data_25855 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25855 _Entry.PDB_ID 2N8M 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 25855 _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 22 22 GLN H H 22 8.152 8.152 7.821 0.331 25855 2 1 1 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.188 0.388 25855 3 1 1 . 1 1 23 23 GLU CA C 23 55.105 55.105 57.306 -2.201 25855 4 1 1 . 1 1 23 23 GLU CB C 23 32.431 32.431 29.751 2.680 25855 5 1 1 . 1 1 23 23 GLU H H 23 7.926 7.926 8.746 -0.820 25855 6 1 1 . 1 1 24 24 THR HA H 24 5.298 5.298 5.341 -0.043 25855 7 1 1 . 1 1 24 24 THR CA C 24 62.286 62.286 61.522 0.764 25855 8 1 1 . 1 1 24 24 THR CB C 24 70.759 70.759 69.560 1.199 25855 9 1 1 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.889 -0.454 25855 10 1 1 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.476 1.145 25855 11 1 1 . 1 1 25 25 VAL CB C 25 35.023 35.023 33.759 1.264 25855 12 1 1 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.608 -0.069 25855 13 1 1 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.685 -2.543 25855 14 1 1 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.879 -0.162 25855 15 1 1 . 1 1 27 27 VAL CA C 27 60.635 60.635 58.925 1.710 25855 16 1 1 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.696 -0.458 25855 17 1 1 . 1 1 27 27 VAL H H 27 9.339 9.339 7.938 1.401 25855 18 1 1 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.643 -0.732 25855 19 1 1 . 1 1 28 28 PHE CA C 28 57.725 57.725 54.501 3.224 25855 20 1 1 . 1 1 28 28 PHE CB C 28 38.909 38.909 41.695 -2.786 25855 21 1 1 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.879 0.007 25855 22 1 1 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.380 -0.266 25855 23 1 1 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.912 -0.997 25855 24 1 1 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.375 0.133 25855 25 1 1 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.192 -0.283 25855 26 1 1 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.797 0.044 25855 27 1 1 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.918 -0.325 25855 28 1 1 . 1 1 31 31 ALA CA C 31 55.496 55.496 55.203 0.293 25855 29 1 1 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.762 -0.692 25855 30 1 1 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.012 0.171 25855 31 1 1 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.727 -0.386 25855 32 1 1 . 1 1 32 32 GLN CB C 32 27.867 27.867 27.977 -0.110 25855 33 1 1 . 1 1 33 33 ALA HA H 33 3.958 3.958 3.969 -0.011 25855 34 1 1 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.381 -2.965 25855 35 1 1 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.403 0.681 25855 36 1 1 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.582 -0.696 25855 37 1 1 . 1 1 34 34 VAL CA C 34 67.342 67.342 66.272 1.070 25855 38 1 1 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.233 0.289 25855 39 1 1 . 1 1 35 35 GLY CA C 35 46.899 46.899 46.981 -0.083 25855 40 1 1 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.344 -1.351 25855 41 1 1 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.563 -1.325 25855 42 1 1 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.661 -0.414 25855 43 1 1 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.816 -0.365 25855 44 1 1 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.529 -3.012 25855 45 1 1 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.840 -2.530 25855 46 1 1 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.066 -0.177 25855 47 1 1 . 1 1 38 38 ILE CA C 38 64.581 64.581 61.417 3.163 25855 48 1 1 . 1 1 38 38 ILE CB C 38 38.840 38.840 36.413 2.426 25855 49 1 1 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.291 0.862 25855 50 1 1 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.106 0.474 25855 51 1 1 . 1 1 40 40 LYS CA C 40 58.370 58.370 56.979 1.391 25855 52 1 1 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.202 0.598 25855 53 1 1 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.231 0.111 25855 54 1 1 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.138 -2.905 25855 55 1 1 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.861 0.027 25855 56 1 1 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.194 1.444 25855 57 1 1 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.912 -0.662 25855 58 1 1 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.024 0.113 25855 59 1 1 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.953 0.650 25855 60 1 1 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.978 0.492 25855 61 1 1 . 1 1 47 47 GLN HA H 47 4.034 4.034 3.976 0.058 25855 62 1 1 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.179 -0.137 25855 63 1 1 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.431 0.654 25855 64 1 1 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.291 1.080 25855 65 1 1 . 1 1 49 49 SER HA H 49 4.183 4.183 4.283 -0.100 25855 66 1 1 . 1 1 49 49 SER CA C 49 61.932 61.932 61.715 0.217 25855 67 1 1 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.217 -0.058 25855 68 1 1 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.137 0.294 25855 69 1 1 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.723 0.429 25855 70 1 1 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.200 0.122 25855 71 1 1 . 1 1 51 51 PHE CA C 51 59.819 59.819 61.096 -1.277 25855 72 1 1 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.301 0.224 25855 73 1 1 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.247 -0.484 25855 74 1 1 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.744 -0.366 25855 75 1 1 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.145 0.233 25855 76 1 1 . 1 1 52 52 ALA H H 52 8.465 8.465 8.528 -0.063 25855 77 1 1 . 1 1 53 53 SER CB C 53 61.826 61.826 60.651 1.175 25855 78 1 1 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.806 0.126 25855 79 1 1 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.907 -1.774 25855 80 1 1 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.755 0.643 25855 81 1 1 . 1 1 55 55 SER HA H 55 4.766 4.766 4.835 -0.069 25855 82 1 1 . 1 1 55 55 SER CB C 55 63.541 63.541 63.413 0.128 25855 83 1 1 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.478 0.514 25855 84 1 1 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.971 0.221 25855 85 1 1 . 1 1 56 56 ILE CB C 56 40.511 40.511 37.149 3.362 25855 86 1 1 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.752 0.002 25855 87 1 1 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.621 0.034 25855 88 1 1 . 1 1 57 57 LYS CB C 57 36.326 36.326 35.608 0.718 25855 89 1 1 . 1 1 57 57 LYS H H 57 8.732 8.732 8.192 0.540 25855 90 1 1 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.663 0.048 25855 91 1 1 . 1 1 58 58 ILE CA C 58 60.597 60.597 58.999 1.598 25855 92 1 1 . 1 1 58 58 ILE CB C 58 37.464 37.464 39.940 -2.476 25855 93 1 1 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.809 -0.301 25855 94 1 1 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.625 2.063 25855 95 1 1 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.551 -0.192 25855 96 1 1 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.317 -0.278 25855 97 1 1 . 1 1 62 62 GLU CA C 62 58.958 58.958 56.972 1.986 25855 98 1 1 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.107 0.323 25855 99 1 1 . 1 1 63 63 THR HA H 63 4.786 4.786 4.656 0.130 25855 100 1 1 . 1 1 63 63 THR CA C 63 58.498 58.498 59.440 -0.942 25855 101 1 1 . 1 1 63 63 THR CB C 63 69.943 69.943 69.618 0.326 25855 102 1 1 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.298 -0.009 25855 103 1 1 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.319 0.414 25855 104 1 1 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.861 -0.188 25855 105 1 1 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.636 0.004 25855 106 1 1 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.749 -0.890 25855 107 1 1 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.346 1.113 25855 108 1 1 . 1 1 65 65 ASP H H 65 7.985 7.985 8.420 -0.435 25855 109 1 1 . 1 1 66 66 SER CB C 66 63.942 63.942 62.786 1.156 25855 110 1 1 . 1 1 66 66 SER H H 66 7.515 7.515 7.431 0.084 25855 111 1 1 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.177 0.166 25855 112 1 1 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.871 -0.629 25855 113 1 1 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.430 0.373 25855 114 1 1 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.792 0.401 25855 115 1 1 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.338 -0.366 25855 116 1 1 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.438 0.778 25855 117 1 1 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.833 -0.141 25855 118 1 1 . 1 1 69 69 ARG CA C 69 52.273 52.273 53.710 -1.437 25855 119 1 1 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.662 -0.901 25855 120 1 1 . 1 1 70 70 MET HA H 70 3.798 3.798 4.932 -1.134 25855 121 1 1 . 1 1 70 70 MET CA C 70 55.444 55.444 55.589 -0.145 25855 122 1 1 . 1 1 70 70 MET CB C 70 36.034 36.034 33.128 2.906 25855 123 1 1 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.681 -0.369 25855 124 1 1 . 1 1 71 71 VAL CA C 71 60.897 60.897 60.535 0.362 25855 125 1 1 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.016 0.646 25855 126 1 1 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.057 0.709 25855 127 1 1 . 1 1 72 72 VAL CB C 72 31.464 31.464 30.631 0.833 25855 128 1 1 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.282 0.651 25855 129 1 1 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.934 1.856 25855 130 1 1 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.012 4.089 25855 131 1 1 . 1 1 73 73 ILE H H 73 8.981 8.981 8.550 0.431 25855 132 1 1 . 1 1 74 74 THR HA H 74 5.630 5.630 4.839 0.791 25855 133 1 1 . 1 1 74 74 THR CA C 74 60.813 60.813 62.077 -1.264 25855 134 1 1 . 1 1 74 74 THR CB C 74 70.966 70.966 68.937 2.029 25855 135 1 1 . 1 1 74 74 THR H H 74 9.227 9.227 8.196 1.031 25855 136 1 1 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.832 0.200 25855 137 1 1 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.842 0.327 25855 138 1 1 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.416 1.032 25855 139 1 1 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.953 -0.386 25855 140 1 1 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.545 -0.585 25855 141 1 1 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.692 1.394 25855 142 1 1 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.022 0.113 25855 143 1 1 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.595 0.304 25855 144 1 1 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.829 0.201 25855 145 1 1 . 1 1 78 78 GLU H H 78 9.555 9.555 8.577 0.978 25855 146 1 1 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.410 -0.041 25855 147 1 1 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.690 -0.417 25855 148 1 1 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.719 1.410 25855 149 1 1 . 1 1 79 79 ALA H H 79 7.018 7.018 7.760 -0.742 25855 150 1 1 . 1 1 80 80 GLN HA H 80 3.782 3.782 3.991 -0.209 25855 151 1 1 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.854 -0.713 25855 152 1 1 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.605 -0.501 25855 153 1 1 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.892 0.516 25855 154 1 1 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.514 0.016 25855 155 1 1 . 1 1 81 81 PHE H H 81 8.005 8.005 8.768 -0.763 25855 156 1 1 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.007 -0.010 25855 157 1 1 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.537 0.474 25855 158 1 1 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.116 -0.179 25855 159 1 1 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.169 0.070 25855 160 1 1 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.097 0.930 25855 161 1 1 . 1 1 85 85 GLY CA C 85 47.426 47.426 45.992 1.434 25855 162 1 1 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.022 0.133 25855 163 1 1 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.236 -1.183 25855 164 1 1 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.130 0.044 25855 165 1 1 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.826 -0.342 25855 166 1 1 . 1 1 87 87 ILE CA C 87 65.702 65.702 64.873 0.829 25855 167 1 1 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.447 -0.065 25855 168 1 1 . 1 1 87 87 ILE H H 87 7.681 7.681 8.095 -0.414 25855 169 1 1 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.219 -0.421 25855 170 1 1 . 1 1 88 88 TYR CA C 88 62.987 62.987 59.498 3.489 25855 171 1 1 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.864 0.240 25855 172 1 1 . 1 1 88 88 TYR H H 88 8.021 8.021 8.130 -0.109 25855 173 1 1 . 1 1 89 89 GLY H H 89 8.005 8.005 8.425 -0.420 25855 174 1 1 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.278 -0.101 25855 175 1 1 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.478 -1.060 25855 176 1 1 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.160 -0.770 25855 177 1 1 . 1 1 91 91 LEU HA H 91 4.138 4.138 3.973 0.165 25855 178 1 1 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.861 -0.056 25855 179 1 1 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.390 -0.657 25855 180 1 1 . 1 1 91 91 LEU H H 91 7.545 7.545 7.937 -0.392 25855 181 1 1 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.054 0.262 25855 182 1 1 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.740 0.025 25855 183 1 1 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.244 -0.110 25855 184 1 1 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.038 0.047 25855 185 1 1 . 1 1 93 93 GLU CB C 93 29.938 29.938 28.869 1.069 25855 186 1 1 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.002 0.257 25855 187 1 1 . 1 1 94 94 GLU CA C 94 55.394 55.394 54.864 0.530 25855 188 1 1 . 1 1 94 94 GLU CB C 94 29.535 29.535 28.693 0.842 25855 189 1 1 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.235 0.273 25855 190 1 1 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.539 0.960 25855 191 1 1 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.036 1.018 25855 192 1 1 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.272 -0.115 25855 193 1 1 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.049 0.581 25855 194 1 1 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.156 -0.683 25855 195 1 1 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.977 -0.426 25855 196 1 1 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.864 0.228 25855 197 1 1 . 1 1 97 97 PHE CB C 97 41.072 41.072 38.432 2.640 25855 198 1 1 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.503 -0.757 25855 199 1 1 . 1 1 98 98 GLY H H 98 8.539 8.539 8.464 0.075 25855 200 1 1 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.505 -0.127 25855 201 1 1 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.638 0.302 25855 202 1 1 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.752 0.239 25855 203 1 1 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.497 -0.138 25855 204 1 1 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.335 -0.429 25855 205 1 1 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.901 -1.910 25855 206 1 1 . 1 1 100 100 LYS H H 100 8.622 8.622 8.275 0.347 25855 207 1 1 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.519 -0.131 25855 208 1 1 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.358 0.548 25855 209 1 1 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.539 -0.017 25855 210 1 1 . 1 1 101 101 GLU H H 101 7.569 7.569 7.832 -0.263 25855 211 1 1 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.503 -0.207 25855 212 1 1 . 1 1 102 102 GLU CA C 102 55.375 55.375 54.140 1.235 25855 213 1 1 . 1 1 102 102 GLU CB C 102 30.397 30.397 31.054 -0.657 25855 214 1 1 . 1 1 102 102 GLU H H 102 8.440 8.440 8.514 -0.074 25855 215 1 1 . 1 1 103 103 VAL HA H 103 2.768 2.768 4.359 -1.591 25855 216 1 1 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.919 0.427 25855 217 1 1 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.112 -0.121 25855 218 1 1 . 1 1 103 103 VAL H H 103 8.552 8.552 8.403 0.149 25855 219 1 1 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.772 -0.158 25855 220 1 1 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.431 0.944 25855 221 1 1 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.193 2.987 25855 222 1 1 . 1 1 104 104 LYS H H 104 6.924 6.924 8.320 -1.396 25855 223 1 1 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.469 0.442 25855 224 1 1 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.203 -0.486 25855 225 1 1 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.440 0.837 25855 226 1 1 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.825 0.083 25855 227 1 1 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.227 2.828 25855 228 1 1 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.478 0.592 25855 229 1 1 . 1 1 106 106 GLU H H 106 8.982 8.982 7.915 1.067 25855 230 1 1 . 1 1 107 107 THR HA H 107 5.524 5.524 4.349 1.175 25855 231 1 1 . 1 1 107 107 THR CA C 107 61.220 61.220 62.636 -1.416 25855 232 1 1 . 1 1 107 107 THR CB C 107 71.849 71.849 69.199 2.650 25855 233 1 1 . 1 1 107 107 THR H H 107 9.357 9.357 8.120 1.237 25855 234 1 1 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.125 0.936 25855 235 1 1 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.586 -1.337 25855 236 1 1 . 1 1 108 108 HIS CB C 108 35.180 35.180 30.684 4.496 25855 237 1 1 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.673 -0.033 25855 238 1 1 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.032 0.063 25855 239 1 1 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.267 -0.242 25855 240 1 1 . 1 1 109 109 ILE H H 109 8.818 8.818 8.221 0.597 25855 241 1 1 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.571 0.663 25855 242 1 1 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.150 -0.307 25855 243 1 1 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.241 2.751 25855 244 1 1 . 1 1 110 110 ARG H H 110 8.568 8.568 8.485 0.083 25855 245 1 1 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.541 0.333 25855 246 1 1 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.514 -1.545 25855 247 1 1 . 1 1 111 111 VAL CB C 111 33.585 33.585 35.288 -1.703 25855 248 1 1 . 1 1 111 111 VAL H H 111 8.935 8.935 8.620 0.315 25855 249 1 1 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.948 -0.449 25855 250 1 1 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.262 1.084 25855 251 1 1 . 1 1 112 112 PRO CB C 112 31.991 31.991 32.033 -0.042 25855 252 1 1 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.054 -0.144 25855 253 1 1 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.935 0.971 25855 254 1 1 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.650 -0.476 25855 255 1 1 . 1 1 113 113 ALA H H 113 9.220 9.220 9.042 0.178 25855 256 1 1 . 1 1 114 114 SER HA H 114 4.210 4.210 4.242 -0.032 25855 257 1 1 . 1 1 114 114 SER CA C 114 60.157 60.157 60.508 -0.350 25855 258 1 1 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.752 -0.267 25855 259 1 1 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.310 0.876 25855 260 1 1 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.599 0.700 25855 261 1 1 . 1 1 115 115 ALA H H 115 7.752 7.752 7.796 -0.044 25855 262 1 1 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.080 -0.493 25855 263 1 1 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.407 -0.032 25855 264 1 1 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.600 -0.426 25855 265 1 1 . 1 1 116 116 ALA H H 116 7.429 7.429 7.410 0.019 25855 266 1 1 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.347 0.993 25855 267 1 1 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.340 -0.163 25855 268 1 1 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.771 -0.374 25855 269 1 1 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.924 -0.272 25855 270 1 1 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.428 -0.488 25855 271 1 1 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.689 0.302 25855 272 1 1 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.305 -0.478 25855 273 1 1 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.633 1.798 25855 274 1 1 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.683 -1.621 25855 275 1 1 . 1 1 121 121 GLY H H 121 7.924 7.924 7.421 0.503 25855 276 1 1 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.257 -0.110 25855 277 1 1 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.659 0.260 25855 278 1 1 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.433 0.055 25855 279 1 1 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.632 -1.257 25855 280 1 1 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.584 -0.216 25855 281 1 1 . 1 1 128 128 ASN H H 128 8.050 8.050 7.643 0.407 25855 282 1 1 . 1 1 129 129 GLU H H 129 8.138 8.138 8.235 -0.097 25855 283 1 1 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.247 -0.187 25855 284 1 1 . 1 1 130 130 LEU CB C 130 42.088 42.088 42.125 -0.037 25855 285 1 1 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.025 0.269 25855 286 1 1 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.644 -0.549 25855 287 1 1 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.698 0.583 25855 288 1 1 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.404 -0.133 25855 289 1 1 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.962 0.189 25855 290 1 1 . 1 1 134 134 THR HA H 134 4.324 4.324 4.403 -0.079 25855 291 1 1 . 1 1 134 134 THR CA C 134 61.752 61.752 62.271 -0.519 25855 292 1 1 . 1 1 134 134 THR CB C 134 70.047 70.047 70.268 -0.221 25855 293 1 1 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.154 -0.047 25855 294 1 1 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.777 1.003 25855 295 1 1 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.017 1.157 25855 296 1 1 . 1 1 135 135 ALA H H 135 8.013 8.013 7.750 0.263 25855 297 1 1 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.586 -0.047 25855 298 1 1 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.890 0.233 25855 299 1 1 . 1 1 136 136 ALA CB C 136 19.768 19.768 20.203 -0.435 25855 300 1 1 . 1 1 136 136 ALA H H 136 8.011 8.011 8.009 0.002 25855 301 1 1 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.504 -0.073 25855 302 1 1 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.774 5.469 25855 303 1 1 . 1 1 137 137 GLU H H 137 8.439 8.439 8.869 -0.430 25855 304 1 1 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.884 -0.002 25855 305 1 1 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.365 -0.145 25855 306 1 1 . 1 1 138 138 VAL CB C 138 33.585 33.585 33.161 0.424 25855 307 1 1 . 1 1 138 138 VAL H H 138 8.280 8.280 8.380 -0.100 25855 308 1 1 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.458 -0.237 25855 309 1 1 . 1 1 139 139 VAL CA C 139 60.689 60.689 61.044 -0.355 25855 310 1 1 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.046 1.197 25855 311 1 1 . 1 1 139 139 VAL H H 139 9.055 9.055 8.839 0.216 25855 312 1 1 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.669 -0.047 25855 313 1 1 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.844 0.718 25855 314 1 1 . 1 1 140 140 VAL CB C 140 31.991 31.991 31.448 0.543 25855 315 1 1 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.505 -0.276 25855 316 1 1 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.719 0.627 25855 317 1 1 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.421 -0.961 25855 318 1 1 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.113 0.121 25855 319 1 1 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.802 -0.365 25855 320 1 1 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.398 1.530 25855 321 1 1 . 1 1 142 142 ARG H H 142 8.499 8.499 8.522 -0.023 25855 322 1 1 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.172 0.238 25855 323 1 1 . 1 1 143 143 ASP CA C 143 54.312 54.312 57.188 -2.876 25855 324 1 1 . 1 1 143 143 ASP CB C 143 39.431 39.431 39.915 -0.484 25855 325 1 1 . 1 1 143 143 ASP H H 143 8.691 8.691 8.779 -0.088 25855 326 1 1 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.366 -0.001 25855 327 1 1 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.267 -1.211 25855 328 1 1 . 1 1 144 144 GLN CB C 144 31.069 31.069 30.939 0.131 25855 329 1 1 . 1 1 144 144 GLN H H 144 7.898 7.898 8.317 -0.419 25855 330 1 1 . 1 1 145 145 THR HA H 145 4.619 4.619 4.058 0.561 25855 331 1 1 . 1 1 145 145 THR CA C 145 59.626 59.626 62.467 -2.841 25855 332 1 1 . 1 1 145 145 THR CB C 145 70.255 70.255 67.736 2.519 25855 333 1 1 . 1 1 145 145 THR H H 145 8.695 8.695 8.306 0.389 25855 334 1 1 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.804 -0.464 25855 335 1 1 . 1 1 146 146 PRO CA C 146 62.815 62.815 61.891 0.924 25855 336 1 1 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.554 -0.005 25855 337 1 1 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.504 -0.787 25855 338 1 1 . 1 1 147 147 ASP CB C 147 41.026 41.026 43.028 -2.002 25855 339 1 1 . 1 1 147 147 ASP H H 147 8.506 8.506 8.305 0.201 25855 340 1 1 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.033 0.137 25855 341 1 1 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.569 -0.006 25855 342 1 1 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.576 -1.305 25855 343 1 1 . 1 1 148 148 GLU H H 148 9.159 9.159 8.608 0.551 25855 344 1 1 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.730 0.206 25855 345 1 1 . 1 1 149 149 ASN CA C 149 52.717 52.717 53.239 -0.522 25855 346 1 1 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.296 1.135 25855 347 1 1 . 1 1 149 149 ASN H H 149 8.364 8.364 8.498 -0.134 25855 348 1 1 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.937 -0.166 25855 349 1 1 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.411 0.089 25855 350 1 1 . 1 1 150 150 GLU CB C 150 27.850 27.850 26.767 1.083 25855 351 1 1 . 1 1 150 150 GLU H H 150 8.542 8.542 7.781 0.761 25855 352 1 1 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.057 -0.036 25855 353 1 1 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.630 0.213 25855 354 1 1 . 1 1 151 151 GLN CB C 151 31.069 31.069 31.753 -0.684 25855 355 1 1 . 1 1 151 151 GLN H H 151 8.441 8.441 7.544 0.897 25855 356 1 1 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.510 0.072 25855 357 1 1 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.894 -1.331 25855 358 1 1 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.404 -1.287 25855 359 1 1 . 1 1 152 152 VAL H H 152 8.999 8.999 9.115 -0.116 25855 360 1 1 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.034 -0.406 25855 361 1 1 . 1 1 153 153 ILE CA C 153 61.220 61.220 58.977 2.243 25855 362 1 1 . 1 1 153 153 ILE CB C 153 40.494 40.494 39.130 1.364 25855 363 1 1 . 1 1 153 153 ILE H H 153 8.972 8.972 8.362 0.610 25855 364 1 1 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.684 -0.450 25855 365 1 1 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.093 1.659 25855 366 1 1 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.052 -1.467 25855 367 1 1 . 1 1 154 154 VAL H H 154 8.557 8.557 8.233 0.324 25855 368 1 1 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.421 -0.267 25855 369 1 1 . 1 1 155 155 LYS CA C 155 54.843 54.843 53.116 1.727 25855 370 1 1 . 1 1 155 155 LYS CB C 155 34.648 34.648 34.949 -0.301 25855 371 1 1 . 1 1 155 155 LYS H H 155 8.951 8.951 8.997 -0.046 25855 372 1 1 . 1 1 156 156 ILE HA H 156 5.035 5.035 4.683 0.352 25855 373 1 1 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.581 -0.424 25855 374 1 1 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.343 2.214 25855 375 1 1 . 1 1 156 156 ILE H H 156 9.538 9.538 8.263 1.275 25855 376 1 1 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.397 -0.296 25855 377 1 1 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.241 2.448 25855 378 1 1 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.086 3.408 25855 379 1 1 . 1 1 157 157 ILE H H 157 9.468 9.468 8.988 0.480 25855 380 1 1 . 1 1 158 158 GLY CA C 158 45.809 45.809 46.254 -0.445 25855 381 1 1 . 1 1 158 158 GLY H H 158 8.236 8.236 8.143 0.093 25855 382 1 1 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.673 0.872 25855 383 1 1 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.611 1.764 25855 384 1 1 . 1 1 159 159 HIS CB C 159 31.460 31.460 33.337 -1.877 25855 385 1 1 . 1 1 159 159 HIS H H 159 7.986 7.986 8.045 -0.059 25855 386 1 1 . 1 1 160 160 PHE HA H 160 3.186 3.186 4.145 -0.959 25855 387 1 1 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.384 0.899 25855 388 1 1 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.718 -0.350 25855 389 1 1 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.686 -0.246 25855 390 1 1 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.534 0.749 25855 391 1 1 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.905 0.932 25855 392 1 1 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.006 0.046 25855 393 1 1 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.525 0.318 25855 394 1 1 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.097 0.608 25855 395 1 1 . 1 1 162 162 ALA H H 162 7.458 7.458 8.303 -0.845 25855 396 1 1 . 1 1 163 163 SER HA H 163 3.832 3.832 4.073 -0.241 25855 397 1 1 . 1 1 163 163 SER CA C 163 60.050 60.050 62.248 -2.198 25855 398 1 1 . 1 1 163 163 SER CB C 163 63.346 63.346 63.089 0.257 25855 399 1 1 . 1 1 163 163 SER H H 163 8.403 8.403 8.726 -0.323 25855 400 1 1 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.104 -0.494 25855 401 1 1 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.402 0.161 25855 402 1 1 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.216 -21.622 25855 403 1 1 . 1 1 165 165 MET HA H 165 4.048 4.048 4.054 -0.006 25855 404 1 1 . 1 1 165 165 MET CA C 165 58.563 58.563 59.154 -0.591 25855 405 1 1 . 1 1 165 165 MET CB C 165 31.991 31.991 32.388 -0.397 25855 406 1 1 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.923 -0.005 25855 407 1 1 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.184 -0.108 25855 408 1 1 . 1 1 166 166 ALA H H 166 8.208 8.208 8.542 -0.334 25855 409 1 1 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.984 -0.356 25855 410 1 1 . 1 1 167 167 GLN CA C 167 60.157 60.157 58.805 1.352 25855 411 1 1 . 1 1 167 167 GLN H H 167 8.393 8.393 8.559 -0.166 25855 412 1 1 . 1 1 168 168 ARG HA H 168 3.890 3.890 3.972 -0.082 25855 413 1 1 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.876 -6.840 25855 414 1 1 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.240 -0.375 25855 415 1 1 . 1 1 168 168 ARG H H 168 8.220 8.220 8.205 0.015 25855 416 1 1 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.027 0.106 25855 417 1 1 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.690 -1.127 25855 418 1 1 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.397 -0.406 25855 419 1 1 . 1 1 169 169 LYS H H 169 8.042 8.042 8.113 -0.071 25855 420 1 1 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.692 -0.162 25855 421 1 1 . 1 1 170 170 ILE CA C 170 65.472 65.472 65.823 -0.351 25855 422 1 1 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.907 -1.133 25855 423 1 1 . 1 1 170 170 ILE H H 170 8.190 8.190 8.682 -0.492 25855 424 1 1 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.977 -0.110 25855 425 1 1 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.504 0.547 25855 426 1 1 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.476 -0.142 25855 427 1 1 . 1 1 171 171 ARG H H 171 7.984 7.984 8.054 -0.070 25855 428 1 1 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.424 0.005 25855 429 1 1 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.511 -0.011 25855 430 1 1 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.933 -0.439 25855 431 1 1 . 1 1 172 172 ASP H H 172 7.993 7.993 8.152 -0.159 25855 432 1 1 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.639 0.011 25855 433 1 1 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.448 0.024 25855 434 1 1 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.964 0.404 25855 435 1 1 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.824 0.071 25855 436 1 1 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.227 -0.727 25855 437 1 1 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.898 -0.872 25855 438 1 1 . 1 1 174 174 LEU H H 174 8.270 8.270 8.313 -0.043 25855 439 1 1 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.878 0.266 25855 440 1 1 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.173 -1.117 25855 441 1 1 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.263 0.442 25855 442 1 1 . 1 1 175 175 ALA H H 175 7.960 7.960 8.281 -0.321 25855 443 1 1 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.277 -0.184 25855 444 1 1 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.397 -0.343 25855 445 1 1 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.689 0.381 25855 446 1 1 . 1 1 176 176 GLN H H 176 7.696 7.696 7.723 -0.027 25855 447 1 1 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.706 0.119 25855 448 1 1 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.777 -2.726 25855 449 1 1 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.397 0.671 25855 450 1 1 . 1 1 177 177 VAL H H 177 7.850 7.850 8.268 -0.418 25855 451 1 1 . 1 1 179 179 GLN H H 179 7.862 7.862 8.227 -0.365 25855 452 1 2 . 1 1 22 22 GLN H H 22 8.152 8.152 7.838 0.314 25855 453 1 2 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.286 0.290 25855 454 1 2 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.459 -1.354 25855 455 1 2 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.438 1.993 25855 456 1 2 . 1 1 23 23 GLU H H 23 7.926 7.926 8.019 -0.093 25855 457 1 2 . 1 1 24 24 THR HA H 24 5.298 5.298 5.098 0.200 25855 458 1 2 . 1 1 24 24 THR CA C 24 62.286 62.286 61.362 0.924 25855 459 1 2 . 1 1 24 24 THR CB C 24 70.759 70.759 70.513 0.246 25855 460 1 2 . 1 1 25 25 VAL HA H 25 4.435 4.435 5.030 -0.595 25855 461 1 2 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.024 1.597 25855 462 1 2 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.023 -0.000 25855 463 1 2 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.202 0.337 25855 464 1 2 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.284 -2.142 25855 465 1 2 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.102 0.615 25855 466 1 2 . 1 1 27 27 VAL CA C 27 60.635 60.635 62.412 -1.777 25855 467 1 2 . 1 1 27 27 VAL CB C 27 35.238 35.238 31.884 3.354 25855 468 1 2 . 1 1 27 27 VAL H H 27 9.339 9.339 9.002 0.337 25855 469 1 2 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.841 0.070 25855 470 1 2 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.063 0.662 25855 471 1 2 . 1 1 28 28 PHE CB C 28 38.909 38.909 38.749 0.160 25855 472 1 2 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.873 0.013 25855 473 1 2 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.272 -0.158 25855 474 1 2 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.888 -0.973 25855 475 1 2 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.552 -0.044 25855 476 1 2 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.980 -0.071 25855 477 1 2 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.631 0.210 25855 478 1 2 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.936 -0.343 25855 479 1 2 . 1 1 31 31 ALA CA C 31 55.496 55.496 55.037 0.459 25855 480 1 2 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.682 -0.611 25855 481 1 2 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.065 0.118 25855 482 1 2 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.925 -0.584 25855 483 1 2 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.500 -0.633 25855 484 1 2 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.242 -0.284 25855 485 1 2 . 1 1 33 33 ALA CA C 33 51.416 51.416 53.717 -2.301 25855 486 1 2 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.940 0.144 25855 487 1 2 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.646 -0.760 25855 488 1 2 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.759 1.583 25855 489 1 2 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.722 0.800 25855 490 1 2 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.428 -0.529 25855 491 1 2 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.241 -1.248 25855 492 1 2 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.422 -1.183 25855 493 1 2 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.948 -0.701 25855 494 1 2 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.809 -0.358 25855 495 1 2 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.747 -3.230 25855 496 1 2 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.106 -1.796 25855 497 1 2 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.930 -0.041 25855 498 1 2 . 1 1 38 38 ILE CA C 38 64.581 64.581 62.263 2.318 25855 499 1 2 . 1 1 38 38 ILE CB C 38 38.840 38.840 36.963 1.877 25855 500 1 2 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.529 0.623 25855 501 1 2 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.018 0.562 25855 502 1 2 . 1 1 40 40 LYS CA C 40 58.370 58.370 59.400 -1.030 25855 503 1 2 . 1 1 41 41 LYS CB C 41 32.800 32.800 33.885 -1.085 25855 504 1 2 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.612 -0.270 25855 505 1 2 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.958 -2.725 25855 506 1 2 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.798 0.090 25855 507 1 2 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.468 1.170 25855 508 1 2 . 1 1 45 45 ILE CB C 45 37.250 37.250 38.011 -0.761 25855 509 1 2 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.163 -0.027 25855 510 1 2 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.883 0.720 25855 511 1 2 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.592 -0.122 25855 512 1 2 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.075 -0.041 25855 513 1 2 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.161 -0.119 25855 514 1 2 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.626 0.459 25855 515 1 2 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.697 0.674 25855 516 1 2 . 1 1 49 49 SER HA H 49 4.183 4.183 4.130 0.053 25855 517 1 2 . 1 1 49 49 SER CA C 49 61.932 61.932 62.407 -0.475 25855 518 1 2 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.182 -0.023 25855 519 1 2 . 1 1 50 50 ARG CA C 50 58.431 58.431 57.949 0.482 25855 520 1 2 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.500 0.652 25855 521 1 2 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.150 0.172 25855 522 1 2 . 1 1 51 51 PHE CA C 51 59.819 59.819 61.079 -1.260 25855 523 1 2 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.101 0.424 25855 524 1 2 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.017 -0.254 25855 525 1 2 . 1 1 52 52 ALA CA C 52 52.378 52.378 53.862 -1.484 25855 526 1 2 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.587 -0.209 25855 527 1 2 . 1 1 52 52 ALA H H 52 8.465 8.465 8.679 -0.214 25855 528 1 2 . 1 1 53 53 SER CB C 53 61.826 61.826 60.754 1.072 25855 529 1 2 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.615 0.317 25855 530 1 2 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.892 -1.759 25855 531 1 2 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.186 1.212 25855 532 1 2 . 1 1 55 55 SER HA H 55 4.766 4.766 4.715 0.051 25855 533 1 2 . 1 1 55 55 SER CB C 55 63.541 63.541 62.922 0.619 25855 534 1 2 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.568 0.424 25855 535 1 2 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.743 -0.552 25855 536 1 2 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.558 1.953 25855 537 1 2 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.688 0.066 25855 538 1 2 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.541 0.114 25855 539 1 2 . 1 1 57 57 LYS CB C 57 36.326 36.326 34.793 1.533 25855 540 1 2 . 1 1 57 57 LYS H H 57 8.732 8.732 8.466 0.266 25855 541 1 2 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.600 0.111 25855 542 1 2 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.879 0.718 25855 543 1 2 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.614 -1.150 25855 544 1 2 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.758 -0.251 25855 545 1 2 . 1 1 59 59 ALA CA C 59 51.688 51.688 48.774 2.914 25855 546 1 2 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.877 -0.518 25855 547 1 2 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.184 -0.145 25855 548 1 2 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.003 0.955 25855 549 1 2 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.131 0.299 25855 550 1 2 . 1 1 63 63 THR HA H 63 4.786 4.786 4.571 0.215 25855 551 1 2 . 1 1 63 63 THR CA C 63 58.498 58.498 59.285 -0.787 25855 552 1 2 . 1 1 63 63 THR CB C 63 69.943 69.943 68.428 1.515 25855 553 1 2 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.270 0.019 25855 554 1 2 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.952 -0.219 25855 555 1 2 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.516 0.157 25855 556 1 2 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.700 -0.060 25855 557 1 2 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.795 -1.936 25855 558 1 2 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.101 1.359 25855 559 1 2 . 1 1 65 65 ASP H H 65 7.985 7.985 8.057 -0.072 25855 560 1 2 . 1 1 66 66 SER CB C 66 63.942 63.942 62.868 1.074 25855 561 1 2 . 1 1 66 66 SER H H 66 7.515 7.515 8.051 -0.536 25855 562 1 2 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.273 0.070 25855 563 1 2 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.528 -0.285 25855 564 1 2 . 1 1 67 67 LYS CB C 67 32.803 32.803 33.155 -0.352 25855 565 1 2 . 1 1 68 68 VAL HA H 68 5.193 5.193 5.035 0.158 25855 566 1 2 . 1 1 68 68 VAL CA C 68 58.972 58.972 58.958 0.014 25855 567 1 2 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.473 0.743 25855 568 1 2 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.544 0.148 25855 569 1 2 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.327 -2.054 25855 570 1 2 . 1 1 69 69 ARG CB C 69 32.761 32.761 34.402 -1.641 25855 571 1 2 . 1 1 70 70 MET HA H 70 3.798 3.798 5.080 -1.282 25855 572 1 2 . 1 1 70 70 MET CA C 70 55.444 55.444 54.231 1.213 25855 573 1 2 . 1 1 70 70 MET CB C 70 36.034 36.034 34.105 1.929 25855 574 1 2 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.558 -0.246 25855 575 1 2 . 1 1 71 71 VAL CA C 71 60.897 60.897 60.508 0.389 25855 576 1 2 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.005 0.657 25855 577 1 2 . 1 1 72 72 VAL CA C 72 61.766 61.766 62.077 -0.311 25855 578 1 2 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.013 0.451 25855 579 1 2 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.272 0.661 25855 580 1 2 . 1 1 73 73 ILE CA C 73 60.790 60.790 59.190 1.600 25855 581 1 2 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.102 3.999 25855 582 1 2 . 1 1 73 73 ILE H H 73 8.981 8.981 9.008 -0.027 25855 583 1 2 . 1 1 74 74 THR HA H 74 5.630 5.630 5.587 0.043 25855 584 1 2 . 1 1 74 74 THR CA C 74 60.813 60.813 61.021 -0.208 25855 585 1 2 . 1 1 74 74 THR CB C 74 70.966 70.966 69.457 1.509 25855 586 1 2 . 1 1 74 74 THR H H 74 9.227 9.227 8.507 0.720 25855 587 1 2 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.573 -0.541 25855 588 1 2 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.951 0.218 25855 589 1 2 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.056 1.392 25855 590 1 2 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.117 -0.550 25855 591 1 2 . 1 1 77 77 PRO HA H 77 3.960 3.960 3.847 0.113 25855 592 1 2 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.092 0.994 25855 593 1 2 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.112 0.023 25855 594 1 2 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.702 0.197 25855 595 1 2 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.585 0.445 25855 596 1 2 . 1 1 78 78 GLU H H 78 9.555 9.555 8.946 0.609 25855 597 1 2 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.180 0.189 25855 598 1 2 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.735 -0.462 25855 599 1 2 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.392 1.737 25855 600 1 2 . 1 1 79 79 ALA H H 79 7.018 7.018 7.796 -0.778 25855 601 1 2 . 1 1 80 80 GLN HA H 80 3.782 3.782 3.902 -0.120 25855 602 1 2 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.258 -0.117 25855 603 1 2 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.378 -0.274 25855 604 1 2 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.017 1.392 25855 605 1 2 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.130 1.400 25855 606 1 2 . 1 1 81 81 PHE H H 81 8.005 8.005 7.931 0.074 25855 607 1 2 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.038 -0.041 25855 608 1 2 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.770 0.242 25855 609 1 2 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.183 -0.246 25855 610 1 2 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.182 0.057 25855 611 1 2 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.143 0.884 25855 612 1 2 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.766 0.660 25855 613 1 2 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.277 -0.122 25855 614 1 2 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.699 -1.646 25855 615 1 2 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.221 -0.048 25855 616 1 2 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.819 -0.335 25855 617 1 2 . 1 1 87 87 ILE CA C 87 65.702 65.702 64.777 0.925 25855 618 1 2 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.399 -0.017 25855 619 1 2 . 1 1 87 87 ILE H H 87 7.681 7.681 8.126 -0.445 25855 620 1 2 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.252 -0.454 25855 621 1 2 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.325 1.661 25855 622 1 2 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.632 0.472 25855 623 1 2 . 1 1 88 88 TYR H H 88 8.021 8.021 8.230 -0.209 25855 624 1 2 . 1 1 89 89 GLY H H 89 8.005 8.005 8.644 -0.639 25855 625 1 2 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.147 0.030 25855 626 1 2 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.378 -0.960 25855 627 1 2 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.217 -0.827 25855 628 1 2 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.186 -0.048 25855 629 1 2 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.439 -0.634 25855 630 1 2 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.755 -1.022 25855 631 1 2 . 1 1 91 91 LEU H H 91 7.545 7.545 8.332 -0.787 25855 632 1 2 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.259 0.057 25855 633 1 2 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.533 0.232 25855 634 1 2 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.322 -0.188 25855 635 1 2 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.108 -0.023 25855 636 1 2 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.066 0.872 25855 637 1 2 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.078 0.181 25855 638 1 2 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.526 -0.133 25855 639 1 2 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.347 0.188 25855 640 1 2 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.452 0.056 25855 641 1 2 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.163 1.336 25855 642 1 2 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.698 0.356 25855 643 1 2 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.085 0.072 25855 644 1 2 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.736 0.895 25855 645 1 2 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.006 -0.533 25855 646 1 2 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.904 -0.353 25855 647 1 2 . 1 1 97 97 PHE CA C 97 57.092 57.092 57.084 0.008 25855 648 1 2 . 1 1 97 97 PHE CB C 97 41.072 41.072 41.941 -0.869 25855 649 1 2 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.900 -2.154 25855 650 1 2 . 1 1 98 98 GLY H H 98 8.539 8.539 8.179 0.360 25855 651 1 2 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.555 -0.177 25855 652 1 2 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.108 0.832 25855 653 1 2 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.930 0.060 25855 654 1 2 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.412 -0.053 25855 655 1 2 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.854 -0.948 25855 656 1 2 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.302 -1.311 25855 657 1 2 . 1 1 100 100 LYS H H 100 8.622 8.622 8.208 0.414 25855 658 1 2 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.589 -0.201 25855 659 1 2 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.199 0.707 25855 660 1 2 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.451 0.072 25855 661 1 2 . 1 1 101 101 GLU H H 101 7.569 7.569 8.024 -0.455 25855 662 1 2 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.363 -0.067 25855 663 1 2 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.662 -0.287 25855 664 1 2 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.548 -0.151 25855 665 1 2 . 1 1 102 102 GLU H H 102 8.440 8.440 8.619 -0.179 25855 666 1 2 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.204 -0.436 25855 667 1 2 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.572 0.774 25855 668 1 2 . 1 1 103 103 VAL CB C 103 31.991 31.991 31.702 0.289 25855 669 1 2 . 1 1 103 103 VAL H H 103 8.552 8.552 8.521 0.031 25855 670 1 2 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.967 -0.353 25855 671 1 2 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.259 1.116 25855 672 1 2 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.712 2.467 25855 673 1 2 . 1 1 104 104 LYS H H 104 6.924 6.924 7.771 -0.847 25855 674 1 2 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.773 0.138 25855 675 1 2 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.495 -0.778 25855 676 1 2 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.836 0.441 25855 677 1 2 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.916 -0.008 25855 678 1 2 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.822 2.233 25855 679 1 2 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.996 0.074 25855 680 1 2 . 1 1 106 106 GLU H H 106 8.982 8.982 8.621 0.361 25855 681 1 2 . 1 1 107 107 THR HA H 107 5.524 5.524 4.659 0.865 25855 682 1 2 . 1 1 107 107 THR CA C 107 61.220 61.220 63.044 -1.825 25855 683 1 2 . 1 1 107 107 THR CB C 107 71.849 71.849 68.944 2.905 25855 684 1 2 . 1 1 107 107 THR H H 107 9.357 9.357 8.955 0.402 25855 685 1 2 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.362 0.699 25855 686 1 2 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.732 -1.483 25855 687 1 2 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.085 4.095 25855 688 1 2 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.819 -0.179 25855 689 1 2 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.020 0.075 25855 690 1 2 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.500 -0.474 25855 691 1 2 . 1 1 109 109 ILE H H 109 8.818 8.818 8.432 0.386 25855 692 1 2 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.005 0.229 25855 693 1 2 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.606 0.237 25855 694 1 2 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.540 2.451 25855 695 1 2 . 1 1 110 110 ARG H H 110 8.568 8.568 8.636 -0.068 25855 696 1 2 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.744 0.130 25855 697 1 2 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.816 -0.847 25855 698 1 2 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.094 -0.509 25855 699 1 2 . 1 1 111 111 VAL H H 111 8.935 8.935 8.686 0.249 25855 700 1 2 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.754 -0.255 25855 701 1 2 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.774 0.572 25855 702 1 2 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.538 0.453 25855 703 1 2 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.037 -0.127 25855 704 1 2 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.874 1.032 25855 705 1 2 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.641 -0.467 25855 706 1 2 . 1 1 113 113 ALA H H 113 9.220 9.220 9.155 0.065 25855 707 1 2 . 1 1 114 114 SER HA H 114 4.210 4.210 4.265 -0.055 25855 708 1 2 . 1 1 114 114 SER CA C 114 60.157 60.157 60.763 -0.606 25855 709 1 2 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.482 0.003 25855 710 1 2 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.332 0.854 25855 711 1 2 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.017 1.282 25855 712 1 2 . 1 1 115 115 ALA H H 115 7.752 7.752 8.070 -0.318 25855 713 1 2 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.131 -0.544 25855 714 1 2 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.019 0.356 25855 715 1 2 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.609 -0.435 25855 716 1 2 . 1 1 116 116 ALA H H 116 7.429 7.429 7.447 -0.018 25855 717 1 2 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.397 0.943 25855 718 1 2 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.341 -0.164 25855 719 1 2 . 1 1 118 118 ARG CB C 118 30.397 30.397 29.980 0.416 25855 720 1 2 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.754 -0.102 25855 721 1 2 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.833 -0.893 25855 722 1 2 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.903 0.088 25855 723 1 2 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.437 -0.610 25855 724 1 2 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.958 0.473 25855 725 1 2 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.294 -1.232 25855 726 1 2 . 1 1 121 121 GLY H H 121 7.924 7.924 7.102 0.822 25855 727 1 2 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.411 -0.264 25855 728 1 2 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.692 0.227 25855 729 1 2 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.461 0.027 25855 730 1 2 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.579 -1.204 25855 731 1 2 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.521 -0.153 25855 732 1 2 . 1 1 128 128 ASN H H 128 8.050 8.050 7.761 0.289 25855 733 1 2 . 1 1 129 129 GLU H H 129 8.138 8.138 8.499 -0.361 25855 734 1 2 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.224 -0.164 25855 735 1 2 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.985 0.103 25855 736 1 2 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.141 0.153 25855 737 1 2 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.068 0.027 25855 738 1 2 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.524 0.757 25855 739 1 2 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.479 -0.208 25855 740 1 2 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.473 0.678 25855 741 1 2 . 1 1 134 134 THR HA H 134 4.324 4.324 4.401 -0.077 25855 742 1 2 . 1 1 134 134 THR CA C 134 61.752 61.752 62.746 -0.994 25855 743 1 2 . 1 1 134 134 THR CB C 134 70.047 70.047 69.680 0.367 25855 744 1 2 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.082 0.025 25855 745 1 2 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.757 1.023 25855 746 1 2 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.098 1.076 25855 747 1 2 . 1 1 135 135 ALA H H 135 8.013 8.013 7.492 0.521 25855 748 1 2 . 1 1 136 136 ALA HA H 136 4.539 4.539 5.023 -0.484 25855 749 1 2 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.770 0.353 25855 750 1 2 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.225 -1.457 25855 751 1 2 . 1 1 136 136 ALA H H 136 8.011 8.011 7.880 0.131 25855 752 1 2 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.466 -0.035 25855 753 1 2 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.059 5.184 25855 754 1 2 . 1 1 137 137 GLU H H 137 8.439 8.439 8.919 -0.480 25855 755 1 2 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.650 0.232 25855 756 1 2 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.131 0.089 25855 757 1 2 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.071 1.514 25855 758 1 2 . 1 1 138 138 VAL H H 138 8.280 8.280 8.580 -0.300 25855 759 1 2 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.423 -0.202 25855 760 1 2 . 1 1 139 139 VAL CA C 139 60.689 60.689 61.010 -0.321 25855 761 1 2 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.024 2.219 25855 762 1 2 . 1 1 139 139 VAL H H 139 9.055 9.055 9.096 -0.041 25855 763 1 2 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.833 -0.211 25855 764 1 2 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.525 1.038 25855 765 1 2 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.282 -0.291 25855 766 1 2 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.468 -0.239 25855 767 1 2 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.810 0.536 25855 768 1 2 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.046 -0.586 25855 769 1 2 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.344 -0.110 25855 770 1 2 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.539 -0.102 25855 771 1 2 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.494 0.434 25855 772 1 2 . 1 1 142 142 ARG H H 142 8.499 8.499 8.450 0.049 25855 773 1 2 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.292 0.118 25855 774 1 2 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.301 -0.989 25855 775 1 2 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.639 -1.208 25855 776 1 2 . 1 1 143 143 ASP H H 143 8.691 8.691 8.466 0.225 25855 777 1 2 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.429 -0.064 25855 778 1 2 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.260 -1.204 25855 779 1 2 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.628 1.441 25855 780 1 2 . 1 1 144 144 GLN H H 144 7.898 7.898 8.503 -0.605 25855 781 1 2 . 1 1 145 145 THR HA H 145 4.619 4.619 4.627 -0.008 25855 782 1 2 . 1 1 145 145 THR CA C 145 59.626 59.626 59.229 0.397 25855 783 1 2 . 1 1 145 145 THR CB C 145 70.255 70.255 68.749 1.506 25855 784 1 2 . 1 1 145 145 THR H H 145 8.695 8.695 8.520 0.175 25855 785 1 2 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.494 -0.154 25855 786 1 2 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.561 0.254 25855 787 1 2 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.489 0.060 25855 788 1 2 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.681 -0.965 25855 789 1 2 . 1 1 147 147 ASP CB C 147 41.026 41.026 42.405 -1.379 25855 790 1 2 . 1 1 147 147 ASP H H 147 8.506 8.506 8.586 -0.080 25855 791 1 2 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.014 0.156 25855 792 1 2 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.940 -0.377 25855 793 1 2 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.425 -1.154 25855 794 1 2 . 1 1 148 148 GLU H H 148 9.159 9.159 8.708 0.451 25855 795 1 2 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.853 0.083 25855 796 1 2 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.457 0.260 25855 797 1 2 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.164 1.267 25855 798 1 2 . 1 1 149 149 ASN H H 149 8.364 8.364 7.925 0.439 25855 799 1 2 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.910 -0.139 25855 800 1 2 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.486 0.014 25855 801 1 2 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.612 0.238 25855 802 1 2 . 1 1 150 150 GLU H H 150 8.542 8.542 8.117 0.425 25855 803 1 2 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.361 -0.340 25855 804 1 2 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.588 0.255 25855 805 1 2 . 1 1 151 151 GLN CB C 151 31.069 31.069 31.740 -0.671 25855 806 1 2 . 1 1 151 151 GLN H H 151 8.441 8.441 7.977 0.464 25855 807 1 2 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.613 -0.031 25855 808 1 2 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.884 -1.321 25855 809 1 2 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.353 -1.236 25855 810 1 2 . 1 1 152 152 VAL H H 152 8.999 8.999 9.077 -0.078 25855 811 1 2 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.797 -0.169 25855 812 1 2 . 1 1 153 153 ILE CA C 153 61.220 61.220 58.712 2.509 25855 813 1 2 . 1 1 153 153 ILE CB C 153 40.494 40.494 37.597 2.897 25855 814 1 2 . 1 1 153 153 ILE H H 153 8.972 8.972 8.200 0.772 25855 815 1 2 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.432 -0.198 25855 816 1 2 . 1 1 154 154 VAL CA C 154 61.752 61.752 61.065 0.687 25855 817 1 2 . 1 1 154 154 VAL CB C 154 33.585 33.585 33.423 0.161 25855 818 1 2 . 1 1 154 154 VAL H H 154 8.557 8.557 8.221 0.336 25855 819 1 2 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.222 -0.068 25855 820 1 2 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.293 0.550 25855 821 1 2 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.804 0.843 25855 822 1 2 . 1 1 155 155 LYS H H 155 8.951 8.951 9.032 -0.081 25855 823 1 2 . 1 1 156 156 ILE HA H 156 5.035 5.035 4.872 0.163 25855 824 1 2 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.463 -0.306 25855 825 1 2 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.661 1.896 25855 826 1 2 . 1 1 156 156 ILE H H 156 9.538 9.538 8.801 0.737 25855 827 1 2 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.670 -0.569 25855 828 1 2 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.239 1.450 25855 829 1 2 . 1 1 157 157 ILE CB C 157 40.494 40.494 38.999 1.494 25855 830 1 2 . 1 1 157 157 ILE H H 157 9.468 9.468 9.004 0.464 25855 831 1 2 . 1 1 158 158 GLY CA C 158 45.809 45.809 44.699 1.110 25855 832 1 2 . 1 1 158 158 GLY H H 158 8.236 8.236 7.887 0.349 25855 833 1 2 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.737 0.808 25855 834 1 2 . 1 1 159 159 HIS CA C 159 55.375 55.375 52.957 2.418 25855 835 1 2 . 1 1 159 159 HIS CB C 159 31.460 31.460 33.268 -1.808 25855 836 1 2 . 1 1 159 159 HIS H H 159 7.986 7.986 8.316 -0.330 25855 837 1 2 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.400 -0.214 25855 838 1 2 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.297 0.987 25855 839 1 2 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.887 -0.519 25855 840 1 2 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.169 -0.729 25855 841 1 2 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.248 1.035 25855 842 1 2 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.647 0.190 25855 843 1 2 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.992 0.060 25855 844 1 2 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.918 -0.075 25855 845 1 2 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.183 0.522 25855 846 1 2 . 1 1 162 162 ALA H H 162 7.458 7.458 8.172 -0.714 25855 847 1 2 . 1 1 163 163 SER HA H 163 3.832 3.832 4.062 -0.230 25855 848 1 2 . 1 1 163 163 SER CA C 163 60.050 60.050 61.816 -1.766 25855 849 1 2 . 1 1 163 163 SER CB C 163 63.346 63.346 63.213 0.133 25855 850 1 2 . 1 1 163 163 SER H H 163 8.403 8.403 8.436 -0.033 25855 851 1 2 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.493 -0.883 25855 852 1 2 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.009 0.554 25855 853 1 2 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.031 -21.437 25855 854 1 2 . 1 1 165 165 MET HA H 165 4.048 4.048 4.185 -0.137 25855 855 1 2 . 1 1 165 165 MET CA C 165 58.563 58.563 56.693 1.870 25855 856 1 2 . 1 1 165 165 MET CB C 165 31.991 31.991 31.351 0.640 25855 857 1 2 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.886 0.032 25855 858 1 2 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.179 -0.103 25855 859 1 2 . 1 1 166 166 ALA H H 166 8.208 8.208 8.117 0.091 25855 860 1 2 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.986 -0.358 25855 861 1 2 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.360 0.797 25855 862 1 2 . 1 1 167 167 GLN H H 167 8.393 8.393 8.581 -0.188 25855 863 1 2 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.134 -0.244 25855 864 1 2 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.768 -6.732 25855 865 1 2 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.111 -0.246 25855 866 1 2 . 1 1 168 168 ARG H H 168 8.220 8.220 7.970 0.250 25855 867 1 2 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.144 -0.011 25855 868 1 2 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.556 0.007 25855 869 1 2 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.102 -0.111 25855 870 1 2 . 1 1 169 169 LYS H H 169 8.042 8.042 7.655 0.387 25855 871 1 2 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.725 -0.195 25855 872 1 2 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.341 1.131 25855 873 1 2 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.625 -0.851 25855 874 1 2 . 1 1 170 170 ILE H H 170 8.190 8.190 8.510 -0.320 25855 875 1 2 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.000 -0.133 25855 876 1 2 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.749 0.302 25855 877 1 2 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.513 -0.179 25855 878 1 2 . 1 1 171 171 ARG H H 171 7.984 7.984 7.878 0.106 25855 879 1 2 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.444 -0.015 25855 880 1 2 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.222 0.278 25855 881 1 2 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.357 0.137 25855 882 1 2 . 1 1 172 172 ASP H H 172 7.993 7.993 7.781 0.212 25855 883 1 2 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.785 -0.135 25855 884 1 2 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.193 0.279 25855 885 1 2 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.830 0.538 25855 886 1 2 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.828 0.067 25855 887 1 2 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.028 -0.528 25855 888 1 2 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.885 -0.859 25855 889 1 2 . 1 1 174 174 LEU H H 174 8.270 8.270 8.000 0.270 25855 890 1 2 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.855 0.289 25855 891 1 2 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.201 -1.145 25855 892 1 2 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.165 0.540 25855 893 1 2 . 1 1 175 175 ALA H H 175 7.960 7.960 8.366 -0.406 25855 894 1 2 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.189 -0.096 25855 895 1 2 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.703 -0.649 25855 896 1 2 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.613 0.457 25855 897 1 2 . 1 1 176 176 GLN H H 176 7.696 7.696 8.312 -0.616 25855 898 1 2 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.588 0.237 25855 899 1 2 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.918 -2.867 25855 900 1 2 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.107 0.961 25855 901 1 2 . 1 1 177 177 VAL H H 177 7.850 7.850 7.861 -0.011 25855 902 1 2 . 1 1 179 179 GLN H H 179 7.862 7.862 8.434 -0.572 25855 903 1 3 . 1 1 22 22 GLN H H 22 8.152 8.152 8.299 -0.147 25855 904 1 3 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.567 0.009 25855 905 1 3 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.305 -0.200 25855 906 1 3 . 1 1 23 23 GLU CB C 23 32.431 32.431 31.043 1.388 25855 907 1 3 . 1 1 23 23 GLU H H 23 7.926 7.926 8.444 -0.518 25855 908 1 3 . 1 1 24 24 THR HA H 24 5.298 5.298 5.267 0.031 25855 909 1 3 . 1 1 24 24 THR CA C 24 62.286 62.286 61.485 0.801 25855 910 1 3 . 1 1 24 24 THR CB C 24 70.759 70.759 71.291 -0.532 25855 911 1 3 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.810 -0.375 25855 912 1 3 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.328 1.293 25855 913 1 3 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.650 0.373 25855 914 1 3 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.442 0.097 25855 915 1 3 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.655 -2.513 25855 916 1 3 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.632 0.085 25855 917 1 3 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.509 1.126 25855 918 1 3 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.148 0.090 25855 919 1 3 . 1 1 27 27 VAL H H 27 9.339 9.339 7.861 1.478 25855 920 1 3 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.955 -0.044 25855 921 1 3 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.522 1.203 25855 922 1 3 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.600 -0.691 25855 923 1 3 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.847 0.039 25855 924 1 3 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.341 -0.227 25855 925 1 3 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.334 -0.418 25855 926 1 3 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.426 0.082 25855 927 1 3 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.944 -0.035 25855 928 1 3 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.682 0.159 25855 929 1 3 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.944 -0.351 25855 930 1 3 . 1 1 31 31 ALA CA C 31 55.496 55.496 55.166 0.330 25855 931 1 3 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.712 -0.641 25855 932 1 3 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.059 0.124 25855 933 1 3 . 1 1 32 32 GLN CA C 32 57.341 57.341 58.176 -0.835 25855 934 1 3 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.409 -0.542 25855 935 1 3 . 1 1 33 33 ALA HA H 33 3.958 3.958 3.795 0.163 25855 936 1 3 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.573 -3.157 25855 937 1 3 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.093 0.991 25855 938 1 3 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.646 -0.760 25855 939 1 3 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.857 1.485 25855 940 1 3 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.535 0.987 25855 941 1 3 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.287 -0.388 25855 942 1 3 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.183 -1.190 25855 943 1 3 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.488 -1.250 25855 944 1 3 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.002 -0.755 25855 945 1 3 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.763 -0.312 25855 946 1 3 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.825 -3.308 25855 947 1 3 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.132 -1.822 25855 948 1 3 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.024 -0.135 25855 949 1 3 . 1 1 38 38 ILE CA C 38 64.581 64.581 60.921 3.660 25855 950 1 3 . 1 1 38 38 ILE CB C 38 38.840 38.840 35.704 3.136 25855 951 1 3 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.025 1.127 25855 952 1 3 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.113 0.467 25855 953 1 3 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.883 0.487 25855 954 1 3 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.112 0.688 25855 955 1 3 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.137 0.205 25855 956 1 3 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.095 -2.862 25855 957 1 3 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.737 0.151 25855 958 1 3 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.573 1.065 25855 959 1 3 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.866 -0.616 25855 960 1 3 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.030 0.105 25855 961 1 3 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.519 0.084 25855 962 1 3 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.008 0.462 25855 963 1 3 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.160 -0.126 25855 964 1 3 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.027 0.015 25855 965 1 3 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.123 -0.038 25855 966 1 3 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.361 1.010 25855 967 1 3 . 1 1 49 49 SER HA H 49 4.183 4.183 4.047 0.136 25855 968 1 3 . 1 1 49 49 SER CA C 49 61.932 61.932 62.655 -0.723 25855 969 1 3 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.178 -0.019 25855 970 1 3 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.545 -0.114 25855 971 1 3 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.678 0.474 25855 972 1 3 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.211 0.111 25855 973 1 3 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.870 -1.050 25855 974 1 3 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.266 0.259 25855 975 1 3 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.338 -0.575 25855 976 1 3 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.217 1.161 25855 977 1 3 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.087 0.291 25855 978 1 3 . 1 1 52 52 ALA H H 52 8.465 8.465 7.848 0.617 25855 979 1 3 . 1 1 53 53 SER CB C 53 61.826 61.826 61.521 0.305 25855 980 1 3 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.752 0.180 25855 981 1 3 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.651 -1.518 25855 982 1 3 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.344 1.054 25855 983 1 3 . 1 1 55 55 SER HA H 55 4.766 4.766 4.862 -0.096 25855 984 1 3 . 1 1 55 55 SER CB C 55 63.541 63.541 63.736 -0.195 25855 985 1 3 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.497 0.495 25855 986 1 3 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.680 -0.489 25855 987 1 3 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.907 1.604 25855 988 1 3 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.739 0.015 25855 989 1 3 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.751 -0.096 25855 990 1 3 . 1 1 57 57 LYS CB C 57 36.326 36.326 33.845 2.481 25855 991 1 3 . 1 1 57 57 LYS H H 57 8.732 8.732 8.464 0.268 25855 992 1 3 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.236 0.475 25855 993 1 3 . 1 1 58 58 ILE CA C 58 60.597 60.597 60.309 0.288 25855 994 1 3 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.988 -1.524 25855 995 1 3 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.850 -0.342 25855 996 1 3 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.641 2.047 25855 997 1 3 . 1 1 59 59 ALA CB C 59 18.359 18.359 19.225 -0.866 25855 998 1 3 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.126 -0.087 25855 999 1 3 . 1 1 62 62 GLU CA C 62 58.958 58.958 57.773 1.185 25855 1000 1 3 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.197 0.233 25855 1001 1 3 . 1 1 63 63 THR HA H 63 4.786 4.786 4.638 0.148 25855 1002 1 3 . 1 1 63 63 THR CA C 63 58.498 58.498 59.490 -0.992 25855 1003 1 3 . 1 1 63 63 THR CB C 63 69.943 69.943 69.138 0.805 25855 1004 1 3 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.338 -0.049 25855 1005 1 3 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.518 0.215 25855 1006 1 3 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.684 -0.011 25855 1007 1 3 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.693 -0.053 25855 1008 1 3 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.783 -1.924 25855 1009 1 3 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.141 1.319 25855 1010 1 3 . 1 1 65 65 ASP H H 65 7.985 7.985 8.277 -0.292 25855 1011 1 3 . 1 1 66 66 SER CB C 66 63.942 63.942 63.455 0.487 25855 1012 1 3 . 1 1 66 66 SER H H 66 7.515 7.515 8.033 -0.518 25855 1013 1 3 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.221 0.122 25855 1014 1 3 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.306 -0.064 25855 1015 1 3 . 1 1 67 67 LYS CB C 67 32.803 32.803 33.031 -0.228 25855 1016 1 3 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.912 0.281 25855 1017 1 3 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.089 -0.117 25855 1018 1 3 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.470 0.746 25855 1019 1 3 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.757 -0.065 25855 1020 1 3 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.630 -2.357 25855 1021 1 3 . 1 1 69 69 ARG CB C 69 32.761 32.761 34.178 -1.417 25855 1022 1 3 . 1 1 70 70 MET HA H 70 3.798 3.798 4.976 -1.178 25855 1023 1 3 . 1 1 70 70 MET CA C 70 55.444 55.444 54.206 1.238 25855 1024 1 3 . 1 1 70 70 MET CB C 70 36.034 36.034 33.542 2.492 25855 1025 1 3 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.847 -0.535 25855 1026 1 3 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.157 1.740 25855 1027 1 3 . 1 1 72 72 VAL HA H 72 4.662 4.662 3.980 0.682 25855 1028 1 3 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.331 0.435 25855 1029 1 3 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.225 -0.761 25855 1030 1 3 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.964 -0.031 25855 1031 1 3 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.309 2.481 25855 1032 1 3 . 1 1 73 73 ILE CB C 73 40.101 40.101 40.633 -0.532 25855 1033 1 3 . 1 1 73 73 ILE H H 73 8.981 8.981 8.403 0.578 25855 1034 1 3 . 1 1 74 74 THR HA H 74 5.630 5.630 5.350 0.280 25855 1035 1 3 . 1 1 74 74 THR CA C 74 60.813 60.813 60.755 0.058 25855 1036 1 3 . 1 1 74 74 THR CB C 74 70.966 70.966 70.586 0.380 25855 1037 1 3 . 1 1 74 74 THR H H 74 9.227 9.227 8.792 0.435 25855 1038 1 3 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.570 -0.538 25855 1039 1 3 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.856 0.313 25855 1040 1 3 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.222 1.226 25855 1041 1 3 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.112 -0.545 25855 1042 1 3 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.275 -0.315 25855 1043 1 3 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.328 1.758 25855 1044 1 3 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.238 -0.103 25855 1045 1 3 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.285 0.614 25855 1046 1 3 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.554 0.476 25855 1047 1 3 . 1 1 78 78 GLU H H 78 9.555 9.555 8.951 0.604 25855 1048 1 3 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.238 0.131 25855 1049 1 3 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.937 -0.664 25855 1050 1 3 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.333 1.796 25855 1051 1 3 . 1 1 79 79 ALA H H 79 7.018 7.018 8.164 -1.146 25855 1052 1 3 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.061 -0.279 25855 1053 1 3 . 1 1 80 80 GLN CA C 80 58.141 58.141 59.122 -0.981 25855 1054 1 3 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.350 -0.246 25855 1055 1 3 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.584 -0.175 25855 1056 1 3 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.307 0.223 25855 1057 1 3 . 1 1 81 81 PHE H H 81 8.005 8.005 8.322 -0.317 25855 1058 1 3 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.936 0.061 25855 1059 1 3 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.304 0.707 25855 1060 1 3 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.022 -0.085 25855 1061 1 3 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.123 0.116 25855 1062 1 3 . 1 1 83 83 ALA CB C 83 19.027 19.027 17.804 1.223 25855 1063 1 3 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.179 1.247 25855 1064 1 3 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.067 0.088 25855 1065 1 3 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.126 -1.073 25855 1066 1 3 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.102 0.071 25855 1067 1 3 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.679 -0.195 25855 1068 1 3 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.023 0.679 25855 1069 1 3 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.192 0.190 25855 1070 1 3 . 1 1 87 87 ILE H H 87 7.681 7.681 8.158 -0.477 25855 1071 1 3 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.221 -0.423 25855 1072 1 3 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.325 1.661 25855 1073 1 3 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.919 0.185 25855 1074 1 3 . 1 1 88 88 TYR H H 88 8.021 8.021 8.324 -0.303 25855 1075 1 3 . 1 1 89 89 GLY H H 89 8.005 8.005 8.268 -0.263 25855 1076 1 3 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.319 -0.142 25855 1077 1 3 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.561 -1.143 25855 1078 1 3 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.012 -0.622 25855 1079 1 3 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.397 -0.259 25855 1080 1 3 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.964 -0.159 25855 1081 1 3 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.648 0.085 25855 1082 1 3 . 1 1 91 91 LEU H H 91 7.545 7.545 7.856 -0.311 25855 1083 1 3 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.108 0.208 25855 1084 1 3 . 1 1 92 92 LYS CA C 92 58.765 58.765 60.253 -1.488 25855 1085 1 3 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.430 -0.296 25855 1086 1 3 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.046 0.039 25855 1087 1 3 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.306 0.632 25855 1088 1 3 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.025 0.234 25855 1089 1 3 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.851 -0.457 25855 1090 1 3 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.397 0.138 25855 1091 1 3 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.561 -0.053 25855 1092 1 3 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.096 1.403 25855 1093 1 3 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.993 0.061 25855 1094 1 3 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.024 0.133 25855 1095 1 3 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.063 1.567 25855 1096 1 3 . 1 1 96 96 PHE CB C 96 38.473 38.473 38.870 -0.397 25855 1097 1 3 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.858 -0.307 25855 1098 1 3 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.788 0.304 25855 1099 1 3 . 1 1 97 97 PHE CB C 97 41.072 41.072 41.518 -0.446 25855 1100 1 3 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.774 -1.028 25855 1101 1 3 . 1 1 98 98 GLY H H 98 8.539 8.539 8.581 -0.042 25855 1102 1 3 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.322 0.056 25855 1103 1 3 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.773 0.167 25855 1104 1 3 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.714 0.277 25855 1105 1 3 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.320 0.039 25855 1106 1 3 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.768 0.138 25855 1107 1 3 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.108 -1.117 25855 1108 1 3 . 1 1 100 100 LYS H H 100 8.622 8.622 8.023 0.599 25855 1109 1 3 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.155 0.233 25855 1110 1 3 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.944 -1.038 25855 1111 1 3 . 1 1 101 101 GLU CB C 101 32.523 32.523 29.249 3.274 25855 1112 1 3 . 1 1 101 101 GLU H H 101 7.569 7.569 8.209 -0.640 25855 1113 1 3 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.116 0.180 25855 1114 1 3 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.709 -0.334 25855 1115 1 3 . 1 1 102 102 GLU CB C 102 30.397 30.397 29.729 0.668 25855 1116 1 3 . 1 1 102 102 GLU H H 102 8.440 8.440 8.036 0.404 25855 1117 1 3 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.610 -0.842 25855 1118 1 3 . 1 1 103 103 VAL CA C 103 63.346 63.346 60.834 2.511 25855 1119 1 3 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.663 -0.672 25855 1120 1 3 . 1 1 103 103 VAL H H 103 8.552 8.552 7.343 1.209 25855 1121 1 3 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.676 -0.062 25855 1122 1 3 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.484 0.891 25855 1123 1 3 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.747 3.433 25855 1124 1 3 . 1 1 104 104 LYS H H 104 6.924 6.924 8.370 -1.446 25855 1125 1 3 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.889 0.022 25855 1126 1 3 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.248 -0.531 25855 1127 1 3 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.242 0.035 25855 1128 1 3 . 1 1 106 106 GLU HA H 106 4.908 4.908 5.426 -0.518 25855 1129 1 3 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.212 2.843 25855 1130 1 3 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.092 0.978 25855 1131 1 3 . 1 1 106 106 GLU H H 106 8.982 8.982 8.544 0.438 25855 1132 1 3 . 1 1 107 107 THR HA H 107 5.524 5.524 4.626 0.898 25855 1133 1 3 . 1 1 107 107 THR CA C 107 61.220 61.220 63.026 -1.806 25855 1134 1 3 . 1 1 107 107 THR CB C 107 71.849 71.849 69.739 2.110 25855 1135 1 3 . 1 1 107 107 THR H H 107 9.357 9.357 8.713 0.644 25855 1136 1 3 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.662 0.399 25855 1137 1 3 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.365 -1.116 25855 1138 1 3 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.061 4.119 25855 1139 1 3 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.723 -0.083 25855 1140 1 3 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.761 0.334 25855 1141 1 3 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.501 0.526 25855 1142 1 3 . 1 1 109 109 ILE H H 109 8.818 8.818 8.683 0.135 25855 1143 1 3 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.249 -0.015 25855 1144 1 3 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.171 0.672 25855 1145 1 3 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.134 1.857 25855 1146 1 3 . 1 1 110 110 ARG H H 110 8.568 8.568 8.747 -0.179 25855 1147 1 3 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.744 0.130 25855 1148 1 3 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.799 -0.830 25855 1149 1 3 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.459 -0.874 25855 1150 1 3 . 1 1 111 111 VAL H H 111 8.935 8.935 8.220 0.715 25855 1151 1 3 . 1 1 112 112 PRO HA H 112 4.499 4.499 5.079 -0.580 25855 1152 1 3 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.242 1.104 25855 1153 1 3 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.831 0.160 25855 1154 1 3 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.002 -0.092 25855 1155 1 3 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.918 0.988 25855 1156 1 3 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.586 -0.412 25855 1157 1 3 . 1 1 113 113 ALA H H 113 9.220 9.220 9.189 0.031 25855 1158 1 3 . 1 1 114 114 SER HA H 114 4.210 4.210 4.223 -0.013 25855 1159 1 3 . 1 1 114 114 SER CA C 114 60.157 60.157 61.073 -0.916 25855 1160 1 3 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.676 -0.191 25855 1161 1 3 . 1 1 115 115 ALA CA C 115 52.186 52.186 50.791 1.395 25855 1162 1 3 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.626 1.673 25855 1163 1 3 . 1 1 115 115 ALA H H 115 7.752 7.752 7.790 -0.038 25855 1164 1 3 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.054 -0.467 25855 1165 1 3 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.326 0.049 25855 1166 1 3 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.772 -0.598 25855 1167 1 3 . 1 1 116 116 ALA H H 116 7.429 7.429 7.491 -0.062 25855 1168 1 3 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.080 1.260 25855 1169 1 3 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.319 -0.142 25855 1170 1 3 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.207 0.190 25855 1171 1 3 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.848 -0.196 25855 1172 1 3 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.886 0.054 25855 1173 1 3 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.387 0.604 25855 1174 1 3 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.055 -0.228 25855 1175 1 3 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.223 2.208 25855 1176 1 3 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.762 -2.700 25855 1177 1 3 . 1 1 121 121 GLY H H 121 7.924 7.924 8.144 -0.220 25855 1178 1 3 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.163 -0.016 25855 1179 1 3 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.663 0.256 25855 1180 1 3 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.447 0.041 25855 1181 1 3 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.845 -1.470 25855 1182 1 3 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.365 0.003 25855 1183 1 3 . 1 1 128 128 ASN H H 128 8.050 8.050 7.553 0.497 25855 1184 1 3 . 1 1 129 129 GLU H H 129 8.138 8.138 8.413 -0.275 25855 1185 1 3 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.247 -0.187 25855 1186 1 3 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.192 0.896 25855 1187 1 3 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.113 0.181 25855 1188 1 3 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.307 -0.212 25855 1189 1 3 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.701 0.580 25855 1190 1 3 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.512 -0.241 25855 1191 1 3 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.452 -0.301 25855 1192 1 3 . 1 1 134 134 THR HA H 134 4.324 4.324 4.354 -0.030 25855 1193 1 3 . 1 1 134 134 THR CA C 134 61.752 61.752 62.497 -0.745 25855 1194 1 3 . 1 1 134 134 THR CB C 134 70.047 70.047 69.809 0.238 25855 1195 1 3 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.009 0.098 25855 1196 1 3 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.435 1.345 25855 1197 1 3 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.068 1.106 25855 1198 1 3 . 1 1 135 135 ALA H H 135 8.013 8.013 7.432 0.581 25855 1199 1 3 . 1 1 136 136 ALA HA H 136 4.539 4.539 5.012 -0.473 25855 1200 1 3 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.364 0.759 25855 1201 1 3 . 1 1 136 136 ALA CB C 136 19.768 19.768 20.738 -0.970 25855 1202 1 3 . 1 1 136 136 ALA H H 136 8.011 8.011 7.834 0.177 25855 1203 1 3 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.448 -0.017 25855 1204 1 3 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.144 5.099 25855 1205 1 3 . 1 1 137 137 GLU H H 137 8.439 8.439 8.871 -0.432 25855 1206 1 3 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.629 0.253 25855 1207 1 3 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.789 -0.570 25855 1208 1 3 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.362 1.223 25855 1209 1 3 . 1 1 138 138 VAL H H 138 8.280 8.280 8.487 -0.207 25855 1210 1 3 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.456 -0.235 25855 1211 1 3 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.912 -0.223 25855 1212 1 3 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.830 2.413 25855 1213 1 3 . 1 1 139 139 VAL H H 139 9.055 9.055 9.135 -0.080 25855 1214 1 3 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.609 0.013 25855 1215 1 3 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.918 0.645 25855 1216 1 3 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.281 -0.290 25855 1217 1 3 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.905 -0.676 25855 1218 1 3 . 1 1 141 141 PRO CA C 141 63.346 63.346 61.938 1.408 25855 1219 1 3 . 1 1 141 141 PRO CB C 141 31.460 31.460 31.728 -0.268 25855 1220 1 3 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.129 0.105 25855 1221 1 3 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.314 0.123 25855 1222 1 3 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.192 1.736 25855 1223 1 3 . 1 1 142 142 ARG H H 142 8.499 8.499 8.187 0.312 25855 1224 1 3 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.419 -0.009 25855 1225 1 3 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.468 -1.156 25855 1226 1 3 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.170 -0.739 25855 1227 1 3 . 1 1 143 143 ASP H H 143 8.691 8.691 8.287 0.404 25855 1228 1 3 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.386 -0.021 25855 1229 1 3 . 1 1 144 144 GLN CA C 144 55.056 55.056 57.230 -2.174 25855 1230 1 3 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.461 1.608 25855 1231 1 3 . 1 1 144 144 GLN H H 144 7.898 7.898 8.142 -0.244 25855 1232 1 3 . 1 1 145 145 THR HA H 145 4.619 4.619 4.574 0.045 25855 1233 1 3 . 1 1 145 145 THR CA C 145 59.626 59.626 60.439 -0.813 25855 1234 1 3 . 1 1 145 145 THR CB C 145 70.255 70.255 68.569 1.686 25855 1235 1 3 . 1 1 145 145 THR H H 145 8.695 8.695 7.910 0.785 25855 1236 1 3 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.478 -0.138 25855 1237 1 3 . 1 1 146 146 PRO CA C 146 62.815 62.815 63.269 -0.454 25855 1238 1 3 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.822 -0.273 25855 1239 1 3 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.015 -0.298 25855 1240 1 3 . 1 1 147 147 ASP CB C 147 41.026 41.026 43.115 -2.089 25855 1241 1 3 . 1 1 147 147 ASP H H 147 8.506 8.506 8.167 0.339 25855 1242 1 3 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.037 0.133 25855 1243 1 3 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.376 -0.813 25855 1244 1 3 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.411 -1.140 25855 1245 1 3 . 1 1 148 148 GLU H H 148 9.159 9.159 8.874 0.285 25855 1246 1 3 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.572 0.364 25855 1247 1 3 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.230 0.487 25855 1248 1 3 . 1 1 149 149 ASN CB C 149 39.431 39.431 37.156 2.276 25855 1249 1 3 . 1 1 149 149 ASN H H 149 8.364 8.364 7.784 0.580 25855 1250 1 3 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.847 -0.076 25855 1251 1 3 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.695 -0.195 25855 1252 1 3 . 1 1 150 150 GLU CB C 150 27.850 27.850 26.926 0.924 25855 1253 1 3 . 1 1 150 150 GLU H H 150 8.542 8.542 7.974 0.568 25855 1254 1 3 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.338 -0.317 25855 1255 1 3 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.447 0.396 25855 1256 1 3 . 1 1 151 151 GLN CB C 151 31.069 31.069 31.394 -0.325 25855 1257 1 3 . 1 1 151 151 GLN H H 151 8.441 8.441 8.250 0.191 25855 1258 1 3 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.613 -0.031 25855 1259 1 3 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.141 -0.578 25855 1260 1 3 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.506 -1.389 25855 1261 1 3 . 1 1 152 152 VAL H H 152 8.999 8.999 9.157 -0.158 25855 1262 1 3 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.600 0.028 25855 1263 1 3 . 1 1 153 153 ILE CA C 153 61.220 61.220 58.692 2.528 25855 1264 1 3 . 1 1 153 153 ILE CB C 153 40.494 40.494 37.607 2.887 25855 1265 1 3 . 1 1 153 153 ILE H H 153 8.972 8.972 7.746 1.226 25855 1266 1 3 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.423 -0.189 25855 1267 1 3 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.882 0.870 25855 1268 1 3 . 1 1 154 154 VAL CB C 154 33.585 33.585 33.809 -0.224 25855 1269 1 3 . 1 1 154 154 VAL H H 154 8.557 8.557 8.315 0.242 25855 1270 1 3 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.222 -0.068 25855 1271 1 3 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.685 0.158 25855 1272 1 3 . 1 1 155 155 LYS CB C 155 34.648 34.648 34.902 -0.254 25855 1273 1 3 . 1 1 155 155 LYS H H 155 8.951 8.951 9.055 -0.104 25855 1274 1 3 . 1 1 156 156 ILE HA H 156 5.035 5.035 4.758 0.277 25855 1275 1 3 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.430 -0.273 25855 1276 1 3 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.813 1.744 25855 1277 1 3 . 1 1 156 156 ILE H H 156 9.538 9.538 8.749 0.789 25855 1278 1 3 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.529 -0.428 25855 1279 1 3 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.290 2.399 25855 1280 1 3 . 1 1 157 157 ILE CB C 157 40.494 40.494 36.803 3.691 25855 1281 1 3 . 1 1 157 157 ILE H H 157 9.468 9.468 8.856 0.612 25855 1282 1 3 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.421 0.388 25855 1283 1 3 . 1 1 158 158 GLY H H 158 8.236 8.236 7.862 0.374 25855 1284 1 3 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.520 1.025 25855 1285 1 3 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.803 1.572 25855 1286 1 3 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.359 -0.899 25855 1287 1 3 . 1 1 159 159 HIS H H 159 7.986 7.986 7.957 0.029 25855 1288 1 3 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.925 -0.739 25855 1289 1 3 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.944 0.339 25855 1290 1 3 . 1 1 160 160 PHE CB C 160 38.368 38.368 39.250 -0.882 25855 1291 1 3 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.855 -0.415 25855 1292 1 3 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.273 1.010 25855 1293 1 3 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.770 0.067 25855 1294 1 3 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.822 0.230 25855 1295 1 3 . 1 1 162 162 ALA CA C 162 54.843 54.843 55.145 -0.302 25855 1296 1 3 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.998 0.707 25855 1297 1 3 . 1 1 162 162 ALA H H 162 7.458 7.458 8.328 -0.870 25855 1298 1 3 . 1 1 163 163 SER HA H 163 3.832 3.832 4.015 -0.183 25855 1299 1 3 . 1 1 163 163 SER CA C 163 60.050 60.050 61.982 -1.932 25855 1300 1 3 . 1 1 163 163 SER CB C 163 63.346 63.346 63.230 0.116 25855 1301 1 3 . 1 1 163 163 SER H H 163 8.403 8.403 8.346 0.057 25855 1302 1 3 . 1 1 164 164 GLN HA H 164 3.610 3.610 3.915 -0.305 25855 1303 1 3 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.820 -0.257 25855 1304 1 3 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.427 -21.832 25855 1305 1 3 . 1 1 165 165 MET HA H 165 4.048 4.048 3.988 0.060 25855 1306 1 3 . 1 1 165 165 MET CA C 165 58.563 58.563 57.277 1.286 25855 1307 1 3 . 1 1 165 165 MET CB C 165 31.991 31.991 32.048 -0.057 25855 1308 1 3 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.865 0.053 25855 1309 1 3 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.244 -0.168 25855 1310 1 3 . 1 1 166 166 ALA H H 166 8.208 8.208 8.126 0.082 25855 1311 1 3 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.988 -0.360 25855 1312 1 3 . 1 1 167 167 GLN CA C 167 60.157 60.157 58.947 1.210 25855 1313 1 3 . 1 1 167 167 GLN H H 167 8.393 8.393 8.551 -0.158 25855 1314 1 3 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.065 -0.175 25855 1315 1 3 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.318 -6.282 25855 1316 1 3 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.165 -0.300 25855 1317 1 3 . 1 1 168 168 ARG H H 168 8.220 8.220 7.855 0.365 25855 1318 1 3 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.114 0.019 25855 1319 1 3 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.383 0.180 25855 1320 1 3 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.034 -0.043 25855 1321 1 3 . 1 1 169 169 LYS H H 169 8.042 8.042 8.194 -0.152 25855 1322 1 3 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.900 -0.370 25855 1323 1 3 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.861 0.611 25855 1324 1 3 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.562 -0.788 25855 1325 1 3 . 1 1 170 170 ILE H H 170 8.190 8.190 8.711 -0.521 25855 1326 1 3 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.004 -0.137 25855 1327 1 3 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.347 0.703 25855 1328 1 3 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.563 -0.229 25855 1329 1 3 . 1 1 171 171 ARG H H 171 7.984 7.984 8.133 -0.149 25855 1330 1 3 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.405 0.024 25855 1331 1 3 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.310 0.189 25855 1332 1 3 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.732 -0.238 25855 1333 1 3 . 1 1 172 172 ASP H H 172 7.993 7.993 8.053 -0.060 25855 1334 1 3 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.591 0.059 25855 1335 1 3 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.296 0.176 25855 1336 1 3 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.788 0.580 25855 1337 1 3 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.800 0.095 25855 1338 1 3 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.197 -0.697 25855 1339 1 3 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.694 -0.668 25855 1340 1 3 . 1 1 174 174 LEU H H 174 8.270 8.270 8.168 0.102 25855 1341 1 3 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.895 0.249 25855 1342 1 3 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.359 -1.304 25855 1343 1 3 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.135 0.570 25855 1344 1 3 . 1 1 175 175 ALA H H 175 7.960 7.960 8.455 -0.495 25855 1345 1 3 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.033 0.060 25855 1346 1 3 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.178 -0.124 25855 1347 1 3 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.030 1.040 25855 1348 1 3 . 1 1 176 176 GLN H H 176 7.696 7.696 8.217 -0.521 25855 1349 1 3 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.730 0.095 25855 1350 1 3 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.643 -2.592 25855 1351 1 3 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.202 0.866 25855 1352 1 3 . 1 1 177 177 VAL H H 177 7.850 7.850 8.741 -0.891 25855 1353 1 3 . 1 1 179 179 GLN H H 179 7.862 7.862 8.111 -0.249 25855 1354 1 4 . 1 1 22 22 GLN H H 22 8.152 8.152 8.389 -0.237 25855 1355 1 4 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.625 -0.049 25855 1356 1 4 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.265 -0.160 25855 1357 1 4 . 1 1 23 23 GLU CB C 23 32.431 32.431 32.255 0.176 25855 1358 1 4 . 1 1 23 23 GLU H H 23 7.926 7.926 8.204 -0.278 25855 1359 1 4 . 1 1 24 24 THR HA H 24 5.298 5.298 5.376 -0.078 25855 1360 1 4 . 1 1 24 24 THR CA C 24 62.286 62.286 61.536 0.750 25855 1361 1 4 . 1 1 24 24 THR CB C 24 70.759 70.759 69.834 0.925 25855 1362 1 4 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.465 -0.030 25855 1363 1 4 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.385 0.236 25855 1364 1 4 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.193 0.830 25855 1365 1 4 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.347 0.192 25855 1366 1 4 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.976 -1.834 25855 1367 1 4 . 1 1 27 27 VAL HA H 27 4.717 4.717 5.062 -0.345 25855 1368 1 4 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.249 1.386 25855 1369 1 4 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.431 -0.193 25855 1370 1 4 . 1 1 27 27 VAL H H 27 9.339 9.339 7.894 1.445 25855 1371 1 4 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.880 0.031 25855 1372 1 4 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.083 0.642 25855 1373 1 4 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.772 -0.863 25855 1374 1 4 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.881 0.005 25855 1375 1 4 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.205 -0.091 25855 1376 1 4 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.828 -0.913 25855 1377 1 4 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.305 0.203 25855 1378 1 4 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.457 -0.548 25855 1379 1 4 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.634 0.206 25855 1380 1 4 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.951 -0.358 25855 1381 1 4 . 1 1 31 31 ALA CA C 31 55.496 55.496 55.159 0.337 25855 1382 1 4 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.814 -0.743 25855 1383 1 4 . 1 1 32 32 GLN HA H 32 4.183 4.183 3.991 0.192 25855 1384 1 4 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.882 -0.541 25855 1385 1 4 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.218 -0.351 25855 1386 1 4 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.201 -0.243 25855 1387 1 4 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.687 -3.271 25855 1388 1 4 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.131 0.953 25855 1389 1 4 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.584 -0.698 25855 1390 1 4 . 1 1 34 34 VAL CA C 34 67.342 67.342 66.403 0.939 25855 1391 1 4 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.161 0.361 25855 1392 1 4 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.423 -0.524 25855 1393 1 4 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.216 -1.223 25855 1394 1 4 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.650 -1.412 25855 1395 1 4 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.014 -0.767 25855 1396 1 4 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.944 -0.493 25855 1397 1 4 . 1 1 37 37 ILE CA C 37 60.517 60.517 64.383 -3.866 25855 1398 1 4 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.270 -1.960 25855 1399 1 4 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.146 -0.257 25855 1400 1 4 . 1 1 38 38 ILE CA C 38 64.581 64.581 61.641 2.940 25855 1401 1 4 . 1 1 38 38 ILE CB C 38 38.840 38.840 37.240 1.600 25855 1402 1 4 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.648 0.504 25855 1403 1 4 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.953 0.627 25855 1404 1 4 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.712 -0.342 25855 1405 1 4 . 1 1 41 41 LYS CB C 41 32.800 32.800 34.324 -1.524 25855 1406 1 4 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.195 0.147 25855 1407 1 4 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.931 -2.698 25855 1408 1 4 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.816 0.072 25855 1409 1 4 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.555 1.083 25855 1410 1 4 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.886 -0.637 25855 1411 1 4 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.297 -0.161 25855 1412 1 4 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.752 0.851 25855 1413 1 4 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.155 0.315 25855 1414 1 4 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.117 -0.083 25855 1415 1 4 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.015 0.027 25855 1416 1 4 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.967 0.118 25855 1417 1 4 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.397 0.974 25855 1418 1 4 . 1 1 49 49 SER HA H 49 4.183 4.183 4.116 0.067 25855 1419 1 4 . 1 1 49 49 SER CA C 49 61.932 61.932 61.533 0.399 25855 1420 1 4 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.125 0.034 25855 1421 1 4 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.353 0.078 25855 1422 1 4 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.597 0.555 25855 1423 1 4 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.204 0.118 25855 1424 1 4 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.850 -1.031 25855 1425 1 4 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.111 0.414 25855 1426 1 4 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.236 -0.473 25855 1427 1 4 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.690 0.688 25855 1428 1 4 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.817 0.561 25855 1429 1 4 . 1 1 52 52 ALA H H 52 8.465 8.465 7.596 0.869 25855 1430 1 4 . 1 1 53 53 SER CB C 53 61.826 61.826 60.918 0.908 25855 1431 1 4 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.669 0.263 25855 1432 1 4 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.671 -1.538 25855 1433 1 4 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.136 1.262 25855 1434 1 4 . 1 1 55 55 SER HA H 55 4.766 4.766 4.891 -0.125 25855 1435 1 4 . 1 1 55 55 SER CB C 55 63.541 63.541 64.354 -0.813 25855 1436 1 4 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.915 0.077 25855 1437 1 4 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.023 0.168 25855 1438 1 4 . 1 1 56 56 ILE CB C 56 40.511 40.511 41.182 -0.671 25855 1439 1 4 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.706 0.048 25855 1440 1 4 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.789 -0.134 25855 1441 1 4 . 1 1 57 57 LYS CB C 57 36.326 36.326 35.096 1.230 25855 1442 1 4 . 1 1 57 57 LYS H H 57 8.732 8.732 8.523 0.209 25855 1443 1 4 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.399 0.312 25855 1444 1 4 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.827 0.770 25855 1445 1 4 . 1 1 58 58 ILE CB C 58 37.464 37.464 37.340 0.124 25855 1446 1 4 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.636 -0.128 25855 1447 1 4 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.170 2.518 25855 1448 1 4 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.298 0.061 25855 1449 1 4 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.117 -0.078 25855 1450 1 4 . 1 1 62 62 GLU CA C 62 58.958 58.958 57.624 1.334 25855 1451 1 4 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.275 0.155 25855 1452 1 4 . 1 1 63 63 THR HA H 63 4.786 4.786 4.619 0.167 25855 1453 1 4 . 1 1 63 63 THR CA C 63 58.498 58.498 59.392 -0.894 25855 1454 1 4 . 1 1 63 63 THR CB C 63 69.943 69.943 69.043 0.900 25855 1455 1 4 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.329 -0.040 25855 1456 1 4 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.097 0.636 25855 1457 1 4 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.503 0.170 25855 1458 1 4 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.609 0.031 25855 1459 1 4 . 1 1 65 65 ASP CA C 65 52.859 52.859 55.754 -2.895 25855 1460 1 4 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.753 0.707 25855 1461 1 4 . 1 1 65 65 ASP H H 65 7.985 7.985 7.675 0.310 25855 1462 1 4 . 1 1 66 66 SER CB C 66 63.942 63.942 62.560 1.382 25855 1463 1 4 . 1 1 66 66 SER H H 66 7.515 7.515 7.795 -0.280 25855 1464 1 4 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.181 0.162 25855 1465 1 4 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.637 -0.395 25855 1466 1 4 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.790 0.013 25855 1467 1 4 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.534 0.659 25855 1468 1 4 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.739 -0.767 25855 1469 1 4 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.396 0.820 25855 1470 1 4 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.796 -0.104 25855 1471 1 4 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.932 -2.659 25855 1472 1 4 . 1 1 69 69 ARG CB C 69 32.761 32.761 34.050 -1.289 25855 1473 1 4 . 1 1 70 70 MET HA H 70 3.798 3.798 5.172 -1.374 25855 1474 1 4 . 1 1 70 70 MET CA C 70 55.444 55.444 54.134 1.310 25855 1475 1 4 . 1 1 70 70 MET CB C 70 36.034 36.034 34.119 1.915 25855 1476 1 4 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.954 -0.642 25855 1477 1 4 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.108 1.789 25855 1478 1 4 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.186 0.476 25855 1479 1 4 . 1 1 72 72 VAL CA C 72 61.766 61.766 62.220 -0.454 25855 1480 1 4 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.684 -0.220 25855 1481 1 4 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.731 0.202 25855 1482 1 4 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.823 1.967 25855 1483 1 4 . 1 1 73 73 ILE CB C 73 40.101 40.101 37.688 2.413 25855 1484 1 4 . 1 1 73 73 ILE H H 73 8.981 8.981 9.228 -0.247 25855 1485 1 4 . 1 1 74 74 THR HA H 74 5.630 5.630 5.024 0.606 25855 1486 1 4 . 1 1 74 74 THR CA C 74 60.813 60.813 61.029 -0.215 25855 1487 1 4 . 1 1 74 74 THR CB C 74 70.966 70.966 70.961 0.005 25855 1488 1 4 . 1 1 74 74 THR H H 74 9.227 9.227 8.865 0.362 25855 1489 1 4 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.240 -0.208 25855 1490 1 4 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.875 0.294 25855 1491 1 4 . 1 1 76 76 PRO CA C 76 62.448 62.448 60.961 1.488 25855 1492 1 4 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.945 -0.379 25855 1493 1 4 . 1 1 77 77 PRO HA H 77 3.960 3.960 3.847 0.113 25855 1494 1 4 . 1 1 77 77 PRO CA C 77 67.086 67.086 64.825 2.261 25855 1495 1 4 . 1 1 78 78 GLU HA H 78 4.135 4.135 3.730 0.405 25855 1496 1 4 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.322 0.577 25855 1497 1 4 . 1 1 78 78 GLU CB C 78 29.030 29.030 27.963 1.067 25855 1498 1 4 . 1 1 78 78 GLU H H 78 9.555 9.555 8.613 0.942 25855 1499 1 4 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.016 0.353 25855 1500 1 4 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.696 -0.423 25855 1501 1 4 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.364 1.765 25855 1502 1 4 . 1 1 79 79 ALA H H 79 7.018 7.018 7.656 -0.638 25855 1503 1 4 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.149 -0.367 25855 1504 1 4 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.405 -0.264 25855 1505 1 4 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.346 -0.242 25855 1506 1 4 . 1 1 81 81 PHE CA C 81 61.409 61.409 58.961 2.448 25855 1507 1 4 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.049 1.481 25855 1508 1 4 . 1 1 81 81 PHE H H 81 8.005 8.005 8.239 -0.234 25855 1509 1 4 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.164 -0.167 25855 1510 1 4 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.362 0.649 25855 1511 1 4 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.072 -0.135 25855 1512 1 4 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.345 -0.106 25855 1513 1 4 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.217 0.810 25855 1514 1 4 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.937 0.489 25855 1515 1 4 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.198 -0.043 25855 1516 1 4 . 1 1 86 86 ARG CA C 86 57.053 57.053 59.579 -2.526 25855 1517 1 4 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.481 -0.308 25855 1518 1 4 . 1 1 87 87 ILE HA H 87 3.484 3.484 4.005 -0.521 25855 1519 1 4 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.559 2.143 25855 1520 1 4 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.405 -0.023 25855 1521 1 4 . 1 1 87 87 ILE H H 87 7.681 7.681 8.269 -0.588 25855 1522 1 4 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.197 -0.399 25855 1523 1 4 . 1 1 88 88 TYR CA C 88 62.987 62.987 62.367 0.620 25855 1524 1 4 . 1 1 88 88 TYR CB C 88 38.104 38.104 38.244 -0.140 25855 1525 1 4 . 1 1 88 88 TYR H H 88 8.021 8.021 8.672 -0.651 25855 1526 1 4 . 1 1 89 89 GLY H H 89 8.005 8.005 8.588 -0.583 25855 1527 1 4 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.434 -0.257 25855 1528 1 4 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.480 -1.062 25855 1529 1 4 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.277 -0.887 25855 1530 1 4 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.175 -0.037 25855 1531 1 4 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.350 -0.545 25855 1532 1 4 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.672 -0.939 25855 1533 1 4 . 1 1 91 91 LEU H H 91 7.545 7.545 7.858 -0.313 25855 1534 1 4 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.032 0.284 25855 1535 1 4 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.033 -0.268 25855 1536 1 4 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.228 -0.094 25855 1537 1 4 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.064 0.021 25855 1538 1 4 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.058 0.880 25855 1539 1 4 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.011 0.248 25855 1540 1 4 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.222 0.172 25855 1541 1 4 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.600 -0.065 25855 1542 1 4 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.126 0.382 25855 1543 1 4 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.784 1.715 25855 1544 1 4 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.605 0.450 25855 1545 1 4 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.306 -0.149 25855 1546 1 4 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.434 1.196 25855 1547 1 4 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.796 -1.323 25855 1548 1 4 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.948 -0.397 25855 1549 1 4 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.366 0.726 25855 1550 1 4 . 1 1 97 97 PHE CB C 97 41.072 41.072 40.983 0.089 25855 1551 1 4 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.245 -1.500 25855 1552 1 4 . 1 1 98 98 GLY H H 98 8.539 8.539 8.480 0.059 25855 1553 1 4 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.290 0.088 25855 1554 1 4 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.587 0.353 25855 1555 1 4 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.039 -0.048 25855 1556 1 4 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.477 -0.118 25855 1557 1 4 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.599 -0.693 25855 1558 1 4 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.160 -1.169 25855 1559 1 4 . 1 1 100 100 LYS H H 100 8.622 8.622 8.271 0.351 25855 1560 1 4 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.579 -0.191 25855 1561 1 4 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.345 0.561 25855 1562 1 4 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.072 0.451 25855 1563 1 4 . 1 1 101 101 GLU H H 101 7.569 7.569 7.911 -0.342 25855 1564 1 4 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.466 -0.170 25855 1565 1 4 . 1 1 102 102 GLU CA C 102 55.375 55.375 54.541 0.834 25855 1566 1 4 . 1 1 102 102 GLU CB C 102 30.397 30.397 33.260 -2.863 25855 1567 1 4 . 1 1 102 102 GLU H H 102 8.440 8.440 8.164 0.276 25855 1568 1 4 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.706 -0.938 25855 1569 1 4 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.942 0.404 25855 1570 1 4 . 1 1 103 103 VAL CB C 103 31.991 31.991 31.971 0.020 25855 1571 1 4 . 1 1 103 103 VAL H H 103 8.552 8.552 7.927 0.625 25855 1572 1 4 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.669 -0.055 25855 1573 1 4 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.900 0.475 25855 1574 1 4 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.354 2.826 25855 1575 1 4 . 1 1 104 104 LYS H H 104 6.924 6.924 8.253 -1.329 25855 1576 1 4 . 1 1 105 105 LEU HA H 105 4.911 4.911 5.143 -0.232 25855 1577 1 4 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.132 -0.415 25855 1578 1 4 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.384 -0.107 25855 1579 1 4 . 1 1 106 106 GLU HA H 106 4.908 4.908 5.255 -0.347 25855 1580 1 4 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.723 2.332 25855 1581 1 4 . 1 1 106 106 GLU CB C 106 32.070 32.070 32.004 0.066 25855 1582 1 4 . 1 1 106 106 GLU H H 106 8.982 8.982 8.523 0.459 25855 1583 1 4 . 1 1 107 107 THR HA H 107 5.524 5.524 4.749 0.775 25855 1584 1 4 . 1 1 107 107 THR CA C 107 61.220 61.220 62.989 -1.769 25855 1585 1 4 . 1 1 107 107 THR CB C 107 71.849 71.849 69.227 2.622 25855 1586 1 4 . 1 1 107 107 THR H H 107 9.357 9.357 8.358 0.999 25855 1587 1 4 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.255 0.806 25855 1588 1 4 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.926 -1.677 25855 1589 1 4 . 1 1 108 108 HIS CB C 108 35.180 35.180 30.746 4.434 25855 1590 1 4 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.514 0.126 25855 1591 1 4 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.634 -0.539 25855 1592 1 4 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.078 -0.052 25855 1593 1 4 . 1 1 109 109 ILE H H 109 8.818 8.818 8.972 -0.154 25855 1594 1 4 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.423 0.811 25855 1595 1 4 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.627 -0.784 25855 1596 1 4 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.476 2.515 25855 1597 1 4 . 1 1 110 110 ARG H H 110 8.568 8.568 8.577 -0.009 25855 1598 1 4 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.734 0.140 25855 1599 1 4 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.097 -1.128 25855 1600 1 4 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.381 -0.796 25855 1601 1 4 . 1 1 111 111 VAL H H 111 8.935 8.935 8.642 0.293 25855 1602 1 4 . 1 1 112 112 PRO HA H 112 4.499 4.499 5.000 -0.501 25855 1603 1 4 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.051 1.295 25855 1604 1 4 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.939 0.052 25855 1605 1 4 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.059 -0.149 25855 1606 1 4 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.830 1.076 25855 1607 1 4 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.683 -0.509 25855 1608 1 4 . 1 1 113 113 ALA H H 113 9.220 9.220 9.123 0.097 25855 1609 1 4 . 1 1 114 114 SER HA H 114 4.210 4.210 4.187 0.023 25855 1610 1 4 . 1 1 114 114 SER CA C 114 60.157 60.157 60.328 -0.171 25855 1611 1 4 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.662 -0.177 25855 1612 1 4 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.575 0.611 25855 1613 1 4 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.997 0.301 25855 1614 1 4 . 1 1 115 115 ALA H H 115 7.752 7.752 7.928 -0.176 25855 1615 1 4 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.093 -0.506 25855 1616 1 4 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.388 -0.013 25855 1617 1 4 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.580 -0.406 25855 1618 1 4 . 1 1 116 116 ALA H H 116 7.429 7.429 7.503 -0.074 25855 1619 1 4 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.898 0.442 25855 1620 1 4 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.369 -0.192 25855 1621 1 4 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.039 0.358 25855 1622 1 4 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.853 -0.201 25855 1623 1 4 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.186 -0.246 25855 1624 1 4 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.049 -0.058 25855 1625 1 4 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.360 -0.533 25855 1626 1 4 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.542 1.889 25855 1627 1 4 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.652 -1.590 25855 1628 1 4 . 1 1 121 121 GLY H H 121 7.924 7.924 7.584 0.340 25855 1629 1 4 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.244 -0.097 25855 1630 1 4 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.748 0.171 25855 1631 1 4 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.451 0.037 25855 1632 1 4 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.205 -0.829 25855 1633 1 4 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.571 -0.203 25855 1634 1 4 . 1 1 128 128 ASN H H 128 8.050 8.050 7.711 0.339 25855 1635 1 4 . 1 1 129 129 GLU H H 129 8.138 8.138 8.075 0.063 25855 1636 1 4 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.216 -0.156 25855 1637 1 4 . 1 1 130 130 LEU CB C 130 42.088 42.088 42.286 -0.198 25855 1638 1 4 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.079 0.215 25855 1639 1 4 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.326 -0.231 25855 1640 1 4 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.681 0.600 25855 1641 1 4 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.489 -0.218 25855 1642 1 4 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.803 0.348 25855 1643 1 4 . 1 1 134 134 THR HA H 134 4.324 4.324 4.568 -0.244 25855 1644 1 4 . 1 1 134 134 THR CA C 134 61.752 61.752 62.378 -0.626 25855 1645 1 4 . 1 1 134 134 THR CB C 134 70.047 70.047 69.754 0.293 25855 1646 1 4 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.147 -0.040 25855 1647 1 4 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.632 1.149 25855 1648 1 4 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.975 1.199 25855 1649 1 4 . 1 1 135 135 ALA H H 135 8.013 8.013 7.371 0.642 25855 1650 1 4 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.521 0.018 25855 1651 1 4 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.518 0.605 25855 1652 1 4 . 1 1 136 136 ALA CB C 136 19.768 19.768 20.699 -0.931 25855 1653 1 4 . 1 1 136 136 ALA H H 136 8.011 8.011 7.736 0.276 25855 1654 1 4 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.574 -0.143 25855 1655 1 4 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.284 4.959 25855 1656 1 4 . 1 1 137 137 GLU H H 137 8.439 8.439 8.694 -0.255 25855 1657 1 4 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.280 0.602 25855 1658 1 4 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.395 -0.175 25855 1659 1 4 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.906 1.679 25855 1660 1 4 . 1 1 138 138 VAL H H 138 8.280 8.280 8.497 -0.217 25855 1661 1 4 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.475 -0.254 25855 1662 1 4 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.785 -0.097 25855 1663 1 4 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.962 2.281 25855 1664 1 4 . 1 1 139 139 VAL H H 139 9.055 9.055 8.902 0.153 25855 1665 1 4 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.906 -0.284 25855 1666 1 4 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.481 1.082 25855 1667 1 4 . 1 1 140 140 VAL CB C 140 31.991 31.991 34.033 -2.042 25855 1668 1 4 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.451 -0.222 25855 1669 1 4 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.639 0.707 25855 1670 1 4 . 1 1 141 141 PRO CB C 141 31.460 31.460 31.493 -0.033 25855 1671 1 4 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.278 -0.044 25855 1672 1 4 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.364 0.073 25855 1673 1 4 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.483 1.444 25855 1674 1 4 . 1 1 142 142 ARG H H 142 8.499 8.499 8.568 -0.069 25855 1675 1 4 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.598 -0.188 25855 1676 1 4 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.203 0.109 25855 1677 1 4 . 1 1 143 143 ASP CB C 143 39.431 39.431 43.078 -3.647 25855 1678 1 4 . 1 1 143 143 ASP H H 143 8.691 8.691 8.165 0.526 25855 1679 1 4 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.373 -0.008 25855 1680 1 4 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.597 -1.541 25855 1681 1 4 . 1 1 144 144 GLN CB C 144 31.069 31.069 28.409 2.660 25855 1682 1 4 . 1 1 144 144 GLN H H 144 7.898 7.898 8.509 -0.611 25855 1683 1 4 . 1 1 145 145 THR HA H 145 4.619 4.619 4.685 -0.066 25855 1684 1 4 . 1 1 145 145 THR CA C 145 59.626 59.626 59.429 0.197 25855 1685 1 4 . 1 1 145 145 THR CB C 145 70.255 70.255 68.829 1.426 25855 1686 1 4 . 1 1 145 145 THR H H 145 8.695 8.695 7.960 0.735 25855 1687 1 4 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.420 -0.080 25855 1688 1 4 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.940 -0.125 25855 1689 1 4 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.590 -0.041 25855 1690 1 4 . 1 1 147 147 ASP CA C 147 52.717 52.717 52.616 0.101 25855 1691 1 4 . 1 1 147 147 ASP CB C 147 41.026 41.026 42.673 -1.647 25855 1692 1 4 . 1 1 147 147 ASP H H 147 8.506 8.506 8.095 0.411 25855 1693 1 4 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.014 0.156 25855 1694 1 4 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.974 -0.411 25855 1695 1 4 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.443 -1.172 25855 1696 1 4 . 1 1 148 148 GLU H H 148 9.159 9.159 8.693 0.466 25855 1697 1 4 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.858 0.078 25855 1698 1 4 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.880 -0.163 25855 1699 1 4 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.839 0.592 25855 1700 1 4 . 1 1 149 149 ASN H H 149 8.364 8.364 7.985 0.379 25855 1701 1 4 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.928 -0.157 25855 1702 1 4 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.539 -0.039 25855 1703 1 4 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.366 0.484 25855 1704 1 4 . 1 1 150 150 GLU H H 150 8.542 8.542 8.268 0.274 25855 1705 1 4 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.073 -0.052 25855 1706 1 4 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.722 0.121 25855 1707 1 4 . 1 1 151 151 GLN CB C 151 31.069 31.069 30.856 0.213 25855 1708 1 4 . 1 1 151 151 GLN H H 151 8.441 8.441 7.992 0.449 25855 1709 1 4 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.600 -0.018 25855 1710 1 4 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.494 -0.931 25855 1711 1 4 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.103 -0.986 25855 1712 1 4 . 1 1 152 152 VAL H H 152 8.999 8.999 9.266 -0.267 25855 1713 1 4 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.987 -0.359 25855 1714 1 4 . 1 1 153 153 ILE CA C 153 61.220 61.220 58.863 2.357 25855 1715 1 4 . 1 1 153 153 ILE CB C 153 40.494 40.494 39.182 1.312 25855 1716 1 4 . 1 1 153 153 ILE H H 153 8.972 8.972 8.190 0.782 25855 1717 1 4 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.947 -0.713 25855 1718 1 4 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.228 2.524 25855 1719 1 4 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.653 -1.068 25855 1720 1 4 . 1 1 154 154 VAL H H 154 8.557 8.557 8.327 0.230 25855 1721 1 4 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.649 -0.495 25855 1722 1 4 . 1 1 155 155 LYS CA C 155 54.843 54.843 53.307 1.536 25855 1723 1 4 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.462 -0.814 25855 1724 1 4 . 1 1 155 155 LYS H H 155 8.951 8.951 8.938 0.013 25855 1725 1 4 . 1 1 156 156 ILE HA H 156 5.035 5.035 4.875 0.160 25855 1726 1 4 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.175 -0.018 25855 1727 1 4 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.471 2.086 25855 1728 1 4 . 1 1 156 156 ILE H H 156 9.538 9.538 8.175 1.363 25855 1729 1 4 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.372 -0.271 25855 1730 1 4 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.368 2.321 25855 1731 1 4 . 1 1 157 157 ILE CB C 157 40.494 40.494 36.270 4.224 25855 1732 1 4 . 1 1 157 157 ILE H H 157 9.468 9.468 8.868 0.600 25855 1733 1 4 . 1 1 158 158 GLY CA C 158 45.809 45.809 44.587 1.222 25855 1734 1 4 . 1 1 158 158 GLY H H 158 8.236 8.236 7.755 0.481 25855 1735 1 4 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.202 1.343 25855 1736 1 4 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.391 1.984 25855 1737 1 4 . 1 1 159 159 HIS CB C 159 31.460 31.460 33.537 -2.077 25855 1738 1 4 . 1 1 159 159 HIS H H 159 7.986 7.986 7.738 0.248 25855 1739 1 4 . 1 1 160 160 PHE HA H 160 3.186 3.186 4.137 -0.951 25855 1740 1 4 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.810 0.473 25855 1741 1 4 . 1 1 160 160 PHE CB C 160 38.368 38.368 39.453 -1.085 25855 1742 1 4 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.185 -0.745 25855 1743 1 4 . 1 1 161 161 TYR CA C 161 62.283 62.283 60.573 1.710 25855 1744 1 4 . 1 1 161 161 TYR CB C 161 37.837 37.837 38.179 -0.342 25855 1745 1 4 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.851 0.201 25855 1746 1 4 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.774 0.069 25855 1747 1 4 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.921 0.784 25855 1748 1 4 . 1 1 162 162 ALA H H 162 7.458 7.458 8.625 -1.167 25855 1749 1 4 . 1 1 163 163 SER HA H 163 3.832 3.832 4.035 -0.203 25855 1750 1 4 . 1 1 163 163 SER CA C 163 60.050 60.050 61.959 -1.909 25855 1751 1 4 . 1 1 163 163 SER CB C 163 63.346 63.346 62.868 0.478 25855 1752 1 4 . 1 1 163 163 SER H H 163 8.403 8.403 7.935 0.468 25855 1753 1 4 . 1 1 164 164 GLN HA H 164 3.610 3.610 3.713 -0.103 25855 1754 1 4 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.770 -0.207 25855 1755 1 4 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.314 -21.720 25855 1756 1 4 . 1 1 165 165 MET HA H 165 4.048 4.048 3.974 0.074 25855 1757 1 4 . 1 1 165 165 MET CA C 165 58.563 58.563 56.596 1.967 25855 1758 1 4 . 1 1 165 165 MET CB C 165 31.991 31.991 31.819 0.172 25855 1759 1 4 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.752 0.166 25855 1760 1 4 . 1 1 166 166 ALA CB C 166 18.076 18.076 17.971 0.105 25855 1761 1 4 . 1 1 166 166 ALA H H 166 8.208 8.208 8.266 -0.058 25855 1762 1 4 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.899 -0.271 25855 1763 1 4 . 1 1 167 167 GLN CA C 167 60.157 60.157 58.956 1.201 25855 1764 1 4 . 1 1 167 167 GLN H H 167 8.393 8.393 8.165 0.228 25855 1765 1 4 . 1 1 168 168 ARG HA H 168 3.890 3.890 3.941 -0.051 25855 1766 1 4 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.600 -5.564 25855 1767 1 4 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.874 -0.009 25855 1768 1 4 . 1 1 168 168 ARG H H 168 8.220 8.220 7.409 0.811 25855 1769 1 4 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.011 0.122 25855 1770 1 4 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.332 -0.769 25855 1771 1 4 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.965 0.026 25855 1772 1 4 . 1 1 169 169 LYS H H 169 8.042 8.042 8.048 -0.006 25855 1773 1 4 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.836 -0.306 25855 1774 1 4 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.854 0.618 25855 1775 1 4 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.627 -0.853 25855 1776 1 4 . 1 1 170 170 ILE H H 170 8.190 8.190 8.225 -0.035 25855 1777 1 4 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.998 -0.131 25855 1778 1 4 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.516 0.535 25855 1779 1 4 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.581 -0.247 25855 1780 1 4 . 1 1 171 171 ARG H H 171 7.984 7.984 7.800 0.184 25855 1781 1 4 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.449 -0.020 25855 1782 1 4 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.970 -0.470 25855 1783 1 4 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.555 -0.061 25855 1784 1 4 . 1 1 172 172 ASP H H 172 7.993 7.993 8.101 -0.108 25855 1785 1 4 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.606 0.044 25855 1786 1 4 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.273 0.199 25855 1787 1 4 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.841 0.527 25855 1788 1 4 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.818 0.077 25855 1789 1 4 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.186 -0.686 25855 1790 1 4 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.808 -0.782 25855 1791 1 4 . 1 1 174 174 LEU H H 174 8.270 8.270 8.200 0.070 25855 1792 1 4 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.890 0.254 25855 1793 1 4 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.292 -1.236 25855 1794 1 4 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.083 0.622 25855 1795 1 4 . 1 1 175 175 ALA H H 175 7.960 7.960 8.299 -0.339 25855 1796 1 4 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.285 -0.192 25855 1797 1 4 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.986 -0.932 25855 1798 1 4 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.448 0.622 25855 1799 1 4 . 1 1 176 176 GLN H H 176 7.696 7.696 8.019 -0.323 25855 1800 1 4 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.564 0.261 25855 1801 1 4 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.598 -2.547 25855 1802 1 4 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.282 0.786 25855 1803 1 4 . 1 1 177 177 VAL H H 177 7.850 7.850 8.576 -0.726 25855 1804 1 4 . 1 1 179 179 GLN H H 179 7.862 7.862 8.180 -0.318 25855 1805 1 5 . 1 1 22 22 GLN H H 22 8.152 8.152 7.378 0.774 25855 1806 1 5 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.394 0.182 25855 1807 1 5 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.895 -1.790 25855 1808 1 5 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.762 1.669 25855 1809 1 5 . 1 1 23 23 GLU H H 23 7.926 7.926 8.553 -0.627 25855 1810 1 5 . 1 1 24 24 THR HA H 24 5.298 5.298 5.468 -0.170 25855 1811 1 5 . 1 1 24 24 THR CA C 24 62.286 62.286 59.556 2.730 25855 1812 1 5 . 1 1 24 24 THR CB C 24 70.759 70.759 71.062 -0.303 25855 1813 1 5 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.646 -0.211 25855 1814 1 5 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.889 0.731 25855 1815 1 5 . 1 1 25 25 VAL CB C 25 35.023 35.023 33.748 1.275 25855 1816 1 5 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.587 -0.048 25855 1817 1 5 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.929 -1.787 25855 1818 1 5 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.501 0.216 25855 1819 1 5 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.166 -0.531 25855 1820 1 5 . 1 1 27 27 VAL CB C 27 35.238 35.238 32.531 2.707 25855 1821 1 5 . 1 1 27 27 VAL H H 27 9.339 9.339 8.094 1.245 25855 1822 1 5 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.705 0.206 25855 1823 1 5 . 1 1 28 28 PHE CA C 28 57.725 57.725 58.072 -0.347 25855 1824 1 5 . 1 1 28 28 PHE CB C 28 38.909 38.909 38.074 0.835 25855 1825 1 5 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.834 0.052 25855 1826 1 5 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.245 -0.131 25855 1827 1 5 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.668 -0.753 25855 1828 1 5 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.303 0.205 25855 1829 1 5 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.703 -0.794 25855 1830 1 5 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.568 0.273 25855 1831 1 5 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.893 -0.300 25855 1832 1 5 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.917 0.579 25855 1833 1 5 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.800 -0.729 25855 1834 1 5 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.034 0.149 25855 1835 1 5 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.897 -0.556 25855 1836 1 5 . 1 1 32 32 GLN CB C 32 27.867 27.867 27.902 -0.035 25855 1837 1 5 . 1 1 33 33 ALA HA H 33 3.958 3.958 3.780 0.178 25855 1838 1 5 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.385 -2.969 25855 1839 1 5 . 1 1 33 33 ALA CB C 33 19.084 19.084 17.898 1.186 25855 1840 1 5 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.590 -0.704 25855 1841 1 5 . 1 1 34 34 VAL CA C 34 67.342 67.342 66.067 1.276 25855 1842 1 5 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.622 0.900 25855 1843 1 5 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.462 -0.564 25855 1844 1 5 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.360 -1.367 25855 1845 1 5 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.674 -1.436 25855 1846 1 5 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.810 -0.563 25855 1847 1 5 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.876 -0.425 25855 1848 1 5 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.542 -3.025 25855 1849 1 5 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.015 -1.705 25855 1850 1 5 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.122 -0.233 25855 1851 1 5 . 1 1 38 38 ILE CA C 38 64.581 64.581 60.291 4.290 25855 1852 1 5 . 1 1 38 38 ILE CB C 38 38.840 38.840 35.285 3.555 25855 1853 1 5 . 1 1 39 39 GLY CA C 39 47.152 47.152 45.775 1.377 25855 1854 1 5 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.063 0.517 25855 1855 1 5 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.041 0.329 25855 1856 1 5 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.461 0.339 25855 1857 1 5 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.297 0.045 25855 1858 1 5 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.329 -3.096 25855 1859 1 5 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.637 0.251 25855 1860 1 5 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.311 1.327 25855 1861 1 5 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.655 -0.405 25855 1862 1 5 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.050 0.086 25855 1863 1 5 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.133 0.470 25855 1864 1 5 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.957 0.513 25855 1865 1 5 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.153 -0.119 25855 1866 1 5 . 1 1 48 48 LEU HA H 48 4.042 4.042 3.983 0.059 25855 1867 1 5 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.018 0.067 25855 1868 1 5 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.648 0.723 25855 1869 1 5 . 1 1 49 49 SER HA H 49 4.183 4.183 4.148 0.035 25855 1870 1 5 . 1 1 49 49 SER CA C 49 61.932 61.932 62.094 -0.162 25855 1871 1 5 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.267 -0.108 25855 1872 1 5 . 1 1 50 50 ARG CA C 50 58.431 58.431 57.525 0.906 25855 1873 1 5 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.559 0.593 25855 1874 1 5 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.212 0.110 25855 1875 1 5 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.854 -1.035 25855 1876 1 5 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.243 0.282 25855 1877 1 5 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.380 -0.617 25855 1878 1 5 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.411 -0.033 25855 1879 1 5 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.970 -0.592 25855 1880 1 5 . 1 1 52 52 ALA H H 52 8.465 8.465 8.108 0.357 25855 1881 1 5 . 1 1 53 53 SER CB C 53 61.826 61.826 60.802 1.024 25855 1882 1 5 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.909 0.023 25855 1883 1 5 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.553 -1.420 25855 1884 1 5 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.544 0.854 25855 1885 1 5 . 1 1 55 55 SER HA H 55 4.766 4.766 4.687 0.079 25855 1886 1 5 . 1 1 55 55 SER CB C 55 63.541 63.541 63.813 -0.272 25855 1887 1 5 . 1 1 56 56 ILE HA H 56 4.992 4.992 5.501 -0.509 25855 1888 1 5 . 1 1 56 56 ILE CA C 56 60.191 60.191 58.516 1.675 25855 1889 1 5 . 1 1 56 56 ILE CB C 56 40.511 40.511 41.975 -1.464 25855 1890 1 5 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.717 0.037 25855 1891 1 5 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.566 0.089 25855 1892 1 5 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.096 0.230 25855 1893 1 5 . 1 1 57 57 LYS H H 57 8.732 8.732 8.166 0.566 25855 1894 1 5 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.812 -0.101 25855 1895 1 5 . 1 1 58 58 ILE CA C 58 60.597 60.597 58.924 1.673 25855 1896 1 5 . 1 1 58 58 ILE CB C 58 37.464 37.464 41.259 -3.795 25855 1897 1 5 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.709 -0.201 25855 1898 1 5 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.610 2.078 25855 1899 1 5 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.436 -0.077 25855 1900 1 5 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.172 -0.133 25855 1901 1 5 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.139 0.819 25855 1902 1 5 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.561 -0.131 25855 1903 1 5 . 1 1 63 63 THR HA H 63 4.786 4.786 4.349 0.437 25855 1904 1 5 . 1 1 63 63 THR CA C 63 58.498 58.498 63.511 -5.013 25855 1905 1 5 . 1 1 63 63 THR CB C 63 69.943 69.943 67.899 2.044 25855 1906 1 5 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.356 -0.067 25855 1907 1 5 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.719 1.014 25855 1908 1 5 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.279 0.394 25855 1909 1 5 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.487 0.153 25855 1910 1 5 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.999 -2.140 25855 1911 1 5 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.722 0.738 25855 1912 1 5 . 1 1 65 65 ASP H H 65 7.985 7.985 7.796 0.189 25855 1913 1 5 . 1 1 66 66 SER CB C 66 63.942 63.942 64.422 -0.480 25855 1914 1 5 . 1 1 66 66 SER H H 66 7.515 7.515 8.103 -0.588 25855 1915 1 5 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.335 0.008 25855 1916 1 5 . 1 1 67 67 LYS CA C 67 57.242 57.242 56.130 1.112 25855 1917 1 5 . 1 1 67 67 LYS CB C 67 32.803 32.803 30.614 2.189 25855 1918 1 5 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.599 0.594 25855 1919 1 5 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.729 -0.757 25855 1920 1 5 . 1 1 68 68 VAL CB C 68 36.216 36.216 33.189 3.027 25855 1921 1 5 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.424 0.268 25855 1922 1 5 . 1 1 69 69 ARG CA C 69 52.273 52.273 53.647 -1.373 25855 1923 1 5 . 1 1 69 69 ARG CB C 69 32.761 32.761 31.586 1.175 25855 1924 1 5 . 1 1 70 70 MET HA H 70 3.798 3.798 5.392 -1.594 25855 1925 1 5 . 1 1 70 70 MET CA C 70 55.444 55.444 53.809 1.635 25855 1926 1 5 . 1 1 70 70 MET CB C 70 36.034 36.034 35.062 0.972 25855 1927 1 5 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.851 -0.539 25855 1928 1 5 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.978 0.918 25855 1929 1 5 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.177 0.485 25855 1930 1 5 . 1 1 72 72 VAL CA C 72 61.766 61.766 60.992 0.774 25855 1931 1 5 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.986 -0.522 25855 1932 1 5 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.431 0.502 25855 1933 1 5 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.292 2.498 25855 1934 1 5 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.245 3.856 25855 1935 1 5 . 1 1 73 73 ILE H H 73 8.981 8.981 8.205 0.776 25855 1936 1 5 . 1 1 74 74 THR HA H 74 5.630 5.630 4.904 0.726 25855 1937 1 5 . 1 1 74 74 THR CA C 74 60.813 60.813 61.996 -1.183 25855 1938 1 5 . 1 1 74 74 THR CB C 74 70.966 70.966 69.673 1.293 25855 1939 1 5 . 1 1 74 74 THR H H 74 9.227 9.227 8.872 0.355 25855 1940 1 5 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.521 -0.489 25855 1941 1 5 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.932 0.237 25855 1942 1 5 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.284 1.164 25855 1943 1 5 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.675 -0.108 25855 1944 1 5 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.124 -0.164 25855 1945 1 5 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.057 1.029 25855 1946 1 5 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.064 0.071 25855 1947 1 5 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.816 0.083 25855 1948 1 5 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.676 0.354 25855 1949 1 5 . 1 1 78 78 GLU H H 78 9.555 9.555 9.003 0.552 25855 1950 1 5 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.278 0.091 25855 1951 1 5 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.896 -0.623 25855 1952 1 5 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.447 1.682 25855 1953 1 5 . 1 1 79 79 ALA H H 79 7.018 7.018 7.776 -0.758 25855 1954 1 5 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.090 -0.308 25855 1955 1 5 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.623 -0.482 25855 1956 1 5 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.448 -0.344 25855 1957 1 5 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.154 0.255 25855 1958 1 5 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.581 -0.051 25855 1959 1 5 . 1 1 81 81 PHE H H 81 8.005 8.005 8.648 -0.643 25855 1960 1 5 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.005 -0.008 25855 1961 1 5 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.813 0.198 25855 1962 1 5 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.048 -0.111 25855 1963 1 5 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.137 0.102 25855 1964 1 5 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.091 0.936 25855 1965 1 5 . 1 1 85 85 GLY CA C 85 47.426 47.426 45.851 1.575 25855 1966 1 5 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.041 0.114 25855 1967 1 5 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.227 -1.174 25855 1968 1 5 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.020 0.153 25855 1969 1 5 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.724 -0.240 25855 1970 1 5 . 1 1 87 87 ILE CA C 87 65.702 65.702 64.846 0.856 25855 1971 1 5 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.200 0.182 25855 1972 1 5 . 1 1 87 87 ILE H H 87 7.681 7.681 7.923 -0.242 25855 1973 1 5 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.021 -0.223 25855 1974 1 5 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.403 1.584 25855 1975 1 5 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.775 0.329 25855 1976 1 5 . 1 1 88 88 TYR H H 88 8.021 8.021 7.853 0.168 25855 1977 1 5 . 1 1 89 89 GLY H H 89 8.005 8.005 8.194 -0.189 25855 1978 1 5 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.306 -0.129 25855 1979 1 5 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.370 -0.952 25855 1980 1 5 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.172 -0.782 25855 1981 1 5 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.217 -0.079 25855 1982 1 5 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.431 -0.626 25855 1983 1 5 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.360 -0.627 25855 1984 1 5 . 1 1 91 91 LEU H H 91 7.545 7.545 7.860 -0.315 25855 1985 1 5 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.168 0.148 25855 1986 1 5 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.579 -0.814 25855 1987 1 5 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.259 -0.125 25855 1988 1 5 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.141 -0.056 25855 1989 1 5 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.214 0.724 25855 1990 1 5 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.233 0.026 25855 1991 1 5 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.070 0.324 25855 1992 1 5 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.668 -0.133 25855 1993 1 5 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.437 0.071 25855 1994 1 5 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.263 1.236 25855 1995 1 5 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.777 0.277 25855 1996 1 5 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.288 -0.131 25855 1997 1 5 . 1 1 96 96 PHE CA C 96 61.630 61.630 59.171 2.459 25855 1998 1 5 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.342 -0.869 25855 1999 1 5 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.778 -0.227 25855 2000 1 5 . 1 1 97 97 PHE CA C 97 57.092 57.092 57.237 -0.145 25855 2001 1 5 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.121 1.951 25855 2002 1 5 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.119 -1.373 25855 2003 1 5 . 1 1 98 98 GLY H H 98 8.539 8.539 8.571 -0.032 25855 2004 1 5 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.519 -0.141 25855 2005 1 5 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.086 0.854 25855 2006 1 5 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.069 -0.078 25855 2007 1 5 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.535 -0.176 25855 2008 1 5 . 1 1 100 100 LYS CA C 100 55.906 55.906 54.810 1.096 25855 2009 1 5 . 1 1 100 100 LYS CB C 100 31.991 31.991 31.962 0.029 25855 2010 1 5 . 1 1 100 100 LYS H H 100 8.622 8.622 8.195 0.427 25855 2011 1 5 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.354 0.034 25855 2012 1 5 . 1 1 101 101 GLU CA C 101 55.906 55.906 57.762 -1.856 25855 2013 1 5 . 1 1 101 101 GLU CB C 101 32.523 32.523 29.360 3.163 25855 2014 1 5 . 1 1 101 101 GLU H H 101 7.569 7.569 7.704 -0.135 25855 2015 1 5 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.571 -0.275 25855 2016 1 5 . 1 1 102 102 GLU CA C 102 55.375 55.375 54.611 0.764 25855 2017 1 5 . 1 1 102 102 GLU CB C 102 30.397 30.397 32.197 -1.800 25855 2018 1 5 . 1 1 102 102 GLU H H 102 8.440 8.440 8.819 -0.379 25855 2019 1 5 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.727 -0.959 25855 2020 1 5 . 1 1 103 103 VAL CA C 103 63.346 63.346 61.311 2.035 25855 2021 1 5 . 1 1 103 103 VAL CB C 103 31.991 31.991 31.657 0.334 25855 2022 1 5 . 1 1 103 103 VAL H H 103 8.552 8.552 8.230 0.322 25855 2023 1 5 . 1 1 104 104 LYS HA H 104 4.614 4.614 5.049 -0.435 25855 2024 1 5 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.426 0.949 25855 2025 1 5 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.291 2.889 25855 2026 1 5 . 1 1 104 104 LYS H H 104 6.924 6.924 8.399 -1.475 25855 2027 1 5 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.709 0.202 25855 2028 1 5 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.538 -0.821 25855 2029 1 5 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.784 0.493 25855 2030 1 5 . 1 1 106 106 GLU HA H 106 4.908 4.908 5.246 -0.338 25855 2031 1 5 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.425 2.630 25855 2032 1 5 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.671 1.399 25855 2033 1 5 . 1 1 106 106 GLU H H 106 8.982 8.982 8.550 0.432 25855 2034 1 5 . 1 1 107 107 THR HA H 107 5.524 5.524 4.603 0.921 25855 2035 1 5 . 1 1 107 107 THR CA C 107 61.220 61.220 62.956 -1.736 25855 2036 1 5 . 1 1 107 107 THR CB C 107 71.849 71.849 68.903 2.946 25855 2037 1 5 . 1 1 107 107 THR H H 107 9.357 9.357 8.870 0.487 25855 2038 1 5 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.141 0.920 25855 2039 1 5 . 1 1 108 108 HIS CA C 108 53.249 53.249 55.116 -1.867 25855 2040 1 5 . 1 1 108 108 HIS CB C 108 35.180 35.180 30.849 4.330 25855 2041 1 5 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.793 -0.153 25855 2042 1 5 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.115 -0.020 25855 2043 1 5 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.769 -0.743 25855 2044 1 5 . 1 1 109 109 ILE H H 109 8.818 8.818 8.680 0.138 25855 2045 1 5 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.984 0.250 25855 2046 1 5 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.054 -0.211 25855 2047 1 5 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.390 2.601 25855 2048 1 5 . 1 1 110 110 ARG H H 110 8.568 8.568 8.535 0.033 25855 2049 1 5 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.878 -0.004 25855 2050 1 5 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.879 -0.910 25855 2051 1 5 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.571 -0.986 25855 2052 1 5 . 1 1 111 111 VAL H H 111 8.935 8.935 8.549 0.386 25855 2053 1 5 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.810 -0.311 25855 2054 1 5 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.642 0.704 25855 2055 1 5 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.510 0.481 25855 2056 1 5 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.073 -0.163 25855 2057 1 5 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.780 1.126 25855 2058 1 5 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.695 -0.521 25855 2059 1 5 . 1 1 113 113 ALA H H 113 9.220 9.220 8.919 0.301 25855 2060 1 5 . 1 1 114 114 SER HA H 114 4.210 4.210 4.186 0.024 25855 2061 1 5 . 1 1 114 114 SER CA C 114 60.157 60.157 60.172 -0.015 25855 2062 1 5 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.663 -0.178 25855 2063 1 5 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.183 1.003 25855 2064 1 5 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.489 0.810 25855 2065 1 5 . 1 1 115 115 ALA H H 115 7.752 7.752 7.749 0.003 25855 2066 1 5 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.024 -0.437 25855 2067 1 5 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.662 -0.287 25855 2068 1 5 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.701 -0.527 25855 2069 1 5 . 1 1 116 116 ALA H H 116 7.429 7.429 7.574 -0.145 25855 2070 1 5 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.617 0.723 25855 2071 1 5 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.204 -0.027 25855 2072 1 5 . 1 1 118 118 ARG CB C 118 30.397 30.397 29.824 0.573 25855 2073 1 5 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.973 -0.321 25855 2074 1 5 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.049 -0.109 25855 2075 1 5 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.980 0.011 25855 2076 1 5 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.438 -0.611 25855 2077 1 5 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.390 1.041 25855 2078 1 5 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.432 -1.370 25855 2079 1 5 . 1 1 121 121 GLY H H 121 7.924 7.924 7.456 0.468 25855 2080 1 5 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.102 0.045 25855 2081 1 5 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.761 0.158 25855 2082 1 5 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.411 0.077 25855 2083 1 5 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.208 -0.833 25855 2084 1 5 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.460 -0.092 25855 2085 1 5 . 1 1 128 128 ASN H H 128 8.050 8.050 7.705 0.345 25855 2086 1 5 . 1 1 129 129 GLU H H 129 8.138 8.138 8.058 0.080 25855 2087 1 5 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.271 -0.211 25855 2088 1 5 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.981 0.107 25855 2089 1 5 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.234 0.060 25855 2090 1 5 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.767 0.327 25855 2091 1 5 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.551 0.730 25855 2092 1 5 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.547 -0.276 25855 2093 1 5 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.560 -0.409 25855 2094 1 5 . 1 1 134 134 THR HA H 134 4.324 4.324 4.385 -0.061 25855 2095 1 5 . 1 1 134 134 THR CA C 134 61.752 61.752 62.643 -0.891 25855 2096 1 5 . 1 1 134 134 THR CB C 134 70.047 70.047 70.431 -0.384 25855 2097 1 5 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.245 -0.138 25855 2098 1 5 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.613 1.167 25855 2099 1 5 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.924 1.250 25855 2100 1 5 . 1 1 135 135 ALA H H 135 8.013 8.013 7.659 0.354 25855 2101 1 5 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.709 -0.170 25855 2102 1 5 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.540 0.583 25855 2103 1 5 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.180 -1.412 25855 2104 1 5 . 1 1 136 136 ALA H H 136 8.011 8.011 7.841 0.170 25855 2105 1 5 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.485 -0.054 25855 2106 1 5 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.291 4.952 25855 2107 1 5 . 1 1 137 137 GLU H H 137 8.439 8.439 8.700 -0.261 25855 2108 1 5 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.653 0.229 25855 2109 1 5 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.069 0.152 25855 2110 1 5 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.887 0.698 25855 2111 1 5 . 1 1 138 138 VAL H H 138 8.280 8.280 8.529 -0.249 25855 2112 1 5 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.414 -0.193 25855 2113 1 5 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.622 0.067 25855 2114 1 5 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.746 2.497 25855 2115 1 5 . 1 1 139 139 VAL H H 139 9.055 9.055 8.970 0.085 25855 2116 1 5 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.443 0.179 25855 2117 1 5 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.644 -0.081 25855 2118 1 5 . 1 1 140 140 VAL CB C 140 31.991 31.991 33.077 -1.086 25855 2119 1 5 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.429 -0.200 25855 2120 1 5 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.859 0.487 25855 2121 1 5 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.241 -0.781 25855 2122 1 5 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.176 0.058 25855 2123 1 5 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.654 -0.216 25855 2124 1 5 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.102 0.826 25855 2125 1 5 . 1 1 142 142 ARG H H 142 8.499 8.499 8.422 0.077 25855 2126 1 5 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.351 0.059 25855 2127 1 5 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.330 -1.018 25855 2128 1 5 . 1 1 143 143 ASP CB C 143 39.431 39.431 39.995 -0.564 25855 2129 1 5 . 1 1 143 143 ASP H H 143 8.691 8.691 8.704 -0.013 25855 2130 1 5 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.157 0.208 25855 2131 1 5 . 1 1 144 144 GLN CA C 144 55.056 55.056 58.159 -3.103 25855 2132 1 5 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.557 1.512 25855 2133 1 5 . 1 1 144 144 GLN H H 144 7.898 7.898 7.855 0.043 25855 2134 1 5 . 1 1 145 145 THR HA H 145 4.619 4.619 4.580 0.039 25855 2135 1 5 . 1 1 145 145 THR CA C 145 59.626 59.626 59.677 -0.051 25855 2136 1 5 . 1 1 145 145 THR CB C 145 70.255 70.255 69.173 1.082 25855 2137 1 5 . 1 1 145 145 THR H H 145 8.695 8.695 8.203 0.492 25855 2138 1 5 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.533 -0.193 25855 2139 1 5 . 1 1 146 146 PRO CA C 146 62.815 62.815 63.190 -0.375 25855 2140 1 5 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.561 -0.012 25855 2141 1 5 . 1 1 147 147 ASP CA C 147 52.717 52.717 54.325 -1.609 25855 2142 1 5 . 1 1 147 147 ASP CB C 147 41.026 41.026 41.425 -0.399 25855 2143 1 5 . 1 1 147 147 ASP H H 147 8.506 8.506 8.405 0.101 25855 2144 1 5 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.062 0.108 25855 2145 1 5 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.127 -0.563 25855 2146 1 5 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.164 -0.893 25855 2147 1 5 . 1 1 148 148 GLU H H 148 9.159 9.159 8.681 0.478 25855 2148 1 5 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.805 0.131 25855 2149 1 5 . 1 1 149 149 ASN CA C 149 52.717 52.717 53.099 -0.382 25855 2150 1 5 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.036 0.395 25855 2151 1 5 . 1 1 149 149 ASN H H 149 8.364 8.364 8.256 0.108 25855 2152 1 5 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.940 -0.169 25855 2153 1 5 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.587 -0.087 25855 2154 1 5 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.415 0.436 25855 2155 1 5 . 1 1 150 150 GLU H H 150 8.542 8.542 7.756 0.786 25855 2156 1 5 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.339 -0.318 25855 2157 1 5 . 1 1 151 151 GLN CA C 151 54.843 54.843 53.487 1.356 25855 2158 1 5 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.283 -2.215 25855 2159 1 5 . 1 1 151 151 GLN H H 151 8.441 8.441 7.581 0.860 25855 2160 1 5 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.580 0.002 25855 2161 1 5 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.803 -1.240 25855 2162 1 5 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.166 -1.049 25855 2163 1 5 . 1 1 152 152 VAL H H 152 8.999 8.999 9.091 -0.092 25855 2164 1 5 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.812 -0.184 25855 2165 1 5 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.310 1.910 25855 2166 1 5 . 1 1 153 153 ILE CB C 153 40.494 40.494 37.742 2.752 25855 2167 1 5 . 1 1 153 153 ILE H H 153 8.972 8.972 8.216 0.756 25855 2168 1 5 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.971 -0.737 25855 2169 1 5 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.777 1.975 25855 2170 1 5 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.131 -0.546 25855 2171 1 5 . 1 1 154 154 VAL H H 154 8.557 8.557 8.365 0.192 25855 2172 1 5 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.629 -0.475 25855 2173 1 5 . 1 1 155 155 LYS CA C 155 54.843 54.843 53.603 1.240 25855 2174 1 5 . 1 1 155 155 LYS CB C 155 34.648 34.648 36.598 -1.950 25855 2175 1 5 . 1 1 155 155 LYS H H 155 8.951 8.951 8.342 0.609 25855 2176 1 5 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.438 -0.403 25855 2177 1 5 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.625 0.532 25855 2178 1 5 . 1 1 156 156 ILE CB C 156 41.557 41.557 40.707 0.850 25855 2179 1 5 . 1 1 156 156 ILE H H 156 9.538 9.538 8.462 1.076 25855 2180 1 5 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.771 -0.670 25855 2181 1 5 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.214 1.475 25855 2182 1 5 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.356 1.137 25855 2183 1 5 . 1 1 157 157 ILE H H 157 9.468 9.468 8.663 0.805 25855 2184 1 5 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.901 -0.092 25855 2185 1 5 . 1 1 158 158 GLY H H 158 8.236 8.236 8.009 0.227 25855 2186 1 5 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.645 0.900 25855 2187 1 5 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.340 2.035 25855 2188 1 5 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.962 -1.502 25855 2189 1 5 . 1 1 159 159 HIS H H 159 7.986 7.986 8.391 -0.405 25855 2190 1 5 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.857 -0.671 25855 2191 1 5 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.119 1.164 25855 2192 1 5 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.762 -0.394 25855 2193 1 5 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.770 -0.330 25855 2194 1 5 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.609 0.674 25855 2195 1 5 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.139 0.698 25855 2196 1 5 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.931 0.121 25855 2197 1 5 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.934 -0.091 25855 2198 1 5 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.018 0.687 25855 2199 1 5 . 1 1 162 162 ALA H H 162 7.458 7.458 8.310 -0.852 25855 2200 1 5 . 1 1 163 163 SER HA H 163 3.832 3.832 4.072 -0.240 25855 2201 1 5 . 1 1 163 163 SER CA C 163 60.050 60.050 62.322 -2.272 25855 2202 1 5 . 1 1 163 163 SER CB C 163 63.346 63.346 63.140 0.206 25855 2203 1 5 . 1 1 163 163 SER H H 163 8.403 8.403 8.433 -0.030 25855 2204 1 5 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.256 -0.646 25855 2205 1 5 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.435 0.128 25855 2206 1 5 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.024 -21.430 25855 2207 1 5 . 1 1 165 165 MET HA H 165 4.048 4.048 4.091 -0.043 25855 2208 1 5 . 1 1 165 165 MET CA C 165 58.563 58.563 58.743 -0.180 25855 2209 1 5 . 1 1 165 165 MET CB C 165 31.991 31.991 32.537 -0.546 25855 2210 1 5 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.920 -0.002 25855 2211 1 5 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.334 -0.258 25855 2212 1 5 . 1 1 166 166 ALA H H 166 8.208 8.208 7.885 0.323 25855 2213 1 5 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.931 -0.303 25855 2214 1 5 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.322 0.835 25855 2215 1 5 . 1 1 167 167 GLN H H 167 8.393 8.393 8.590 -0.197 25855 2216 1 5 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.032 -0.142 25855 2217 1 5 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.476 -6.440 25855 2218 1 5 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.073 -0.208 25855 2219 1 5 . 1 1 168 168 ARG H H 168 8.220 8.220 7.984 0.236 25855 2220 1 5 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.087 0.046 25855 2221 1 5 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.770 -0.207 25855 2222 1 5 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.883 0.108 25855 2223 1 5 . 1 1 169 169 LYS H H 169 8.042 8.042 7.664 0.378 25855 2224 1 5 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.693 -0.163 25855 2225 1 5 . 1 1 170 170 ILE CA C 170 65.472 65.472 65.736 -0.264 25855 2226 1 5 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.669 -0.895 25855 2227 1 5 . 1 1 170 170 ILE H H 170 8.190 8.190 8.270 -0.080 25855 2228 1 5 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.979 -0.112 25855 2229 1 5 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.509 0.542 25855 2230 1 5 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.457 -0.123 25855 2231 1 5 . 1 1 171 171 ARG H H 171 7.984 7.984 8.001 -0.017 25855 2232 1 5 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.413 0.016 25855 2233 1 5 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.550 -0.050 25855 2234 1 5 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.879 -0.385 25855 2235 1 5 . 1 1 172 172 ASP H H 172 7.993 7.993 8.154 -0.161 25855 2236 1 5 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.626 0.024 25855 2237 1 5 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.545 -0.073 25855 2238 1 5 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.964 0.404 25855 2239 1 5 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.800 0.095 25855 2240 1 5 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.166 -0.666 25855 2241 1 5 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.720 -0.694 25855 2242 1 5 . 1 1 174 174 LEU H H 174 8.270 8.270 8.357 -0.087 25855 2243 1 5 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.847 0.297 25855 2244 1 5 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.321 -1.264 25855 2245 1 5 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.133 0.572 25855 2246 1 5 . 1 1 175 175 ALA H H 175 7.960 7.960 8.465 -0.505 25855 2247 1 5 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.342 -0.249 25855 2248 1 5 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.534 -0.480 25855 2249 1 5 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.765 0.305 25855 2250 1 5 . 1 1 176 176 GLN H H 176 7.696 7.696 7.743 -0.047 25855 2251 1 5 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.905 -0.080 25855 2252 1 5 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.364 -2.313 25855 2253 1 5 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.136 0.933 25855 2254 1 5 . 1 1 177 177 VAL H H 177 7.850 7.850 8.409 -0.559 25855 2255 1 5 . 1 1 179 179 GLN H H 179 7.862 7.862 8.433 -0.571 25855 2256 1 6 . 1 1 22 22 GLN H H 22 8.152 8.152 7.577 0.575 25855 2257 1 6 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.207 0.369 25855 2258 1 6 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.939 -1.834 25855 2259 1 6 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.623 1.808 25855 2260 1 6 . 1 1 23 23 GLU H H 23 7.926 7.926 8.463 -0.537 25855 2261 1 6 . 1 1 24 24 THR HA H 24 5.298 5.298 4.805 0.493 25855 2262 1 6 . 1 1 24 24 THR CA C 24 62.286 62.286 61.691 0.596 25855 2263 1 6 . 1 1 24 24 THR CB C 24 70.759 70.759 69.763 0.996 25855 2264 1 6 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.884 -0.449 25855 2265 1 6 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.529 1.092 25855 2266 1 6 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.076 0.947 25855 2267 1 6 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.346 0.193 25855 2268 1 6 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.745 -2.603 25855 2269 1 6 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.727 -0.010 25855 2270 1 6 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.011 1.624 25855 2271 1 6 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.182 0.056 25855 2272 1 6 . 1 1 27 27 VAL H H 27 9.339 9.339 7.748 1.591 25855 2273 1 6 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.075 -0.164 25855 2274 1 6 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.730 0.995 25855 2275 1 6 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.883 -0.974 25855 2276 1 6 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.824 0.062 25855 2277 1 6 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.754 -0.640 25855 2278 1 6 . 1 1 29 29 ILE CB C 29 38.915 38.915 38.977 -0.062 25855 2279 1 6 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.444 0.064 25855 2280 1 6 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.828 0.081 25855 2281 1 6 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.947 -0.106 25855 2282 1 6 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.908 -0.315 25855 2283 1 6 . 1 1 31 31 ALA CA C 31 55.496 55.496 55.258 0.238 25855 2284 1 6 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.601 -0.530 25855 2285 1 6 . 1 1 32 32 GLN HA H 32 4.183 4.183 3.929 0.254 25855 2286 1 6 . 1 1 32 32 GLN CA C 32 57.341 57.341 58.055 -0.714 25855 2287 1 6 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.257 -0.390 25855 2288 1 6 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.056 -0.098 25855 2289 1 6 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.013 -2.597 25855 2290 1 6 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.022 0.062 25855 2291 1 6 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.524 -0.638 25855 2292 1 6 . 1 1 34 34 VAL CA C 34 67.342 67.342 66.796 0.547 25855 2293 1 6 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.226 0.296 25855 2294 1 6 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.252 -0.353 25855 2295 1 6 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.197 -1.204 25855 2296 1 6 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.465 -1.227 25855 2297 1 6 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.072 -0.825 25855 2298 1 6 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.905 -0.454 25855 2299 1 6 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.883 -3.366 25855 2300 1 6 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.254 -1.944 25855 2301 1 6 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.243 -0.354 25855 2302 1 6 . 1 1 38 38 ILE CA C 38 64.581 64.581 59.520 5.061 25855 2303 1 6 . 1 1 38 38 ILE CB C 38 38.840 38.840 35.207 3.633 25855 2304 1 6 . 1 1 39 39 GLY CA C 39 47.152 47.152 45.813 1.339 25855 2305 1 6 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.177 0.403 25855 2306 1 6 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.917 0.453 25855 2307 1 6 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.214 0.586 25855 2308 1 6 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.173 0.169 25855 2309 1 6 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.186 -2.953 25855 2310 1 6 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.599 0.289 25855 2311 1 6 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.526 1.112 25855 2312 1 6 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.725 -0.475 25855 2313 1 6 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.003 0.133 25855 2314 1 6 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.772 -0.169 25855 2315 1 6 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.922 0.549 25855 2316 1 6 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.116 -0.082 25855 2317 1 6 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.028 0.014 25855 2318 1 6 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.245 0.840 25855 2319 1 6 . 1 1 48 48 LEU CB C 48 42.371 42.371 40.940 1.431 25855 2320 1 6 . 1 1 49 49 SER HA H 49 4.183 4.183 4.261 -0.077 25855 2321 1 6 . 1 1 49 49 SER CA C 49 61.932 61.932 61.736 0.196 25855 2322 1 6 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.182 -0.023 25855 2323 1 6 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.054 0.377 25855 2324 1 6 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.358 0.794 25855 2325 1 6 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.227 0.095 25855 2326 1 6 . 1 1 51 51 PHE CA C 51 59.819 59.819 61.164 -1.345 25855 2327 1 6 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.316 0.209 25855 2328 1 6 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.404 -0.641 25855 2329 1 6 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.230 1.148 25855 2330 1 6 . 1 1 52 52 ALA CB C 52 19.378 19.378 20.141 -0.763 25855 2331 1 6 . 1 1 52 52 ALA H H 52 8.465 8.465 7.708 0.757 25855 2332 1 6 . 1 1 53 53 SER CB C 53 61.826 61.826 60.787 1.039 25855 2333 1 6 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.931 0.001 25855 2334 1 6 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.827 -1.694 25855 2335 1 6 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.614 0.784 25855 2336 1 6 . 1 1 55 55 SER HA H 55 4.766 4.766 4.647 0.119 25855 2337 1 6 . 1 1 55 55 SER CB C 55 63.541 63.541 64.063 -0.522 25855 2338 1 6 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.038 0.954 25855 2339 1 6 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.044 0.147 25855 2340 1 6 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.478 1.033 25855 2341 1 6 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.496 0.258 25855 2342 1 6 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.380 0.275 25855 2343 1 6 . 1 1 57 57 LYS CB C 57 36.326 36.326 33.281 3.045 25855 2344 1 6 . 1 1 57 57 LYS H H 57 8.732 8.732 8.358 0.374 25855 2345 1 6 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.425 0.286 25855 2346 1 6 . 1 1 58 58 ILE CA C 58 60.597 60.597 62.060 -1.463 25855 2347 1 6 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.397 -0.933 25855 2348 1 6 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.796 -0.288 25855 2349 1 6 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.714 1.974 25855 2350 1 6 . 1 1 59 59 ALA CB C 59 18.359 18.359 19.097 -0.738 25855 2351 1 6 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.274 -0.235 25855 2352 1 6 . 1 1 62 62 GLU CA C 62 58.958 58.958 56.390 2.568 25855 2353 1 6 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.750 0.680 25855 2354 1 6 . 1 1 63 63 THR HA H 63 4.786 4.786 4.566 0.220 25855 2355 1 6 . 1 1 63 63 THR CA C 63 58.498 58.498 59.910 -1.412 25855 2356 1 6 . 1 1 63 63 THR CB C 63 69.943 69.943 69.310 0.633 25855 2357 1 6 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.418 -0.129 25855 2358 1 6 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.697 1.036 25855 2359 1 6 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.688 -0.015 25855 2360 1 6 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.574 0.066 25855 2361 1 6 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.804 -1.945 25855 2362 1 6 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.070 1.390 25855 2363 1 6 . 1 1 65 65 ASP H H 65 7.985 7.985 7.980 0.005 25855 2364 1 6 . 1 1 66 66 SER CB C 66 63.942 63.942 62.442 1.500 25855 2365 1 6 . 1 1 66 66 SER H H 66 7.515 7.515 7.862 -0.347 25855 2366 1 6 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.254 0.089 25855 2367 1 6 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.621 -0.379 25855 2368 1 6 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.786 0.017 25855 2369 1 6 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.858 0.335 25855 2370 1 6 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.316 -0.344 25855 2371 1 6 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.169 1.047 25855 2372 1 6 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.867 -0.175 25855 2373 1 6 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.322 -2.049 25855 2374 1 6 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.917 -1.156 25855 2375 1 6 . 1 1 70 70 MET HA H 70 3.798 3.798 4.426 -0.628 25855 2376 1 6 . 1 1 70 70 MET CA C 70 55.444 55.444 55.487 -0.043 25855 2377 1 6 . 1 1 70 70 MET CB C 70 36.034 36.034 32.624 3.410 25855 2378 1 6 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.384 -0.072 25855 2379 1 6 . 1 1 71 71 VAL CA C 71 60.897 60.897 60.921 -0.024 25855 2380 1 6 . 1 1 72 72 VAL HA H 72 4.662 4.662 3.865 0.797 25855 2381 1 6 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.399 0.367 25855 2382 1 6 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.141 -0.677 25855 2383 1 6 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.523 0.410 25855 2384 1 6 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.959 1.831 25855 2385 1 6 . 1 1 73 73 ILE CB C 73 40.101 40.101 37.764 2.337 25855 2386 1 6 . 1 1 73 73 ILE H H 73 8.981 8.981 8.566 0.415 25855 2387 1 6 . 1 1 74 74 THR HA H 74 5.630 5.630 5.511 0.119 25855 2388 1 6 . 1 1 74 74 THR CA C 74 60.813 60.813 60.486 0.327 25855 2389 1 6 . 1 1 74 74 THR CB C 74 70.966 70.966 71.626 -0.660 25855 2390 1 6 . 1 1 74 74 THR H H 74 9.227 9.227 8.011 1.216 25855 2391 1 6 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.809 -0.777 25855 2392 1 6 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.984 0.185 25855 2393 1 6 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.339 1.109 25855 2394 1 6 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.749 -0.182 25855 2395 1 6 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.300 -0.340 25855 2396 1 6 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.221 1.865 25855 2397 1 6 . 1 1 78 78 GLU HA H 78 4.135 4.135 3.968 0.167 25855 2398 1 6 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.982 -0.083 25855 2399 1 6 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.424 0.606 25855 2400 1 6 . 1 1 78 78 GLU H H 78 9.555 9.555 8.526 1.029 25855 2401 1 6 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.329 0.040 25855 2402 1 6 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.712 -0.439 25855 2403 1 6 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.719 1.410 25855 2404 1 6 . 1 1 79 79 ALA H H 79 7.018 7.018 8.157 -1.139 25855 2405 1 6 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.076 -0.294 25855 2406 1 6 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.833 -0.692 25855 2407 1 6 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.240 -0.136 25855 2408 1 6 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.740 -0.331 25855 2409 1 6 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.309 0.221 25855 2410 1 6 . 1 1 81 81 PHE H H 81 8.005 8.005 8.194 -0.189 25855 2411 1 6 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.019 -0.022 25855 2412 1 6 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.431 0.581 25855 2413 1 6 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.158 -0.221 25855 2414 1 6 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.227 0.012 25855 2415 1 6 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.122 0.905 25855 2416 1 6 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.442 0.984 25855 2417 1 6 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.100 0.055 25855 2418 1 6 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.280 -1.227 25855 2419 1 6 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.971 0.202 25855 2420 1 6 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.631 -0.147 25855 2421 1 6 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.073 0.629 25855 2422 1 6 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.153 0.229 25855 2423 1 6 . 1 1 87 87 ILE H H 87 7.681 7.681 7.834 -0.153 25855 2424 1 6 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.317 -0.519 25855 2425 1 6 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.522 1.465 25855 2426 1 6 . 1 1 88 88 TYR CB C 88 38.104 38.104 38.026 0.078 25855 2427 1 6 . 1 1 88 88 TYR H H 88 8.021 8.021 7.602 0.419 25855 2428 1 6 . 1 1 89 89 GLY H H 89 8.005 8.005 8.281 -0.276 25855 2429 1 6 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.441 -0.264 25855 2430 1 6 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.257 -0.839 25855 2431 1 6 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.263 -0.873 25855 2432 1 6 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.901 -0.763 25855 2433 1 6 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.367 0.438 25855 2434 1 6 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.950 -0.217 25855 2435 1 6 . 1 1 91 91 LEU H H 91 7.545 7.545 8.187 -0.642 25855 2436 1 6 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.501 -0.185 25855 2437 1 6 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.704 0.061 25855 2438 1 6 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.397 -0.263 25855 2439 1 6 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.187 -0.102 25855 2440 1 6 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.215 0.723 25855 2441 1 6 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.150 0.109 25855 2442 1 6 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.217 0.178 25855 2443 1 6 . 1 1 94 94 GLU CB C 94 29.535 29.535 28.561 0.974 25855 2444 1 6 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.260 0.248 25855 2445 1 6 . 1 1 95 95 ASN CA C 95 55.499 55.499 55.205 0.294 25855 2446 1 6 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.528 0.526 25855 2447 1 6 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.202 -0.045 25855 2448 1 6 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.055 0.575 25855 2449 1 6 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.180 -0.707 25855 2450 1 6 . 1 1 97 97 PHE HA H 97 4.551 4.551 5.021 -0.470 25855 2451 1 6 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.323 0.769 25855 2452 1 6 . 1 1 97 97 PHE CB C 97 41.072 41.072 37.638 3.434 25855 2453 1 6 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.022 -1.276 25855 2454 1 6 . 1 1 98 98 GLY H H 98 8.539 8.539 8.328 0.211 25855 2455 1 6 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.460 -0.082 25855 2456 1 6 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.920 0.020 25855 2457 1 6 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.645 0.346 25855 2458 1 6 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.414 -0.055 25855 2459 1 6 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.154 -0.249 25855 2460 1 6 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.212 -1.221 25855 2461 1 6 . 1 1 100 100 LYS H H 100 8.622 8.622 8.528 0.094 25855 2462 1 6 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.534 -0.145 25855 2463 1 6 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.184 0.721 25855 2464 1 6 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.314 0.209 25855 2465 1 6 . 1 1 101 101 GLU H H 101 7.569 7.569 7.813 -0.244 25855 2466 1 6 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.201 0.095 25855 2467 1 6 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.838 -0.463 25855 2468 1 6 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.521 -0.124 25855 2469 1 6 . 1 1 102 102 GLU H H 102 8.440 8.440 8.531 -0.092 25855 2470 1 6 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.298 -0.530 25855 2471 1 6 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.185 1.161 25855 2472 1 6 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.478 -0.488 25855 2473 1 6 . 1 1 103 103 VAL H H 103 8.552 8.552 7.934 0.618 25855 2474 1 6 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.728 -0.114 25855 2475 1 6 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.380 0.995 25855 2476 1 6 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.931 2.249 25855 2477 1 6 . 1 1 104 104 LYS H H 104 6.924 6.924 7.479 -0.555 25855 2478 1 6 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.791 0.120 25855 2479 1 6 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.254 -0.537 25855 2480 1 6 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.705 -0.428 25855 2481 1 6 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.925 -0.017 25855 2482 1 6 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.909 2.146 25855 2483 1 6 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.261 0.809 25855 2484 1 6 . 1 1 106 106 GLU H H 106 8.982 8.982 8.518 0.464 25855 2485 1 6 . 1 1 107 107 THR HA H 107 5.524 5.524 4.579 0.945 25855 2486 1 6 . 1 1 107 107 THR CA C 107 61.220 61.220 62.844 -1.624 25855 2487 1 6 . 1 1 107 107 THR CB C 107 71.849 71.849 69.509 2.340 25855 2488 1 6 . 1 1 107 107 THR H H 107 9.357 9.357 8.967 0.390 25855 2489 1 6 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.405 0.656 25855 2490 1 6 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.580 -1.331 25855 2491 1 6 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.913 3.267 25855 2492 1 6 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.772 -0.132 25855 2493 1 6 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.258 -0.162 25855 2494 1 6 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.296 -0.270 25855 2495 1 6 . 1 1 109 109 ILE H H 109 8.818 8.818 8.168 0.650 25855 2496 1 6 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.104 0.130 25855 2497 1 6 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.923 -0.080 25855 2498 1 6 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.597 2.394 25855 2499 1 6 . 1 1 110 110 ARG H H 110 8.568 8.568 8.798 -0.230 25855 2500 1 6 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.879 -0.005 25855 2501 1 6 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.030 -1.061 25855 2502 1 6 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.526 -0.941 25855 2503 1 6 . 1 1 111 111 VAL H H 111 8.935 8.935 8.801 0.134 25855 2504 1 6 . 1 1 112 112 PRO HA H 112 4.499 4.499 5.066 -0.567 25855 2505 1 6 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.227 1.119 25855 2506 1 6 . 1 1 112 112 PRO CB C 112 31.991 31.991 32.179 -0.189 25855 2507 1 6 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.978 -0.068 25855 2508 1 6 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.232 0.674 25855 2509 1 6 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.306 -0.132 25855 2510 1 6 . 1 1 113 113 ALA H H 113 9.220 9.220 9.102 0.118 25855 2511 1 6 . 1 1 114 114 SER HA H 114 4.210 4.210 4.185 0.025 25855 2512 1 6 . 1 1 114 114 SER CA C 114 60.157 60.157 60.653 -0.496 25855 2513 1 6 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.355 0.130 25855 2514 1 6 . 1 1 115 115 ALA CA C 115 52.186 52.186 53.038 -0.852 25855 2515 1 6 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.119 1.180 25855 2516 1 6 . 1 1 115 115 ALA H H 115 7.752 7.752 7.720 0.032 25855 2517 1 6 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.061 -0.474 25855 2518 1 6 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.950 0.425 25855 2519 1 6 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.241 -0.067 25855 2520 1 6 . 1 1 116 116 ALA H H 116 7.429 7.429 7.716 -0.287 25855 2521 1 6 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.940 0.400 25855 2522 1 6 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.463 -0.286 25855 2523 1 6 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.922 -0.525 25855 2524 1 6 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.809 -0.157 25855 2525 1 6 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.347 -0.407 25855 2526 1 6 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.883 0.108 25855 2527 1 6 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.352 -0.525 25855 2528 1 6 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.619 1.812 25855 2529 1 6 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.041 -1.979 25855 2530 1 6 . 1 1 121 121 GLY H H 121 7.924 7.924 7.702 0.222 25855 2531 1 6 . 1 1 125 125 LYS HA H 125 4.147 4.147 3.971 0.176 25855 2532 1 6 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.700 0.219 25855 2533 1 6 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.392 0.096 25855 2534 1 6 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.949 -1.574 25855 2535 1 6 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.266 0.102 25855 2536 1 6 . 1 1 128 128 ASN H H 128 8.050 8.050 8.000 0.050 25855 2537 1 6 . 1 1 129 129 GLU H H 129 8.138 8.138 8.409 -0.271 25855 2538 1 6 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.190 -0.130 25855 2539 1 6 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.996 0.092 25855 2540 1 6 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.015 0.279 25855 2541 1 6 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.457 -0.362 25855 2542 1 6 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.735 0.546 25855 2543 1 6 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.543 -0.272 25855 2544 1 6 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.440 -0.289 25855 2545 1 6 . 1 1 134 134 THR HA H 134 4.324 4.324 4.339 -0.015 25855 2546 1 6 . 1 1 134 134 THR CA C 134 61.752 61.752 62.876 -1.124 25855 2547 1 6 . 1 1 134 134 THR CB C 134 70.047 70.047 69.995 0.052 25855 2548 1 6 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.088 0.019 25855 2549 1 6 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.583 1.197 25855 2550 1 6 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.129 1.045 25855 2551 1 6 . 1 1 135 135 ALA H H 135 8.013 8.013 7.591 0.422 25855 2552 1 6 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.660 -0.121 25855 2553 1 6 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.696 0.427 25855 2554 1 6 . 1 1 136 136 ALA CB C 136 19.768 19.768 20.266 -0.498 25855 2555 1 6 . 1 1 136 136 ALA H H 136 8.011 8.011 8.007 0.004 25855 2556 1 6 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.469 -0.038 25855 2557 1 6 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.012 5.231 25855 2558 1 6 . 1 1 137 137 GLU H H 137 8.439 8.439 8.752 -0.313 25855 2559 1 6 . 1 1 138 138 VAL HA H 138 4.882 4.882 5.049 -0.167 25855 2560 1 6 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.345 -0.125 25855 2561 1 6 . 1 1 138 138 VAL CB C 138 33.585 33.585 33.223 0.362 25855 2562 1 6 . 1 1 138 138 VAL H H 138 8.280 8.280 8.349 -0.069 25855 2563 1 6 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.424 -0.203 25855 2564 1 6 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.521 0.168 25855 2565 1 6 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.377 0.866 25855 2566 1 6 . 1 1 139 139 VAL H H 139 9.055 9.055 9.143 -0.088 25855 2567 1 6 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.596 0.026 25855 2568 1 6 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.764 -0.201 25855 2569 1 6 . 1 1 140 140 VAL CB C 140 31.991 31.991 31.809 0.182 25855 2570 1 6 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.328 -0.099 25855 2571 1 6 . 1 1 141 141 PRO CA C 141 63.346 63.346 64.545 -1.199 25855 2572 1 6 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.296 -0.836 25855 2573 1 6 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.444 -0.210 25855 2574 1 6 . 1 1 142 142 ARG CA C 142 56.437 56.437 54.558 1.879 25855 2575 1 6 . 1 1 142 142 ARG CB C 142 30.928 30.928 32.948 -2.020 25855 2576 1 6 . 1 1 142 142 ARG H H 142 8.499 8.499 7.894 0.605 25855 2577 1 6 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.339 0.071 25855 2578 1 6 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.060 -0.748 25855 2579 1 6 . 1 1 143 143 ASP CB C 143 39.431 39.431 39.795 -0.364 25855 2580 1 6 . 1 1 143 143 ASP H H 143 8.691 8.691 8.533 0.158 25855 2581 1 6 . 1 1 144 144 GLN HA H 144 4.365 4.365 3.890 0.475 25855 2582 1 6 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.749 -1.693 25855 2583 1 6 . 1 1 144 144 GLN CB C 144 31.069 31.069 27.739 3.330 25855 2584 1 6 . 1 1 144 144 GLN H H 144 7.898 7.898 8.336 -0.438 25855 2585 1 6 . 1 1 145 145 THR HA H 145 4.619 4.619 4.760 -0.141 25855 2586 1 6 . 1 1 145 145 THR CA C 145 59.626 59.626 59.184 0.442 25855 2587 1 6 . 1 1 145 145 THR CB C 145 70.255 70.255 70.404 -0.150 25855 2588 1 6 . 1 1 145 145 THR H H 145 8.695 8.695 7.962 0.733 25855 2589 1 6 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.640 -0.300 25855 2590 1 6 . 1 1 146 146 PRO CA C 146 62.815 62.815 61.807 1.008 25855 2591 1 6 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.693 -0.144 25855 2592 1 6 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.439 -0.722 25855 2593 1 6 . 1 1 147 147 ASP CB C 147 41.026 41.026 41.738 -0.712 25855 2594 1 6 . 1 1 147 147 ASP H H 147 8.506 8.506 8.488 0.018 25855 2595 1 6 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.040 0.130 25855 2596 1 6 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.140 -0.577 25855 2597 1 6 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.279 -1.008 25855 2598 1 6 . 1 1 148 148 GLU H H 148 9.159 9.159 8.837 0.322 25855 2599 1 6 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.843 0.093 25855 2600 1 6 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.906 -0.189 25855 2601 1 6 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.944 0.487 25855 2602 1 6 . 1 1 149 149 ASN H H 149 8.364 8.364 8.108 0.256 25855 2603 1 6 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.935 -0.164 25855 2604 1 6 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.602 -0.102 25855 2605 1 6 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.469 0.381 25855 2606 1 6 . 1 1 150 150 GLU H H 150 8.542 8.542 8.125 0.417 25855 2607 1 6 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.004 0.017 25855 2608 1 6 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.207 -0.364 25855 2609 1 6 . 1 1 151 151 GLN CB C 151 31.069 31.069 30.751 0.318 25855 2610 1 6 . 1 1 151 151 GLN H H 151 8.441 8.441 7.895 0.546 25855 2611 1 6 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.528 0.054 25855 2612 1 6 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.576 -1.013 25855 2613 1 6 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.480 -1.363 25855 2614 1 6 . 1 1 152 152 VAL H H 152 8.999 8.999 9.073 -0.074 25855 2615 1 6 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.953 -0.325 25855 2616 1 6 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.422 1.798 25855 2617 1 6 . 1 1 153 153 ILE CB C 153 40.494 40.494 38.735 1.759 25855 2618 1 6 . 1 1 153 153 ILE H H 153 8.972 8.972 8.415 0.557 25855 2619 1 6 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.899 -0.665 25855 2620 1 6 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.065 2.688 25855 2621 1 6 . 1 1 154 154 VAL CB C 154 33.585 33.585 33.284 0.301 25855 2622 1 6 . 1 1 154 154 VAL H H 154 8.557 8.557 8.442 0.115 25855 2623 1 6 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.662 -0.508 25855 2624 1 6 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.171 0.672 25855 2625 1 6 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.206 -0.558 25855 2626 1 6 . 1 1 155 155 LYS H H 155 8.951 8.951 8.917 0.034 25855 2627 1 6 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.165 -0.130 25855 2628 1 6 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.127 0.030 25855 2629 1 6 . 1 1 156 156 ILE CB C 156 41.557 41.557 40.677 0.880 25855 2630 1 6 . 1 1 156 156 ILE H H 156 9.538 9.538 8.697 0.841 25855 2631 1 6 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.688 -0.587 25855 2632 1 6 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.100 2.589 25855 2633 1 6 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.223 3.271 25855 2634 1 6 . 1 1 157 157 ILE H H 157 9.468 9.468 8.972 0.496 25855 2635 1 6 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.703 0.106 25855 2636 1 6 . 1 1 158 158 GLY H H 158 8.236 8.236 7.885 0.351 25855 2637 1 6 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.367 1.178 25855 2638 1 6 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.151 2.224 25855 2639 1 6 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.598 -1.138 25855 2640 1 6 . 1 1 159 159 HIS H H 159 7.986 7.986 8.227 -0.241 25855 2641 1 6 . 1 1 160 160 PHE HA H 160 3.186 3.186 4.138 -0.952 25855 2642 1 6 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.611 0.672 25855 2643 1 6 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.153 0.215 25855 2644 1 6 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.991 -0.551 25855 2645 1 6 . 1 1 161 161 TYR CA C 161 62.283 62.283 62.281 0.002 25855 2646 1 6 . 1 1 161 161 TYR CB C 161 37.837 37.837 38.021 -0.184 25855 2647 1 6 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.802 0.250 25855 2648 1 6 . 1 1 162 162 ALA CA C 162 54.843 54.843 55.172 -0.329 25855 2649 1 6 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.119 0.586 25855 2650 1 6 . 1 1 162 162 ALA H H 162 7.458 7.458 8.423 -0.965 25855 2651 1 6 . 1 1 163 163 SER HA H 163 3.832 3.832 4.050 -0.218 25855 2652 1 6 . 1 1 163 163 SER CA C 163 60.050 60.050 62.614 -2.564 25855 2653 1 6 . 1 1 163 163 SER CB C 163 63.346 63.346 62.832 0.514 25855 2654 1 6 . 1 1 163 163 SER H H 163 8.403 8.403 8.243 0.160 25855 2655 1 6 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.193 -0.583 25855 2656 1 6 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.541 0.021 25855 2657 1 6 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.468 -21.874 25855 2658 1 6 . 1 1 165 165 MET HA H 165 4.048 4.048 4.043 0.005 25855 2659 1 6 . 1 1 165 165 MET CA C 165 58.563 58.563 57.489 1.074 25855 2660 1 6 . 1 1 165 165 MET CB C 165 31.991 31.991 31.321 0.670 25855 2661 1 6 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.853 0.065 25855 2662 1 6 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.136 -0.060 25855 2663 1 6 . 1 1 166 166 ALA H H 166 8.208 8.208 8.536 -0.328 25855 2664 1 6 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.925 -0.297 25855 2665 1 6 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.492 0.665 25855 2666 1 6 . 1 1 167 167 GLN H H 167 8.393 8.393 8.467 -0.074 25855 2667 1 6 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.059 -0.169 25855 2668 1 6 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.592 -6.556 25855 2669 1 6 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.131 -0.266 25855 2670 1 6 . 1 1 168 168 ARG H H 168 8.220 8.220 8.537 -0.317 25855 2671 1 6 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.086 0.047 25855 2672 1 6 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.217 -0.654 25855 2673 1 6 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.906 0.085 25855 2674 1 6 . 1 1 169 169 LYS H H 169 8.042 8.042 8.148 -0.106 25855 2675 1 6 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.625 -0.095 25855 2676 1 6 . 1 1 170 170 ILE CA C 170 65.472 65.472 65.895 -0.423 25855 2677 1 6 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.844 -1.070 25855 2678 1 6 . 1 1 170 170 ILE H H 170 8.190 8.190 8.431 -0.241 25855 2679 1 6 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.950 -0.083 25855 2680 1 6 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.743 0.308 25855 2681 1 6 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.501 -0.167 25855 2682 1 6 . 1 1 171 171 ARG H H 171 7.984 7.984 8.520 -0.536 25855 2683 1 6 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.484 -0.055 25855 2684 1 6 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.423 0.077 25855 2685 1 6 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.494 0.000 25855 2686 1 6 . 1 1 172 172 ASP H H 172 7.993 7.993 7.665 0.328 25855 2687 1 6 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.609 0.041 25855 2688 1 6 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.518 -0.046 25855 2689 1 6 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.886 0.482 25855 2690 1 6 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.817 0.078 25855 2691 1 6 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.283 -0.783 25855 2692 1 6 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.859 -0.834 25855 2693 1 6 . 1 1 174 174 LEU H H 174 8.270 8.270 8.436 -0.166 25855 2694 1 6 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.862 0.282 25855 2695 1 6 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.211 -1.155 25855 2696 1 6 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.183 0.522 25855 2697 1 6 . 1 1 175 175 ALA H H 175 7.960 7.960 8.119 -0.159 25855 2698 1 6 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.000 0.093 25855 2699 1 6 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.814 -0.760 25855 2700 1 6 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.559 0.511 25855 2701 1 6 . 1 1 176 176 GLN H H 176 7.696 7.696 8.333 -0.637 25855 2702 1 6 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.655 0.170 25855 2703 1 6 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.466 -2.415 25855 2704 1 6 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.881 1.187 25855 2705 1 6 . 1 1 177 177 VAL H H 177 7.850 7.850 8.472 -0.622 25855 2706 1 6 . 1 1 179 179 GLN H H 179 7.862 7.862 8.427 -0.565 25855 2707 1 7 . 1 1 22 22 GLN H H 22 8.152 8.152 8.178 -0.026 25855 2708 1 7 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.460 0.116 25855 2709 1 7 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.148 -1.043 25855 2710 1 7 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.625 1.806 25855 2711 1 7 . 1 1 23 23 GLU H H 23 7.926 7.926 8.391 -0.465 25855 2712 1 7 . 1 1 24 24 THR HA H 24 5.298 5.298 5.499 -0.201 25855 2713 1 7 . 1 1 24 24 THR CA C 24 62.286 62.286 60.892 1.394 25855 2714 1 7 . 1 1 24 24 THR CB C 24 70.759 70.759 71.095 -0.336 25855 2715 1 7 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.680 -0.245 25855 2716 1 7 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.169 1.452 25855 2717 1 7 . 1 1 25 25 VAL CB C 25 35.023 35.023 33.974 1.048 25855 2718 1 7 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.744 -0.205 25855 2719 1 7 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.484 -1.342 25855 2720 1 7 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.978 -0.261 25855 2721 1 7 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.284 1.351 25855 2722 1 7 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.407 -0.170 25855 2723 1 7 . 1 1 27 27 VAL H H 27 9.339 9.339 7.839 1.500 25855 2724 1 7 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.224 -0.313 25855 2725 1 7 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.448 1.277 25855 2726 1 7 . 1 1 28 28 PHE CB C 28 38.909 38.909 40.002 -1.093 25855 2727 1 7 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.808 0.078 25855 2728 1 7 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.621 -0.507 25855 2729 1 7 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.002 -0.087 25855 2730 1 7 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.369 0.139 25855 2731 1 7 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.433 -0.524 25855 2732 1 7 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.521 0.320 25855 2733 1 7 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.942 -0.349 25855 2734 1 7 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.631 0.865 25855 2735 1 7 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.586 -0.515 25855 2736 1 7 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.189 -0.006 25855 2737 1 7 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.437 -0.096 25855 2738 1 7 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.606 -0.739 25855 2739 1 7 . 1 1 33 33 ALA HA H 33 3.958 3.958 3.689 0.269 25855 2740 1 7 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.309 -2.893 25855 2741 1 7 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.323 0.761 25855 2742 1 7 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.776 -0.890 25855 2743 1 7 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.318 2.024 25855 2744 1 7 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.513 1.009 25855 2745 1 7 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.365 -0.466 25855 2746 1 7 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.267 -1.274 25855 2747 1 7 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.642 -1.404 25855 2748 1 7 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.221 -0.974 25855 2749 1 7 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.710 -0.259 25855 2750 1 7 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.519 -3.002 25855 2751 1 7 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.625 -2.315 25855 2752 1 7 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.089 -0.200 25855 2753 1 7 . 1 1 38 38 ILE CA C 38 64.581 64.581 60.794 3.787 25855 2754 1 7 . 1 1 38 38 ILE CB C 38 38.840 38.840 37.596 1.244 25855 2755 1 7 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.484 0.668 25855 2756 1 7 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.167 0.413 25855 2757 1 7 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.471 -0.101 25855 2758 1 7 . 1 1 41 41 LYS CB C 41 32.800 32.800 31.373 1.427 25855 2759 1 7 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.244 0.098 25855 2760 1 7 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.147 -2.914 25855 2761 1 7 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.799 0.089 25855 2762 1 7 . 1 1 45 45 ILE CA C 45 64.638 64.638 62.690 1.948 25855 2763 1 7 . 1 1 45 45 ILE CB C 45 37.250 37.250 38.031 -0.781 25855 2764 1 7 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.034 0.102 25855 2765 1 7 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.966 0.637 25855 2766 1 7 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.850 0.620 25855 2767 1 7 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.102 -0.068 25855 2768 1 7 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.094 -0.052 25855 2769 1 7 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.996 0.089 25855 2770 1 7 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.209 1.162 25855 2771 1 7 . 1 1 49 49 SER HA H 49 4.183 4.183 4.159 0.024 25855 2772 1 7 . 1 1 49 49 SER CA C 49 61.932 61.932 61.685 0.247 25855 2773 1 7 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.237 -0.078 25855 2774 1 7 . 1 1 50 50 ARG CA C 50 58.431 58.431 57.608 0.823 25855 2775 1 7 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.338 0.814 25855 2776 1 7 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.281 0.041 25855 2777 1 7 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.231 -0.412 25855 2778 1 7 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.282 0.243 25855 2779 1 7 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.169 -0.406 25855 2780 1 7 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.882 0.496 25855 2781 1 7 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.826 -0.448 25855 2782 1 7 . 1 1 52 52 ALA H H 52 8.465 8.465 7.908 0.557 25855 2783 1 7 . 1 1 53 53 SER CB C 53 61.826 61.826 61.194 0.632 25855 2784 1 7 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.916 0.016 25855 2785 1 7 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.766 -1.633 25855 2786 1 7 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.325 1.073 25855 2787 1 7 . 1 1 55 55 SER HA H 55 4.766 4.766 4.916 -0.150 25855 2788 1 7 . 1 1 55 55 SER CB C 55 63.541 63.541 64.090 -0.549 25855 2789 1 7 . 1 1 56 56 ILE HA H 56 4.992 4.992 5.075 -0.083 25855 2790 1 7 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.521 0.670 25855 2791 1 7 . 1 1 56 56 ILE CB C 56 40.511 40.511 41.161 -0.650 25855 2792 1 7 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.735 0.019 25855 2793 1 7 . 1 1 57 57 LYS CA C 57 54.655 54.655 53.859 0.796 25855 2794 1 7 . 1 1 57 57 LYS CB C 57 36.326 36.326 35.249 1.077 25855 2795 1 7 . 1 1 57 57 LYS H H 57 8.732 8.732 7.981 0.751 25855 2796 1 7 . 1 1 58 58 ILE HA H 58 4.711 4.711 5.166 -0.455 25855 2797 1 7 . 1 1 58 58 ILE CA C 58 60.597 60.597 58.276 2.321 25855 2798 1 7 . 1 1 58 58 ILE CB C 58 37.464 37.464 41.826 -4.362 25855 2799 1 7 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.900 -0.392 25855 2800 1 7 . 1 1 59 59 ALA CA C 59 51.688 51.688 48.835 2.853 25855 2801 1 7 . 1 1 59 59 ALA CB C 59 18.359 18.359 19.146 -0.787 25855 2802 1 7 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.111 -0.072 25855 2803 1 7 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.260 0.698 25855 2804 1 7 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.820 0.610 25855 2805 1 7 . 1 1 63 63 THR HA H 63 4.786 4.786 4.686 0.100 25855 2806 1 7 . 1 1 63 63 THR CA C 63 58.498 58.498 59.108 -0.610 25855 2807 1 7 . 1 1 63 63 THR CB C 63 69.943 69.943 69.375 0.568 25855 2808 1 7 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.425 -0.136 25855 2809 1 7 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.044 0.689 25855 2810 1 7 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.872 -0.199 25855 2811 1 7 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.821 -0.181 25855 2812 1 7 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.447 -1.588 25855 2813 1 7 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.127 0.333 25855 2814 1 7 . 1 1 65 65 ASP H H 65 7.985 7.985 8.560 -0.575 25855 2815 1 7 . 1 1 66 66 SER CB C 66 63.942 63.942 62.785 1.157 25855 2816 1 7 . 1 1 66 66 SER H H 66 7.515 7.515 8.021 -0.506 25855 2817 1 7 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.257 0.086 25855 2818 1 7 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.398 -0.156 25855 2819 1 7 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.932 -0.129 25855 2820 1 7 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.580 0.613 25855 2821 1 7 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.412 -0.440 25855 2822 1 7 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.389 0.827 25855 2823 1 7 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.974 -0.282 25855 2824 1 7 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.082 -1.809 25855 2825 1 7 . 1 1 69 69 ARG CB C 69 32.761 32.761 32.700 0.061 25855 2826 1 7 . 1 1 70 70 MET HA H 70 3.798 3.798 3.973 -0.175 25855 2827 1 7 . 1 1 70 70 MET CA C 70 55.444 55.444 54.912 0.532 25855 2828 1 7 . 1 1 70 70 MET CB C 70 36.034 36.034 32.336 3.698 25855 2829 1 7 . 1 1 71 71 VAL HA H 71 4.312 4.312 5.060 -0.748 25855 2830 1 7 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.276 1.621 25855 2831 1 7 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.762 -0.100 25855 2832 1 7 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.406 0.360 25855 2833 1 7 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.833 -0.369 25855 2834 1 7 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.730 0.203 25855 2835 1 7 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.663 2.127 25855 2836 1 7 . 1 1 73 73 ILE CB C 73 40.101 40.101 37.026 3.075 25855 2837 1 7 . 1 1 73 73 ILE H H 73 8.981 8.981 8.652 0.329 25855 2838 1 7 . 1 1 74 74 THR HA H 74 5.630 5.630 5.171 0.459 25855 2839 1 7 . 1 1 74 74 THR CA C 74 60.813 60.813 61.567 -0.754 25855 2840 1 7 . 1 1 74 74 THR CB C 74 70.966 70.966 69.338 1.628 25855 2841 1 7 . 1 1 74 74 THR H H 74 9.227 9.227 8.493 0.734 25855 2842 1 7 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.976 0.056 25855 2843 1 7 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.893 0.276 25855 2844 1 7 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.298 1.150 25855 2845 1 7 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.886 -0.319 25855 2846 1 7 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.096 -0.136 25855 2847 1 7 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.184 0.902 25855 2848 1 7 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.074 0.061 25855 2849 1 7 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.897 0.002 25855 2850 1 7 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.853 0.177 25855 2851 1 7 . 1 1 78 78 GLU H H 78 9.555 9.555 8.950 0.605 25855 2852 1 7 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.512 -0.143 25855 2853 1 7 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.756 -0.483 25855 2854 1 7 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.650 1.479 25855 2855 1 7 . 1 1 79 79 ALA H H 79 7.018 7.018 7.911 -0.893 25855 2856 1 7 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.064 -0.282 25855 2857 1 7 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.509 -0.368 25855 2858 1 7 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.261 -0.157 25855 2859 1 7 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.198 0.211 25855 2860 1 7 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.267 0.263 25855 2861 1 7 . 1 1 81 81 PHE H H 81 8.005 8.005 8.903 -0.898 25855 2862 1 7 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.823 0.174 25855 2863 1 7 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.916 0.095 25855 2864 1 7 . 1 1 83 83 ALA HA H 83 3.937 3.937 3.993 -0.056 25855 2865 1 7 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.512 -0.273 25855 2866 1 7 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.157 0.870 25855 2867 1 7 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.389 1.037 25855 2868 1 7 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.055 0.100 25855 2869 1 7 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.166 -1.113 25855 2870 1 7 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.956 0.217 25855 2871 1 7 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.560 -0.076 25855 2872 1 7 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.589 0.113 25855 2873 1 7 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.526 -0.144 25855 2874 1 7 . 1 1 87 87 ILE H H 87 7.681 7.681 8.253 -0.572 25855 2875 1 7 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.185 -0.387 25855 2876 1 7 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.526 1.461 25855 2877 1 7 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.721 0.383 25855 2878 1 7 . 1 1 88 88 TYR H H 88 8.021 8.021 7.646 0.375 25855 2879 1 7 . 1 1 89 89 GLY H H 89 8.005 8.005 8.277 -0.272 25855 2880 1 7 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.193 -0.016 25855 2881 1 7 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.401 -0.983 25855 2882 1 7 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.404 -0.014 25855 2883 1 7 . 1 1 91 91 LEU HA H 91 4.138 4.138 3.839 0.299 25855 2884 1 7 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.859 -0.054 25855 2885 1 7 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.102 -0.369 25855 2886 1 7 . 1 1 91 91 LEU H H 91 7.545 7.545 7.766 -0.221 25855 2887 1 7 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.078 0.238 25855 2888 1 7 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.574 0.191 25855 2889 1 7 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.388 -0.254 25855 2890 1 7 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.173 -0.088 25855 2891 1 7 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.479 0.459 25855 2892 1 7 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.070 0.189 25855 2893 1 7 . 1 1 94 94 GLU CA C 94 55.394 55.394 56.231 -0.837 25855 2894 1 7 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.139 0.396 25855 2895 1 7 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.355 0.153 25855 2896 1 7 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.964 1.536 25855 2897 1 7 . 1 1 95 95 ASN CB C 95 37.054 37.054 37.208 -0.154 25855 2898 1 7 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.229 -0.072 25855 2899 1 7 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.205 0.425 25855 2900 1 7 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.333 -0.860 25855 2901 1 7 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.928 -0.377 25855 2902 1 7 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.055 1.037 25855 2903 1 7 . 1 1 97 97 PHE CB C 97 41.072 41.072 38.375 2.697 25855 2904 1 7 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.541 -0.795 25855 2905 1 7 . 1 1 98 98 GLY H H 98 8.539 8.539 8.749 -0.210 25855 2906 1 7 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.378 0.000 25855 2907 1 7 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.525 0.415 25855 2908 1 7 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.834 0.157 25855 2909 1 7 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.260 0.099 25855 2910 1 7 . 1 1 100 100 LYS CA C 100 55.906 55.906 57.965 -2.059 25855 2911 1 7 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.806 -0.815 25855 2912 1 7 . 1 1 100 100 LYS H H 100 8.622 8.622 8.525 0.097 25855 2913 1 7 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.473 -0.085 25855 2914 1 7 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.481 0.425 25855 2915 1 7 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.003 0.520 25855 2916 1 7 . 1 1 101 101 GLU H H 101 7.569 7.569 7.920 -0.351 25855 2917 1 7 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.474 -0.178 25855 2918 1 7 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.051 -0.676 25855 2919 1 7 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.469 -0.072 25855 2920 1 7 . 1 1 102 102 GLU H H 102 8.440 8.440 8.480 -0.040 25855 2921 1 7 . 1 1 103 103 VAL HA H 103 2.768 2.768 4.550 -1.782 25855 2922 1 7 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.955 0.391 25855 2923 1 7 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.519 -0.528 25855 2924 1 7 . 1 1 103 103 VAL H H 103 8.552 8.552 8.669 -0.117 25855 2925 1 7 . 1 1 104 104 LYS HA H 104 4.614 4.614 5.029 -0.415 25855 2926 1 7 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.437 0.938 25855 2927 1 7 . 1 1 104 104 LYS CB C 104 35.180 35.180 33.677 1.503 25855 2928 1 7 . 1 1 104 104 LYS H H 104 6.924 6.924 8.275 -1.351 25855 2929 1 7 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.935 -0.024 25855 2930 1 7 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.307 -0.590 25855 2931 1 7 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.831 0.446 25855 2932 1 7 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.838 0.070 25855 2933 1 7 . 1 1 106 106 GLU CA C 106 57.055 57.055 55.497 1.558 25855 2934 1 7 . 1 1 106 106 GLU CB C 106 32.070 32.070 29.461 2.609 25855 2935 1 7 . 1 1 106 106 GLU H H 106 8.982 8.982 8.808 0.174 25855 2936 1 7 . 1 1 107 107 THR HA H 107 5.524 5.524 4.606 0.918 25855 2937 1 7 . 1 1 107 107 THR CA C 107 61.220 61.220 62.817 -1.597 25855 2938 1 7 . 1 1 107 107 THR CB C 107 71.849 71.849 69.476 2.373 25855 2939 1 7 . 1 1 107 107 THR H H 107 9.357 9.357 9.084 0.273 25855 2940 1 7 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.422 0.639 25855 2941 1 7 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.947 -1.698 25855 2942 1 7 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.206 3.974 25855 2943 1 7 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.648 -0.008 25855 2944 1 7 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.754 0.341 25855 2945 1 7 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.269 -0.242 25855 2946 1 7 . 1 1 109 109 ILE H H 109 8.818 8.818 8.816 0.002 25855 2947 1 7 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.907 0.327 25855 2948 1 7 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.232 -0.389 25855 2949 1 7 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.782 2.209 25855 2950 1 7 . 1 1 110 110 ARG H H 110 8.568 8.568 8.572 -0.004 25855 2951 1 7 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.707 0.167 25855 2952 1 7 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.925 -0.956 25855 2953 1 7 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.573 -0.988 25855 2954 1 7 . 1 1 111 111 VAL H H 111 8.935 8.935 8.517 0.418 25855 2955 1 7 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.901 -0.402 25855 2956 1 7 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.044 1.302 25855 2957 1 7 . 1 1 112 112 PRO CB C 112 31.991 31.991 32.313 -0.322 25855 2958 1 7 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.979 -0.069 25855 2959 1 7 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.421 0.485 25855 2960 1 7 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.472 -0.298 25855 2961 1 7 . 1 1 113 113 ALA H H 113 9.220 9.220 9.035 0.185 25855 2962 1 7 . 1 1 114 114 SER HA H 114 4.210 4.210 4.176 0.034 25855 2963 1 7 . 1 1 114 114 SER CA C 114 60.157 60.157 60.265 -0.108 25855 2964 1 7 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.185 0.300 25855 2965 1 7 . 1 1 115 115 ALA CA C 115 52.186 52.186 53.737 -1.551 25855 2966 1 7 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.594 1.705 25855 2967 1 7 . 1 1 115 115 ALA H H 115 7.752 7.752 7.369 0.383 25855 2968 1 7 . 1 1 116 116 ALA HA H 116 3.587 3.587 3.938 -0.351 25855 2969 1 7 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.451 -0.076 25855 2970 1 7 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.099 0.075 25855 2971 1 7 . 1 1 116 116 ALA H H 116 7.429 7.429 7.979 -0.550 25855 2972 1 7 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.377 -0.037 25855 2973 1 7 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.175 0.002 25855 2974 1 7 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.502 -0.105 25855 2975 1 7 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.723 -0.071 25855 2976 1 7 . 1 1 119 119 VAL CA C 119 64.940 64.940 66.902 -1.962 25855 2977 1 7 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.870 0.121 25855 2978 1 7 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.955 -0.128 25855 2979 1 7 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.772 0.659 25855 2980 1 7 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.399 -1.337 25855 2981 1 7 . 1 1 121 121 GLY H H 121 7.924 7.924 7.270 0.654 25855 2982 1 7 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.232 -0.085 25855 2983 1 7 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.535 0.384 25855 2984 1 7 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.596 -0.108 25855 2985 1 7 . 1 1 128 128 ASN CA C 128 55.375 55.375 55.877 -0.502 25855 2986 1 7 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.152 0.216 25855 2987 1 7 . 1 1 128 128 ASN H H 128 8.050 8.050 7.641 0.409 25855 2988 1 7 . 1 1 129 129 GLU H H 129 8.138 8.138 8.103 0.035 25855 2989 1 7 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.122 -0.062 25855 2990 1 7 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.610 0.478 25855 2991 1 7 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.060 0.234 25855 2992 1 7 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.440 -0.345 25855 2993 1 7 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.898 0.383 25855 2994 1 7 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.494 -0.223 25855 2995 1 7 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.471 0.680 25855 2996 1 7 . 1 1 134 134 THR HA H 134 4.324 4.324 4.411 -0.087 25855 2997 1 7 . 1 1 134 134 THR CA C 134 61.752 61.752 62.889 -1.137 25855 2998 1 7 . 1 1 134 134 THR CB C 134 70.047 70.047 70.286 -0.239 25855 2999 1 7 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.137 -0.030 25855 3000 1 7 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.662 1.118 25855 3001 1 7 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.195 0.979 25855 3002 1 7 . 1 1 135 135 ALA H H 135 8.013 8.013 7.554 0.459 25855 3003 1 7 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.474 0.065 25855 3004 1 7 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.728 0.395 25855 3005 1 7 . 1 1 136 136 ALA CB C 136 19.768 19.768 20.565 -0.797 25855 3006 1 7 . 1 1 136 136 ALA H H 136 8.011 8.011 7.916 0.095 25855 3007 1 7 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.435 -0.004 25855 3008 1 7 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.682 5.561 25855 3009 1 7 . 1 1 137 137 GLU H H 137 8.439 8.439 8.741 -0.302 25855 3010 1 7 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.607 0.275 25855 3011 1 7 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.479 -0.259 25855 3012 1 7 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.534 1.051 25855 3013 1 7 . 1 1 138 138 VAL H H 138 8.280 8.280 8.345 -0.065 25855 3014 1 7 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.348 -0.127 25855 3015 1 7 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.630 0.059 25855 3016 1 7 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.172 2.071 25855 3017 1 7 . 1 1 139 139 VAL H H 139 9.055 9.055 9.124 -0.069 25855 3018 1 7 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.485 0.137 25855 3019 1 7 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.752 -0.189 25855 3020 1 7 . 1 1 140 140 VAL CB C 140 31.991 31.991 33.352 -1.361 25855 3021 1 7 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.316 -0.087 25855 3022 1 7 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.954 0.392 25855 3023 1 7 . 1 1 141 141 PRO CB C 141 31.460 31.460 31.737 -0.277 25855 3024 1 7 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.204 0.030 25855 3025 1 7 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.612 -0.175 25855 3026 1 7 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.505 0.423 25855 3027 1 7 . 1 1 142 142 ARG H H 142 8.499 8.499 8.353 0.146 25855 3028 1 7 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.432 -0.022 25855 3029 1 7 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.935 -0.623 25855 3030 1 7 . 1 1 143 143 ASP CB C 143 39.431 39.431 41.247 -1.816 25855 3031 1 7 . 1 1 143 143 ASP H H 143 8.691 8.691 8.446 0.245 25855 3032 1 7 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.549 -0.184 25855 3033 1 7 . 1 1 144 144 GLN CA C 144 55.056 55.056 55.130 -0.074 25855 3034 1 7 . 1 1 144 144 GLN CB C 144 31.069 31.069 30.883 0.186 25855 3035 1 7 . 1 1 144 144 GLN H H 144 7.898 7.898 8.416 -0.518 25855 3036 1 7 . 1 1 145 145 THR HA H 145 4.619 4.619 4.816 -0.197 25855 3037 1 7 . 1 1 145 145 THR CA C 145 59.626 59.626 58.307 1.319 25855 3038 1 7 . 1 1 145 145 THR CB C 145 70.255 70.255 69.290 0.965 25855 3039 1 7 . 1 1 145 145 THR H H 145 8.695 8.695 8.418 0.277 25855 3040 1 7 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.791 -0.451 25855 3041 1 7 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.111 0.704 25855 3042 1 7 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.481 0.068 25855 3043 1 7 . 1 1 147 147 ASP CA C 147 52.717 52.717 54.289 -1.572 25855 3044 1 7 . 1 1 147 147 ASP CB C 147 41.026 41.026 42.822 -1.796 25855 3045 1 7 . 1 1 147 147 ASP H H 147 8.506 8.506 8.579 -0.073 25855 3046 1 7 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.049 0.121 25855 3047 1 7 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.777 -0.214 25855 3048 1 7 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.529 -1.258 25855 3049 1 7 . 1 1 148 148 GLU H H 148 9.159 9.159 8.647 0.512 25855 3050 1 7 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.783 0.153 25855 3051 1 7 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.973 -0.256 25855 3052 1 7 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.704 0.727 25855 3053 1 7 . 1 1 149 149 ASN H H 149 8.364 8.364 8.508 -0.144 25855 3054 1 7 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.941 -0.170 25855 3055 1 7 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.516 -0.016 25855 3056 1 7 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.530 0.320 25855 3057 1 7 . 1 1 150 150 GLU H H 150 8.542 8.542 8.107 0.435 25855 3058 1 7 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.174 -0.153 25855 3059 1 7 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.542 0.301 25855 3060 1 7 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.350 -1.281 25855 3061 1 7 . 1 1 151 151 GLN H H 151 8.441 8.441 7.912 0.529 25855 3062 1 7 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.534 0.048 25855 3063 1 7 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.704 -1.141 25855 3064 1 7 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.121 -1.004 25855 3065 1 7 . 1 1 152 152 VAL H H 152 8.999 8.999 9.131 -0.132 25855 3066 1 7 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.062 -0.434 25855 3067 1 7 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.472 1.748 25855 3068 1 7 . 1 1 153 153 ILE CB C 153 40.494 40.494 38.730 1.764 25855 3069 1 7 . 1 1 153 153 ILE H H 153 8.972 8.972 8.367 0.606 25855 3070 1 7 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.681 -0.447 25855 3071 1 7 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.299 2.453 25855 3072 1 7 . 1 1 154 154 VAL CB C 154 33.585 33.585 33.910 -0.325 25855 3073 1 7 . 1 1 154 154 VAL H H 154 8.557 8.557 8.358 0.199 25855 3074 1 7 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.547 -0.393 25855 3075 1 7 . 1 1 155 155 LYS CA C 155 54.843 54.843 53.788 1.055 25855 3076 1 7 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.596 -0.948 25855 3077 1 7 . 1 1 155 155 LYS H H 155 8.951 8.951 8.468 0.483 25855 3078 1 7 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.558 -0.523 25855 3079 1 7 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.301 0.856 25855 3080 1 7 . 1 1 156 156 ILE CB C 156 41.557 41.557 41.167 0.390 25855 3081 1 7 . 1 1 156 156 ILE H H 156 9.538 9.538 8.971 0.567 25855 3082 1 7 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.207 -0.106 25855 3083 1 7 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.379 2.310 25855 3084 1 7 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.441 3.053 25855 3085 1 7 . 1 1 157 157 ILE H H 157 9.468 9.468 8.753 0.715 25855 3086 1 7 . 1 1 158 158 GLY CA C 158 45.809 45.809 46.045 -0.236 25855 3087 1 7 . 1 1 158 158 GLY H H 158 8.236 8.236 8.090 0.146 25855 3088 1 7 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.293 1.252 25855 3089 1 7 . 1 1 159 159 HIS CA C 159 55.375 55.375 52.977 2.398 25855 3090 1 7 . 1 1 159 159 HIS CB C 159 31.460 31.460 33.333 -1.873 25855 3091 1 7 . 1 1 159 159 HIS H H 159 7.986 7.986 8.153 -0.167 25855 3092 1 7 . 1 1 160 160 PHE HA H 160 3.186 3.186 4.296 -1.110 25855 3093 1 7 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.060 1.223 25855 3094 1 7 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.378 -0.010 25855 3095 1 7 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.151 -0.711 25855 3096 1 7 . 1 1 161 161 TYR CA C 161 62.283 62.283 62.338 -0.055 25855 3097 1 7 . 1 1 161 161 TYR CB C 161 37.837 37.837 38.415 -0.578 25855 3098 1 7 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.849 0.203 25855 3099 1 7 . 1 1 162 162 ALA CA C 162 54.843 54.843 55.081 -0.238 25855 3100 1 7 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.794 0.911 25855 3101 1 7 . 1 1 162 162 ALA H H 162 7.458 7.458 8.449 -0.991 25855 3102 1 7 . 1 1 163 163 SER HA H 163 3.832 3.832 4.019 -0.187 25855 3103 1 7 . 1 1 163 163 SER CA C 163 60.050 60.050 61.450 -1.400 25855 3104 1 7 . 1 1 163 163 SER CB C 163 63.346 63.346 63.186 0.160 25855 3105 1 7 . 1 1 163 163 SER H H 163 8.403 8.403 8.514 -0.111 25855 3106 1 7 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.277 -0.667 25855 3107 1 7 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.636 -0.073 25855 3108 1 7 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.488 -21.893 25855 3109 1 7 . 1 1 165 165 MET HA H 165 4.048 4.048 3.964 0.084 25855 3110 1 7 . 1 1 165 165 MET CA C 165 58.563 58.563 58.892 -0.328 25855 3111 1 7 . 1 1 165 165 MET CB C 165 31.991 31.991 32.425 -0.434 25855 3112 1 7 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.910 0.008 25855 3113 1 7 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.265 -0.189 25855 3114 1 7 . 1 1 166 166 ALA H H 166 8.208 8.208 7.942 0.266 25855 3115 1 7 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.907 -0.279 25855 3116 1 7 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.231 0.926 25855 3117 1 7 . 1 1 167 167 GLN H H 167 8.393 8.393 8.528 -0.135 25855 3118 1 7 . 1 1 168 168 ARG HA H 168 3.890 3.890 3.938 -0.048 25855 3119 1 7 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.625 -6.589 25855 3120 1 7 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.102 -0.237 25855 3121 1 7 . 1 1 168 168 ARG H H 168 8.220 8.220 8.403 -0.183 25855 3122 1 7 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.080 0.053 25855 3123 1 7 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.371 -0.808 25855 3124 1 7 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.930 0.061 25855 3125 1 7 . 1 1 169 169 LYS H H 169 8.042 8.042 7.569 0.473 25855 3126 1 7 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.553 -0.023 25855 3127 1 7 . 1 1 170 170 ILE CA C 170 65.472 65.472 65.895 -0.423 25855 3128 1 7 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.691 -0.917 25855 3129 1 7 . 1 1 170 170 ILE H H 170 8.190 8.190 8.092 0.098 25855 3130 1 7 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.902 -0.035 25855 3131 1 7 . 1 1 171 171 ARG CA C 171 60.051 60.051 60.003 0.048 25855 3132 1 7 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.802 -0.468 25855 3133 1 7 . 1 1 171 171 ARG H H 171 7.984 7.984 8.516 -0.532 25855 3134 1 7 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.432 -0.003 25855 3135 1 7 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.200 0.299 25855 3136 1 7 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.713 -0.219 25855 3137 1 7 . 1 1 172 172 ASP H H 172 7.993 7.993 8.163 -0.170 25855 3138 1 7 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.640 0.010 25855 3139 1 7 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.119 0.353 25855 3140 1 7 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.894 0.474 25855 3141 1 7 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.809 0.086 25855 3142 1 7 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.184 -0.684 25855 3143 1 7 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.830 -0.804 25855 3144 1 7 . 1 1 174 174 LEU H H 174 8.270 8.270 8.438 -0.168 25855 3145 1 7 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.848 0.296 25855 3146 1 7 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.235 -1.179 25855 3147 1 7 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.062 0.642 25855 3148 1 7 . 1 1 175 175 ALA H H 175 7.960 7.960 8.271 -0.311 25855 3149 1 7 . 1 1 176 176 GLN HA H 176 4.093 4.093 3.998 0.095 25855 3150 1 7 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.802 -0.748 25855 3151 1 7 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.667 0.403 25855 3152 1 7 . 1 1 176 176 GLN H H 176 7.696 7.696 7.662 0.034 25855 3153 1 7 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.573 0.252 25855 3154 1 7 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.441 -2.390 25855 3155 1 7 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.855 1.213 25855 3156 1 7 . 1 1 177 177 VAL H H 177 7.850 7.850 8.348 -0.498 25855 3157 1 7 . 1 1 179 179 GLN H H 179 7.862 7.862 7.971 -0.109 25855 3158 1 8 . 1 1 22 22 GLN H H 22 8.152 8.152 7.650 0.502 25855 3159 1 8 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.355 0.221 25855 3160 1 8 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.418 -1.313 25855 3161 1 8 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.803 1.628 25855 3162 1 8 . 1 1 23 23 GLU H H 23 7.926 7.926 8.589 -0.663 25855 3163 1 8 . 1 1 24 24 THR HA H 24 5.298 5.298 5.291 0.007 25855 3164 1 8 . 1 1 24 24 THR CA C 24 62.286 62.286 59.362 2.924 25855 3165 1 8 . 1 1 24 24 THR CB C 24 70.759 70.759 70.823 -0.064 25855 3166 1 8 . 1 1 25 25 VAL HA H 25 4.435 4.435 5.038 -0.603 25855 3167 1 8 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.377 1.244 25855 3168 1 8 . 1 1 25 25 VAL CB C 25 35.023 35.023 33.756 1.267 25855 3169 1 8 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.620 -0.081 25855 3170 1 8 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.892 -1.750 25855 3171 1 8 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.723 -0.006 25855 3172 1 8 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.103 1.532 25855 3173 1 8 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.126 0.112 25855 3174 1 8 . 1 1 27 27 VAL H H 27 9.339 9.339 7.818 1.521 25855 3175 1 8 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.302 -0.391 25855 3176 1 8 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.685 1.040 25855 3177 1 8 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.893 -0.984 25855 3178 1 8 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.936 -0.050 25855 3179 1 8 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.909 -0.795 25855 3180 1 8 . 1 1 29 29 ILE CB C 29 38.915 38.915 38.993 -0.078 25855 3181 1 8 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.352 0.156 25855 3182 1 8 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.751 -0.842 25855 3183 1 8 . 1 1 30 30 PRO CB C 30 31.841 31.841 30.754 1.087 25855 3184 1 8 . 1 1 31 31 ALA HA H 31 3.593 3.593 4.099 -0.506 25855 3185 1 8 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.843 0.653 25855 3186 1 8 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.991 -0.920 25855 3187 1 8 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.173 0.010 25855 3188 1 8 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.507 -0.166 25855 3189 1 8 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.356 -0.489 25855 3190 1 8 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.405 -0.447 25855 3191 1 8 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.213 -0.797 25855 3192 1 8 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.030 1.054 25855 3193 1 8 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.833 -0.947 25855 3194 1 8 . 1 1 34 34 VAL CA C 34 67.342 67.342 64.669 2.673 25855 3195 1 8 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.757 0.765 25855 3196 1 8 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.051 -0.152 25855 3197 1 8 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.229 -1.236 25855 3198 1 8 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.113 -0.875 25855 3199 1 8 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.082 -0.836 25855 3200 1 8 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.951 -0.500 25855 3201 1 8 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.579 -3.062 25855 3202 1 8 . 1 1 37 37 ILE CB C 37 35.310 35.310 38.071 -2.761 25855 3203 1 8 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.113 -0.224 25855 3204 1 8 . 1 1 38 38 ILE CA C 38 64.581 64.581 61.049 3.532 25855 3205 1 8 . 1 1 38 38 ILE CB C 38 38.840 38.840 37.096 1.744 25855 3206 1 8 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.369 0.783 25855 3207 1 8 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.050 0.530 25855 3208 1 8 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.229 1.141 25855 3209 1 8 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.476 0.324 25855 3210 1 8 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.196 0.146 25855 3211 1 8 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.009 -2.776 25855 3212 1 8 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.864 0.024 25855 3213 1 8 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.189 1.449 25855 3214 1 8 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.863 -0.613 25855 3215 1 8 . 1 1 46 46 LYS HA H 46 4.136 4.136 3.920 0.216 25855 3216 1 8 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.695 -0.092 25855 3217 1 8 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.770 0.700 25855 3218 1 8 . 1 1 47 47 GLN HA H 47 4.034 4.034 3.945 0.089 25855 3219 1 8 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.075 -0.033 25855 3220 1 8 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.193 0.892 25855 3221 1 8 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.370 1.001 25855 3222 1 8 . 1 1 49 49 SER HA H 49 4.183 4.183 4.283 -0.100 25855 3223 1 8 . 1 1 49 49 SER CA C 49 61.932 61.932 61.828 0.104 25855 3224 1 8 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.218 -0.059 25855 3225 1 8 . 1 1 50 50 ARG CA C 50 58.431 58.431 57.648 0.783 25855 3226 1 8 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.565 0.587 25855 3227 1 8 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.210 0.112 25855 3228 1 8 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.467 -0.648 25855 3229 1 8 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.379 0.146 25855 3230 1 8 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.445 -0.682 25855 3231 1 8 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.413 0.965 25855 3232 1 8 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.931 -0.553 25855 3233 1 8 . 1 1 52 52 ALA H H 52 8.465 8.465 7.993 0.472 25855 3234 1 8 . 1 1 53 53 SER CB C 53 61.826 61.826 61.282 0.544 25855 3235 1 8 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.561 0.371 25855 3236 1 8 . 1 1 54 54 ALA CA C 54 49.133 49.133 51.096 -1.963 25855 3237 1 8 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.167 1.231 25855 3238 1 8 . 1 1 55 55 SER HA H 55 4.766 4.766 4.856 -0.090 25855 3239 1 8 . 1 1 55 55 SER CB C 55 63.541 63.541 63.270 0.271 25855 3240 1 8 . 1 1 56 56 ILE HA H 56 4.992 4.992 5.068 -0.076 25855 3241 1 8 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.397 0.794 25855 3242 1 8 . 1 1 56 56 ILE CB C 56 40.511 40.511 40.385 0.126 25855 3243 1 8 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.668 0.086 25855 3244 1 8 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.447 0.208 25855 3245 1 8 . 1 1 57 57 LYS CB C 57 36.326 36.326 34.807 1.519 25855 3246 1 8 . 1 1 57 57 LYS H H 57 8.732 8.732 8.223 0.509 25855 3247 1 8 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.287 0.424 25855 3248 1 8 . 1 1 58 58 ILE CA C 58 60.597 60.597 60.279 0.318 25855 3249 1 8 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.924 -1.460 25855 3250 1 8 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.503 0.005 25855 3251 1 8 . 1 1 59 59 ALA CA C 59 51.688 51.688 50.175 1.514 25855 3252 1 8 . 1 1 59 59 ALA CB C 59 18.359 18.359 17.858 0.501 25855 3253 1 8 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.180 -0.141 25855 3254 1 8 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.204 0.754 25855 3255 1 8 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.288 0.142 25855 3256 1 8 . 1 1 63 63 THR HA H 63 4.786 4.786 4.803 -0.017 25855 3257 1 8 . 1 1 63 63 THR CA C 63 58.498 58.498 58.796 -0.298 25855 3258 1 8 . 1 1 63 63 THR CB C 63 69.943 69.943 70.414 -0.471 25855 3259 1 8 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.488 -0.199 25855 3260 1 8 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.425 0.308 25855 3261 1 8 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.602 0.071 25855 3262 1 8 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.659 -0.019 25855 3263 1 8 . 1 1 65 65 ASP CA C 65 52.859 52.859 52.859 0.000 25855 3264 1 8 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.399 0.061 25855 3265 1 8 . 1 1 65 65 ASP H H 65 7.985 7.985 8.105 -0.120 25855 3266 1 8 . 1 1 66 66 SER CB C 66 63.942 63.942 63.370 0.572 25855 3267 1 8 . 1 1 66 66 SER H H 66 7.515 7.515 7.686 -0.171 25855 3268 1 8 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.142 0.201 25855 3269 1 8 . 1 1 67 67 LYS CA C 67 57.242 57.242 58.468 -1.226 25855 3270 1 8 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.985 -0.182 25855 3271 1 8 . 1 1 68 68 VAL HA H 68 5.193 5.193 5.079 0.114 25855 3272 1 8 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.853 -0.881 25855 3273 1 8 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.926 1.290 25855 3274 1 8 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.809 -0.117 25855 3275 1 8 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.594 -2.321 25855 3276 1 8 . 1 1 69 69 ARG CB C 69 32.761 32.761 32.822 -0.061 25855 3277 1 8 . 1 1 70 70 MET HA H 70 3.798 3.798 4.941 -1.143 25855 3278 1 8 . 1 1 70 70 MET CA C 70 55.444 55.444 54.265 1.179 25855 3279 1 8 . 1 1 70 70 MET CB C 70 36.034 36.034 34.126 1.908 25855 3280 1 8 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.784 -0.472 25855 3281 1 8 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.234 1.663 25855 3282 1 8 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.034 0.628 25855 3283 1 8 . 1 1 72 72 VAL CA C 72 61.766 61.766 60.834 0.932 25855 3284 1 8 . 1 1 72 72 VAL CB C 72 31.464 31.464 30.709 0.755 25855 3285 1 8 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.321 0.612 25855 3286 1 8 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.608 2.182 25855 3287 1 8 . 1 1 73 73 ILE CB C 73 40.101 40.101 35.989 4.112 25855 3288 1 8 . 1 1 73 73 ILE H H 73 8.981 8.981 8.916 0.065 25855 3289 1 8 . 1 1 74 74 THR HA H 74 5.630 5.630 4.710 0.920 25855 3290 1 8 . 1 1 74 74 THR CA C 74 60.813 60.813 62.307 -1.494 25855 3291 1 8 . 1 1 74 74 THR CB C 74 70.966 70.966 69.269 1.697 25855 3292 1 8 . 1 1 74 74 THR H H 74 9.227 9.227 8.564 0.663 25855 3293 1 8 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.371 -0.339 25855 3294 1 8 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.889 0.280 25855 3295 1 8 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.184 1.264 25855 3296 1 8 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.958 -0.391 25855 3297 1 8 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.465 -0.505 25855 3298 1 8 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.920 1.166 25855 3299 1 8 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.124 0.011 25855 3300 1 8 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.559 0.340 25855 3301 1 8 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.068 -0.038 25855 3302 1 8 . 1 1 78 78 GLU H H 78 9.555 9.555 8.920 0.635 25855 3303 1 8 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.252 0.117 25855 3304 1 8 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.786 -0.513 25855 3305 1 8 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.538 1.591 25855 3306 1 8 . 1 1 79 79 ALA H H 79 7.018 7.018 7.878 -0.860 25855 3307 1 8 . 1 1 80 80 GLN HA H 80 3.782 3.782 3.993 -0.211 25855 3308 1 8 . 1 1 80 80 GLN CA C 80 58.141 58.141 59.331 -1.190 25855 3309 1 8 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.301 -0.197 25855 3310 1 8 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.020 0.389 25855 3311 1 8 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.259 0.271 25855 3312 1 8 . 1 1 81 81 PHE H H 81 8.005 8.005 8.512 -0.507 25855 3313 1 8 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.823 0.174 25855 3314 1 8 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.146 0.865 25855 3315 1 8 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.014 -0.077 25855 3316 1 8 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.368 -0.129 25855 3317 1 8 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.429 0.598 25855 3318 1 8 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.509 0.917 25855 3319 1 8 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.067 0.088 25855 3320 1 8 . 1 1 86 86 ARG CA C 86 57.053 57.053 59.041 -1.988 25855 3321 1 8 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.005 0.168 25855 3322 1 8 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.625 -0.141 25855 3323 1 8 . 1 1 87 87 ILE CA C 87 65.702 65.702 64.847 0.855 25855 3324 1 8 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.560 -0.178 25855 3325 1 8 . 1 1 87 87 ILE H H 87 7.681 7.681 7.094 0.587 25855 3326 1 8 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.095 -0.297 25855 3327 1 8 . 1 1 88 88 TYR CA C 88 62.987 62.987 62.167 0.820 25855 3328 1 8 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.734 0.369 25855 3329 1 8 . 1 1 88 88 TYR H H 88 8.021 8.021 8.455 -0.434 25855 3330 1 8 . 1 1 89 89 GLY H H 89 8.005 8.005 8.534 -0.529 25855 3331 1 8 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.100 0.077 25855 3332 1 8 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.392 -0.974 25855 3333 1 8 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.200 -0.810 25855 3334 1 8 . 1 1 91 91 LEU HA H 91 4.138 4.138 3.306 0.832 25855 3335 1 8 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.638 0.167 25855 3336 1 8 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.069 -0.336 25855 3337 1 8 . 1 1 91 91 LEU H H 91 7.545 7.545 8.359 -0.814 25855 3338 1 8 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.104 0.212 25855 3339 1 8 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.956 -1.190 25855 3340 1 8 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.429 -0.295 25855 3341 1 8 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.256 -0.171 25855 3342 1 8 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.432 0.506 25855 3343 1 8 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.401 -0.142 25855 3344 1 8 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.100 0.294 25855 3345 1 8 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.410 0.125 25855 3346 1 8 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.524 -0.016 25855 3347 1 8 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.581 0.918 25855 3348 1 8 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.855 0.199 25855 3349 1 8 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.156 0.001 25855 3350 1 8 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.112 1.518 25855 3351 1 8 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.557 -1.084 25855 3352 1 8 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.794 -0.243 25855 3353 1 8 . 1 1 97 97 PHE CA C 97 57.092 57.092 57.392 -0.300 25855 3354 1 8 . 1 1 97 97 PHE CB C 97 41.072 41.072 41.776 -0.704 25855 3355 1 8 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.219 -1.473 25855 3356 1 8 . 1 1 98 98 GLY H H 98 8.539 8.539 8.975 -0.436 25855 3357 1 8 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.306 0.072 25855 3358 1 8 . 1 1 99 99 PRO CA C 99 64.940 64.940 63.152 1.788 25855 3359 1 8 . 1 1 99 99 PRO CB C 99 31.991 31.991 30.552 1.439 25855 3360 1 8 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.331 0.028 25855 3361 1 8 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.714 -0.808 25855 3362 1 8 . 1 1 100 100 LYS CB C 100 31.991 31.991 30.854 1.137 25855 3363 1 8 . 1 1 100 100 LYS H H 100 8.622 8.622 7.898 0.724 25855 3364 1 8 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.127 0.261 25855 3365 1 8 . 1 1 101 101 GLU CA C 101 55.906 55.906 57.242 -1.336 25855 3366 1 8 . 1 1 101 101 GLU CB C 101 32.523 32.523 29.551 2.972 25855 3367 1 8 . 1 1 101 101 GLU H H 101 7.569 7.569 7.606 -0.037 25855 3368 1 8 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.331 -0.035 25855 3369 1 8 . 1 1 102 102 GLU CA C 102 55.375 55.375 54.725 0.650 25855 3370 1 8 . 1 1 102 102 GLU CB C 102 30.397 30.397 32.431 -2.034 25855 3371 1 8 . 1 1 102 102 GLU H H 102 8.440 8.440 7.790 0.650 25855 3372 1 8 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.284 -0.516 25855 3373 1 8 . 1 1 103 103 VAL CA C 103 63.346 63.346 59.382 3.964 25855 3374 1 8 . 1 1 103 103 VAL CB C 103 31.991 31.991 34.343 -2.352 25855 3375 1 8 . 1 1 103 103 VAL H H 103 8.552 8.552 8.160 0.392 25855 3376 1 8 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.780 -0.166 25855 3377 1 8 . 1 1 104 104 LYS CA C 104 55.375 55.375 55.171 0.204 25855 3378 1 8 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.089 3.091 25855 3379 1 8 . 1 1 104 104 LYS H H 104 6.924 6.924 7.548 -0.624 25855 3380 1 8 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.909 0.002 25855 3381 1 8 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.565 -0.848 25855 3382 1 8 . 1 1 105 105 LEU CB C 105 45.277 45.277 47.077 -1.800 25855 3383 1 8 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.855 0.053 25855 3384 1 8 . 1 1 106 106 GLU CA C 106 57.055 57.055 55.051 2.004 25855 3385 1 8 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.901 0.168 25855 3386 1 8 . 1 1 106 106 GLU H H 106 8.982 8.982 8.969 0.013 25855 3387 1 8 . 1 1 107 107 THR HA H 107 5.524 5.524 4.704 0.820 25855 3388 1 8 . 1 1 107 107 THR CA C 107 61.220 61.220 62.880 -1.660 25855 3389 1 8 . 1 1 107 107 THR CB C 107 71.849 71.849 69.885 1.964 25855 3390 1 8 . 1 1 107 107 THR H H 107 9.357 9.357 8.968 0.389 25855 3391 1 8 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.555 0.506 25855 3392 1 8 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.793 -1.544 25855 3393 1 8 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.616 3.564 25855 3394 1 8 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.749 -0.109 25855 3395 1 8 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.464 0.631 25855 3396 1 8 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.566 -0.540 25855 3397 1 8 . 1 1 109 109 ILE H H 109 8.818 8.818 9.184 -0.366 25855 3398 1 8 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.427 -0.193 25855 3399 1 8 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.141 0.702 25855 3400 1 8 . 1 1 110 110 ARG CB C 110 31.991 31.991 31.280 0.711 25855 3401 1 8 . 1 1 110 110 ARG H H 110 8.568 8.568 8.389 0.179 25855 3402 1 8 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.780 0.094 25855 3403 1 8 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.724 -0.755 25855 3404 1 8 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.210 -0.625 25855 3405 1 8 . 1 1 111 111 VAL H H 111 8.935 8.935 7.784 1.151 25855 3406 1 8 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.370 0.129 25855 3407 1 8 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.811 -0.465 25855 3408 1 8 . 1 1 112 112 PRO CB C 112 31.991 31.991 30.130 1.861 25855 3409 1 8 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.117 -0.207 25855 3410 1 8 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.770 1.137 25855 3411 1 8 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.846 -0.672 25855 3412 1 8 . 1 1 113 113 ALA H H 113 9.220 9.220 8.897 0.323 25855 3413 1 8 . 1 1 114 114 SER HA H 114 4.210 4.210 4.235 -0.025 25855 3414 1 8 . 1 1 114 114 SER CA C 114 60.157 60.157 60.124 0.033 25855 3415 1 8 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.639 -0.154 25855 3416 1 8 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.439 0.747 25855 3417 1 8 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.844 0.455 25855 3418 1 8 . 1 1 115 115 ALA H H 115 7.752 7.752 7.846 -0.094 25855 3419 1 8 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.004 -0.417 25855 3420 1 8 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.654 -0.279 25855 3421 1 8 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.567 -0.393 25855 3422 1 8 . 1 1 116 116 ALA H H 116 7.429 7.429 7.467 -0.038 25855 3423 1 8 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.555 -0.215 25855 3424 1 8 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.183 -0.006 25855 3425 1 8 . 1 1 118 118 ARG CB C 118 30.397 30.397 29.652 0.745 25855 3426 1 8 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.709 -0.057 25855 3427 1 8 . 1 1 119 119 VAL CA C 119 64.940 64.940 66.548 -1.608 25855 3428 1 8 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.430 0.561 25855 3429 1 8 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.903 -0.076 25855 3430 1 8 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.739 1.692 25855 3431 1 8 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.383 -1.321 25855 3432 1 8 . 1 1 121 121 GLY H H 121 7.924 7.924 7.361 0.563 25855 3433 1 8 . 1 1 125 125 LYS HA H 125 4.147 4.147 3.990 0.157 25855 3434 1 8 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.676 0.243 25855 3435 1 8 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.434 0.054 25855 3436 1 8 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.957 -1.582 25855 3437 1 8 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.763 -0.395 25855 3438 1 8 . 1 1 128 128 ASN H H 128 8.050 8.050 7.975 0.075 25855 3439 1 8 . 1 1 129 129 GLU H H 129 8.138 8.138 7.992 0.146 25855 3440 1 8 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.979 0.081 25855 3441 1 8 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.907 0.181 25855 3442 1 8 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.064 0.230 25855 3443 1 8 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.965 0.130 25855 3444 1 8 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.674 0.607 25855 3445 1 8 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.482 -0.211 25855 3446 1 8 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.186 -0.035 25855 3447 1 8 . 1 1 134 134 THR HA H 134 4.324 4.324 4.433 -0.109 25855 3448 1 8 . 1 1 134 134 THR CA C 134 61.752 61.752 62.313 -0.562 25855 3449 1 8 . 1 1 134 134 THR CB C 134 70.047 70.047 70.370 -0.323 25855 3450 1 8 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.946 0.161 25855 3451 1 8 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.599 1.181 25855 3452 1 8 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.950 1.224 25855 3453 1 8 . 1 1 135 135 ALA H H 135 8.013 8.013 7.746 0.267 25855 3454 1 8 . 1 1 136 136 ALA HA H 136 4.539 4.539 5.304 -0.765 25855 3455 1 8 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.536 0.587 25855 3456 1 8 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.037 -1.269 25855 3457 1 8 . 1 1 136 136 ALA H H 136 8.011 8.011 7.454 0.557 25855 3458 1 8 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.605 -0.174 25855 3459 1 8 . 1 1 137 137 GLU CB C 137 36.243 36.243 33.500 2.743 25855 3460 1 8 . 1 1 137 137 GLU H H 137 8.439 8.439 8.155 0.284 25855 3461 1 8 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.923 -0.041 25855 3462 1 8 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.553 -0.333 25855 3463 1 8 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.469 2.116 25855 3464 1 8 . 1 1 138 138 VAL H H 138 8.280 8.280 8.534 -0.254 25855 3465 1 8 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.318 -0.097 25855 3466 1 8 . 1 1 139 139 VAL CA C 139 60.689 60.689 61.165 -0.476 25855 3467 1 8 . 1 1 139 139 VAL CB C 139 36.243 36.243 32.890 3.353 25855 3468 1 8 . 1 1 139 139 VAL H H 139 9.055 9.055 8.864 0.191 25855 3469 1 8 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.611 0.011 25855 3470 1 8 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.246 0.317 25855 3471 1 8 . 1 1 140 140 VAL CB C 140 31.991 31.991 31.840 0.151 25855 3472 1 8 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.336 -0.107 25855 3473 1 8 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.851 0.495 25855 3474 1 8 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.212 -0.752 25855 3475 1 8 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.123 0.111 25855 3476 1 8 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.191 -0.754 25855 3477 1 8 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.100 0.828 25855 3478 1 8 . 1 1 142 142 ARG H H 142 8.499 8.499 8.450 0.049 25855 3479 1 8 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.256 0.154 25855 3480 1 8 . 1 1 143 143 ASP CA C 143 54.312 54.312 56.122 -1.810 25855 3481 1 8 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.291 -0.860 25855 3482 1 8 . 1 1 143 143 ASP H H 143 8.691 8.691 8.706 -0.015 25855 3483 1 8 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.420 -0.055 25855 3484 1 8 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.245 -1.189 25855 3485 1 8 . 1 1 144 144 GLN CB C 144 31.069 31.069 31.015 0.054 25855 3486 1 8 . 1 1 144 144 GLN H H 144 7.898 7.898 8.267 -0.369 25855 3487 1 8 . 1 1 145 145 THR HA H 145 4.619 4.619 4.624 -0.005 25855 3488 1 8 . 1 1 145 145 THR CA C 145 59.626 59.626 60.955 -1.329 25855 3489 1 8 . 1 1 145 145 THR CB C 145 70.255 70.255 68.972 1.282 25855 3490 1 8 . 1 1 145 145 THR H H 145 8.695 8.695 8.500 0.195 25855 3491 1 8 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.687 -0.347 25855 3492 1 8 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.658 0.157 25855 3493 1 8 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.557 -0.008 25855 3494 1 8 . 1 1 147 147 ASP CA C 147 52.717 52.717 54.759 -2.042 25855 3495 1 8 . 1 1 147 147 ASP CB C 147 41.026 41.026 42.006 -0.980 25855 3496 1 8 . 1 1 147 147 ASP H H 147 8.506 8.506 8.417 0.089 25855 3497 1 8 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.073 0.097 25855 3498 1 8 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.434 0.129 25855 3499 1 8 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.295 -1.024 25855 3500 1 8 . 1 1 148 148 GLU H H 148 9.159 9.159 8.727 0.432 25855 3501 1 8 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.760 0.176 25855 3502 1 8 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.647 0.070 25855 3503 1 8 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.336 1.095 25855 3504 1 8 . 1 1 149 149 ASN H H 149 8.364 8.364 7.920 0.444 25855 3505 1 8 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.892 -0.121 25855 3506 1 8 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.514 -0.014 25855 3507 1 8 . 1 1 150 150 GLU CB C 150 27.850 27.850 26.630 1.220 25855 3508 1 8 . 1 1 150 150 GLU H H 150 8.542 8.542 7.905 0.637 25855 3509 1 8 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.475 -0.454 25855 3510 1 8 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.222 0.621 25855 3511 1 8 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.145 -2.076 25855 3512 1 8 . 1 1 151 151 GLN H H 151 8.441 8.441 7.546 0.895 25855 3513 1 8 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.527 0.055 25855 3514 1 8 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.106 -0.543 25855 3515 1 8 . 1 1 152 152 VAL CB C 152 34.117 34.117 34.291 -0.174 25855 3516 1 8 . 1 1 152 152 VAL H H 152 8.999 8.999 8.433 0.566 25855 3517 1 8 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.745 -0.117 25855 3518 1 8 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.363 1.857 25855 3519 1 8 . 1 1 153 153 ILE CB C 153 40.494 40.494 36.461 4.033 25855 3520 1 8 . 1 1 153 153 ILE H H 153 8.972 8.972 8.352 0.620 25855 3521 1 8 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.755 -0.521 25855 3522 1 8 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.218 2.534 25855 3523 1 8 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.587 -1.002 25855 3524 1 8 . 1 1 154 154 VAL H H 154 8.557 8.557 8.561 -0.004 25855 3525 1 8 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.593 -0.439 25855 3526 1 8 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.282 0.560 25855 3527 1 8 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.537 -0.889 25855 3528 1 8 . 1 1 155 155 LYS H H 155 8.951 8.951 8.831 0.120 25855 3529 1 8 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.130 -0.095 25855 3530 1 8 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.884 0.273 25855 3531 1 8 . 1 1 156 156 ILE CB C 156 41.557 41.557 40.414 1.143 25855 3532 1 8 . 1 1 156 156 ILE H H 156 9.538 9.538 9.084 0.454 25855 3533 1 8 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.395 -0.294 25855 3534 1 8 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.519 2.170 25855 3535 1 8 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.848 2.646 25855 3536 1 8 . 1 1 157 157 ILE H H 157 9.468 9.468 8.727 0.741 25855 3537 1 8 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.379 0.430 25855 3538 1 8 . 1 1 158 158 GLY H H 158 8.236 8.236 8.061 0.175 25855 3539 1 8 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.207 0.338 25855 3540 1 8 . 1 1 159 159 HIS CA C 159 55.375 55.375 52.151 3.224 25855 3541 1 8 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.797 -1.337 25855 3542 1 8 . 1 1 159 159 HIS H H 159 7.986 7.986 7.911 0.075 25855 3543 1 8 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.426 -0.240 25855 3544 1 8 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.399 0.884 25855 3545 1 8 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.887 0.481 25855 3546 1 8 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.278 -0.838 25855 3547 1 8 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.800 0.483 25855 3548 1 8 . 1 1 161 161 TYR CB C 161 37.837 37.837 38.250 -0.413 25855 3549 1 8 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.856 0.196 25855 3550 1 8 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.835 0.008 25855 3551 1 8 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.743 0.962 25855 3552 1 8 . 1 1 162 162 ALA H H 162 7.458 7.458 8.111 -0.653 25855 3553 1 8 . 1 1 163 163 SER HA H 163 3.832 3.832 4.014 -0.182 25855 3554 1 8 . 1 1 163 163 SER CA C 163 60.050 60.050 61.887 -1.837 25855 3555 1 8 . 1 1 163 163 SER CB C 163 63.346 63.346 63.100 0.246 25855 3556 1 8 . 1 1 163 163 SER H H 163 8.403 8.403 8.444 -0.041 25855 3557 1 8 . 1 1 164 164 GLN HA H 164 3.610 3.610 3.975 -0.365 25855 3558 1 8 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.500 0.063 25855 3559 1 8 . 1 1 164 164 GLN CB C 164 6.594 6.594 27.972 -21.378 25855 3560 1 8 . 1 1 165 165 MET HA H 165 4.048 4.048 4.072 -0.024 25855 3561 1 8 . 1 1 165 165 MET CA C 165 58.563 58.563 57.254 1.309 25855 3562 1 8 . 1 1 165 165 MET CB C 165 31.991 31.991 31.936 0.055 25855 3563 1 8 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.864 0.054 25855 3564 1 8 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.162 -0.086 25855 3565 1 8 . 1 1 166 166 ALA H H 166 8.208 8.208 8.705 -0.497 25855 3566 1 8 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.964 -0.336 25855 3567 1 8 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.301 0.856 25855 3568 1 8 . 1 1 167 167 GLN H H 167 8.393 8.393 8.339 0.054 25855 3569 1 8 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.009 -0.119 25855 3570 1 8 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.554 -5.518 25855 3571 1 8 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.951 -0.086 25855 3572 1 8 . 1 1 168 168 ARG H H 168 8.220 8.220 7.616 0.604 25855 3573 1 8 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.010 0.123 25855 3574 1 8 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.301 -0.738 25855 3575 1 8 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.974 0.017 25855 3576 1 8 . 1 1 169 169 LYS H H 169 8.042 8.042 8.029 0.013 25855 3577 1 8 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.874 -0.344 25855 3578 1 8 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.754 0.718 25855 3579 1 8 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.611 -0.837 25855 3580 1 8 . 1 1 170 170 ILE H H 170 8.190 8.190 8.281 -0.091 25855 3581 1 8 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.987 -0.120 25855 3582 1 8 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.309 1.742 25855 3583 1 8 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.149 0.185 25855 3584 1 8 . 1 1 171 171 ARG H H 171 7.984 7.984 8.069 -0.085 25855 3585 1 8 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.415 0.014 25855 3586 1 8 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.293 0.207 25855 3587 1 8 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.723 -0.229 25855 3588 1 8 . 1 1 172 172 ASP H H 172 7.993 7.993 8.363 -0.370 25855 3589 1 8 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.597 0.053 25855 3590 1 8 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.145 0.327 25855 3591 1 8 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.837 0.532 25855 3592 1 8 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.834 0.061 25855 3593 1 8 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.241 -0.741 25855 3594 1 8 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.258 -0.232 25855 3595 1 8 . 1 1 174 174 LEU H H 174 8.270 8.270 8.441 -0.171 25855 3596 1 8 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.860 0.284 25855 3597 1 8 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.173 -1.117 25855 3598 1 8 . 1 1 175 175 ALA CB C 175 18.705 18.705 17.970 0.735 25855 3599 1 8 . 1 1 175 175 ALA H H 175 7.960 7.960 7.937 0.023 25855 3600 1 8 . 1 1 176 176 GLN HA H 176 4.093 4.093 3.945 0.148 25855 3601 1 8 . 1 1 176 176 GLN CA C 176 58.054 58.054 59.006 -0.952 25855 3602 1 8 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.636 0.434 25855 3603 1 8 . 1 1 176 176 GLN H H 176 7.696 7.696 7.879 -0.183 25855 3604 1 8 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.963 -0.138 25855 3605 1 8 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.171 -1.121 25855 3606 1 8 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.434 0.634 25855 3607 1 8 . 1 1 177 177 VAL H H 177 7.850 7.850 8.001 -0.151 25855 3608 1 8 . 1 1 179 179 GLN H H 179 7.862 7.862 8.194 -0.332 25855 3609 1 9 . 1 1 22 22 GLN H H 22 8.152 8.152 7.654 0.498 25855 3610 1 9 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.181 0.395 25855 3611 1 9 . 1 1 23 23 GLU CA C 23 55.105 55.105 57.136 -2.031 25855 3612 1 9 . 1 1 23 23 GLU CB C 23 32.431 32.431 29.361 3.070 25855 3613 1 9 . 1 1 23 23 GLU H H 23 7.926 7.926 8.743 -0.817 25855 3614 1 9 . 1 1 24 24 THR HA H 24 5.298 5.298 5.515 -0.217 25855 3615 1 9 . 1 1 24 24 THR CA C 24 62.286 62.286 60.939 1.347 25855 3616 1 9 . 1 1 24 24 THR CB C 24 70.759 70.759 71.869 -1.110 25855 3617 1 9 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.489 -0.054 25855 3618 1 9 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.304 1.317 25855 3619 1 9 . 1 1 25 25 VAL CB C 25 35.023 35.023 33.562 1.461 25855 3620 1 9 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.701 -0.162 25855 3621 1 9 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.218 -1.076 25855 3622 1 9 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.154 0.563 25855 3623 1 9 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.924 -1.289 25855 3624 1 9 . 1 1 27 27 VAL CB C 27 35.238 35.238 32.107 3.131 25855 3625 1 9 . 1 1 27 27 VAL H H 27 9.339 9.339 8.045 1.294 25855 3626 1 9 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.704 -0.793 25855 3627 1 9 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.597 1.128 25855 3628 1 9 . 1 1 28 28 PHE CB C 28 38.909 38.909 41.209 -2.300 25855 3629 1 9 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.985 -0.099 25855 3630 1 9 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.386 -0.273 25855 3631 1 9 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.175 -1.260 25855 3632 1 9 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.718 -0.209 25855 3633 1 9 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.181 -0.272 25855 3634 1 9 . 1 1 30 30 PRO CB C 30 31.841 31.841 30.860 0.980 25855 3635 1 9 . 1 1 31 31 ALA HA H 31 3.593 3.593 4.123 -0.530 25855 3636 1 9 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.285 1.211 25855 3637 1 9 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.860 -0.789 25855 3638 1 9 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.197 -0.014 25855 3639 1 9 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.459 -0.118 25855 3640 1 9 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.500 -0.633 25855 3641 1 9 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.563 -0.605 25855 3642 1 9 . 1 1 33 33 ALA CA C 33 51.416 51.416 51.869 -0.453 25855 3643 1 9 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.877 0.207 25855 3644 1 9 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.844 -0.958 25855 3645 1 9 . 1 1 34 34 VAL CA C 34 67.342 67.342 64.778 2.563 25855 3646 1 9 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.654 0.868 25855 3647 1 9 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.245 -0.346 25855 3648 1 9 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.295 -1.302 25855 3649 1 9 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.544 -1.306 25855 3650 1 9 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.757 -0.510 25855 3651 1 9 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.790 -0.339 25855 3652 1 9 . 1 1 37 37 ILE CA C 37 60.517 60.517 64.341 -3.824 25855 3653 1 9 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.491 -2.181 25855 3654 1 9 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.038 -0.149 25855 3655 1 9 . 1 1 38 38 ILE CA C 38 64.581 64.581 61.214 3.368 25855 3656 1 9 . 1 1 38 38 ILE CB C 38 38.840 38.840 36.900 1.940 25855 3657 1 9 . 1 1 39 39 GLY CA C 39 47.152 47.152 45.958 1.194 25855 3658 1 9 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.169 0.411 25855 3659 1 9 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.494 0.876 25855 3660 1 9 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.040 0.760 25855 3661 1 9 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.133 0.209 25855 3662 1 9 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.736 -2.503 25855 3663 1 9 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.792 0.096 25855 3664 1 9 . 1 1 45 45 ILE CA C 45 64.638 64.638 62.838 1.800 25855 3665 1 9 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.878 -0.628 25855 3666 1 9 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.139 -0.003 25855 3667 1 9 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.505 1.098 25855 3668 1 9 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.421 0.049 25855 3669 1 9 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.105 -0.071 25855 3670 1 9 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.119 -0.077 25855 3671 1 9 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.866 0.219 25855 3672 1 9 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.471 0.900 25855 3673 1 9 . 1 1 49 49 SER HA H 49 4.183 4.183 4.329 -0.146 25855 3674 1 9 . 1 1 49 49 SER CA C 49 61.932 61.932 62.014 -0.082 25855 3675 1 9 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.257 -0.098 25855 3676 1 9 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.560 -0.129 25855 3677 1 9 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.084 0.068 25855 3678 1 9 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.224 0.098 25855 3679 1 9 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.978 -1.159 25855 3680 1 9 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.310 0.215 25855 3681 1 9 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.483 -0.720 25855 3682 1 9 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.464 0.914 25855 3683 1 9 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.847 -0.469 25855 3684 1 9 . 1 1 52 52 ALA H H 52 8.465 8.465 7.704 0.761 25855 3685 1 9 . 1 1 53 53 SER CB C 53 61.826 61.826 61.431 0.395 25855 3686 1 9 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.566 0.366 25855 3687 1 9 . 1 1 54 54 ALA CA C 54 49.133 49.133 51.019 -1.886 25855 3688 1 9 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.463 0.935 25855 3689 1 9 . 1 1 55 55 SER HA H 55 4.766 4.766 4.795 -0.029 25855 3690 1 9 . 1 1 55 55 SER CB C 55 63.541 63.541 62.420 1.121 25855 3691 1 9 . 1 1 56 56 ILE HA H 56 4.992 4.992 5.590 -0.598 25855 3692 1 9 . 1 1 56 56 ILE CA C 56 60.191 60.191 58.845 1.346 25855 3693 1 9 . 1 1 56 56 ILE CB C 56 40.511 40.511 41.422 -0.911 25855 3694 1 9 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.721 0.033 25855 3695 1 9 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.535 0.120 25855 3696 1 9 . 1 1 57 57 LYS CB C 57 36.326 36.326 35.254 1.072 25855 3697 1 9 . 1 1 57 57 LYS H H 57 8.732 8.732 8.118 0.614 25855 3698 1 9 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.655 0.056 25855 3699 1 9 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.510 1.087 25855 3700 1 9 . 1 1 58 58 ILE CB C 58 37.464 37.464 39.167 -1.703 25855 3701 1 9 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.772 -0.264 25855 3702 1 9 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.025 2.663 25855 3703 1 9 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.358 0.000 25855 3704 1 9 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.081 -0.042 25855 3705 1 9 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.096 0.862 25855 3706 1 9 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.325 0.105 25855 3707 1 9 . 1 1 63 63 THR HA H 63 4.786 4.786 4.837 -0.051 25855 3708 1 9 . 1 1 63 63 THR CA C 63 58.498 58.498 58.714 -0.216 25855 3709 1 9 . 1 1 63 63 THR CB C 63 69.943 69.943 70.507 -0.564 25855 3710 1 9 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.400 -0.111 25855 3711 1 9 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.268 0.465 25855 3712 1 9 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.699 -0.026 25855 3713 1 9 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.707 -0.067 25855 3714 1 9 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.163 -1.304 25855 3715 1 9 . 1 1 65 65 ASP CB C 65 40.460 40.460 41.001 -0.541 25855 3716 1 9 . 1 1 65 65 ASP H H 65 7.985 7.985 8.228 -0.243 25855 3717 1 9 . 1 1 66 66 SER CB C 66 63.942 63.942 62.299 1.643 25855 3718 1 9 . 1 1 66 66 SER H H 66 7.515 7.515 7.626 -0.111 25855 3719 1 9 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.491 -0.148 25855 3720 1 9 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.052 0.190 25855 3721 1 9 . 1 1 67 67 LYS CB C 67 32.803 32.803 33.881 -1.078 25855 3722 1 9 . 1 1 68 68 VAL HA H 68 5.193 5.193 5.408 -0.215 25855 3723 1 9 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.002 -0.030 25855 3724 1 9 . 1 1 68 68 VAL CB C 68 36.216 36.216 36.146 0.070 25855 3725 1 9 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.815 -0.123 25855 3726 1 9 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.335 -2.062 25855 3727 1 9 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.131 -0.370 25855 3728 1 9 . 1 1 70 70 MET HA H 70 3.798 3.798 5.058 -1.260 25855 3729 1 9 . 1 1 70 70 MET CA C 70 55.444 55.444 53.402 2.042 25855 3730 1 9 . 1 1 70 70 MET CB C 70 36.034 36.034 35.680 0.354 25855 3731 1 9 . 1 1 71 71 VAL HA H 71 4.312 4.312 5.020 -0.708 25855 3732 1 9 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.061 1.836 25855 3733 1 9 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.708 -0.046 25855 3734 1 9 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.483 0.283 25855 3735 1 9 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.335 -0.871 25855 3736 1 9 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.646 0.287 25855 3737 1 9 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.766 2.024 25855 3738 1 9 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.435 3.666 25855 3739 1 9 . 1 1 73 73 ILE H H 73 8.981 8.981 9.109 -0.128 25855 3740 1 9 . 1 1 74 74 THR HA H 74 5.630 5.630 5.203 0.427 25855 3741 1 9 . 1 1 74 74 THR CA C 74 60.813 60.813 61.295 -0.482 25855 3742 1 9 . 1 1 74 74 THR CB C 74 70.966 70.966 70.038 0.928 25855 3743 1 9 . 1 1 74 74 THR H H 74 9.227 9.227 8.881 0.346 25855 3744 1 9 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.684 -0.652 25855 3745 1 9 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.831 0.338 25855 3746 1 9 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.694 0.754 25855 3747 1 9 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.947 -0.380 25855 3748 1 9 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.425 -0.465 25855 3749 1 9 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.424 1.662 25855 3750 1 9 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.228 -0.093 25855 3751 1 9 . 1 1 78 78 GLU CA C 78 59.899 59.899 60.307 -0.408 25855 3752 1 9 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.617 0.413 25855 3753 1 9 . 1 1 78 78 GLU H H 78 9.555 9.555 9.058 0.497 25855 3754 1 9 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.289 0.080 25855 3755 1 9 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.828 -0.555 25855 3756 1 9 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.377 1.752 25855 3757 1 9 . 1 1 79 79 ALA H H 79 7.018 7.018 7.738 -0.720 25855 3758 1 9 . 1 1 80 80 GLN HA H 80 3.782 3.782 3.891 -0.109 25855 3759 1 9 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.824 -0.683 25855 3760 1 9 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.300 -0.196 25855 3761 1 9 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.856 -0.447 25855 3762 1 9 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.582 0.948 25855 3763 1 9 . 1 1 81 81 PHE H H 81 8.005 8.005 8.013 -0.008 25855 3764 1 9 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.031 -0.034 25855 3765 1 9 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.897 0.114 25855 3766 1 9 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.180 -0.243 25855 3767 1 9 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.150 0.089 25855 3768 1 9 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.160 0.867 25855 3769 1 9 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.804 0.622 25855 3770 1 9 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.173 -0.018 25855 3771 1 9 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.567 -1.514 25855 3772 1 9 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.005 0.168 25855 3773 1 9 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.623 -0.139 25855 3774 1 9 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.299 0.403 25855 3775 1 9 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.850 -0.468 25855 3776 1 9 . 1 1 87 87 ILE H H 87 7.681 7.681 7.639 0.042 25855 3777 1 9 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.134 -0.336 25855 3778 1 9 . 1 1 88 88 TYR CA C 88 62.987 62.987 62.167 0.820 25855 3779 1 9 . 1 1 88 88 TYR CB C 88 38.104 38.104 38.228 -0.124 25855 3780 1 9 . 1 1 88 88 TYR H H 88 8.021 8.021 8.899 -0.878 25855 3781 1 9 . 1 1 89 89 GLY H H 89 8.005 8.005 8.507 -0.502 25855 3782 1 9 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.080 0.097 25855 3783 1 9 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.412 -0.994 25855 3784 1 9 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.014 -0.624 25855 3785 1 9 . 1 1 91 91 LEU HA H 91 4.138 4.138 3.427 0.711 25855 3786 1 9 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.205 0.600 25855 3787 1 9 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.056 0.677 25855 3788 1 9 . 1 1 91 91 LEU H H 91 7.545 7.545 7.730 -0.185 25855 3789 1 9 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.153 0.163 25855 3790 1 9 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.607 0.158 25855 3791 1 9 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.942 0.192 25855 3792 1 9 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.166 -0.081 25855 3793 1 9 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.309 0.629 25855 3794 1 9 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.395 -0.136 25855 3795 1 9 . 1 1 94 94 GLU CA C 94 55.394 55.394 54.788 0.606 25855 3796 1 9 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.604 -0.069 25855 3797 1 9 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.424 0.084 25855 3798 1 9 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.924 0.575 25855 3799 1 9 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.794 0.260 25855 3800 1 9 . 1 1 96 96 PHE HA H 96 4.157 4.157 3.957 0.200 25855 3801 1 9 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.449 1.181 25855 3802 1 9 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.088 -0.615 25855 3803 1 9 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.900 -0.349 25855 3804 1 9 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.789 0.303 25855 3805 1 9 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.633 1.439 25855 3806 1 9 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.013 -1.267 25855 3807 1 9 . 1 1 98 98 GLY H H 98 8.539 8.539 8.506 0.033 25855 3808 1 9 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.493 -0.115 25855 3809 1 9 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.284 0.656 25855 3810 1 9 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.839 0.152 25855 3811 1 9 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.443 -0.084 25855 3812 1 9 . 1 1 100 100 LYS CA C 100 55.906 55.906 57.217 -1.311 25855 3813 1 9 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.635 -1.644 25855 3814 1 9 . 1 1 100 100 LYS H H 100 8.622 8.622 8.501 0.121 25855 3815 1 9 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.549 -0.161 25855 3816 1 9 . 1 1 101 101 GLU CA C 101 55.906 55.906 54.964 0.942 25855 3817 1 9 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.249 0.274 25855 3818 1 9 . 1 1 101 101 GLU H H 101 7.569 7.569 7.874 -0.305 25855 3819 1 9 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.568 -0.272 25855 3820 1 9 . 1 1 102 102 GLU CA C 102 55.375 55.375 54.767 0.609 25855 3821 1 9 . 1 1 102 102 GLU CB C 102 30.397 30.397 31.562 -1.165 25855 3822 1 9 . 1 1 102 102 GLU H H 102 8.440 8.440 8.423 0.017 25855 3823 1 9 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.831 -1.063 25855 3824 1 9 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.681 0.665 25855 3825 1 9 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.876 -0.885 25855 3826 1 9 . 1 1 103 103 VAL H H 103 8.552 8.552 8.372 0.180 25855 3827 1 9 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.828 -0.214 25855 3828 1 9 . 1 1 104 104 LYS CA C 104 55.375 55.375 55.163 0.212 25855 3829 1 9 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.988 3.192 25855 3830 1 9 . 1 1 104 104 LYS H H 104 6.924 6.924 7.466 -0.542 25855 3831 1 9 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.747 0.164 25855 3832 1 9 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.416 -0.699 25855 3833 1 9 . 1 1 105 105 LEU CB C 105 45.277 45.277 46.715 -1.438 25855 3834 1 9 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.980 -0.072 25855 3835 1 9 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.854 2.201 25855 3836 1 9 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.566 0.504 25855 3837 1 9 . 1 1 106 106 GLU H H 106 8.982 8.982 8.541 0.441 25855 3838 1 9 . 1 1 107 107 THR HA H 107 5.524 5.524 5.348 0.176 25855 3839 1 9 . 1 1 107 107 THR CA C 107 61.220 61.220 61.732 -0.512 25855 3840 1 9 . 1 1 107 107 THR CB C 107 71.849 71.849 70.451 1.398 25855 3841 1 9 . 1 1 107 107 THR H H 107 9.357 9.357 8.455 0.902 25855 3842 1 9 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.429 0.632 25855 3843 1 9 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.767 -1.518 25855 3844 1 9 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.119 4.061 25855 3845 1 9 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.741 -0.101 25855 3846 1 9 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.526 0.569 25855 3847 1 9 . 1 1 109 109 ILE CB C 109 41.026 41.026 42.091 -1.065 25855 3848 1 9 . 1 1 109 109 ILE H H 109 8.818 8.818 8.595 0.223 25855 3849 1 9 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.488 -0.254 25855 3850 1 9 . 1 1 110 110 ARG CA C 110 54.843 54.843 53.977 0.865 25855 3851 1 9 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.877 1.114 25855 3852 1 9 . 1 1 110 110 ARG H H 110 8.568 8.568 8.482 0.086 25855 3853 1 9 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.813 0.061 25855 3854 1 9 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.791 -0.822 25855 3855 1 9 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.078 -0.493 25855 3856 1 9 . 1 1 111 111 VAL H H 111 8.935 8.935 8.007 0.928 25855 3857 1 9 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.408 0.091 25855 3858 1 9 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.520 -0.174 25855 3859 1 9 . 1 1 112 112 PRO CB C 112 31.991 31.991 30.215 1.776 25855 3860 1 9 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.055 -0.145 25855 3861 1 9 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.218 0.688 25855 3862 1 9 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.535 -0.361 25855 3863 1 9 . 1 1 113 113 ALA H H 113 9.220 9.220 9.153 0.067 25855 3864 1 9 . 1 1 114 114 SER HA H 114 4.210 4.210 4.328 -0.118 25855 3865 1 9 . 1 1 114 114 SER CA C 114 60.157 60.157 59.781 0.376 25855 3866 1 9 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.663 -0.178 25855 3867 1 9 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.269 0.917 25855 3868 1 9 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.982 1.317 25855 3869 1 9 . 1 1 115 115 ALA H H 115 7.752 7.752 8.004 -0.252 25855 3870 1 9 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.060 -0.473 25855 3871 1 9 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.506 -0.131 25855 3872 1 9 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.469 -0.295 25855 3873 1 9 . 1 1 116 116 ALA H H 116 7.429 7.429 7.583 -0.154 25855 3874 1 9 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.350 0.990 25855 3875 1 9 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.294 -0.117 25855 3876 1 9 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.554 -0.157 25855 3877 1 9 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.907 -0.255 25855 3878 1 9 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.029 -0.089 25855 3879 1 9 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.490 0.501 25855 3880 1 9 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.972 -0.145 25855 3881 1 9 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.629 1.802 25855 3882 1 9 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.291 -1.229 25855 3883 1 9 . 1 1 121 121 GLY H H 121 7.924 7.924 7.219 0.705 25855 3884 1 9 . 1 1 125 125 LYS HA H 125 4.147 4.147 3.926 0.221 25855 3885 1 9 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.635 0.284 25855 3886 1 9 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.326 0.162 25855 3887 1 9 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.733 -1.359 25855 3888 1 9 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.544 -0.176 25855 3889 1 9 . 1 1 128 128 ASN H H 128 8.050 8.050 7.988 0.062 25855 3890 1 9 . 1 1 129 129 GLU H H 129 8.138 8.138 7.885 0.253 25855 3891 1 9 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.143 -0.083 25855 3892 1 9 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.946 0.142 25855 3893 1 9 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.078 0.216 25855 3894 1 9 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.876 0.219 25855 3895 1 9 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.524 0.756 25855 3896 1 9 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.395 -0.124 25855 3897 1 9 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.256 -0.105 25855 3898 1 9 . 1 1 134 134 THR HA H 134 4.324 4.324 4.441 -0.117 25855 3899 1 9 . 1 1 134 134 THR CA C 134 61.752 61.752 61.812 -0.060 25855 3900 1 9 . 1 1 134 134 THR CB C 134 70.047 70.047 70.775 -0.728 25855 3901 1 9 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.875 0.232 25855 3902 1 9 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.391 1.389 25855 3903 1 9 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.782 1.392 25855 3904 1 9 . 1 1 135 135 ALA H H 135 8.013 8.013 7.493 0.520 25855 3905 1 9 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.353 0.186 25855 3906 1 9 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.905 0.218 25855 3907 1 9 . 1 1 136 136 ALA CB C 136 19.768 19.768 19.067 0.702 25855 3908 1 9 . 1 1 136 136 ALA H H 136 8.011 8.011 7.548 0.463 25855 3909 1 9 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.510 -0.079 25855 3910 1 9 . 1 1 137 137 GLU CB C 137 36.243 36.243 32.063 4.180 25855 3911 1 9 . 1 1 137 137 GLU H H 137 8.439 8.439 8.441 -0.002 25855 3912 1 9 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.796 0.086 25855 3913 1 9 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.307 -0.087 25855 3914 1 9 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.664 0.921 25855 3915 1 9 . 1 1 138 138 VAL H H 138 8.280 8.280 8.568 -0.288 25855 3916 1 9 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.335 -0.114 25855 3917 1 9 . 1 1 139 139 VAL CA C 139 60.689 60.689 61.146 -0.457 25855 3918 1 9 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.379 2.864 25855 3919 1 9 . 1 1 139 139 VAL H H 139 9.055 9.055 9.083 -0.028 25855 3920 1 9 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.449 0.173 25855 3921 1 9 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.113 0.450 25855 3922 1 9 . 1 1 140 140 VAL CB C 140 31.991 31.991 31.750 0.241 25855 3923 1 9 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.289 -0.060 25855 3924 1 9 . 1 1 141 141 PRO CA C 141 63.346 63.346 63.300 0.046 25855 3925 1 9 . 1 1 141 141 PRO CB C 141 31.460 31.460 31.788 -0.328 25855 3926 1 9 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.028 0.206 25855 3927 1 9 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.190 -0.753 25855 3928 1 9 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.864 0.064 25855 3929 1 9 . 1 1 142 142 ARG H H 142 8.499 8.499 8.244 0.255 25855 3930 1 9 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.404 0.006 25855 3931 1 9 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.201 -0.889 25855 3932 1 9 . 1 1 143 143 ASP CB C 143 39.431 39.431 39.737 -0.306 25855 3933 1 9 . 1 1 143 143 ASP H H 143 8.691 8.691 8.578 0.113 25855 3934 1 9 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.395 -0.030 25855 3935 1 9 . 1 1 144 144 GLN CA C 144 55.056 55.056 55.761 -0.705 25855 3936 1 9 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.749 1.320 25855 3937 1 9 . 1 1 144 144 GLN H H 144 7.898 7.898 8.385 -0.487 25855 3938 1 9 . 1 1 145 145 THR HA H 145 4.619 4.619 4.686 -0.067 25855 3939 1 9 . 1 1 145 145 THR CA C 145 59.626 59.626 59.133 0.493 25855 3940 1 9 . 1 1 145 145 THR CB C 145 70.255 70.255 68.734 1.522 25855 3941 1 9 . 1 1 145 145 THR H H 145 8.695 8.695 8.082 0.613 25855 3942 1 9 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.459 -0.119 25855 3943 1 9 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.647 0.168 25855 3944 1 9 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.622 -0.073 25855 3945 1 9 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.840 -1.123 25855 3946 1 9 . 1 1 147 147 ASP CB C 147 41.026 41.026 41.859 -0.833 25855 3947 1 9 . 1 1 147 147 ASP H H 147 8.506 8.506 8.154 0.352 25855 3948 1 9 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.009 0.161 25855 3949 1 9 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.099 -0.536 25855 3950 1 9 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.376 -1.105 25855 3951 1 9 . 1 1 148 148 GLU H H 148 9.159 9.159 8.701 0.458 25855 3952 1 9 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.627 0.309 25855 3953 1 9 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.882 -0.165 25855 3954 1 9 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.210 1.221 25855 3955 1 9 . 1 1 149 149 ASN H H 149 8.364 8.364 7.990 0.374 25855 3956 1 9 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.955 -0.184 25855 3957 1 9 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.644 -0.144 25855 3958 1 9 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.524 0.326 25855 3959 1 9 . 1 1 150 150 GLU H H 150 8.542 8.542 7.896 0.646 25855 3960 1 9 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.437 -0.416 25855 3961 1 9 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.093 0.750 25855 3962 1 9 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.141 -1.072 25855 3963 1 9 . 1 1 151 151 GLN H H 151 8.441 8.441 7.797 0.644 25855 3964 1 9 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.578 0.004 25855 3965 1 9 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.435 -0.872 25855 3966 1 9 . 1 1 152 152 VAL CB C 152 34.117 34.117 34.675 -0.558 25855 3967 1 9 . 1 1 152 152 VAL H H 152 8.999 8.999 8.292 0.707 25855 3968 1 9 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.139 -0.511 25855 3969 1 9 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.399 1.821 25855 3970 1 9 . 1 1 153 153 ILE CB C 153 40.494 40.494 37.734 2.760 25855 3971 1 9 . 1 1 153 153 ILE H H 153 8.972 8.972 8.102 0.870 25855 3972 1 9 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.762 -0.528 25855 3973 1 9 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.083 1.669 25855 3974 1 9 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.416 -1.831 25855 3975 1 9 . 1 1 154 154 VAL H H 154 8.557 8.557 8.260 0.297 25855 3976 1 9 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.463 -0.309 25855 3977 1 9 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.537 0.306 25855 3978 1 9 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.477 -0.829 25855 3979 1 9 . 1 1 155 155 LYS H H 155 8.951 8.951 8.884 0.067 25855 3980 1 9 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.342 -0.307 25855 3981 1 9 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.877 0.280 25855 3982 1 9 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.718 1.839 25855 3983 1 9 . 1 1 156 156 ILE H H 156 9.538 9.538 8.502 1.036 25855 3984 1 9 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.557 -0.456 25855 3985 1 9 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.324 2.365 25855 3986 1 9 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.149 3.345 25855 3987 1 9 . 1 1 157 157 ILE H H 157 9.468 9.468 8.790 0.678 25855 3988 1 9 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.295 0.513 25855 3989 1 9 . 1 1 158 158 GLY H H 158 8.236 8.236 8.085 0.151 25855 3990 1 9 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.437 0.108 25855 3991 1 9 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.427 1.948 25855 3992 1 9 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.056 -0.596 25855 3993 1 9 . 1 1 159 159 HIS H H 159 7.986 7.986 8.275 -0.289 25855 3994 1 9 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.968 -0.782 25855 3995 1 9 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.093 1.190 25855 3996 1 9 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.434 -0.066 25855 3997 1 9 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.004 -0.564 25855 3998 1 9 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.721 0.562 25855 3999 1 9 . 1 1 161 161 TYR CB C 161 37.837 37.837 38.298 -0.461 25855 4000 1 9 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.811 0.241 25855 4001 1 9 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.823 0.020 25855 4002 1 9 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.696 1.009 25855 4003 1 9 . 1 1 162 162 ALA H H 162 7.458 7.458 8.028 -0.570 25855 4004 1 9 . 1 1 163 163 SER HA H 163 3.832 3.832 3.888 -0.056 25855 4005 1 9 . 1 1 163 163 SER CA C 163 60.050 60.050 61.786 -1.736 25855 4006 1 9 . 1 1 163 163 SER CB C 163 63.346 63.346 62.823 0.523 25855 4007 1 9 . 1 1 163 163 SER H H 163 8.403 8.403 8.167 0.236 25855 4008 1 9 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.255 -0.645 25855 4009 1 9 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.496 0.067 25855 4010 1 9 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.679 -22.085 25855 4011 1 9 . 1 1 165 165 MET HA H 165 4.048 4.048 3.970 0.078 25855 4012 1 9 . 1 1 165 165 MET CA C 165 58.563 58.563 57.259 1.304 25855 4013 1 9 . 1 1 165 165 MET CB C 165 31.991 31.991 31.856 0.135 25855 4014 1 9 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.859 0.059 25855 4015 1 9 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.175 -0.099 25855 4016 1 9 . 1 1 166 166 ALA H H 166 8.208 8.208 8.608 -0.400 25855 4017 1 9 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.928 -0.300 25855 4018 1 9 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.122 1.035 25855 4019 1 9 . 1 1 167 167 GLN H H 167 8.393 8.393 8.388 0.005 25855 4020 1 9 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.054 -0.164 25855 4021 1 9 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.789 -5.753 25855 4022 1 9 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.614 0.251 25855 4023 1 9 . 1 1 168 168 ARG H H 168 8.220 8.220 8.214 0.006 25855 4024 1 9 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.042 0.091 25855 4025 1 9 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.078 -0.514 25855 4026 1 9 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.145 -0.154 25855 4027 1 9 . 1 1 169 169 LYS H H 169 8.042 8.042 7.912 0.130 25855 4028 1 9 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.769 -0.239 25855 4029 1 9 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.859 0.613 25855 4030 1 9 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.437 -0.663 25855 4031 1 9 . 1 1 170 170 ILE H H 170 8.190 8.190 8.339 -0.149 25855 4032 1 9 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.953 -0.086 25855 4033 1 9 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.352 1.699 25855 4034 1 9 . 1 1 171 171 ARG CB C 171 29.334 29.334 28.749 0.585 25855 4035 1 9 . 1 1 171 171 ARG H H 171 7.984 7.984 8.632 -0.648 25855 4036 1 9 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.431 -0.002 25855 4037 1 9 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.388 0.112 25855 4038 1 9 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.925 -0.431 25855 4039 1 9 . 1 1 172 172 ASP H H 172 7.993 7.993 7.616 0.377 25855 4040 1 9 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.613 0.037 25855 4041 1 9 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.806 0.666 25855 4042 1 9 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.890 0.478 25855 4043 1 9 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.853 0.042 25855 4044 1 9 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.150 -0.650 25855 4045 1 9 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.284 -0.258 25855 4046 1 9 . 1 1 174 174 LEU H H 174 8.270 8.270 8.455 -0.185 25855 4047 1 9 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.864 0.280 25855 4048 1 9 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.121 -1.065 25855 4049 1 9 . 1 1 175 175 ALA CB C 175 18.705 18.705 17.937 0.768 25855 4050 1 9 . 1 1 175 175 ALA H H 175 7.960 7.960 7.906 0.054 25855 4051 1 9 . 1 1 176 176 GLN HA H 176 4.093 4.093 3.926 0.167 25855 4052 1 9 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.948 -0.894 25855 4053 1 9 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.583 0.487 25855 4054 1 9 . 1 1 176 176 GLN H H 176 7.696 7.696 7.644 0.052 25855 4055 1 9 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.805 0.020 25855 4056 1 9 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.287 -1.236 25855 4057 1 9 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.631 1.438 25855 4058 1 9 . 1 1 177 177 VAL H H 177 7.850 7.850 7.634 0.216 25855 4059 1 9 . 1 1 179 179 GLN H H 179 7.862 7.862 8.183 -0.321 25855 4060 1 10 . 1 1 22 22 GLN H H 22 8.152 8.152 7.523 0.629 25855 4061 1 10 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.224 0.352 25855 4062 1 10 . 1 1 23 23 GLU CA C 23 55.105 55.105 57.089 -1.984 25855 4063 1 10 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.266 2.165 25855 4064 1 10 . 1 1 23 23 GLU H H 23 7.926 7.926 8.626 -0.700 25855 4065 1 10 . 1 1 24 24 THR HA H 24 5.298 5.298 5.496 -0.198 25855 4066 1 10 . 1 1 24 24 THR CA C 24 62.286 62.286 61.096 1.190 25855 4067 1 10 . 1 1 24 24 THR CB C 24 70.759 70.759 71.022 -0.263 25855 4068 1 10 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.890 -0.455 25855 4069 1 10 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.125 1.496 25855 4070 1 10 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.502 0.521 25855 4071 1 10 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.825 -0.286 25855 4072 1 10 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.868 -1.726 25855 4073 1 10 . 1 1 27 27 VAL HA H 27 4.717 4.717 5.205 -0.488 25855 4074 1 10 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.166 1.469 25855 4075 1 10 . 1 1 27 27 VAL CB C 27 35.238 35.238 34.754 0.484 25855 4076 1 10 . 1 1 27 27 VAL H H 27 9.339 9.339 8.276 1.063 25855 4077 1 10 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.138 -0.227 25855 4078 1 10 . 1 1 28 28 PHE CA C 28 57.725 57.725 54.979 2.746 25855 4079 1 10 . 1 1 28 28 PHE CB C 28 38.909 38.909 38.513 0.396 25855 4080 1 10 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.878 0.008 25855 4081 1 10 . 1 1 29 29 ILE CA C 29 57.114 57.114 58.011 -0.897 25855 4082 1 10 . 1 1 29 29 ILE CB C 29 38.915 38.915 38.928 -0.013 25855 4083 1 10 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.671 -0.163 25855 4084 1 10 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.374 -0.465 25855 4085 1 10 . 1 1 30 30 PRO CB C 30 31.841 31.841 30.822 1.019 25855 4086 1 10 . 1 1 31 31 ALA HA H 31 3.593 3.593 4.136 -0.543 25855 4087 1 10 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.444 1.052 25855 4088 1 10 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.863 -0.792 25855 4089 1 10 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.258 -0.075 25855 4090 1 10 . 1 1 32 32 GLN CA C 32 57.341 57.341 56.045 1.296 25855 4091 1 10 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.344 -0.477 25855 4092 1 10 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.566 -0.608 25855 4093 1 10 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.321 -0.905 25855 4094 1 10 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.866 -0.781 25855 4095 1 10 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.865 -0.979 25855 4096 1 10 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.735 1.607 25855 4097 1 10 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.689 0.832 25855 4098 1 10 . 1 1 35 35 GLY CA C 35 46.899 46.899 46.926 -0.027 25855 4099 1 10 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.192 -1.199 25855 4100 1 10 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.379 -1.141 25855 4101 1 10 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.070 -0.823 25855 4102 1 10 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.848 -0.397 25855 4103 1 10 . 1 1 37 37 ILE CA C 37 60.517 60.517 64.273 -3.756 25855 4104 1 10 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.377 -2.067 25855 4105 1 10 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.025 -0.136 25855 4106 1 10 . 1 1 38 38 ILE CA C 38 64.581 64.581 61.519 3.062 25855 4107 1 10 . 1 1 38 38 ILE CB C 38 38.840 38.840 37.032 1.808 25855 4108 1 10 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.874 0.278 25855 4109 1 10 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.071 0.509 25855 4110 1 10 . 1 1 40 40 LYS CA C 40 58.370 58.370 59.070 -0.700 25855 4111 1 10 . 1 1 41 41 LYS CB C 41 32.800 32.800 33.635 -0.834 25855 4112 1 10 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.376 -0.034 25855 4113 1 10 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.240 -2.007 25855 4114 1 10 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.887 0.001 25855 4115 1 10 . 1 1 45 45 ILE CA C 45 64.638 64.638 62.961 1.677 25855 4116 1 10 . 1 1 45 45 ILE CB C 45 37.250 37.250 38.075 -0.825 25855 4117 1 10 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.159 -0.022 25855 4118 1 10 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.604 0.999 25855 4119 1 10 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.410 0.060 25855 4120 1 10 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.075 -0.041 25855 4121 1 10 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.110 -0.068 25855 4122 1 10 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.910 0.175 25855 4123 1 10 . 1 1 48 48 LEU CB C 48 42.371 42.371 40.929 1.442 25855 4124 1 10 . 1 1 49 49 SER HA H 49 4.183 4.183 4.176 0.008 25855 4125 1 10 . 1 1 49 49 SER CA C 49 61.932 61.932 61.867 0.065 25855 4126 1 10 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.211 -0.052 25855 4127 1 10 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.071 0.360 25855 4128 1 10 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.586 0.566 25855 4129 1 10 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.217 0.105 25855 4130 1 10 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.532 -0.713 25855 4131 1 10 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.464 0.062 25855 4132 1 10 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.544 -0.781 25855 4133 1 10 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.278 1.100 25855 4134 1 10 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.712 -0.334 25855 4135 1 10 . 1 1 52 52 ALA H H 52 8.465 8.465 7.918 0.547 25855 4136 1 10 . 1 1 53 53 SER CB C 53 61.826 61.826 61.002 0.824 25855 4137 1 10 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.813 0.119 25855 4138 1 10 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.962 -1.829 25855 4139 1 10 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.695 0.703 25855 4140 1 10 . 1 1 55 55 SER HA H 55 4.766 4.766 5.077 -0.311 25855 4141 1 10 . 1 1 55 55 SER CB C 55 63.541 63.541 64.391 -0.850 25855 4142 1 10 . 1 1 56 56 ILE HA H 56 4.992 4.992 5.510 -0.518 25855 4143 1 10 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.239 0.952 25855 4144 1 10 . 1 1 56 56 ILE CB C 56 40.511 40.511 40.539 -0.028 25855 4145 1 10 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.702 0.052 25855 4146 1 10 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.521 0.134 25855 4147 1 10 . 1 1 57 57 LYS CB C 57 36.326 36.326 34.063 2.263 25855 4148 1 10 . 1 1 57 57 LYS H H 57 8.732 8.732 8.495 0.237 25855 4149 1 10 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.213 0.498 25855 4150 1 10 . 1 1 58 58 ILE CA C 58 60.597 60.597 60.380 0.217 25855 4151 1 10 . 1 1 58 58 ILE CB C 58 37.464 37.464 39.018 -1.554 25855 4152 1 10 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.450 0.058 25855 4153 1 10 . 1 1 59 59 ALA CA C 59 51.688 51.688 50.611 1.077 25855 4154 1 10 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.071 0.288 25855 4155 1 10 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.041 -0.002 25855 4156 1 10 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.165 0.793 25855 4157 1 10 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.562 0.868 25855 4158 1 10 . 1 1 63 63 THR HA H 63 4.786 4.786 4.734 0.052 25855 4159 1 10 . 1 1 63 63 THR CA C 63 58.498 58.498 58.479 0.019 25855 4160 1 10 . 1 1 63 63 THR CB C 63 69.943 69.943 71.085 -1.142 25855 4161 1 10 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.372 -0.083 25855 4162 1 10 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.142 0.591 25855 4163 1 10 . 1 1 64 64 PRO CB C 64 31.673 31.673 32.040 -0.367 25855 4164 1 10 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.681 -0.041 25855 4165 1 10 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.450 -0.591 25855 4166 1 10 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.864 -0.404 25855 4167 1 10 . 1 1 65 65 ASP H H 65 7.985 7.985 8.058 -0.073 25855 4168 1 10 . 1 1 66 66 SER CB C 66 63.942 63.942 63.959 -0.017 25855 4169 1 10 . 1 1 66 66 SER H H 66 7.515 7.515 7.441 0.074 25855 4170 1 10 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.378 -0.035 25855 4171 1 10 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.366 -0.124 25855 4172 1 10 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.977 -0.174 25855 4173 1 10 . 1 1 68 68 VAL HA H 68 5.193 5.193 5.155 0.038 25855 4174 1 10 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.367 -0.395 25855 4175 1 10 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.134 1.082 25855 4176 1 10 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.625 0.067 25855 4177 1 10 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.066 -1.793 25855 4178 1 10 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.350 -0.589 25855 4179 1 10 . 1 1 70 70 MET HA H 70 3.798 3.798 5.349 -1.551 25855 4180 1 10 . 1 1 70 70 MET CA C 70 55.444 55.444 54.886 0.557 25855 4181 1 10 . 1 1 70 70 MET CB C 70 36.034 36.034 33.757 2.277 25855 4182 1 10 . 1 1 71 71 VAL HA H 71 4.312 4.312 5.311 -0.999 25855 4183 1 10 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.539 1.358 25855 4184 1 10 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.830 -0.168 25855 4185 1 10 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.831 -0.065 25855 4186 1 10 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.862 -1.398 25855 4187 1 10 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.705 0.228 25855 4188 1 10 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.710 2.080 25855 4189 1 10 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.510 3.591 25855 4190 1 10 . 1 1 73 73 ILE H H 73 8.981 8.981 9.322 -0.341 25855 4191 1 10 . 1 1 74 74 THR HA H 74 5.630 5.630 5.098 0.532 25855 4192 1 10 . 1 1 74 74 THR CA C 74 60.813 60.813 61.739 -0.926 25855 4193 1 10 . 1 1 74 74 THR CB C 74 70.966 70.966 70.033 0.933 25855 4194 1 10 . 1 1 74 74 THR H H 74 9.227 9.227 9.020 0.207 25855 4195 1 10 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.782 -0.750 25855 4196 1 10 . 1 1 76 76 PRO HA H 76 5.169 5.169 5.020 0.149 25855 4197 1 10 . 1 1 76 76 PRO CA C 76 62.448 62.448 60.433 2.015 25855 4198 1 10 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.189 -0.623 25855 4199 1 10 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.190 -0.230 25855 4200 1 10 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.594 1.492 25855 4201 1 10 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.215 -0.080 25855 4202 1 10 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.385 0.514 25855 4203 1 10 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.279 0.751 25855 4204 1 10 . 1 1 78 78 GLU H H 78 9.555 9.555 8.982 0.573 25855 4205 1 10 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.442 -0.073 25855 4206 1 10 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.233 0.040 25855 4207 1 10 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.400 1.729 25855 4208 1 10 . 1 1 79 79 ALA H H 79 7.018 7.018 7.782 -0.764 25855 4209 1 10 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.091 -0.309 25855 4210 1 10 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.476 -0.335 25855 4211 1 10 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.197 -0.093 25855 4212 1 10 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.444 -0.035 25855 4213 1 10 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.016 0.514 25855 4214 1 10 . 1 1 81 81 PHE H H 81 8.005 8.005 7.918 0.087 25855 4215 1 10 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.758 0.239 25855 4216 1 10 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.754 0.257 25855 4217 1 10 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.033 -0.096 25855 4218 1 10 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.320 -0.081 25855 4219 1 10 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.350 0.677 25855 4220 1 10 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.640 0.786 25855 4221 1 10 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.115 0.040 25855 4222 1 10 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.380 -1.327 25855 4223 1 10 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.984 0.189 25855 4224 1 10 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.525 -0.041 25855 4225 1 10 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.669 0.033 25855 4226 1 10 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.666 -0.284 25855 4227 1 10 . 1 1 87 87 ILE H H 87 7.681 7.681 8.026 -0.345 25855 4228 1 10 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.038 -0.240 25855 4229 1 10 . 1 1 88 88 TYR CA C 88 62.987 62.987 62.202 0.785 25855 4230 1 10 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.617 0.487 25855 4231 1 10 . 1 1 88 88 TYR H H 88 8.021 8.021 8.693 -0.672 25855 4232 1 10 . 1 1 89 89 GLY H H 89 8.005 8.005 8.175 -0.170 25855 4233 1 10 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.064 0.113 25855 4234 1 10 . 1 1 90 90 LYS CA C 90 57.418 57.418 57.860 -0.442 25855 4235 1 10 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.151 -0.761 25855 4236 1 10 . 1 1 91 91 LEU HA H 91 4.138 4.138 3.259 0.879 25855 4237 1 10 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.634 0.171 25855 4238 1 10 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.067 -0.334 25855 4239 1 10 . 1 1 91 91 LEU H H 91 7.545 7.545 7.699 -0.154 25855 4240 1 10 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.042 0.274 25855 4241 1 10 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.236 -0.471 25855 4242 1 10 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.209 -0.075 25855 4243 1 10 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.150 -0.065 25855 4244 1 10 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.214 0.724 25855 4245 1 10 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.303 -0.044 25855 4246 1 10 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.305 0.089 25855 4247 1 10 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.904 -0.369 25855 4248 1 10 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.215 0.293 25855 4249 1 10 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.881 1.618 25855 4250 1 10 . 1 1 95 95 ASN CB C 95 37.054 37.054 37.108 -0.054 25855 4251 1 10 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.324 -0.167 25855 4252 1 10 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.684 0.946 25855 4253 1 10 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.569 -1.097 25855 4254 1 10 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.904 -0.353 25855 4255 1 10 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.674 0.418 25855 4256 1 10 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.791 1.281 25855 4257 1 10 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.208 -1.462 25855 4258 1 10 . 1 1 98 98 GLY H H 98 8.539 8.539 8.812 -0.273 25855 4259 1 10 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.295 0.083 25855 4260 1 10 . 1 1 99 99 PRO CA C 99 64.940 64.940 65.143 -0.203 25855 4261 1 10 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.568 0.423 25855 4262 1 10 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.423 -0.064 25855 4263 1 10 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.672 0.234 25855 4264 1 10 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.695 -0.704 25855 4265 1 10 . 1 1 100 100 LYS H H 100 8.622 8.622 7.963 0.659 25855 4266 1 10 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.248 0.140 25855 4267 1 10 . 1 1 101 101 GLU CA C 101 55.906 55.906 57.263 -1.357 25855 4268 1 10 . 1 1 101 101 GLU CB C 101 32.523 32.523 29.103 3.420 25855 4269 1 10 . 1 1 101 101 GLU H H 101 7.569 7.569 7.787 -0.218 25855 4270 1 10 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.367 -0.071 25855 4271 1 10 . 1 1 102 102 GLU CA C 102 55.375 55.375 54.420 0.955 25855 4272 1 10 . 1 1 102 102 GLU CB C 102 30.397 30.397 31.574 -1.177 25855 4273 1 10 . 1 1 102 102 GLU H H 102 8.440 8.440 8.055 0.385 25855 4274 1 10 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.865 -1.097 25855 4275 1 10 . 1 1 103 103 VAL CA C 103 63.346 63.346 61.332 2.014 25855 4276 1 10 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.396 -0.405 25855 4277 1 10 . 1 1 103 103 VAL H H 103 8.552 8.552 8.026 0.526 25855 4278 1 10 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.560 0.054 25855 4279 1 10 . 1 1 104 104 LYS CA C 104 55.375 55.375 55.132 0.243 25855 4280 1 10 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.107 3.073 25855 4281 1 10 . 1 1 104 104 LYS H H 104 6.924 6.924 8.501 -1.577 25855 4282 1 10 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.740 0.171 25855 4283 1 10 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.266 -0.549 25855 4284 1 10 . 1 1 105 105 LEU CB C 105 45.277 45.277 46.448 -1.171 25855 4285 1 10 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.545 0.363 25855 4286 1 10 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.755 2.300 25855 4287 1 10 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.995 1.075 25855 4288 1 10 . 1 1 106 106 GLU H H 106 8.982 8.982 8.664 0.318 25855 4289 1 10 . 1 1 107 107 THR HA H 107 5.524 5.524 4.503 1.021 25855 4290 1 10 . 1 1 107 107 THR CA C 107 61.220 61.220 61.885 -0.665 25855 4291 1 10 . 1 1 107 107 THR CB C 107 71.849 71.849 69.217 2.632 25855 4292 1 10 . 1 1 107 107 THR H H 107 9.357 9.357 8.160 1.197 25855 4293 1 10 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.130 0.931 25855 4294 1 10 . 1 1 108 108 HIS CA C 108 53.249 53.249 55.914 -2.665 25855 4295 1 10 . 1 1 108 108 HIS CB C 108 35.180 35.180 30.788 4.392 25855 4296 1 10 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.710 -0.070 25855 4297 1 10 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.545 0.550 25855 4298 1 10 . 1 1 109 109 ILE CB C 109 41.026 41.026 42.479 -1.453 25855 4299 1 10 . 1 1 109 109 ILE H H 109 8.818 8.818 9.046 -0.228 25855 4300 1 10 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.513 -0.279 25855 4301 1 10 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.136 0.707 25855 4302 1 10 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.987 2.004 25855 4303 1 10 . 1 1 110 110 ARG H H 110 8.568 8.568 8.653 -0.085 25855 4304 1 10 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.692 0.182 25855 4305 1 10 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.506 -0.537 25855 4306 1 10 . 1 1 111 111 VAL CB C 111 33.585 33.585 33.359 0.226 25855 4307 1 10 . 1 1 111 111 VAL H H 111 8.935 8.935 8.279 0.656 25855 4308 1 10 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.395 0.104 25855 4309 1 10 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.272 0.074 25855 4310 1 10 . 1 1 112 112 PRO CB C 112 31.991 31.991 30.461 1.530 25855 4311 1 10 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.041 -0.131 25855 4312 1 10 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.834 1.071 25855 4313 1 10 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.463 -0.289 25855 4314 1 10 . 1 1 113 113 ALA H H 113 9.220 9.220 9.193 0.027 25855 4315 1 10 . 1 1 114 114 SER HA H 114 4.210 4.210 4.110 0.100 25855 4316 1 10 . 1 1 114 114 SER CA C 114 60.157 60.157 60.249 -0.092 25855 4317 1 10 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.631 -0.146 25855 4318 1 10 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.310 0.875 25855 4319 1 10 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.239 1.060 25855 4320 1 10 . 1 1 115 115 ALA H H 115 7.752 7.752 7.802 -0.050 25855 4321 1 10 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.009 -0.422 25855 4322 1 10 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.527 -0.152 25855 4323 1 10 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.592 -0.418 25855 4324 1 10 . 1 1 116 116 ALA H H 116 7.429 7.429 7.725 -0.296 25855 4325 1 10 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.621 0.719 25855 4326 1 10 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.756 -0.579 25855 4327 1 10 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.539 -0.142 25855 4328 1 10 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.889 -0.237 25855 4329 1 10 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.610 0.330 25855 4330 1 10 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.729 0.262 25855 4331 1 10 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.976 -0.149 25855 4332 1 10 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.662 1.769 25855 4333 1 10 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.034 -1.972 25855 4334 1 10 . 1 1 121 121 GLY H H 121 7.924 7.924 7.738 0.186 25855 4335 1 10 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.028 0.119 25855 4336 1 10 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.581 0.338 25855 4337 1 10 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.414 0.074 25855 4338 1 10 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.807 -1.432 25855 4339 1 10 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.742 -0.374 25855 4340 1 10 . 1 1 128 128 ASN H H 128 8.050 8.050 8.137 -0.087 25855 4341 1 10 . 1 1 129 129 GLU H H 129 8.138 8.138 8.180 -0.042 25855 4342 1 10 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.203 -0.143 25855 4343 1 10 . 1 1 130 130 LEU CB C 130 42.088 42.088 42.226 -0.138 25855 4344 1 10 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.200 0.094 25855 4345 1 10 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.550 0.545 25855 4346 1 10 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.240 1.041 25855 4347 1 10 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.450 -0.179 25855 4348 1 10 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.145 0.006 25855 4349 1 10 . 1 1 134 134 THR HA H 134 4.324 4.324 4.501 -0.177 25855 4350 1 10 . 1 1 134 134 THR CA C 134 61.752 61.752 62.146 -0.394 25855 4351 1 10 . 1 1 134 134 THR CB C 134 70.047 70.047 70.220 -0.173 25855 4352 1 10 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.158 -0.051 25855 4353 1 10 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.544 1.236 25855 4354 1 10 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.194 0.980 25855 4355 1 10 . 1 1 135 135 ALA H H 135 8.013 8.013 7.588 0.425 25855 4356 1 10 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.393 0.146 25855 4357 1 10 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.504 0.619 25855 4358 1 10 . 1 1 136 136 ALA CB C 136 19.768 19.768 19.437 0.331 25855 4359 1 10 . 1 1 136 136 ALA H H 136 8.011 8.011 7.744 0.267 25855 4360 1 10 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.425 0.006 25855 4361 1 10 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.860 5.383 25855 4362 1 10 . 1 1 137 137 GLU H H 137 8.439 8.439 8.072 0.367 25855 4363 1 10 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.662 0.220 25855 4364 1 10 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.453 -0.233 25855 4365 1 10 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.100 1.485 25855 4366 1 10 . 1 1 138 138 VAL H H 138 8.280 8.280 8.412 -0.132 25855 4367 1 10 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.457 -0.236 25855 4368 1 10 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.267 0.422 25855 4369 1 10 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.862 2.381 25855 4370 1 10 . 1 1 139 139 VAL H H 139 9.055 9.055 9.146 -0.091 25855 4371 1 10 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.724 -0.102 25855 4372 1 10 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.162 0.401 25855 4373 1 10 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.196 -0.204 25855 4374 1 10 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.535 -0.306 25855 4375 1 10 . 1 1 141 141 PRO CA C 141 63.346 63.346 63.044 0.302 25855 4376 1 10 . 1 1 141 141 PRO CB C 141 31.460 31.460 31.875 -0.415 25855 4377 1 10 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.015 0.219 25855 4378 1 10 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.877 -0.440 25855 4379 1 10 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.461 1.467 25855 4380 1 10 . 1 1 142 142 ARG H H 142 8.499 8.499 7.816 0.683 25855 4381 1 10 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.382 0.028 25855 4382 1 10 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.941 -0.629 25855 4383 1 10 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.192 -0.761 25855 4384 1 10 . 1 1 143 143 ASP H H 143 8.691 8.691 8.362 0.329 25855 4385 1 10 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.067 0.298 25855 4386 1 10 . 1 1 144 144 GLN CA C 144 55.056 55.056 57.422 -2.366 25855 4387 1 10 . 1 1 144 144 GLN CB C 144 31.069 31.069 28.701 2.368 25855 4388 1 10 . 1 1 144 144 GLN H H 144 7.898 7.898 8.557 -0.659 25855 4389 1 10 . 1 1 145 145 THR HA H 145 4.619 4.619 4.697 -0.078 25855 4390 1 10 . 1 1 145 145 THR CA C 145 59.626 59.626 58.532 1.094 25855 4391 1 10 . 1 1 145 145 THR CB C 145 70.255 70.255 69.117 1.138 25855 4392 1 10 . 1 1 145 145 THR H H 145 8.695 8.695 7.982 0.713 25855 4393 1 10 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.363 -0.023 25855 4394 1 10 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.767 0.047 25855 4395 1 10 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.560 -0.011 25855 4396 1 10 . 1 1 147 147 ASP CA C 147 52.717 52.717 54.558 -1.841 25855 4397 1 10 . 1 1 147 147 ASP CB C 147 41.026 41.026 41.840 -0.814 25855 4398 1 10 . 1 1 147 147 ASP H H 147 8.506 8.506 8.259 0.247 25855 4399 1 10 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.015 0.155 25855 4400 1 10 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.178 -0.615 25855 4401 1 10 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.373 -1.102 25855 4402 1 10 . 1 1 148 148 GLU H H 148 9.159 9.159 8.814 0.345 25855 4403 1 10 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.914 0.022 25855 4404 1 10 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.504 0.213 25855 4405 1 10 . 1 1 149 149 ASN CB C 149 39.431 39.431 37.892 1.539 25855 4406 1 10 . 1 1 149 149 ASN H H 149 8.364 8.364 7.979 0.385 25855 4407 1 10 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.851 -0.080 25855 4408 1 10 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.844 -0.344 25855 4409 1 10 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.612 0.238 25855 4410 1 10 . 1 1 150 150 GLU H H 150 8.542 8.542 8.043 0.499 25855 4411 1 10 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.431 -0.410 25855 4412 1 10 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.110 0.733 25855 4413 1 10 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.745 -1.676 25855 4414 1 10 . 1 1 151 151 GLN H H 151 8.441 8.441 7.734 0.707 25855 4415 1 10 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.617 -0.035 25855 4416 1 10 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.508 0.055 25855 4417 1 10 . 1 1 152 152 VAL CB C 152 34.117 34.117 34.876 -0.758 25855 4418 1 10 . 1 1 152 152 VAL H H 152 8.999 8.999 8.846 0.153 25855 4419 1 10 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.008 -0.380 25855 4420 1 10 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.419 1.801 25855 4421 1 10 . 1 1 153 153 ILE CB C 153 40.494 40.494 36.797 3.696 25855 4422 1 10 . 1 1 153 153 ILE H H 153 8.972 8.972 8.507 0.465 25855 4423 1 10 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.709 -0.475 25855 4424 1 10 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.683 1.069 25855 4425 1 10 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.480 -1.895 25855 4426 1 10 . 1 1 154 154 VAL H H 154 8.557 8.557 8.835 -0.278 25855 4427 1 10 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.675 -0.521 25855 4428 1 10 . 1 1 155 155 LYS CA C 155 54.843 54.843 53.505 1.338 25855 4429 1 10 . 1 1 155 155 LYS CB C 155 34.648 34.648 36.158 -1.510 25855 4430 1 10 . 1 1 155 155 LYS H H 155 8.951 8.951 9.092 -0.141 25855 4431 1 10 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.320 -0.285 25855 4432 1 10 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.563 0.594 25855 4433 1 10 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.634 1.923 25855 4434 1 10 . 1 1 156 156 ILE H H 156 9.538 9.538 8.556 0.982 25855 4435 1 10 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.563 -0.462 25855 4436 1 10 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.215 2.474 25855 4437 1 10 . 1 1 157 157 ILE CB C 157 40.494 40.494 36.863 3.631 25855 4438 1 10 . 1 1 157 157 ILE H H 157 9.468 9.468 8.839 0.629 25855 4439 1 10 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.466 0.343 25855 4440 1 10 . 1 1 158 158 GLY H H 158 8.236 8.236 8.059 0.177 25855 4441 1 10 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.882 0.663 25855 4442 1 10 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.681 0.695 25855 4443 1 10 . 1 1 159 159 HIS CB C 159 31.460 31.460 30.793 0.667 25855 4444 1 10 . 1 1 159 159 HIS H H 159 7.986 7.986 7.951 0.035 25855 4445 1 10 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.213 -0.027 25855 4446 1 10 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.944 1.339 25855 4447 1 10 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.211 1.157 25855 4448 1 10 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.508 -1.068 25855 4449 1 10 . 1 1 161 161 TYR CA C 161 62.283 62.283 59.886 2.397 25855 4450 1 10 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.679 0.158 25855 4451 1 10 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.699 0.353 25855 4452 1 10 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.436 0.407 25855 4453 1 10 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.471 1.234 25855 4454 1 10 . 1 1 162 162 ALA H H 162 7.458 7.458 7.338 0.120 25855 4455 1 10 . 1 1 163 163 SER HA H 163 3.832 3.832 3.902 -0.070 25855 4456 1 10 . 1 1 163 163 SER CA C 163 60.050 60.050 61.952 -1.902 25855 4457 1 10 . 1 1 163 163 SER CB C 163 63.346 63.346 63.037 0.309 25855 4458 1 10 . 1 1 163 163 SER H H 163 8.403 8.403 8.203 0.200 25855 4459 1 10 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.092 -0.482 25855 4460 1 10 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.288 0.275 25855 4461 1 10 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.401 -21.807 25855 4462 1 10 . 1 1 165 165 MET HA H 165 4.048 4.048 3.961 0.087 25855 4463 1 10 . 1 1 165 165 MET CA C 165 58.563 58.563 58.243 0.320 25855 4464 1 10 . 1 1 165 165 MET CB C 165 31.991 31.991 32.415 -0.424 25855 4465 1 10 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.807 0.111 25855 4466 1 10 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.142 -0.066 25855 4467 1 10 . 1 1 166 166 ALA H H 166 8.208 8.208 8.313 -0.105 25855 4468 1 10 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.869 -0.241 25855 4469 1 10 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.337 0.820 25855 4470 1 10 . 1 1 167 167 GLN H H 167 8.393 8.393 8.432 -0.039 25855 4471 1 10 . 1 1 168 168 ARG HA H 168 3.890 3.890 3.950 -0.060 25855 4472 1 10 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.495 -6.458 25855 4473 1 10 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.002 -0.137 25855 4474 1 10 . 1 1 168 168 ARG H H 168 8.220 8.220 7.660 0.560 25855 4475 1 10 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.066 0.067 25855 4476 1 10 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.635 -0.072 25855 4477 1 10 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.972 0.019 25855 4478 1 10 . 1 1 169 169 LYS H H 169 8.042 8.042 7.693 0.349 25855 4479 1 10 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.742 -0.212 25855 4480 1 10 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.951 0.521 25855 4481 1 10 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.375 -0.601 25855 4482 1 10 . 1 1 170 170 ILE H H 170 8.190 8.190 8.631 -0.441 25855 4483 1 10 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.980 -0.113 25855 4484 1 10 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.286 1.765 25855 4485 1 10 . 1 1 171 171 ARG CB C 171 29.334 29.334 28.934 0.400 25855 4486 1 10 . 1 1 171 171 ARG H H 171 7.984 7.984 8.107 -0.123 25855 4487 1 10 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.446 -0.017 25855 4488 1 10 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.221 0.279 25855 4489 1 10 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.675 -0.181 25855 4490 1 10 . 1 1 172 172 ASP H H 172 7.993 7.993 7.859 0.134 25855 4491 1 10 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.991 -0.341 25855 4492 1 10 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.017 0.455 25855 4493 1 10 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.934 0.434 25855 4494 1 10 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.829 0.066 25855 4495 1 10 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.187 -0.687 25855 4496 1 10 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.189 -0.163 25855 4497 1 10 . 1 1 174 174 LEU H H 174 8.270 8.270 8.306 -0.035 25855 4498 1 10 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.880 0.264 25855 4499 1 10 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.153 -1.097 25855 4500 1 10 . 1 1 175 175 ALA CB C 175 18.705 18.705 17.959 0.746 25855 4501 1 10 . 1 1 175 175 ALA H H 175 7.960 7.960 8.142 -0.182 25855 4502 1 10 . 1 1 176 176 GLN HA H 176 4.093 4.093 3.946 0.147 25855 4503 1 10 . 1 1 176 176 GLN CA C 176 58.054 58.054 59.218 -1.164 25855 4504 1 10 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.855 0.215 25855 4505 1 10 . 1 1 176 176 GLN H H 176 7.696 7.696 7.628 0.068 25855 4506 1 10 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.946 -0.121 25855 4507 1 10 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.162 -2.111 25855 4508 1 10 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.106 0.962 25855 4509 1 10 . 1 1 177 177 VAL H H 177 7.850 7.850 8.058 -0.208 25855 4510 1 10 . 1 1 179 179 GLN H H 179 7.862 7.862 8.052 -0.190 25855 4511 1 11 . 1 1 22 22 GLN H H 22 8.152 8.152 8.000 0.152 25855 4512 1 11 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.349 0.227 25855 4513 1 11 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.756 -0.651 25855 4514 1 11 . 1 1 23 23 GLU CB C 23 32.431 32.431 31.518 0.912 25855 4515 1 11 . 1 1 23 23 GLU H H 23 7.926 7.926 8.451 -0.525 25855 4516 1 11 . 1 1 24 24 THR HA H 24 5.298 5.298 5.101 0.197 25855 4517 1 11 . 1 1 24 24 THR CA C 24 62.286 62.286 61.346 0.939 25855 4518 1 11 . 1 1 24 24 THR CB C 24 70.759 70.759 69.790 0.969 25855 4519 1 11 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.781 -0.346 25855 4520 1 11 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.503 1.118 25855 4521 1 11 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.374 0.649 25855 4522 1 11 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.555 -0.016 25855 4523 1 11 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.733 -1.591 25855 4524 1 11 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.823 -0.106 25855 4525 1 11 . 1 1 27 27 VAL CA C 27 60.635 60.635 59.659 0.976 25855 4526 1 11 . 1 1 27 27 VAL CB C 27 35.238 35.238 35.401 -0.163 25855 4527 1 11 . 1 1 27 27 VAL H H 27 9.339 9.339 7.854 1.485 25855 4528 1 11 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.922 -1.011 25855 4529 1 11 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.133 1.592 25855 4530 1 11 . 1 1 28 28 PHE CB C 28 38.909 38.909 40.988 -2.079 25855 4531 1 11 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.976 -0.090 25855 4532 1 11 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.441 -0.327 25855 4533 1 11 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.158 -1.243 25855 4534 1 11 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.441 0.067 25855 4535 1 11 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.517 -0.608 25855 4536 1 11 . 1 1 30 30 PRO CB C 30 31.841 31.841 30.853 0.988 25855 4537 1 11 . 1 1 31 31 ALA HA H 31 3.593 3.593 4.099 -0.506 25855 4538 1 11 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.431 1.065 25855 4539 1 11 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.820 -0.749 25855 4540 1 11 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.267 -0.084 25855 4541 1 11 . 1 1 32 32 GLN CA C 32 57.341 57.341 56.559 0.781 25855 4542 1 11 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.538 -0.671 25855 4543 1 11 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.464 -0.506 25855 4544 1 11 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.780 -1.364 25855 4545 1 11 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.215 -0.131 25855 4546 1 11 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.837 -0.951 25855 4547 1 11 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.019 2.323 25855 4548 1 11 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.397 1.125 25855 4549 1 11 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.170 -0.271 25855 4550 1 11 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.181 -1.188 25855 4551 1 11 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.516 -1.278 25855 4552 1 11 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.076 -0.829 25855 4553 1 11 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.873 -0.421 25855 4554 1 11 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.881 -3.364 25855 4555 1 11 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.664 -2.354 25855 4556 1 11 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.065 -0.176 25855 4557 1 11 . 1 1 38 38 ILE CA C 38 64.581 64.581 60.931 3.650 25855 4558 1 11 . 1 1 38 38 ILE CB C 38 38.840 38.840 37.155 1.685 25855 4559 1 11 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.171 0.981 25855 4560 1 11 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.054 0.526 25855 4561 1 11 . 1 1 40 40 LYS CA C 40 58.370 58.370 56.888 1.482 25855 4562 1 11 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.177 0.623 25855 4563 1 11 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.215 0.127 25855 4564 1 11 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.855 -2.623 25855 4565 1 11 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.812 0.076 25855 4566 1 11 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.447 1.192 25855 4567 1 11 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.992 -0.742 25855 4568 1 11 . 1 1 46 46 LYS HA H 46 4.136 4.136 3.967 0.169 25855 4569 1 11 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.471 0.132 25855 4570 1 11 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.947 0.523 25855 4571 1 11 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.094 -0.060 25855 4572 1 11 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.175 -0.133 25855 4573 1 11 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.116 0.969 25855 4574 1 11 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.199 1.172 25855 4575 1 11 . 1 1 49 49 SER HA H 49 4.183 4.183 4.242 -0.059 25855 4576 1 11 . 1 1 49 49 SER CA C 49 61.932 61.932 61.830 0.102 25855 4577 1 11 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.203 -0.044 25855 4578 1 11 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.359 0.072 25855 4579 1 11 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.771 0.381 25855 4580 1 11 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.225 0.097 25855 4581 1 11 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.763 -0.944 25855 4582 1 11 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.434 0.090 25855 4583 1 11 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.517 -0.754 25855 4584 1 11 . 1 1 52 52 ALA CA C 52 52.378 52.378 50.722 1.656 25855 4585 1 11 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.684 0.694 25855 4586 1 11 . 1 1 52 52 ALA H H 52 8.465 8.465 8.131 0.334 25855 4587 1 11 . 1 1 53 53 SER CB C 53 61.826 61.826 61.468 0.358 25855 4588 1 11 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.938 -0.006 25855 4589 1 11 . 1 1 54 54 ALA CA C 54 49.133 49.133 51.002 -1.869 25855 4590 1 11 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.774 0.624 25855 4591 1 11 . 1 1 55 55 SER HA H 55 4.766 4.766 4.694 0.072 25855 4592 1 11 . 1 1 55 55 SER CB C 55 63.541 63.541 64.142 -0.601 25855 4593 1 11 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.025 0.967 25855 4594 1 11 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.373 -0.182 25855 4595 1 11 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.309 1.202 25855 4596 1 11 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.576 0.178 25855 4597 1 11 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.322 0.333 25855 4598 1 11 . 1 1 57 57 LYS CB C 57 36.326 36.326 33.346 2.980 25855 4599 1 11 . 1 1 57 57 LYS H H 57 8.732 8.732 8.481 0.251 25855 4600 1 11 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.160 0.551 25855 4601 1 11 . 1 1 58 58 ILE CA C 58 60.597 60.597 61.523 -0.926 25855 4602 1 11 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.315 -0.850 25855 4603 1 11 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.626 -0.118 25855 4604 1 11 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.508 2.180 25855 4605 1 11 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.496 -0.137 25855 4606 1 11 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.150 -0.111 25855 4607 1 11 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.221 0.737 25855 4608 1 11 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.262 0.168 25855 4609 1 11 . 1 1 63 63 THR HA H 63 4.786 4.786 4.741 0.045 25855 4610 1 11 . 1 1 63 63 THR CA C 63 58.498 58.498 58.894 -0.396 25855 4611 1 11 . 1 1 63 63 THR CB C 63 69.943 69.943 70.442 -0.499 25855 4612 1 11 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.455 -0.166 25855 4613 1 11 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.843 0.890 25855 4614 1 11 . 1 1 64 64 PRO CB C 64 31.673 31.673 32.069 -0.396 25855 4615 1 11 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.610 0.030 25855 4616 1 11 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.179 -1.320 25855 4617 1 11 . 1 1 65 65 ASP CB C 65 40.460 40.460 41.089 -0.629 25855 4618 1 11 . 1 1 65 65 ASP H H 65 7.985 7.985 8.233 -0.248 25855 4619 1 11 . 1 1 66 66 SER CB C 66 63.942 63.942 64.359 -0.417 25855 4620 1 11 . 1 1 66 66 SER H H 66 7.515 7.515 7.491 0.024 25855 4621 1 11 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.342 0.001 25855 4622 1 11 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.447 -0.205 25855 4623 1 11 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.956 -0.153 25855 4624 1 11 . 1 1 68 68 VAL HA H 68 5.193 5.193 5.207 -0.014 25855 4625 1 11 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.261 -0.290 25855 4626 1 11 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.028 1.188 25855 4627 1 11 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.821 -0.129 25855 4628 1 11 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.281 -2.008 25855 4629 1 11 . 1 1 69 69 ARG CB C 69 32.761 32.761 32.648 0.113 25855 4630 1 11 . 1 1 70 70 MET HA H 70 3.798 3.798 4.523 -0.725 25855 4631 1 11 . 1 1 70 70 MET CA C 70 55.444 55.444 54.268 1.176 25855 4632 1 11 . 1 1 70 70 MET CB C 70 36.034 36.034 33.239 2.795 25855 4633 1 11 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.436 -0.124 25855 4634 1 11 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.086 -0.188 25855 4635 1 11 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.409 0.253 25855 4636 1 11 . 1 1 72 72 VAL CA C 72 61.766 61.766 62.002 -0.235 25855 4637 1 11 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.895 -0.431 25855 4638 1 11 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.495 0.438 25855 4639 1 11 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.807 1.983 25855 4640 1 11 . 1 1 73 73 ILE CB C 73 40.101 40.101 37.242 2.859 25855 4641 1 11 . 1 1 73 73 ILE H H 73 8.981 8.981 9.146 -0.165 25855 4642 1 11 . 1 1 74 74 THR HA H 74 5.630 5.630 5.569 0.061 25855 4643 1 11 . 1 1 74 74 THR CA C 74 60.813 60.813 60.878 -0.065 25855 4644 1 11 . 1 1 74 74 THR CB C 74 70.966 70.966 70.870 0.096 25855 4645 1 11 . 1 1 74 74 THR H H 74 9.227 9.227 8.097 1.130 25855 4646 1 11 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.561 -0.529 25855 4647 1 11 . 1 1 76 76 PRO HA H 76 5.169 5.169 5.346 -0.177 25855 4648 1 11 . 1 1 76 76 PRO CA C 76 62.448 62.448 60.663 1.785 25855 4649 1 11 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.938 -0.371 25855 4650 1 11 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.378 -0.418 25855 4651 1 11 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.567 1.519 25855 4652 1 11 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.080 0.055 25855 4653 1 11 . 1 1 78 78 GLU CA C 78 59.899 59.899 58.831 1.068 25855 4654 1 11 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.543 0.487 25855 4655 1 11 . 1 1 78 78 GLU H H 78 9.555 9.555 8.432 1.123 25855 4656 1 11 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.390 -0.021 25855 4657 1 11 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.566 -0.293 25855 4658 1 11 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.489 1.640 25855 4659 1 11 . 1 1 79 79 ALA H H 79 7.018 7.018 8.284 -1.266 25855 4660 1 11 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.039 -0.257 25855 4661 1 11 . 1 1 80 80 GLN CA C 80 58.141 58.141 59.129 -0.988 25855 4662 1 11 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.548 -0.444 25855 4663 1 11 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.437 0.972 25855 4664 1 11 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.152 0.378 25855 4665 1 11 . 1 1 81 81 PHE H H 81 8.005 8.005 7.684 0.321 25855 4666 1 11 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.046 -0.049 25855 4667 1 11 . 1 1 82 82 LYS CA C 82 60.011 60.011 58.907 1.104 25855 4668 1 11 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.200 -0.263 25855 4669 1 11 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.026 0.213 25855 4670 1 11 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.717 0.310 25855 4671 1 11 . 1 1 85 85 GLY CA C 85 47.426 47.426 47.132 0.294 25855 4672 1 11 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.175 -0.020 25855 4673 1 11 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.841 -1.788 25855 4674 1 11 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.998 0.175 25855 4675 1 11 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.759 -0.275 25855 4676 1 11 . 1 1 87 87 ILE CA C 87 65.702 65.702 64.832 0.870 25855 4677 1 11 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.923 -0.541 25855 4678 1 11 . 1 1 87 87 ILE H H 87 7.681 7.681 7.432 0.249 25855 4679 1 11 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.091 -0.293 25855 4680 1 11 . 1 1 88 88 TYR CA C 88 62.987 62.987 62.544 0.444 25855 4681 1 11 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.970 0.134 25855 4682 1 11 . 1 1 88 88 TYR H H 88 8.021 8.021 9.113 -1.092 25855 4683 1 11 . 1 1 89 89 GLY H H 89 8.005 8.005 8.371 -0.366 25855 4684 1 11 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.029 0.148 25855 4685 1 11 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.281 -0.863 25855 4686 1 11 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.081 -0.691 25855 4687 1 11 . 1 1 91 91 LEU HA H 91 4.138 4.138 2.946 1.192 25855 4688 1 11 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.223 -0.418 25855 4689 1 11 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.953 -0.220 25855 4690 1 11 . 1 1 91 91 LEU H H 91 7.545 7.545 7.726 -0.181 25855 4691 1 11 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.306 0.010 25855 4692 1 11 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.672 -0.907 25855 4693 1 11 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.363 -0.229 25855 4694 1 11 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.141 -0.056 25855 4695 1 11 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.283 0.655 25855 4696 1 11 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.361 -0.102 25855 4697 1 11 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.082 0.312 25855 4698 1 11 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.360 0.175 25855 4699 1 11 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.526 -0.018 25855 4700 1 11 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.451 1.048 25855 4701 1 11 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.733 0.320 25855 4702 1 11 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.036 0.121 25855 4703 1 11 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.725 0.905 25855 4704 1 11 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.004 -0.531 25855 4705 1 11 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.857 -0.306 25855 4706 1 11 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.213 0.879 25855 4707 1 11 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.806 1.266 25855 4708 1 11 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.878 -2.132 25855 4709 1 11 . 1 1 98 98 GLY H H 98 8.539 8.539 8.239 0.300 25855 4710 1 11 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.306 0.072 25855 4711 1 11 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.646 0.294 25855 4712 1 11 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.786 0.205 25855 4713 1 11 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.467 -0.108 25855 4714 1 11 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.096 -0.190 25855 4715 1 11 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.926 -0.935 25855 4716 1 11 . 1 1 100 100 LYS H H 100 8.622 8.622 8.282 0.340 25855 4717 1 11 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.414 -0.026 25855 4718 1 11 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.315 -0.409 25855 4719 1 11 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.743 1.780 25855 4720 1 11 . 1 1 101 101 GLU H H 101 7.569 7.569 7.394 0.175 25855 4721 1 11 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.203 0.093 25855 4722 1 11 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.108 -0.733 25855 4723 1 11 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.149 0.248 25855 4724 1 11 . 1 1 102 102 GLU H H 102 8.440 8.440 8.229 0.211 25855 4725 1 11 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.566 -0.798 25855 4726 1 11 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.453 -0.106 25855 4727 1 11 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.471 -0.480 25855 4728 1 11 . 1 1 103 103 VAL H H 103 8.552 8.552 8.348 0.204 25855 4729 1 11 . 1 1 104 104 LYS HA H 104 4.614 4.614 5.354 -0.740 25855 4730 1 11 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.766 0.609 25855 4731 1 11 . 1 1 104 104 LYS CB C 104 35.180 35.180 34.046 1.134 25855 4732 1 11 . 1 1 104 104 LYS H H 104 6.924 6.924 6.948 -0.024 25855 4733 1 11 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.739 0.172 25855 4734 1 11 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.383 -0.666 25855 4735 1 11 . 1 1 105 105 LEU CB C 105 45.277 45.277 46.623 -1.346 25855 4736 1 11 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.705 0.203 25855 4737 1 11 . 1 1 106 106 GLU CA C 106 57.055 57.055 55.093 1.962 25855 4738 1 11 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.511 0.559 25855 4739 1 11 . 1 1 106 106 GLU H H 106 8.982 8.982 8.464 0.518 25855 4740 1 11 . 1 1 107 107 THR HA H 107 5.524 5.524 4.739 0.785 25855 4741 1 11 . 1 1 107 107 THR CA C 107 61.220 61.220 62.662 -1.442 25855 4742 1 11 . 1 1 107 107 THR CB C 107 71.849 71.849 69.596 2.253 25855 4743 1 11 . 1 1 107 107 THR H H 107 9.357 9.357 9.011 0.346 25855 4744 1 11 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.464 0.597 25855 4745 1 11 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.733 -1.484 25855 4746 1 11 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.759 3.421 25855 4747 1 11 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.724 -0.084 25855 4748 1 11 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.310 0.785 25855 4749 1 11 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.763 -0.737 25855 4750 1 11 . 1 1 109 109 ILE H H 109 8.818 8.818 8.459 0.359 25855 4751 1 11 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.352 -0.118 25855 4752 1 11 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.129 0.714 25855 4753 1 11 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.367 1.624 25855 4754 1 11 . 1 1 110 110 ARG H H 110 8.568 8.568 8.757 -0.189 25855 4755 1 11 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.719 0.155 25855 4756 1 11 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.572 -0.603 25855 4757 1 11 . 1 1 111 111 VAL CB C 111 33.585 33.585 35.371 -1.786 25855 4758 1 11 . 1 1 111 111 VAL H H 111 8.935 8.935 7.876 1.059 25855 4759 1 11 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.692 -0.193 25855 4760 1 11 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.398 -0.052 25855 4761 1 11 . 1 1 112 112 PRO CB C 112 31.991 31.991 29.825 2.166 25855 4762 1 11 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.984 -0.074 25855 4763 1 11 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.985 0.921 25855 4764 1 11 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.323 -0.149 25855 4765 1 11 . 1 1 113 113 ALA H H 113 9.220 9.220 9.198 0.022 25855 4766 1 11 . 1 1 114 114 SER HA H 114 4.210 4.210 4.195 0.015 25855 4767 1 11 . 1 1 114 114 SER CA C 114 60.157 60.157 59.872 0.285 25855 4768 1 11 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.568 -0.083 25855 4769 1 11 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.384 0.802 25855 4770 1 11 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.418 0.881 25855 4771 1 11 . 1 1 115 115 ALA H H 115 7.752 7.752 8.055 -0.303 25855 4772 1 11 . 1 1 116 116 ALA HA H 116 3.587 3.587 3.986 -0.399 25855 4773 1 11 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.464 -0.089 25855 4774 1 11 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.337 -0.163 25855 4775 1 11 . 1 1 116 116 ALA H H 116 7.429 7.429 7.582 -0.153 25855 4776 1 11 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.320 0.020 25855 4777 1 11 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.119 0.058 25855 4778 1 11 . 1 1 118 118 ARG CB C 118 30.397 30.397 29.501 0.896 25855 4779 1 11 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.631 0.021 25855 4780 1 11 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.922 -0.982 25855 4781 1 11 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.735 0.256 25855 4782 1 11 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.084 -0.257 25855 4783 1 11 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.600 0.831 25855 4784 1 11 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.779 -1.718 25855 4785 1 11 . 1 1 121 121 GLY H H 121 7.924 7.924 7.995 -0.071 25855 4786 1 11 . 1 1 125 125 LYS HA H 125 4.147 4.147 3.961 0.186 25855 4787 1 11 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.742 0.177 25855 4788 1 11 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.339 0.149 25855 4789 1 11 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.996 -1.621 25855 4790 1 11 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.607 -0.239 25855 4791 1 11 . 1 1 128 128 ASN H H 128 8.050 8.050 8.379 -0.329 25855 4792 1 11 . 1 1 129 129 GLU H H 129 8.138 8.138 7.840 0.298 25855 4793 1 11 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.042 0.018 25855 4794 1 11 . 1 1 130 130 LEU CB C 130 42.088 42.088 42.039 0.049 25855 4795 1 11 . 1 1 131 131 GLN HA H 131 4.294 4.294 3.960 0.334 25855 4796 1 11 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.196 -0.101 25855 4797 1 11 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.540 0.741 25855 4798 1 11 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.568 -0.297 25855 4799 1 11 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.689 0.462 25855 4800 1 11 . 1 1 134 134 THR HA H 134 4.324 4.324 4.530 -0.206 25855 4801 1 11 . 1 1 134 134 THR CA C 134 61.752 61.752 62.052 -0.300 25855 4802 1 11 . 1 1 134 134 THR CB C 134 70.047 70.047 71.209 -1.162 25855 4803 1 11 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.979 0.128 25855 4804 1 11 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.563 1.217 25855 4805 1 11 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.719 1.455 25855 4806 1 11 . 1 1 135 135 ALA H H 135 8.013 8.013 7.734 0.279 25855 4807 1 11 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.783 -0.244 25855 4808 1 11 . 1 1 136 136 ALA CA C 136 51.123 51.123 51.342 -0.219 25855 4809 1 11 . 1 1 136 136 ALA CB C 136 19.768 19.768 19.931 -0.163 25855 4810 1 11 . 1 1 136 136 ALA H H 136 8.011 8.011 7.402 0.609 25855 4811 1 11 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.702 -0.271 25855 4812 1 11 . 1 1 137 137 GLU CB C 137 36.243 36.243 33.024 3.219 25855 4813 1 11 . 1 1 137 137 GLU H H 137 8.439 8.439 8.682 -0.243 25855 4814 1 11 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.867 0.015 25855 4815 1 11 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.770 -0.550 25855 4816 1 11 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.116 1.469 25855 4817 1 11 . 1 1 138 138 VAL H H 138 8.280 8.280 8.697 -0.417 25855 4818 1 11 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.390 -0.169 25855 4819 1 11 . 1 1 139 139 VAL CA C 139 60.689 60.689 61.205 -0.516 25855 4820 1 11 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.313 2.930 25855 4821 1 11 . 1 1 139 139 VAL H H 139 9.055 9.055 8.996 0.059 25855 4822 1 11 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.589 0.033 25855 4823 1 11 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.090 0.473 25855 4824 1 11 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.213 -0.222 25855 4825 1 11 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.555 -0.326 25855 4826 1 11 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.324 1.022 25855 4827 1 11 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.553 -1.093 25855 4828 1 11 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.158 0.076 25855 4829 1 11 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.428 0.009 25855 4830 1 11 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.523 1.405 25855 4831 1 11 . 1 1 142 142 ARG H H 142 8.499 8.499 8.507 -0.008 25855 4832 1 11 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.341 0.069 25855 4833 1 11 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.337 -1.026 25855 4834 1 11 . 1 1 143 143 ASP CB C 143 39.431 39.431 39.855 -0.424 25855 4835 1 11 . 1 1 143 143 ASP H H 143 8.691 8.691 8.521 0.170 25855 4836 1 11 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.287 0.078 25855 4837 1 11 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.306 -1.250 25855 4838 1 11 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.882 1.187 25855 4839 1 11 . 1 1 144 144 GLN H H 144 7.898 7.898 7.922 -0.024 25855 4840 1 11 . 1 1 145 145 THR HA H 145 4.619 4.619 4.506 0.113 25855 4841 1 11 . 1 1 145 145 THR CA C 145 59.626 59.626 59.827 -0.201 25855 4842 1 11 . 1 1 145 145 THR CB C 145 70.255 70.255 68.263 1.992 25855 4843 1 11 . 1 1 145 145 THR H H 145 8.695 8.695 8.408 0.287 25855 4844 1 11 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.308 0.032 25855 4845 1 11 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.603 0.212 25855 4846 1 11 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.550 -0.001 25855 4847 1 11 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.813 -1.096 25855 4848 1 11 . 1 1 147 147 ASP CB C 147 41.026 41.026 43.009 -1.983 25855 4849 1 11 . 1 1 147 147 ASP H H 147 8.506 8.506 8.295 0.211 25855 4850 1 11 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.057 0.113 25855 4851 1 11 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.768 -0.205 25855 4852 1 11 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.515 -1.244 25855 4853 1 11 . 1 1 148 148 GLU H H 148 9.159 9.159 8.739 0.420 25855 4854 1 11 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.909 0.027 25855 4855 1 11 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.486 0.231 25855 4856 1 11 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.245 1.187 25855 4857 1 11 . 1 1 149 149 ASN H H 149 8.364 8.364 7.962 0.402 25855 4858 1 11 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.947 -0.176 25855 4859 1 11 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.459 0.042 25855 4860 1 11 . 1 1 150 150 GLU CB C 150 27.850 27.850 26.959 0.891 25855 4861 1 11 . 1 1 150 150 GLU H H 150 8.542 8.542 7.872 0.670 25855 4862 1 11 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.634 -0.613 25855 4863 1 11 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.014 0.829 25855 4864 1 11 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.666 -1.597 25855 4865 1 11 . 1 1 151 151 GLN H H 151 8.441 8.441 7.626 0.815 25855 4866 1 11 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.820 -0.238 25855 4867 1 11 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.934 -0.372 25855 4868 1 11 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.148 -1.031 25855 4869 1 11 . 1 1 152 152 VAL H H 152 8.999 8.999 8.594 0.405 25855 4870 1 11 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.678 -0.050 25855 4871 1 11 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.123 2.097 25855 4872 1 11 . 1 1 153 153 ILE CB C 153 40.494 40.494 36.912 3.582 25855 4873 1 11 . 1 1 153 153 ILE H H 153 8.972 8.972 8.398 0.574 25855 4874 1 11 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.847 -0.613 25855 4875 1 11 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.371 2.381 25855 4876 1 11 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.164 -1.579 25855 4877 1 11 . 1 1 154 154 VAL H H 154 8.557 8.557 8.208 0.349 25855 4878 1 11 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.621 -0.467 25855 4879 1 11 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.457 0.386 25855 4880 1 11 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.443 -0.795 25855 4881 1 11 . 1 1 155 155 LYS H H 155 8.951 8.951 8.819 0.132 25855 4882 1 11 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.111 -0.076 25855 4883 1 11 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.004 0.153 25855 4884 1 11 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.667 1.890 25855 4885 1 11 . 1 1 156 156 ILE H H 156 9.538 9.538 8.972 0.566 25855 4886 1 11 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.544 -0.443 25855 4887 1 11 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.020 2.668 25855 4888 1 11 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.079 1.415 25855 4889 1 11 . 1 1 157 157 ILE H H 157 9.468 9.468 8.870 0.598 25855 4890 1 11 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.270 0.539 25855 4891 1 11 . 1 1 158 158 GLY H H 158 8.236 8.236 7.827 0.409 25855 4892 1 11 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.879 -0.334 25855 4893 1 11 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.123 2.252 25855 4894 1 11 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.402 -0.942 25855 4895 1 11 . 1 1 159 159 HIS H H 159 7.986 7.986 7.665 0.321 25855 4896 1 11 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.874 -0.688 25855 4897 1 11 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.971 0.312 25855 4898 1 11 . 1 1 160 160 PHE CB C 160 38.368 38.368 39.305 -0.937 25855 4899 1 11 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.808 -0.368 25855 4900 1 11 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.343 0.940 25855 4901 1 11 . 1 1 161 161 TYR CB C 161 37.837 37.837 38.212 -0.375 25855 4902 1 11 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.852 0.200 25855 4903 1 11 . 1 1 162 162 ALA CA C 162 54.843 54.843 55.113 -0.270 25855 4904 1 11 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.802 0.903 25855 4905 1 11 . 1 1 162 162 ALA H H 162 7.458 7.458 8.322 -0.864 25855 4906 1 11 . 1 1 163 163 SER HA H 163 3.832 3.832 3.910 -0.078 25855 4907 1 11 . 1 1 163 163 SER CA C 163 60.050 60.050 61.761 -1.711 25855 4908 1 11 . 1 1 163 163 SER CB C 163 63.346 63.346 62.838 0.508 25855 4909 1 11 . 1 1 163 163 SER H H 163 8.403 8.403 7.932 0.471 25855 4910 1 11 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.034 -0.424 25855 4911 1 11 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.072 0.491 25855 4912 1 11 . 1 1 164 164 GLN CB C 164 6.594 6.594 27.899 -21.305 25855 4913 1 11 . 1 1 165 165 MET HA H 165 4.048 4.048 3.887 0.161 25855 4914 1 11 . 1 1 165 165 MET CA C 165 58.563 58.563 58.602 -0.039 25855 4915 1 11 . 1 1 165 165 MET CB C 165 31.991 31.991 32.396 -0.405 25855 4916 1 11 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.851 0.067 25855 4917 1 11 . 1 1 166 166 ALA CB C 166 18.076 18.076 17.902 0.174 25855 4918 1 11 . 1 1 166 166 ALA H H 166 8.208 8.208 8.485 -0.277 25855 4919 1 11 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.891 -0.263 25855 4920 1 11 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.116 1.041 25855 4921 1 11 . 1 1 167 167 GLN H H 167 8.393 8.393 8.432 -0.039 25855 4922 1 11 . 1 1 168 168 ARG HA H 168 3.890 3.890 3.974 -0.084 25855 4923 1 11 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.442 -5.406 25855 4924 1 11 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.762 0.103 25855 4925 1 11 . 1 1 168 168 ARG H H 168 8.220 8.220 7.769 0.451 25855 4926 1 11 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.014 0.119 25855 4927 1 11 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.792 -1.229 25855 4928 1 11 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.405 -0.414 25855 4929 1 11 . 1 1 169 169 LYS H H 169 8.042 8.042 7.929 0.113 25855 4930 1 11 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.823 -0.293 25855 4931 1 11 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.657 0.815 25855 4932 1 11 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.616 -0.842 25855 4933 1 11 . 1 1 170 170 ILE H H 170 8.190 8.190 8.101 0.089 25855 4934 1 11 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.957 -0.090 25855 4935 1 11 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.260 1.792 25855 4936 1 11 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.041 0.293 25855 4937 1 11 . 1 1 171 171 ARG H H 171 7.984 7.984 7.990 -0.006 25855 4938 1 11 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.454 -0.025 25855 4939 1 11 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.348 0.152 25855 4940 1 11 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.763 -0.269 25855 4941 1 11 . 1 1 172 172 ASP H H 172 7.993 7.993 7.746 0.247 25855 4942 1 11 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.604 0.046 25855 4943 1 11 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.116 0.356 25855 4944 1 11 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.827 0.541 25855 4945 1 11 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.836 0.059 25855 4946 1 11 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.147 -0.647 25855 4947 1 11 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.188 -0.162 25855 4948 1 11 . 1 1 174 174 LEU H H 174 8.270 8.270 8.370 -0.100 25855 4949 1 11 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.868 0.276 25855 4950 1 11 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.217 -1.161 25855 4951 1 11 . 1 1 175 175 ALA CB C 175 18.705 18.705 17.962 0.743 25855 4952 1 11 . 1 1 175 175 ALA H H 175 7.960 7.960 8.072 -0.112 25855 4953 1 11 . 1 1 176 176 GLN HA H 176 4.093 4.093 3.963 0.130 25855 4954 1 11 . 1 1 176 176 GLN CA C 176 58.054 58.054 59.031 -0.976 25855 4955 1 11 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.681 0.389 25855 4956 1 11 . 1 1 176 176 GLN H H 176 7.696 7.696 7.917 -0.221 25855 4957 1 11 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.944 -0.119 25855 4958 1 11 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.705 -1.654 25855 4959 1 11 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.508 0.560 25855 4960 1 11 . 1 1 177 177 VAL H H 177 7.850 7.850 8.025 -0.175 25855 4961 1 11 . 1 1 179 179 GLN H H 179 7.862 7.862 8.483 -0.621 25855 4962 1 12 . 1 1 22 22 GLN H H 22 8.152 8.152 8.216 -0.064 25855 4963 1 12 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.420 0.156 25855 4964 1 12 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.736 -0.631 25855 4965 1 12 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.742 1.689 25855 4966 1 12 . 1 1 23 23 GLU H H 23 7.926 7.926 8.338 -0.412 25855 4967 1 12 . 1 1 24 24 THR HA H 24 5.298 5.298 4.925 0.373 25855 4968 1 12 . 1 1 24 24 THR CA C 24 62.286 62.286 61.601 0.685 25855 4969 1 12 . 1 1 24 24 THR CB C 24 70.759 70.759 69.626 1.133 25855 4970 1 12 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.283 0.152 25855 4971 1 12 . 1 1 25 25 VAL CA C 25 60.621 60.621 61.436 -0.815 25855 4972 1 12 . 1 1 25 25 VAL CB C 25 35.023 35.023 33.075 1.948 25855 4973 1 12 . 1 1 26 26 HIS HA H 26 5.539 5.539 4.776 0.763 25855 4974 1 12 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.413 -2.271 25855 4975 1 12 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.659 0.058 25855 4976 1 12 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.231 -0.596 25855 4977 1 12 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.291 1.947 25855 4978 1 12 . 1 1 27 27 VAL H H 27 9.339 9.339 7.911 1.428 25855 4979 1 12 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.086 -0.175 25855 4980 1 12 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.821 0.904 25855 4981 1 12 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.550 -0.641 25855 4982 1 12 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.851 0.035 25855 4983 1 12 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.457 -0.343 25855 4984 1 12 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.719 -0.804 25855 4985 1 12 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.496 0.012 25855 4986 1 12 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.829 0.080 25855 4987 1 12 . 1 1 30 30 PRO CB C 30 31.841 31.841 32.239 -0.398 25855 4988 1 12 . 1 1 31 31 ALA HA H 31 3.593 3.593 4.069 -0.476 25855 4989 1 12 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.512 0.984 25855 4990 1 12 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.535 -0.465 25855 4991 1 12 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.347 -0.164 25855 4992 1 12 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.739 -0.398 25855 4993 1 12 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.445 -0.578 25855 4994 1 12 . 1 1 33 33 ALA HA H 33 3.958 3.958 3.751 0.207 25855 4995 1 12 . 1 1 33 33 ALA CA C 33 51.416 51.416 55.035 -3.619 25855 4996 1 12 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.330 0.754 25855 4997 1 12 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.750 -0.864 25855 4998 1 12 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.267 2.075 25855 4999 1 12 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.190 1.332 25855 5000 1 12 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.307 -0.408 25855 5001 1 12 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.205 -1.212 25855 5002 1 12 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.469 -1.231 25855 5003 1 12 . 1 1 36 36 ALA CB C 36 18.247 18.247 19.133 -0.886 25855 5004 1 12 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.893 -0.442 25855 5005 1 12 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.826 -3.309 25855 5006 1 12 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.396 -2.086 25855 5007 1 12 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.870 0.019 25855 5008 1 12 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.944 0.637 25855 5009 1 12 . 1 1 38 38 ILE CB C 38 38.840 38.840 36.639 2.201 25855 5010 1 12 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.160 0.993 25855 5011 1 12 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.048 0.532 25855 5012 1 12 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.701 -0.331 25855 5013 1 12 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.463 0.337 25855 5014 1 12 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.269 0.073 25855 5015 1 12 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.401 -3.168 25855 5016 1 12 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.692 0.196 25855 5017 1 12 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.170 1.468 25855 5018 1 12 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.907 -0.657 25855 5019 1 12 . 1 1 46 46 LYS HA H 46 4.136 4.136 3.973 0.163 25855 5020 1 12 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.122 0.481 25855 5021 1 12 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.147 0.324 25855 5022 1 12 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.084 -0.050 25855 5023 1 12 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.091 -0.049 25855 5024 1 12 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.511 0.574 25855 5025 1 12 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.020 1.351 25855 5026 1 12 . 1 1 49 49 SER HA H 49 4.183 4.183 4.348 -0.165 25855 5027 1 12 . 1 1 49 49 SER CA C 49 61.932 61.932 61.464 0.468 25855 5028 1 12 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.199 -0.040 25855 5029 1 12 . 1 1 50 50 ARG CA C 50 58.431 58.431 57.850 0.581 25855 5030 1 12 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.725 0.427 25855 5031 1 12 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.192 0.130 25855 5032 1 12 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.696 -0.877 25855 5033 1 12 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.277 0.248 25855 5034 1 12 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.042 -0.279 25855 5035 1 12 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.466 -0.088 25855 5036 1 12 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.004 0.374 25855 5037 1 12 . 1 1 52 52 ALA H H 52 8.465 8.465 7.687 0.778 25855 5038 1 12 . 1 1 53 53 SER CB C 53 61.826 61.826 61.402 0.424 25855 5039 1 12 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.851 0.081 25855 5040 1 12 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.809 -1.676 25855 5041 1 12 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.657 0.741 25855 5042 1 12 . 1 1 55 55 SER HA H 55 4.766 4.766 4.685 0.081 25855 5043 1 12 . 1 1 55 55 SER CB C 55 63.541 63.541 62.847 0.694 25855 5044 1 12 . 1 1 56 56 ILE HA H 56 4.992 4.992 5.004 -0.012 25855 5045 1 12 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.805 0.386 25855 5046 1 12 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.316 1.194 25855 5047 1 12 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.580 0.174 25855 5048 1 12 . 1 1 57 57 LYS CA C 57 54.655 54.655 55.119 -0.464 25855 5049 1 12 . 1 1 57 57 LYS CB C 57 36.326 36.326 32.641 3.685 25855 5050 1 12 . 1 1 57 57 LYS H H 57 8.732 8.732 8.355 0.377 25855 5051 1 12 . 1 1 58 58 ILE HA H 58 4.711 4.711 5.527 -0.816 25855 5052 1 12 . 1 1 58 58 ILE CA C 58 60.597 60.597 58.057 2.540 25855 5053 1 12 . 1 1 58 58 ILE CB C 58 37.464 37.464 40.914 -3.450 25855 5054 1 12 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.785 -0.277 25855 5055 1 12 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.755 1.933 25855 5056 1 12 . 1 1 59 59 ALA CB C 59 18.359 18.359 17.896 0.463 25855 5057 1 12 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.087 -0.048 25855 5058 1 12 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.022 0.936 25855 5059 1 12 . 1 1 62 62 GLU CB C 62 30.430 30.430 28.918 1.512 25855 5060 1 12 . 1 1 63 63 THR HA H 63 4.786 4.786 4.557 0.229 25855 5061 1 12 . 1 1 63 63 THR CA C 63 58.498 58.498 59.620 -1.122 25855 5062 1 12 . 1 1 63 63 THR CB C 63 69.943 69.943 69.497 0.446 25855 5063 1 12 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.336 -0.047 25855 5064 1 12 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.952 0.781 25855 5065 1 12 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.696 -0.023 25855 5066 1 12 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.638 0.002 25855 5067 1 12 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.659 -1.800 25855 5068 1 12 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.401 1.059 25855 5069 1 12 . 1 1 65 65 ASP H H 65 7.985 7.985 8.460 -0.475 25855 5070 1 12 . 1 1 66 66 SER CB C 66 63.942 63.942 63.316 0.626 25855 5071 1 12 . 1 1 66 66 SER H H 66 7.515 7.515 8.002 -0.487 25855 5072 1 12 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.146 0.197 25855 5073 1 12 . 1 1 67 67 LYS CA C 67 57.242 57.242 58.701 -1.459 25855 5074 1 12 . 1 1 67 67 LYS CB C 67 32.803 32.803 33.011 -0.208 25855 5075 1 12 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.568 0.625 25855 5076 1 12 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.682 -0.710 25855 5077 1 12 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.855 1.361 25855 5078 1 12 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.792 -0.100 25855 5079 1 12 . 1 1 69 69 ARG CA C 69 52.273 52.273 53.313 -1.040 25855 5080 1 12 . 1 1 69 69 ARG CB C 69 32.761 32.761 32.192 0.569 25855 5081 1 12 . 1 1 70 70 MET HA H 70 3.798 3.798 5.066 -1.268 25855 5082 1 12 . 1 1 70 70 MET CA C 70 55.444 55.444 54.709 0.735 25855 5083 1 12 . 1 1 70 70 MET CB C 70 36.034 36.034 34.012 2.022 25855 5084 1 12 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.754 -0.442 25855 5085 1 12 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.640 1.257 25855 5086 1 12 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.224 0.438 25855 5087 1 12 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.968 -0.202 25855 5088 1 12 . 1 1 72 72 VAL CB C 72 31.464 31.464 30.989 0.475 25855 5089 1 12 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.295 0.638 25855 5090 1 12 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.739 2.051 25855 5091 1 12 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.114 3.987 25855 5092 1 12 . 1 1 73 73 ILE H H 73 8.981 8.981 9.082 -0.101 25855 5093 1 12 . 1 1 74 74 THR HA H 74 5.630 5.630 4.794 0.836 25855 5094 1 12 . 1 1 74 74 THR CA C 74 60.813 60.813 61.961 -1.148 25855 5095 1 12 . 1 1 74 74 THR CB C 74 70.966 70.966 69.671 1.295 25855 5096 1 12 . 1 1 74 74 THR H H 74 9.227 9.227 8.099 1.128 25855 5097 1 12 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.934 -0.902 25855 5098 1 12 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.958 0.211 25855 5099 1 12 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.271 1.177 25855 5100 1 12 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.506 -0.939 25855 5101 1 12 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.311 -0.351 25855 5102 1 12 . 1 1 77 77 PRO CA C 77 67.086 67.086 64.986 2.100 25855 5103 1 12 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.231 -0.096 25855 5104 1 12 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.168 0.731 25855 5105 1 12 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.298 -0.268 25855 5106 1 12 . 1 1 78 78 GLU H H 78 9.555 9.555 8.886 0.669 25855 5107 1 12 . 1 1 79 79 ALA HA H 79 4.369 4.369 3.931 0.438 25855 5108 1 12 . 1 1 79 79 ALA CA C 79 54.273 54.273 55.040 -0.767 25855 5109 1 12 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.183 1.946 25855 5110 1 12 . 1 1 79 79 ALA H H 79 7.018 7.018 7.581 -0.563 25855 5111 1 12 . 1 1 80 80 GLN HA H 80 3.782 3.782 3.898 -0.116 25855 5112 1 12 . 1 1 80 80 GLN CA C 80 58.141 58.141 59.336 -1.195 25855 5113 1 12 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.410 -0.306 25855 5114 1 12 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.113 0.296 25855 5115 1 12 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.689 0.841 25855 5116 1 12 . 1 1 81 81 PHE H H 81 8.005 8.005 7.685 0.320 25855 5117 1 12 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.070 -0.073 25855 5118 1 12 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.960 0.051 25855 5119 1 12 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.164 -0.227 25855 5120 1 12 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.105 0.134 25855 5121 1 12 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.261 0.766 25855 5122 1 12 . 1 1 85 85 GLY CA C 85 47.426 47.426 47.392 0.034 25855 5123 1 12 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.279 -0.124 25855 5124 1 12 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.588 -0.535 25855 5125 1 12 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.077 0.096 25855 5126 1 12 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.657 -0.173 25855 5127 1 12 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.936 -0.234 25855 5128 1 12 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.856 -0.474 25855 5129 1 12 . 1 1 87 87 ILE H H 87 7.681 7.681 7.682 -0.001 25855 5130 1 12 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.299 -0.501 25855 5131 1 12 . 1 1 88 88 TYR CA C 88 62.987 62.987 62.350 0.637 25855 5132 1 12 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.566 0.538 25855 5133 1 12 . 1 1 88 88 TYR H H 88 8.021 8.021 9.086 -1.065 25855 5134 1 12 . 1 1 89 89 GLY H H 89 8.005 8.005 7.972 0.033 25855 5135 1 12 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.128 0.049 25855 5136 1 12 . 1 1 90 90 LYS CA C 90 57.418 57.418 59.026 -1.607 25855 5137 1 12 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.901 -0.511 25855 5138 1 12 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.083 0.055 25855 5139 1 12 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.437 -0.632 25855 5140 1 12 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.486 -0.753 25855 5141 1 12 . 1 1 91 91 LEU H H 91 7.545 7.545 8.312 -0.767 25855 5142 1 12 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.252 0.064 25855 5143 1 12 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.981 -0.216 25855 5144 1 12 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.583 -0.449 25855 5145 1 12 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.229 -0.144 25855 5146 1 12 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.686 0.252 25855 5147 1 12 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.287 -0.028 25855 5148 1 12 . 1 1 94 94 GLU CA C 94 55.394 55.394 56.000 -0.606 25855 5149 1 12 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.674 -0.139 25855 5150 1 12 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.548 -0.040 25855 5151 1 12 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.873 1.626 25855 5152 1 12 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.819 0.235 25855 5153 1 12 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.047 0.110 25855 5154 1 12 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.103 0.527 25855 5155 1 12 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.273 -0.800 25855 5156 1 12 . 1 1 97 97 PHE HA H 97 4.551 4.551 5.019 -0.468 25855 5157 1 12 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.691 0.401 25855 5158 1 12 . 1 1 97 97 PHE CB C 97 41.072 41.072 38.059 3.013 25855 5159 1 12 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.778 -1.032 25855 5160 1 12 . 1 1 98 98 GLY H H 98 8.539 8.539 8.374 0.165 25855 5161 1 12 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.323 0.055 25855 5162 1 12 . 1 1 99 99 PRO CA C 99 64.940 64.940 65.476 -0.536 25855 5163 1 12 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.718 0.272 25855 5164 1 12 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.572 -0.213 25855 5165 1 12 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.464 -0.558 25855 5166 1 12 . 1 1 100 100 LYS CB C 100 31.991 31.991 33.194 -1.203 25855 5167 1 12 . 1 1 100 100 LYS H H 100 8.622 8.622 8.544 0.078 25855 5168 1 12 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.487 -0.099 25855 5169 1 12 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.739 0.167 25855 5170 1 12 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.195 0.328 25855 5171 1 12 . 1 1 101 101 GLU H H 101 7.569 7.569 7.595 -0.026 25855 5172 1 12 . 1 1 102 102 GLU HA H 102 4.296 4.296 3.854 0.442 25855 5173 1 12 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.237 -0.862 25855 5174 1 12 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.702 -0.305 25855 5175 1 12 . 1 1 102 102 GLU H H 102 8.440 8.440 8.635 -0.195 25855 5176 1 12 . 1 1 103 103 VAL HA H 103 2.768 2.768 4.178 -1.410 25855 5177 1 12 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.243 1.103 25855 5178 1 12 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.750 -0.759 25855 5179 1 12 . 1 1 103 103 VAL H H 103 8.552 8.552 7.790 0.762 25855 5180 1 12 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.134 0.480 25855 5181 1 12 . 1 1 104 104 LYS CA C 104 55.375 55.375 55.621 -0.246 25855 5182 1 12 . 1 1 104 104 LYS CB C 104 35.180 35.180 30.640 4.540 25855 5183 1 12 . 1 1 104 104 LYS H H 104 6.924 6.924 7.000 -0.076 25855 5184 1 12 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.657 0.254 25855 5185 1 12 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.971 -1.254 25855 5186 1 12 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.559 -0.282 25855 5187 1 12 . 1 1 106 106 GLU HA H 106 4.908 4.908 5.202 -0.294 25855 5188 1 12 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.274 2.781 25855 5189 1 12 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.067 1.003 25855 5190 1 12 . 1 1 106 106 GLU H H 106 8.982 8.982 8.409 0.573 25855 5191 1 12 . 1 1 107 107 THR HA H 107 5.524 5.524 4.610 0.914 25855 5192 1 12 . 1 1 107 107 THR CA C 107 61.220 61.220 62.956 -1.736 25855 5193 1 12 . 1 1 107 107 THR CB C 107 71.849 71.849 69.059 2.790 25855 5194 1 12 . 1 1 107 107 THR H H 107 9.357 9.357 8.467 0.890 25855 5195 1 12 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.415 0.646 25855 5196 1 12 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.916 -1.667 25855 5197 1 12 . 1 1 108 108 HIS CB C 108 35.180 35.180 30.816 4.364 25855 5198 1 12 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.601 0.039 25855 5199 1 12 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.005 1.090 25855 5200 1 12 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.882 0.145 25855 5201 1 12 . 1 1 109 109 ILE H H 109 8.818 8.818 8.013 0.805 25855 5202 1 12 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.785 0.449 25855 5203 1 12 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.690 -0.847 25855 5204 1 12 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.417 2.574 25855 5205 1 12 . 1 1 110 110 ARG H H 110 8.568 8.568 8.546 0.022 25855 5206 1 12 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.496 0.378 25855 5207 1 12 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.408 -1.439 25855 5208 1 12 . 1 1 111 111 VAL CB C 111 33.585 33.585 35.720 -2.135 25855 5209 1 12 . 1 1 111 111 VAL H H 111 8.935 8.935 8.620 0.315 25855 5210 1 12 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.581 -0.082 25855 5211 1 12 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.846 0.500 25855 5212 1 12 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.747 0.244 25855 5213 1 12 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.079 -0.169 25855 5214 1 12 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.866 1.040 25855 5215 1 12 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.811 -0.637 25855 5216 1 12 . 1 1 113 113 ALA H H 113 9.220 9.220 8.880 0.340 25855 5217 1 12 . 1 1 114 114 SER HA H 114 4.210 4.210 4.361 -0.151 25855 5218 1 12 . 1 1 114 114 SER CA C 114 60.157 60.157 59.303 0.855 25855 5219 1 12 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.691 -0.206 25855 5220 1 12 . 1 1 115 115 ALA CA C 115 52.186 52.186 52.111 0.075 25855 5221 1 12 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.884 0.415 25855 5222 1 12 . 1 1 115 115 ALA H H 115 7.752 7.752 8.106 -0.354 25855 5223 1 12 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.051 -0.464 25855 5224 1 12 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.293 0.082 25855 5225 1 12 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.475 -0.301 25855 5226 1 12 . 1 1 116 116 ALA H H 116 7.429 7.429 7.432 -0.003 25855 5227 1 12 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.056 0.284 25855 5228 1 12 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.302 -0.125 25855 5229 1 12 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.490 -0.093 25855 5230 1 12 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.704 -0.052 25855 5231 1 12 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.847 -0.907 25855 5232 1 12 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.896 0.095 25855 5233 1 12 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.041 -0.214 25855 5234 1 12 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.888 1.543 25855 5235 1 12 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.839 -2.777 25855 5236 1 12 . 1 1 121 121 GLY H H 121 7.924 7.924 8.022 -0.098 25855 5237 1 12 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.032 0.115 25855 5238 1 12 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.623 0.296 25855 5239 1 12 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.392 0.096 25855 5240 1 12 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.854 -1.479 25855 5241 1 12 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.471 -0.103 25855 5242 1 12 . 1 1 128 128 ASN H H 128 8.050 8.050 8.336 -0.286 25855 5243 1 12 . 1 1 129 129 GLU H H 129 8.138 8.138 8.207 -0.069 25855 5244 1 12 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.058 0.002 25855 5245 1 12 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.490 0.598 25855 5246 1 12 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.047 0.247 25855 5247 1 12 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.121 -0.026 25855 5248 1 12 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.543 0.738 25855 5249 1 12 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.407 -0.136 25855 5250 1 12 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.922 0.229 25855 5251 1 12 . 1 1 134 134 THR HA H 134 4.324 4.324 4.507 -0.183 25855 5252 1 12 . 1 1 134 134 THR CA C 134 61.752 61.752 61.739 0.013 25855 5253 1 12 . 1 1 134 134 THR CB C 134 70.047 70.047 71.011 -0.964 25855 5254 1 12 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.066 0.041 25855 5255 1 12 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.884 0.896 25855 5256 1 12 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.386 0.788 25855 5257 1 12 . 1 1 135 135 ALA H H 135 8.013 8.013 7.684 0.329 25855 5258 1 12 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.693 -0.154 25855 5259 1 12 . 1 1 136 136 ALA CA C 136 51.123 51.123 51.579 -0.456 25855 5260 1 12 . 1 1 136 136 ALA CB C 136 19.768 19.768 19.679 0.089 25855 5261 1 12 . 1 1 136 136 ALA H H 136 8.011 8.011 7.254 0.757 25855 5262 1 12 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.586 -0.155 25855 5263 1 12 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.820 4.423 25855 5264 1 12 . 1 1 137 137 GLU H H 137 8.439 8.439 8.590 -0.151 25855 5265 1 12 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.551 0.331 25855 5266 1 12 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.626 -0.405 25855 5267 1 12 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.331 1.254 25855 5268 1 12 . 1 1 138 138 VAL H H 138 8.280 8.280 8.533 -0.253 25855 5269 1 12 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.298 -0.077 25855 5270 1 12 . 1 1 139 139 VAL CA C 139 60.689 60.689 61.572 -0.883 25855 5271 1 12 . 1 1 139 139 VAL CB C 139 36.243 36.243 32.209 4.035 25855 5272 1 12 . 1 1 139 139 VAL H H 139 9.055 9.055 9.209 -0.154 25855 5273 1 12 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.587 0.035 25855 5274 1 12 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.888 0.675 25855 5275 1 12 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.528 -0.537 25855 5276 1 12 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.474 -0.245 25855 5277 1 12 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.425 0.921 25855 5278 1 12 . 1 1 141 141 PRO CB C 141 31.460 31.460 31.706 -0.246 25855 5279 1 12 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.162 0.072 25855 5280 1 12 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.526 -1.089 25855 5281 1 12 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.362 0.566 25855 5282 1 12 . 1 1 142 142 ARG H H 142 8.499 8.499 8.454 0.045 25855 5283 1 12 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.292 0.118 25855 5284 1 12 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.211 -0.899 25855 5285 1 12 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.110 -0.679 25855 5286 1 12 . 1 1 143 143 ASP H H 143 8.691 8.691 8.749 -0.058 25855 5287 1 12 . 1 1 144 144 GLN HA H 144 4.365 4.365 3.979 0.386 25855 5288 1 12 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.752 -1.696 25855 5289 1 12 . 1 1 144 144 GLN CB C 144 31.069 31.069 28.100 2.969 25855 5290 1 12 . 1 1 144 144 GLN H H 144 7.898 7.898 7.714 0.184 25855 5291 1 12 . 1 1 145 145 THR HA H 145 4.619 4.619 4.712 -0.093 25855 5292 1 12 . 1 1 145 145 THR CA C 145 59.626 59.626 58.758 0.868 25855 5293 1 12 . 1 1 145 145 THR CB C 145 70.255 70.255 69.014 1.241 25855 5294 1 12 . 1 1 145 145 THR H H 145 8.695 8.695 8.314 0.381 25855 5295 1 12 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.715 -0.375 25855 5296 1 12 . 1 1 146 146 PRO CA C 146 62.815 62.815 61.873 0.942 25855 5297 1 12 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.778 -0.229 25855 5298 1 12 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.687 -0.970 25855 5299 1 12 . 1 1 147 147 ASP CB C 147 41.026 41.026 42.673 -1.647 25855 5300 1 12 . 1 1 147 147 ASP H H 147 8.506 8.506 8.655 -0.149 25855 5301 1 12 . 1 1 148 148 GLU HA H 148 4.170 4.170 3.999 0.171 25855 5302 1 12 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.011 -0.448 25855 5303 1 12 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.270 -0.999 25855 5304 1 12 . 1 1 148 148 GLU H H 148 9.159 9.159 8.886 0.273 25855 5305 1 12 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.775 0.161 25855 5306 1 12 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.870 -0.153 25855 5307 1 12 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.668 0.763 25855 5308 1 12 . 1 1 149 149 ASN H H 149 8.364 8.364 8.164 0.200 25855 5309 1 12 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.980 -0.209 25855 5310 1 12 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.729 -0.229 25855 5311 1 12 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.035 0.815 25855 5312 1 12 . 1 1 150 150 GLU H H 150 8.542 8.542 8.082 0.460 25855 5313 1 12 . 1 1 151 151 GLN HA H 151 5.021 5.021 4.535 0.486 25855 5314 1 12 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.296 -0.453 25855 5315 1 12 . 1 1 151 151 GLN CB C 151 31.069 31.069 30.676 0.393 25855 5316 1 12 . 1 1 151 151 GLN H H 151 8.441 8.441 7.500 0.941 25855 5317 1 12 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.299 0.283 25855 5318 1 12 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.697 -1.134 25855 5319 1 12 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.245 -1.127 25855 5320 1 12 . 1 1 152 152 VAL H H 152 8.999 8.999 8.923 0.076 25855 5321 1 12 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.173 -0.545 25855 5322 1 12 . 1 1 153 153 ILE CA C 153 61.220 61.220 58.460 2.760 25855 5323 1 12 . 1 1 153 153 ILE CB C 153 40.494 40.494 39.308 1.186 25855 5324 1 12 . 1 1 153 153 ILE H H 153 8.972 8.972 8.370 0.602 25855 5325 1 12 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.646 -0.412 25855 5326 1 12 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.593 2.159 25855 5327 1 12 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.506 -0.921 25855 5328 1 12 . 1 1 154 154 VAL H H 154 8.557 8.557 8.271 0.286 25855 5329 1 12 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.957 0.197 25855 5330 1 12 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.709 0.134 25855 5331 1 12 . 1 1 155 155 LYS CB C 155 34.648 34.648 34.589 0.059 25855 5332 1 12 . 1 1 155 155 LYS H H 155 8.951 8.951 8.906 0.045 25855 5333 1 12 . 1 1 156 156 ILE HA H 156 5.035 5.035 4.916 0.119 25855 5334 1 12 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.165 -0.008 25855 5335 1 12 . 1 1 156 156 ILE CB C 156 41.557 41.557 40.557 1.000 25855 5336 1 12 . 1 1 156 156 ILE H H 156 9.538 9.538 8.324 1.214 25855 5337 1 12 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.359 -0.258 25855 5338 1 12 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.350 2.339 25855 5339 1 12 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.598 2.896 25855 5340 1 12 . 1 1 157 157 ILE H H 157 9.468 9.468 8.709 0.759 25855 5341 1 12 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.308 0.501 25855 5342 1 12 . 1 1 158 158 GLY H H 158 8.236 8.236 8.087 0.149 25855 5343 1 12 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.528 1.017 25855 5344 1 12 . 1 1 159 159 HIS CA C 159 55.375 55.375 57.669 -2.294 25855 5345 1 12 . 1 1 159 159 HIS CB C 159 31.460 31.460 30.894 0.566 25855 5346 1 12 . 1 1 159 159 HIS H H 159 7.986 7.986 9.172 -1.186 25855 5347 1 12 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.846 -0.660 25855 5348 1 12 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.802 0.481 25855 5349 1 12 . 1 1 160 160 PHE CB C 160 38.368 38.368 39.234 -0.866 25855 5350 1 12 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.074 -0.634 25855 5351 1 12 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.177 1.106 25855 5352 1 12 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.453 0.384 25855 5353 1 12 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.985 0.067 25855 5354 1 12 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.659 0.184 25855 5355 1 12 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.338 0.367 25855 5356 1 12 . 1 1 162 162 ALA H H 162 7.458 7.458 8.357 -0.899 25855 5357 1 12 . 1 1 163 163 SER HA H 163 3.832 3.832 3.987 -0.155 25855 5358 1 12 . 1 1 163 163 SER CA C 163 60.050 60.050 62.010 -1.960 25855 5359 1 12 . 1 1 163 163 SER CB C 163 63.346 63.346 62.338 1.008 25855 5360 1 12 . 1 1 163 163 SER H H 163 8.403 8.403 8.450 -0.047 25855 5361 1 12 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.109 -0.499 25855 5362 1 12 . 1 1 164 164 GLN CA C 164 58.563 58.563 59.031 -0.468 25855 5363 1 12 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.497 -21.904 25855 5364 1 12 . 1 1 165 165 MET HA H 165 4.048 4.048 4.033 0.015 25855 5365 1 12 . 1 1 165 165 MET CA C 165 58.563 58.563 59.014 -0.451 25855 5366 1 12 . 1 1 165 165 MET CB C 165 31.991 31.991 32.495 -0.504 25855 5367 1 12 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.873 0.045 25855 5368 1 12 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.082 -0.006 25855 5369 1 12 . 1 1 166 166 ALA H H 166 8.208 8.208 8.458 -0.250 25855 5370 1 12 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.931 -0.303 25855 5371 1 12 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.329 0.828 25855 5372 1 12 . 1 1 167 167 GLN H H 167 8.393 8.393 8.378 0.015 25855 5373 1 12 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.024 -0.134 25855 5374 1 12 . 1 1 168 168 ARG CA C 168 53.036 53.036 60.151 -7.115 25855 5375 1 12 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.177 -0.312 25855 5376 1 12 . 1 1 168 168 ARG H H 168 8.220 8.220 8.288 -0.068 25855 5377 1 12 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.138 -0.005 25855 5378 1 12 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.990 -0.427 25855 5379 1 12 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.090 -0.099 25855 5380 1 12 . 1 1 169 169 LYS H H 169 8.042 8.042 7.975 0.067 25855 5381 1 12 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.844 -0.314 25855 5382 1 12 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.701 0.771 25855 5383 1 12 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.578 -0.804 25855 5384 1 12 . 1 1 170 170 ILE H H 170 8.190 8.190 8.197 -0.007 25855 5385 1 12 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.895 -0.028 25855 5386 1 12 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.565 0.486 25855 5387 1 12 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.590 -0.257 25855 5388 1 12 . 1 1 171 171 ARG H H 171 7.984 7.984 8.477 -0.493 25855 5389 1 12 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.452 -0.023 25855 5390 1 12 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.340 0.161 25855 5391 1 12 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.669 -0.175 25855 5392 1 12 . 1 1 172 172 ASP H H 172 7.993 7.993 7.877 0.116 25855 5393 1 12 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.654 -0.004 25855 5394 1 12 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.970 0.502 25855 5395 1 12 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.834 0.534 25855 5396 1 12 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.891 0.004 25855 5397 1 12 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.098 -0.598 25855 5398 1 12 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.895 -0.869 25855 5399 1 12 . 1 1 174 174 LEU H H 174 8.270 8.270 8.170 0.100 25855 5400 1 12 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.849 0.295 25855 5401 1 12 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.177 -1.121 25855 5402 1 12 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.058 0.647 25855 5403 1 12 . 1 1 175 175 ALA H H 175 7.960 7.960 7.916 0.044 25855 5404 1 12 . 1 1 176 176 GLN HA H 176 4.093 4.093 3.926 0.167 25855 5405 1 12 . 1 1 176 176 GLN CA C 176 58.054 58.054 59.054 -1.000 25855 5406 1 12 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.740 0.330 25855 5407 1 12 . 1 1 176 176 GLN H H 176 7.696 7.696 7.623 0.073 25855 5408 1 12 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.518 0.307 25855 5409 1 12 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.447 -2.396 25855 5410 1 12 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.367 0.701 25855 5411 1 12 . 1 1 177 177 VAL H H 177 7.850 7.850 7.753 0.097 25855 5412 1 12 . 1 1 179 179 GLN H H 179 7.862 7.862 8.299 -0.437 25855 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 0 0.000 0.000 0.000 25855 2 1 1 "Average Difference" HA 152 0.382 0.049 0.380 25855 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25855 4 1 1 "Average Difference" CA 128 1.398 -0.017 1.403 25855 5 1 1 "Average Difference" CB 122 2.428 -0.188 2.431 25855 6 1 1 "Average Difference" HN 69 0.528 -0.069 0.527 25855 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25855 8 1 2 "Average Difference" HA 152 0.356 0.060 0.352 25855 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25855 10 1 2 "Average Difference" CA 128 1.280 0.031 1.285 25855 11 1 2 "Average Difference" CB 122 2.332 -0.206 2.333 25855 12 1 2 "Average Difference" HN 69 0.410 -0.024 0.412 25855 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25855 14 1 3 "Average Difference" HA 152 0.323 0.039 0.322 25855 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25855 16 1 3 "Average Difference" CA 128 1.352 -0.032 1.356 25855 17 1 3 "Average Difference" CB 122 2.378 -0.221 2.377 25855 18 1 3 "Average Difference" HN 69 0.537 -0.062 0.537 25855 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25855 20 1 4 "Average Difference" HA 152 0.400 0.047 0.398 25855 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25855 22 1 4 "Average Difference" CA 128 1.339 -0.064 1.343 25855 23 1 4 "Average Difference" CB 122 2.375 -0.067 2.384 25855 24 1 4 "Average Difference" HN 69 0.526 -0.104 0.519 25855 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25855 26 1 5 "Average Difference" HA 152 0.353 0.063 0.349 25855 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25855 28 1 5 "Average Difference" CA 128 1.448 0.000 1.453 25855 29 1 5 "Average Difference" CB 122 2.398 -0.188 2.400 25855 30 1 5 "Average Difference" HN 69 0.488 -0.100 0.481 25855 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25855 32 1 6 "Average Difference" HA 152 0.364 0.055 0.361 25855 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25855 34 1 6 "Average Difference" CA 128 1.358 0.046 1.362 25855 35 1 6 "Average Difference" CB 122 2.361 -0.185 2.364 25855 36 1 6 "Average Difference" HN 69 0.495 -0.070 0.494 25855 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25855 38 1 7 "Average Difference" HA 152 0.362 0.061 0.358 25855 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25855 40 1 7 "Average Difference" CA 128 1.299 -0.026 1.304 25855 41 1 7 "Average Difference" CB 122 2.379 -0.082 2.387 25855 42 1 7 "Average Difference" HN 69 0.476 -0.030 0.478 25855 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25855 44 1 8 "Average Difference" HA 152 0.353 0.046 0.351 25855 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25855 46 1 8 "Average Difference" CA 128 1.348 -0.094 1.350 25855 47 1 8 "Average Difference" CB 122 2.324 -0.143 2.329 25855 48 1 8 "Average Difference" HN 69 0.480 -0.118 0.468 25855 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25855 50 1 9 "Average Difference" HA 152 0.361 0.095 0.350 25855 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25855 52 1 9 "Average Difference" CA 128 1.232 -0.133 1.230 25855 53 1 9 "Average Difference" CB 122 2.382 -0.129 2.388 25855 54 1 9 "Average Difference" HN 69 0.474 -0.133 0.458 25855 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25855 56 1 10 "Average Difference" HA 152 0.384 0.066 0.380 25855 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25855 58 1 10 "Average Difference" CA 128 1.297 -0.119 1.297 25855 59 1 10 "Average Difference" CB 122 2.409 -0.213 2.410 25855 60 1 10 "Average Difference" HN 69 0.471 -0.109 0.461 25855 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25855 62 1 11 "Average Difference" HA 152 0.365 0.059 0.362 25855 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25855 64 1 11 "Average Difference" CA 128 1.234 -0.074 1.237 25855 65 1 11 "Average Difference" CB 122 2.277 -0.090 2.284 25855 66 1 11 "Average Difference" HN 69 0.488 -0.138 0.472 25855 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25855 68 1 12 "Average Difference" HA 152 0.406 0.030 0.406 25855 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25855 70 1 12 "Average Difference" CA 128 1.341 0.158 1.336 25855 71 1 12 "Average Difference" CB 122 2.450 -0.269 2.446 25855 72 1 12 "Average Difference" HN 69 0.506 -0.097 0.500 25855 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 25855 _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 22 22 GLN H H 22 8.152 8.152 7.877 0.275 25855 2 1 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.355 0.221 25855 3 1 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.371 -1.266 25855 4 1 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.682 1.749 25855 5 1 . 1 1 23 23 GLU H H 23 7.926 7.926 8.464 -0.538 25855 6 1 . 1 1 24 24 THR HA H 24 5.298 5.298 5.265 0.033 25855 7 1 . 1 1 24 24 THR CA C 24 62.286 62.286 61.032 1.254 25855 8 1 . 1 1 24 24 THR CB C 24 70.759 70.759 70.521 0.238 25855 9 1 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.740 -0.305 25855 10 1 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.629 0.992 25855 11 1 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.058 0.965 25855 12 1 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.479 0.060 25855 13 1 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.073 -1.931 25855 14 1 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.704 0.013 25855 15 1 . 1 1 27 27 VAL CA C 27 60.635 60.635 60.053 0.582 25855 16 1 . 1 1 27 27 VAL CB C 27 35.238 35.238 34.330 0.908 25855 17 1 . 1 1 27 27 VAL H H 27 9.339 9.339 8.023 1.316 25855 18 1 . 1 1 28 28 PHE HA H 28 4.911 4.911 5.206 -0.295 25855 19 1 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.470 1.256 25855 20 1 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.827 -0.918 25855 21 1 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.881 0.005 25855 22 1 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.502 -0.388 25855 23 1 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.548 -0.633 25855 24 1 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.454 0.054 25855 25 1 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.266 -0.357 25855 26 1 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.442 0.399 25855 27 1 . 1 1 31 31 ALA HA H 31 3.593 3.593 4.002 -0.409 25855 28 1 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.824 0.672 25855 29 1 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.752 -0.681 25855 30 1 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.127 0.056 25855 31 1 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.534 -0.193 25855 32 1 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.338 -0.471 25855 33 1 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.123 -0.165 25855 34 1 . 1 1 33 33 ALA CA C 33 51.416 51.416 53.690 -2.274 25855 35 1 . 1 1 33 33 ALA CB C 33 19.084 19.084 18.594 0.490 25855 36 1 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.706 -0.820 25855 37 1 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.662 1.680 25855 38 1 . 1 1 34 34 VAL CB C 34 31.522 31.522 30.725 0.797 25855 39 1 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.241 -0.343 25855 40 1 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.242 -1.250 25855 41 1 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.494 -1.256 25855 42 1 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.987 -0.740 25855 43 1 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.848 -0.397 25855 44 1 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.861 -3.344 25855 45 1 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.437 -2.127 25855 46 1 . 1 1 38 38 ILE HA H 38 3.889 3.889 4.061 -0.172 25855 47 1 . 1 1 38 38 ILE CA C 38 64.581 64.581 61.292 3.289 25855 48 1 . 1 1 38 38 ILE CB C 38 38.840 38.840 36.602 2.237 25855 49 1 . 1 1 39 39 GLY CA C 39 47.152 47.152 46.258 0.894 25855 50 1 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.082 0.498 25855 51 1 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.065 0.305 25855 52 1 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.614 0.187 25855 53 1 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.256 0.085 25855 54 1 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.002 -2.769 25855 55 1 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.774 0.113 25855 56 1 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.244 1.395 25855 57 1 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.900 -0.650 25855 58 1 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.063 0.073 25855 59 1 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.115 0.488 25855 60 1 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.096 0.374 25855 61 1 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.083 -0.050 25855 62 1 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.088 -0.046 25855 63 1 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.667 0.418 25855 64 1 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.294 1.077 25855 65 1 . 1 1 49 49 SER HA H 49 4.183 4.183 4.210 -0.027 25855 66 1 . 1 1 49 49 SER CA C 49 61.932 61.932 61.902 0.030 25855 67 1 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.206 -0.047 25855 68 1 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.055 0.376 25855 69 1 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.624 0.528 25855 70 1 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.213 0.109 25855 71 1 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.798 -0.979 25855 72 1 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.290 0.235 25855 73 1 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.319 -0.555 25855 74 1 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.865 0.513 25855 75 1 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.479 -0.101 25855 76 1 . 1 1 52 52 ALA H H 52 8.465 8.465 7.984 0.481 25855 77 1 . 1 1 53 53 SER CB C 53 61.826 61.826 61.101 0.725 25855 78 1 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.777 0.155 25855 79 1 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.846 -1.713 25855 80 1 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.472 0.926 25855 81 1 . 1 1 55 55 SER HA H 55 4.766 4.766 4.805 -0.039 25855 82 1 . 1 1 55 55 SER CB C 55 63.541 63.541 63.622 -0.081 25855 83 1 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.856 0.136 25855 84 1 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.763 0.428 25855 85 1 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.948 0.562 25855 86 1 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.673 0.081 25855 87 1 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.538 0.117 25855 88 1 . 1 1 57 57 LYS CB C 57 36.326 36.326 34.507 1.819 25855 89 1 . 1 1 57 57 LYS H H 57 8.732 8.732 8.319 0.414 25855 90 1 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.595 0.116 25855 91 1 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.835 0.762 25855 92 1 . 1 1 58 58 ILE CB C 58 37.464 37.464 39.392 -1.928 25855 93 1 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.716 -0.208 25855 94 1 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.537 2.151 25855 95 1 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.526 -0.167 25855 96 1 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.153 -0.114 25855 97 1 . 1 1 62 62 GLU CA C 62 58.958 58.958 57.822 1.136 25855 98 1 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.016 0.414 25855 99 1 . 1 1 63 63 THR HA H 63 4.786 4.786 4.646 0.140 25855 100 1 . 1 1 63 63 THR CA C 63 58.498 58.498 59.553 -1.055 25855 101 1 . 1 1 63 63 THR CB C 63 69.943 69.943 69.563 0.380 25855 102 1 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.374 -0.085 25855 103 1 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.165 0.568 25855 104 1 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.709 -0.036 25855 105 1 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.651 -0.011 25855 106 1 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.387 -1.528 25855 107 1 . 1 1 65 65 ASP CB C 65 40.460 40.460 39.918 0.542 25855 108 1 . 1 1 65 65 ASP H H 65 7.985 7.985 8.154 -0.169 25855 109 1 . 1 1 66 66 SER CB C 66 63.942 63.942 63.218 0.724 25855 110 1 . 1 1 66 66 SER H H 66 7.515 7.515 7.795 -0.280 25855 111 1 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.266 0.077 25855 112 1 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.544 -0.302 25855 113 1 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.796 0.007 25855 114 1 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.894 0.299 25855 115 1 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.395 -0.424 25855 116 1 . 1 1 68 68 VAL CB C 68 36.216 36.216 35.134 1.082 25855 117 1 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.755 -0.063 25855 118 1 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.187 -1.913 25855 119 1 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.220 -0.459 25855 120 1 . 1 1 70 70 MET HA H 70 3.798 3.798 4.907 -1.109 25855 121 1 . 1 1 70 70 MET CA C 70 55.444 55.444 54.492 0.952 25855 122 1 . 1 1 70 70 MET CB C 70 36.034 36.034 33.811 2.223 25855 123 1 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.803 -0.491 25855 124 1 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.837 1.060 25855 125 1 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.266 0.396 25855 126 1 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.550 0.216 25855 127 1 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.692 -0.228 25855 128 1 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.533 0.400 25855 129 1 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.733 2.057 25855 130 1 . 1 1 73 73 ILE CB C 73 40.101 40.101 36.980 3.121 25855 131 1 . 1 1 73 73 ILE H H 73 8.981 8.981 8.849 0.132 25855 132 1 . 1 1 74 74 THR HA H 74 5.630 5.630 5.147 0.483 25855 133 1 . 1 1 74 74 THR CA C 74 60.813 60.813 61.426 -0.613 25855 134 1 . 1 1 74 74 THR CB C 74 70.966 70.966 70.038 0.928 25855 135 1 . 1 1 74 74 THR H H 74 9.227 9.227 8.533 0.694 25855 136 1 . 1 1 75 75 GLY CA C 75 45.032 45.032 45.488 -0.456 25855 137 1 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.948 0.221 25855 138 1 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.152 1.296 25855 139 1 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.998 -0.431 25855 140 1 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.234 -0.274 25855 141 1 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.574 1.512 25855 142 1 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.091 0.045 25855 143 1 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.571 0.328 25855 144 1 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.641 0.389 25855 145 1 . 1 1 78 78 GLU H H 78 9.555 9.555 8.820 0.735 25855 146 1 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.272 0.097 25855 147 1 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.740 -0.467 25855 148 1 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.468 1.661 25855 149 1 . 1 1 79 79 ALA H H 79 7.018 7.018 7.874 -0.856 25855 150 1 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.020 -0.238 25855 151 1 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.808 -0.667 25855 152 1 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.365 -0.261 25855 153 1 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.951 0.458 25855 154 1 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.988 0.542 25855 155 1 . 1 1 81 81 PHE H H 81 8.005 8.005 8.235 -0.230 25855 156 1 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.977 0.020 25855 157 1 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.566 0.445 25855 158 1 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.099 -0.162 25855 159 1 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.222 0.017 25855 160 1 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.212 0.815 25855 161 1 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.586 0.840 25855 162 1 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.131 0.024 25855 163 1 . 1 1 86 86 ARG CA C 86 57.053 57.053 58.477 -1.424 25855 164 1 . 1 1 86 86 ARG CB C 86 30.173 30.173 30.079 0.094 25855 165 1 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.703 -0.219 25855 166 1 . 1 1 87 87 ILE CA C 87 65.702 65.702 65.027 0.675 25855 167 1 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.515 -0.133 25855 168 1 . 1 1 87 87 ILE H H 87 7.681 7.681 7.878 -0.197 25855 169 1 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.172 -0.374 25855 170 1 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.700 1.287 25855 171 1 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.858 0.246 25855 172 1 . 1 1 88 88 TYR H H 88 8.021 8.021 8.392 -0.371 25855 173 1 . 1 1 89 89 GLY H H 89 8.005 8.005 8.353 -0.348 25855 174 1 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.210 -0.033 25855 175 1 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.408 -0.990 25855 176 1 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.071 -0.681 25855 177 1 . 1 1 91 91 LEU HA H 91 4.138 4.138 3.892 0.246 25855 178 1 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.951 -0.146 25855 179 1 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.126 -0.393 25855 180 1 . 1 1 91 91 LEU H H 91 7.545 7.545 7.968 -0.424 25855 181 1 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.171 0.145 25855 182 1 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.156 -0.391 25855 183 1 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.316 -0.182 25855 184 1 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.142 -0.057 25855 185 1 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.261 0.677 25855 186 1 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.193 0.066 25855 187 1 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.355 0.039 25855 188 1 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.363 0.172 25855 189 1 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.389 0.119 25855 190 1 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.310 1.189 25855 191 1 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.763 0.291 25855 192 1 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.160 -0.004 25855 193 1 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.565 1.065 25855 194 1 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.265 -0.792 25855 195 1 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.907 -0.356 25855 196 1 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.706 0.386 25855 197 1 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.756 1.316 25855 198 1 . 1 1 98 98 GLY CA C 98 44.746 44.746 46.100 -1.354 25855 199 1 . 1 1 98 98 GLY H H 98 8.539 8.539 8.521 0.017 25855 200 1 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.396 -0.018 25855 201 1 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.528 0.412 25855 202 1 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.704 0.287 25855 203 1 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.429 -0.070 25855 204 1 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.387 -0.481 25855 205 1 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.896 -0.905 25855 206 1 . 1 1 100 100 LYS H H 100 8.622 8.622 8.268 0.354 25855 207 1 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.419 -0.031 25855 208 1 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.066 -0.160 25855 209 1 . 1 1 101 101 GLU CB C 101 32.523 32.523 31.152 1.370 25855 210 1 . 1 1 101 101 GLU H H 101 7.569 7.569 7.806 -0.237 25855 211 1 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.335 -0.039 25855 212 1 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.234 0.141 25855 213 1 . 1 1 102 102 GLU CB C 102 30.397 30.397 31.183 -0.786 25855 214 1 . 1 1 102 102 GLU H H 102 8.440 8.440 8.358 0.082 25855 215 1 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.765 -0.997 25855 216 1 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.067 1.279 25855 217 1 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.495 -0.504 25855 218 1 . 1 1 103 103 VAL H H 103 8.552 8.552 8.144 0.408 25855 219 1 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.796 -0.181 25855 220 1 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.764 0.611 25855 221 1 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.398 2.782 25855 222 1 . 1 1 104 104 LYS H H 104 6.924 6.924 7.861 -0.937 25855 223 1 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.792 0.119 25855 224 1 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.398 -0.681 25855 225 1 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.637 -0.360 25855 226 1 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.977 -0.069 25855 227 1 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.737 2.318 25855 228 1 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.250 0.820 25855 229 1 . 1 1 106 106 GLU H H 106 8.982 8.982 8.544 0.438 25855 230 1 . 1 1 107 107 THR HA H 107 5.524 5.524 4.673 0.851 25855 231 1 . 1 1 107 107 THR CA C 107 61.220 61.220 62.702 -1.482 25855 232 1 . 1 1 107 107 THR CB C 107 71.849 71.849 69.434 2.415 25855 233 1 . 1 1 107 107 THR H H 107 9.357 9.357 8.677 0.680 25855 234 1 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.364 0.697 25855 235 1 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.865 -1.616 25855 236 1 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.137 4.043 25855 237 1 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.706 -0.066 25855 238 1 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.785 0.310 25855 239 1 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.455 -0.429 25855 240 1 . 1 1 109 109 ILE H H 109 8.818 8.818 8.606 0.212 25855 241 1 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.067 0.167 25855 242 1 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.736 0.107 25855 243 1 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.924 2.067 25855 244 1 . 1 1 110 110 ARG H H 110 8.568 8.568 8.598 -0.030 25855 245 1 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.727 0.147 25855 246 1 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.922 -0.953 25855 247 1 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.553 -0.967 25855 248 1 . 1 1 111 111 VAL H H 111 8.935 8.935 8.383 0.552 25855 249 1 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.750 -0.251 25855 250 1 . 1 1 112 112 PRO CA C 112 63.346 63.346 62.757 0.589 25855 251 1 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.310 0.681 25855 252 1 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.038 -0.128 25855 253 1 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.972 0.934 25855 254 1 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.584 -0.410 25855 255 1 . 1 1 113 113 ALA H H 113 9.220 9.220 9.074 0.146 25855 256 1 . 1 1 114 114 SER HA H 114 4.210 4.210 4.224 -0.014 25855 257 1 . 1 1 114 114 SER CA C 114 60.157 60.157 60.258 -0.100 25855 258 1 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.581 -0.096 25855 259 1 . 1 1 115 115 ALA CA C 115 52.186 52.186 51.707 0.479 25855 260 1 . 1 1 115 115 ALA CB C 115 20.299 20.299 19.317 0.982 25855 261 1 . 1 1 115 115 ALA H H 115 7.752 7.752 7.853 -0.101 25855 262 1 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.041 -0.454 25855 263 1 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.387 -0.012 25855 264 1 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.503 -0.330 25855 265 1 . 1 1 116 116 ALA H H 116 7.429 7.429 7.576 -0.147 25855 266 1 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.797 0.543 25855 267 1 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.322 -0.145 25855 268 1 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.248 0.148 25855 269 1 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.810 -0.158 25855 270 1 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.549 -0.609 25855 271 1 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.753 0.238 25855 272 1 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.157 -0.330 25855 273 1 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.971 1.460 25855 274 1 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.799 -1.737 25855 275 1 . 1 1 121 121 GLY H H 121 7.924 7.924 7.585 0.340 25855 276 1 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.110 0.037 25855 277 1 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.668 0.251 25855 278 1 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.425 0.063 25855 279 1 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.637 -1.262 25855 280 1 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.504 -0.136 25855 281 1 . 1 1 128 128 ASN H H 128 8.050 8.050 7.902 0.148 25855 282 1 . 1 1 129 129 GLU H H 129 8.138 8.138 8.158 -0.020 25855 283 1 . 1 1 130 130 LEU HA H 130 4.060 4.060 4.162 -0.102 25855 284 1 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.899 0.189 25855 285 1 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.085 0.209 25855 286 1 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.143 -0.048 25855 287 1 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.609 0.672 25855 288 1 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.481 -0.210 25855 289 1 . 1 1 133 133 LEU CB C 133 43.151 43.151 43.030 0.121 25855 290 1 . 1 1 134 134 THR HA H 134 4.324 4.324 4.439 -0.115 25855 291 1 . 1 1 134 134 THR CA C 134 61.752 61.752 62.363 -0.612 25855 292 1 . 1 1 134 134 THR CB C 134 70.047 70.047 70.317 -0.270 25855 293 1 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.074 0.033 25855 294 1 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.620 1.160 25855 295 1 . 1 1 135 135 ALA CB C 135 18.174 18.174 17.036 1.138 25855 296 1 . 1 1 135 135 ALA H H 135 8.013 8.013 7.591 0.422 25855 297 1 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.709 -0.170 25855 298 1 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.781 0.342 25855 299 1 . 1 1 136 136 ALA CB C 136 19.768 19.768 20.336 -0.568 25855 300 1 . 1 1 136 136 ALA H H 136 8.011 8.011 7.719 0.292 25855 301 1 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.517 -0.086 25855 302 1 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.543 4.700 25855 303 1 . 1 1 137 137 GLU H H 137 8.439 8.439 8.624 -0.185 25855 304 1 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.713 0.169 25855 305 1 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.440 -0.220 25855 306 1 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.402 1.183 25855 307 1 . 1 1 138 138 VAL H H 138 8.280 8.280 8.493 -0.213 25855 308 1 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.400 -0.179 25855 309 1 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.907 -0.218 25855 310 1 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.818 2.426 25855 311 1 . 1 1 139 139 VAL H H 139 9.055 9.055 9.042 0.013 25855 312 1 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.625 -0.003 25855 313 1 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.119 0.444 25855 314 1 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.401 -0.410 25855 315 1 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.466 -0.237 25855 316 1 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.867 0.479 25855 317 1 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.008 -0.548 25855 318 1 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.181 0.053 25855 319 1 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.588 -0.151 25855 320 1 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.203 0.725 25855 321 1 . 1 1 142 142 ARG H H 142 8.499 8.499 8.322 0.177 25855 322 1 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.357 0.053 25855 323 1 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.358 -1.046 25855 324 1 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.419 -0.988 25855 325 1 . 1 1 143 143 ASP H H 143 8.691 8.691 8.525 0.166 25855 326 1 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.275 0.090 25855 327 1 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.573 -1.517 25855 328 1 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.505 1.564 25855 329 1 . 1 1 144 144 GLN H H 144 7.898 7.898 8.244 -0.346 25855 330 1 . 1 1 145 145 THR HA H 145 4.619 4.619 4.610 0.009 25855 331 1 . 1 1 145 145 THR CA C 145 59.626 59.626 59.661 -0.035 25855 332 1 . 1 1 145 145 THR CB C 145 70.255 70.255 68.904 1.351 25855 333 1 . 1 1 145 145 THR H H 145 8.695 8.695 8.214 0.481 25855 334 1 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.558 -0.218 25855 335 1 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.526 0.289 25855 336 1 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.605 -0.056 25855 337 1 . 1 1 147 147 ASP CA C 147 52.717 52.717 53.794 -1.077 25855 338 1 . 1 1 147 147 ASP CB C 147 41.026 41.026 42.383 -1.357 25855 339 1 . 1 1 147 147 ASP H H 147 8.506 8.506 8.367 0.139 25855 340 1 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.034 0.137 25855 341 1 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.949 -0.386 25855 342 1 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.388 -1.117 25855 343 1 . 1 1 148 148 GLU H H 148 9.159 9.159 8.743 0.416 25855 344 1 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.786 0.150 25855 345 1 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.764 -0.047 25855 346 1 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.374 1.057 25855 347 1 . 1 1 149 149 ASN H H 149 8.364 8.364 8.090 0.274 25855 348 1 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.922 -0.151 25855 349 1 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.586 -0.085 25855 350 1 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.237 0.613 25855 351 1 . 1 1 150 150 GLU H H 150 8.542 8.542 7.994 0.548 25855 352 1 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.238 -0.217 25855 353 1 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.447 0.396 25855 354 1 . 1 1 151 151 GLN CB C 151 31.069 31.069 31.958 -0.889 25855 355 1 . 1 1 151 151 GLN H H 151 8.441 8.441 7.779 0.661 25855 356 1 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.568 0.014 25855 357 1 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.431 -0.868 25855 358 1 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.114 -0.997 25855 359 1 . 1 1 152 152 VAL H H 152 8.999 8.999 8.917 0.083 25855 360 1 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.916 -0.288 25855 361 1 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.101 2.119 25855 362 1 . 1 1 153 153 ILE CB C 153 40.494 40.494 37.995 2.499 25855 363 1 . 1 1 153 153 ILE H H 153 8.972 8.972 8.269 0.703 25855 364 1 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.730 -0.496 25855 365 1 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.863 1.889 25855 366 1 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.451 -0.866 25855 367 1 . 1 1 154 154 VAL H H 154 8.557 8.557 8.366 0.191 25855 368 1 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.472 -0.318 25855 369 1 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.038 0.805 25855 370 1 . 1 1 155 155 LYS CB C 155 34.648 34.648 35.310 -0.662 25855 371 1 . 1 1 155 155 LYS H H 155 8.951 8.951 8.857 0.094 25855 372 1 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.097 -0.062 25855 373 1 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.016 0.141 25855 374 1 . 1 1 156 156 ILE CB C 156 41.557 41.557 40.069 1.488 25855 375 1 . 1 1 156 156 ILE H H 156 9.538 9.538 8.630 0.908 25855 376 1 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.504 -0.403 25855 377 1 . 1 1 157 157 ILE CA C 157 60.689 60.689 58.438 2.251 25855 378 1 . 1 1 157 157 ILE CB C 157 40.494 40.494 37.643 2.851 25855 379 1 . 1 1 157 157 ILE H H 157 9.468 9.468 8.837 0.631 25855 380 1 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.444 0.365 25855 381 1 . 1 1 158 158 GLY H H 158 8.236 8.236 7.979 0.257 25855 382 1 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.781 0.764 25855 383 1 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.690 1.685 25855 384 1 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.528 -1.068 25855 385 1 . 1 1 159 159 HIS H H 159 7.986 7.986 8.150 -0.164 25855 386 1 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.852 -0.666 25855 387 1 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.453 0.830 25855 388 1 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.639 -0.271 25855 389 1 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.040 -0.600 25855 390 1 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.399 0.884 25855 391 1 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.831 0.006 25855 392 1 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.871 0.181 25855 393 1 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.868 -0.025 25855 394 1 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.932 0.773 25855 395 1 . 1 1 162 162 ALA H H 162 7.458 7.458 8.231 -0.772 25855 396 1 . 1 1 163 163 SER HA H 163 3.832 3.832 4.002 -0.170 25855 397 1 . 1 1 163 163 SER CA C 163 60.050 60.050 61.982 -1.932 25855 398 1 . 1 1 163 163 SER CB C 163 63.346 63.346 62.974 0.371 25855 399 1 . 1 1 163 163 SER H H 163 8.403 8.403 8.319 0.084 25855 400 1 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.118 -0.508 25855 401 1 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.500 0.063 25855 402 1 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.285 -21.691 25855 403 1 . 1 1 165 165 MET HA H 165 4.048 4.048 4.019 0.029 25855 404 1 . 1 1 165 165 MET CA C 165 58.563 58.563 57.935 0.628 25855 405 1 . 1 1 165 165 MET CB C 165 31.991 31.991 32.082 -0.091 25855 406 1 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.864 0.054 25855 407 1 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.148 -0.072 25855 408 1 . 1 1 166 166 ALA H H 166 8.208 8.208 8.332 -0.124 25855 409 1 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.934 -0.306 25855 410 1 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.193 0.964 25855 411 1 . 1 1 167 167 GLN H H 167 8.393 8.393 8.451 -0.058 25855 412 1 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.013 -0.123 25855 413 1 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.307 -6.271 25855 414 1 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.017 -0.152 25855 415 1 . 1 1 168 168 ARG H H 168 8.220 8.220 7.992 0.228 25855 416 1 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.068 0.065 25855 417 1 . 1 1 169 169 LYS CA C 169 58.563 58.563 59.093 -0.530 25855 418 1 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.067 -0.076 25855 419 1 . 1 1 169 169 LYS H H 169 8.042 8.042 7.911 0.131 25855 420 1 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.756 -0.226 25855 421 1 . 1 1 170 170 ILE CA C 170 65.472 65.472 65.111 0.361 25855 422 1 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.628 -0.855 25855 423 1 . 1 1 170 170 ILE H H 170 8.190 8.190 8.373 -0.182 25855 424 1 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.965 -0.098 25855 425 1 . 1 1 171 171 ARG CA C 171 60.051 60.051 59.179 0.872 25855 426 1 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.363 -0.029 25855 427 1 . 1 1 171 171 ARG H H 171 7.984 7.984 8.181 -0.197 25855 428 1 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.437 -0.008 25855 429 1 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.398 0.102 25855 430 1 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.702 -0.208 25855 431 1 . 1 1 172 172 ASP H H 172 7.993 7.993 7.961 0.032 25855 432 1 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.663 -0.013 25855 433 1 . 1 1 173 173 ILE CA C 173 65.472 65.472 65.204 0.268 25855 434 1 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.874 0.494 25855 435 1 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.828 0.067 25855 436 1 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.174 -0.675 25855 437 1 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.626 -0.600 25855 438 1 . 1 1 174 174 LEU H H 174 8.270 8.270 8.304 -0.034 25855 439 1 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.866 0.278 25855 440 1 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.219 -1.163 25855 441 1 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.076 0.629 25855 442 1 . 1 1 175 175 ALA H H 175 7.960 7.960 8.186 -0.226 25855 443 1 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.069 0.024 25855 444 1 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.806 -0.752 25855 445 1 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.606 0.465 25855 446 1 . 1 1 176 176 GLN H H 176 7.696 7.696 7.892 -0.196 25855 447 1 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.741 0.084 25855 448 1 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.248 -2.197 25855 449 1 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.159 0.909 25855 450 1 . 1 1 177 177 VAL H H 177 7.850 7.850 8.179 -0.329 25855 451 1 . 1 1 179 179 GLN H H 179 7.862 7.862 8.249 -0.388 25855 stop_ save_