104 7.171 7.171 7.489 -0.318 25538 450 1 . 1 1 105 105 ASN N N 105 114.097 114.097 117.704 -3.607 25538 451 1 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.855 -0.124 25538 452 1 . 1 1 105 105 ASN C C 105 172.822 172.822 175.333 -2.511 25538 453 1 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.528 0.315 25538 454 1 . 1 1 105 105 ASN CB C 105 42.341 42.341 40.873 1.468 25538 455 1 . 1 1 105 105 ASN H H 105 7.661 7.661 7.823 -0.162 25538 456 1 . 1 1 106 106 LEU N N 106 118.656 118.656 118.831 -0.175 25538 457 1 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.719 -0.048 25538 458 1 . 1 1 106 106 LEU C C 106 175.658 175.658 177.797 -2.139 25538 459 1 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.580 -0.422 25538 460 1 . 1 1 106 106 LEU CB C 106 43.610 43.610 43.365 0.245 25538 461 1 . 1 1 106 106 LEU H H 106 7.440 7.440 8.165 -0.725 25538 462 1 . 1 1 107 107 VAL N N 107 122.765 122.765 117.418 5.347 25538 463 1 . 1 1 107 107 VAL HA H 107 4.214 4.214 4.154 0.060 25538 464 1 . 1 1 107 107 VAL C C 107 176.054 176.054 175.599 0.455 25538 465 1 . 1 1 107 107 VAL CA C 107 62.143 62.143 62.159 -0.016 25538 466 1 . 1 1 107 107 VAL CB C 107 33.556 33.556 30.526 3.030 25538 467 1 . 1 1 107 107 VAL H H 107 8.158 8.158 8.144 0.014 25538 468 1 . 1 1 108 108 THR N N 108 120.921 120.921 115.947 4.974 25538 469 1 . 1 1 108 108 THR HA H 108 4.332 4.332 4.034 0.298 25538 470 1 . 1 1 108 108 THR C C 108 174.216 174.216 173.925 0.291 25538 471 1 . 1 1 108 108 THR CA C 108 62.726 62.726 63.420 -0.694 25538 472 1 . 1 1 108 108 THR CB C 108 69.777 69.777 68.173 1.604 25538 473 1 . 1 1 108 108 THR H H 108 8.524 8.524 8.045 0.479 25538 474 1 . 1 1 109 109 LEU N N 109 125.518 125.518 124.248 1.270 25538 475 1 . 1 1 109 109 LEU HA H 109 4.355 4.355 4.441 -0.086 25538 476 1 . 1 1 109 109 LEU C C 109 176.523 176.523 175.858 0.665 25538 477 1 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.424 0.623 25538 478 1 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.567 0.023 25538 479 1 . 1 1 109 109 LEU H H 109 8.312 8.312 8.103 0.209 25538 480 1 . 1 1 110 110 ALA N N 110 125.099 125.099 125.785 -0.686 25538 481 1 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.731 -0.365 25538 482 1 . 1 1 110 110 ALA C C 110 176.847 176.847 175.844 1.003 25538 483 1 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.829 0.799 25538 484 1 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.052 -1.346 25538 485 1 . 1 1 110 110 ALA H H 110 8.257 8.257 8.169 0.088 25538 stop_ save_