data_25854 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25854 _Entry.PDB_ID 2N8L 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 25854 _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 7.716 0.436 25854 2 1 1 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.410 0.166 25854 3 1 1 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.348 -1.243 25854 4 1 1 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.302 2.129 25854 5 1 1 . 1 1 23 23 GLU H H 23 7.926 7.926 8.708 -0.782 25854 6 1 1 . 1 1 24 24 THR HA H 24 5.298 5.298 5.689 -0.391 25854 7 1 1 . 1 1 24 24 THR CA C 24 62.286 62.286 61.004 1.282 25854 8 1 1 . 1 1 24 24 THR CB C 24 70.759 70.759 70.273 0.486 25854 9 1 1 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.719 -0.284 25854 10 1 1 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.694 0.927 25854 11 1 1 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.784 0.239 25854 12 1 1 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.207 0.333 25854 13 1 1 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.889 -1.747 25854 14 1 1 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.166 0.551 25854 15 1 1 . 1 1 27 27 VAL CA C 27 60.635 60.635 62.050 -1.415 25854 16 1 1 . 1 1 27 27 VAL CB C 27 35.238 35.238 32.764 2.474 25854 17 1 1 . 1 1 27 27 VAL H H 27 9.339 9.339 8.907 0.432 25854 18 1 1 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.477 0.434 25854 19 1 1 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.713 0.012 25854 20 1 1 . 1 1 28 28 PHE CB C 28 38.909 38.909 38.937 -0.028 25854 21 1 1 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.680 0.206 25854 22 1 1 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.894 0.220 25854 23 1 1 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.996 -1.081 25854 24 1 1 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.292 0.216 25854 25 1 1 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.831 0.078 25854 26 1 1 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.817 0.024 25854 27 1 1 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.900 -0.307 25854 28 1 1 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.710 0.786 25854 29 1 1 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.712 -0.641 25854 30 1 1 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.062 0.121 25854 31 1 1 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.637 -0.296 25854 32 1 1 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.199 -0.332 25854 33 1 1 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.578 -0.620 25854 34 1 1 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.617 -1.200 25854 35 1 1 . 1 1 33 33 ALA CB C 33 19.084 19.084 21.114 -2.030 25854 36 1 1 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.613 -0.727 25854 37 1 1 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.408 1.934 25854 38 1 1 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.393 0.129 25854 39 1 1 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.250 -0.351 25854 40 1 1 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.210 -1.217 25854 41 1 1 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.659 -0.421 25854 42 1 1 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.685 -0.438 25854 43 1 1 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.827 -0.376 25854 44 1 1 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.410 -1.893 25854 45 1 1 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.076 -1.766 25854 46 1 1 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.670 0.219 25854 47 1 1 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.961 0.621 25854 48 1 1 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.543 0.297 25854 49 1 1 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.469 2.683 25854 50 1 1 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.842 0.738 25854 51 1 1 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.044 1.326 25854 52 1 1 . 1 1 41 41 LYS CB C 41 32.800 32.800 31.623 1.177 25854 53 1 1 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.461 -0.119 25854 54 1 1 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.079 -1.846 25854 55 1 1 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.625 0.263 25854 56 1 1 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.507 1.131 25854 57 1 1 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.632 -0.382 25854 58 1 1 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.020 0.116 25854 59 1 1 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.148 1.455 25854 60 1 1 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.943 0.527 25854 61 1 1 . 1 1 47 47 GLN HA H 47 4.034 4.034 3.958 0.076 25854 62 1 1 . 1 1 48 48 LEU HA H 48 4.042 4.042 1.753 2.289 25854 63 1 1 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.073 1.012 25854 64 1 1 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.680 0.691 25854 65 1 1 . 1 1 49 49 SER HA H 49 4.183 4.183 4.148 0.035 25854 66 1 1 . 1 1 49 49 SER CA C 49 61.932 61.932 61.343 0.589 25854 67 1 1 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.134 0.025 25854 68 1 1 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.667 -0.236 25854 69 1 1 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.434 -0.282 25854 70 1 1 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.567 -0.245 25854 71 1 1 . 1 1 51 51 PHE CA C 51 59.819 59.819 57.848 1.971 25854 72 1 1 . 1 1 51 51 PHE CB C 51 39.525 39.525 37.877 1.648 25854 73 1 1 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.465 -0.702 25854 74 1 1 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.586 -0.208 25854 75 1 1 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.422 -0.044 25854 76 1 1 . 1 1 52 52 ALA H H 52 8.465 8.465 7.779 0.686 25854 77 1 1 . 1 1 53 53 SER CB C 53 61.826 61.826 61.158 0.668 25854 78 1 1 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.588 0.344 25854 79 1 1 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.621 -1.488 25854 80 1 1 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.916 1.482 25854 81 1 1 . 1 1 55 55 SER HA H 55 4.766 4.766 4.696 0.070 25854 82 1 1 . 1 1 55 55 SER CB C 55 63.541 63.541 63.200 0.341 25854 83 1 1 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.317 0.675 25854 84 1 1 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.652 -0.461 25854 85 1 1 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.443 2.068 25854 86 1 1 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.798 -0.044 25854 87 1 1 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.499 0.156 25854 88 1 1 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.399 -0.073 25854 89 1 1 . 1 1 57 57 LYS H H 57 8.732 8.732 8.248 0.484 25854 90 1 1 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.181 0.530 25854 91 1 1 . 1 1 58 58 ILE CA C 58 60.597 60.597 58.705 1.892 25854 92 1 1 . 1 1 58 58 ILE CB C 58 37.464 37.464 36.978 0.486 25854 93 1 1 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.488 0.020 25854 94 1 1 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.923 1.765 25854 95 1 1 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.525 -0.166 25854 96 1 1 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.182 -0.143 25854 97 1 1 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.014 0.944 25854 98 1 1 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.037 0.393 25854 99 1 1 . 1 1 63 63 THR HA H 63 4.786 4.786 4.827 -0.041 25854 100 1 1 . 1 1 63 63 THR CA C 63 58.498 58.498 58.560 -0.062 25854 101 1 1 . 1 1 63 63 THR CB C 63 69.943 69.943 70.966 -1.023 25854 102 1 1 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.441 -0.152 25854 103 1 1 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.073 0.660 25854 104 1 1 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.753 -0.080 25854 105 1 1 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.730 -0.090 25854 106 1 1 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.742 -0.883 25854 107 1 1 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.813 -0.353 25854 108 1 1 . 1 1 65 65 ASP H H 65 7.985 7.985 8.320 -0.335 25854 109 1 1 . 1 1 66 66 SER CB C 66 63.942 63.942 63.908 0.034 25854 110 1 1 . 1 1 66 66 SER H H 66 7.515 7.515 7.780 -0.265 25854 111 1 1 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.508 -0.165 25854 112 1 1 . 1 1 67 67 LYS CA C 67 57.242 57.242 55.639 1.603 25854 113 1 1 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.726 0.077 25854 114 1 1 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.234 0.959 25854 115 1 1 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.442 -1.470 25854 116 1 1 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.127 2.089 25854 117 1 1 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.569 0.123 25854 118 1 1 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.502 -2.229 25854 119 1 1 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.548 -0.787 25854 120 1 1 . 1 1 70 70 MET HA H 70 3.798 3.798 5.148 -1.350 25854 121 1 1 . 1 1 70 70 MET CA C 70 55.444 55.444 53.835 1.609 25854 122 1 1 . 1 1 70 70 MET CB C 70 36.034 36.034 34.087 1.947 25854 123 1 1 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.198 0.114 25854 124 1 1 . 1 1 71 71 VAL CA C 71 60.897 60.897 62.638 -1.740 25854 125 1 1 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.265 0.397 25854 126 1 1 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.689 0.077 25854 127 1 1 . 1 1 72 72 VAL CB C 72 31.464 31.464 30.794 0.670 25854 128 1 1 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.671 0.262 25854 129 1 1 . 1 1 73 73 ILE CA C 73 60.790 60.790 59.363 1.427 25854 130 1 1 . 1 1 73 73 ILE CB C 73 40.101 40.101 39.820 0.281 25854 131 1 1 . 1 1 73 73 ILE H H 73 8.981 8.981 8.536 0.445 25854 132 1 1 . 1 1 74 74 THR HA H 74 5.630 5.630 5.299 0.331 25854 133 1 1 . 1 1 74 74 THR CA C 74 60.813 60.813 61.181 -0.368 25854 134 1 1 . 1 1 74 74 THR CB C 74 70.966 70.966 69.251 1.715 25854 135 1 1 . 1 1 74 74 THR H H 74 9.227 9.227 9.040 0.187 25854 136 1 1 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.213 0.819 25854 137 1 1 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.885 0.284 25854 138 1 1 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.556 0.892 25854 139 1 1 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.911 -0.344 25854 140 1 1 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.512 -0.552 25854 141 1 1 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.562 1.524 25854 142 1 1 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.125 0.010 25854 143 1 1 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.554 0.345 25854 144 1 1 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.904 0.126 25854 145 1 1 . 1 1 78 78 GLU H H 78 9.555 9.555 8.901 0.654 25854 146 1 1 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.223 0.146 25854 147 1 1 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.881 -0.608 25854 148 1 1 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.625 1.504 25854 149 1 1 . 1 1 79 79 ALA H H 79 7.018 7.018 8.141 -1.123 25854 150 1 1 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.017 -0.235 25854 151 1 1 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.634 -0.493 25854 152 1 1 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.160 -0.056 25854 153 1 1 . 1 1 81 81 PHE CA C 81 61.409 61.409 62.265 -0.856 25854 154 1 1 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.023 0.506 25854 155 1 1 . 1 1 81 81 PHE H H 81 8.005 8.005 8.129 -0.124 25854 156 1 1 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.937 0.060 25854 157 1 1 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.389 0.622 25854 158 1 1 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.052 -0.115 25854 159 1 1 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.232 0.007 25854 160 1 1 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.060 0.967 25854 161 1 1 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.411 1.015 25854 162 1 1 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.201 -0.046 25854 163 1 1 . 1 1 86 86 ARG CA C 86 57.053 57.053 56.721 0.332 25854 164 1 1 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.605 0.568 25854 165 1 1 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.832 -0.348 25854 166 1 1 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.899 1.803 25854 167 1 1 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.432 -0.050 25854 168 1 1 . 1 1 87 87 ILE H H 87 7.681 7.681 7.894 -0.213 25854 169 1 1 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.208 -0.410 25854 170 1 1 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.496 1.491 25854 171 1 1 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.531 0.573 25854 172 1 1 . 1 1 88 88 TYR H H 88 8.021 8.021 8.753 -0.732 25854 173 1 1 . 1 1 89 89 GLY H H 89 8.005 8.005 7.803 0.202 25854 174 1 1 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.245 -0.068 25854 175 1 1 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.015 -0.597 25854 176 1 1 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.035 -0.645 25854 177 1 1 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.242 -0.104 25854 178 1 1 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.046 -0.241 25854 179 1 1 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.194 -0.461 25854 180 1 1 . 1 1 91 91 LEU H H 91 7.545 7.545 7.585 -0.040 25854 181 1 1 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.430 -0.114 25854 182 1 1 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.057 -0.292 25854 183 1 1 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.234 -0.100 25854 184 1 1 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.159 -0.074 25854 185 1 1 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.729 0.209 25854 186 1 1 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.225 0.034 25854 187 1 1 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.634 -0.240 25854 188 1 1 . 1 1 94 94 GLU CB C 94 29.535 29.535 30.048 -0.513 25854 189 1 1 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.179 0.329 25854 190 1 1 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.230 1.269 25854 191 1 1 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.215 0.839 25854 192 1 1 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.141 0.016 25854 193 1 1 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.046 0.584 25854 194 1 1 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.046 -0.573 25854 195 1 1 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.488 0.063 25854 196 1 1 . 1 1 97 97 PHE CA C 97 57.092 57.092 58.643 -1.551 25854 197 1 1 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.220 1.852 25854 198 1 1 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.217 0.529 25854 199 1 1 . 1 1 98 98 GLY H H 98 8.539 8.539 6.525 2.014 25854 200 1 1 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.381 -0.003 25854 201 1 1 . 1 1 99 99 PRO CA C 99 64.940 64.940 63.813 1.127 25854 202 1 1 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.303 -0.312 25854 203 1 1 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.329 0.030 25854 204 1 1 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.103 -0.197 25854 205 1 1 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.157 -0.166 25854 206 1 1 . 1 1 100 100 LYS H H 100 8.622 8.622 7.926 0.696 25854 207 1 1 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.345 0.043 25854 208 1 1 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.964 -1.058 25854 209 1 1 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.477 2.046 25854 210 1 1 . 1 1 101 101 GLU H H 101 7.569 7.569 7.935 -0.366 25854 211 1 1 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.534 -0.238 25854 212 1 1 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.642 -0.267 25854 213 1 1 . 1 1 102 102 GLU CB C 102 30.397 30.397 31.059 -0.662 25854 214 1 1 . 1 1 102 102 GLU H H 102 8.440 8.440 8.816 -0.376 25854 215 1 1 . 1 1 103 103 VAL HA H 103 2.768 2.768 2.980 -0.212 25854 216 1 1 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.531 -0.185 25854 217 1 1 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.051 -0.060 25854 218 1 1 . 1 1 103 103 VAL H H 103 8.552 8.552 8.566 -0.014 25854 219 1 1 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.726 -0.112 25854 220 1 1 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.571 0.804 25854 221 1 1 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.935 3.245 25854 222 1 1 . 1 1 104 104 LYS H H 104 6.924 6.924 7.882 -0.958 25854 223 1 1 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.704 0.207 25854 224 1 1 . 1 1 105 105 LEU CA C 105 52.717 52.717 52.986 -0.269 25854 225 1 1 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.938 0.339 25854 226 1 1 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.978 -0.070 25854 227 1 1 . 1 1 106 106 GLU CA C 106 57.055 57.055 57.170 -0.115 25854 228 1 1 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.531 1.539 25854 229 1 1 . 1 1 106 106 GLU H H 106 8.982 8.982 8.939 0.043 25854 230 1 1 . 1 1 107 107 THR HA H 107 5.524 5.524 4.800 0.724 25854 231 1 1 . 1 1 107 107 THR CA C 107 61.220 61.220 62.221 -1.001 25854 232 1 1 . 1 1 107 107 THR CB C 107 71.849 71.849 71.128 0.721 25854 233 1 1 . 1 1 107 107 THR H H 107 9.357 9.357 8.946 0.411 25854 234 1 1 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.231 0.830 25854 235 1 1 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.567 -1.318 25854 236 1 1 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.687 3.493 25854 237 1 1 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.704 -0.064 25854 238 1 1 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.421 -0.326 25854 239 1 1 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.741 0.285 25854 240 1 1 . 1 1 109 109 ILE H H 109 8.818 8.818 8.062 0.756 25854 241 1 1 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.004 0.230 25854 242 1 1 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.360 0.483 25854 243 1 1 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.668 2.323 25854 244 1 1 . 1 1 110 110 ARG H H 110 8.568 8.568 8.782 -0.214 25854 245 1 1 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.838 0.036 25854 246 1 1 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.868 -0.899 25854 247 1 1 . 1 1 111 111 VAL CB C 111 33.585 33.585 33.284 0.301 25854 248 1 1 . 1 1 111 111 VAL H H 111 8.935 8.935 8.793 0.142 25854 249 1 1 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.566 -0.067 25854 250 1 1 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.346 -0.000 25854 251 1 1 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.685 0.306 25854 252 1 1 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.957 -0.047 25854 253 1 1 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.689 0.217 25854 254 1 1 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.689 -0.516 25854 255 1 1 . 1 1 113 113 ALA H H 113 9.220 9.220 8.560 0.660 25854 256 1 1 . 1 1 114 114 SER HA H 114 4.210 4.210 4.263 -0.053 25854 257 1 1 . 1 1 114 114 SER CA C 114 60.157 60.157 59.642 0.515 25854 258 1 1 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.007 0.478 25854 259 1 1 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.600 -2.414 25854 260 1 1 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.328 1.971 25854 261 1 1 . 1 1 115 115 ALA H H 115 7.752 7.752 7.395 0.357 25854 262 1 1 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.084 -0.497 25854 263 1 1 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.866 0.509 25854 264 1 1 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.224 -0.050 25854 265 1 1 . 1 1 116 116 ALA H H 116 7.429 7.429 7.991 -0.562 25854 266 1 1 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.990 0.350 25854 267 1 1 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.297 -0.120 25854 268 1 1 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.915 -0.518 25854 269 1 1 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.766 -0.114 25854 270 1 1 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.846 0.094 25854 271 1 1 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.923 0.068 25854 272 1 1 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.878 -0.051 25854 273 1 1 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.687 1.744 25854 274 1 1 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.269 -1.207 25854 275 1 1 . 1 1 121 121 GLY H H 121 7.924 7.924 7.273 0.651 25854 276 1 1 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.221 -0.074 25854 277 1 1 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.760 0.159 25854 278 1 1 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.449 0.039 25854 279 1 1 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.361 -0.986 25854 280 1 1 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.499 -0.131 25854 281 1 1 . 1 1 128 128 ASN H H 128 8.050 8.050 7.718 0.332 25854 282 1 1 . 1 1 129 129 GLU H H 129 8.138 8.138 7.563 0.575 25854 283 1 1 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.961 0.099 25854 284 1 1 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.971 0.117 25854 285 1 1 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.041 0.253 25854 286 1 1 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.825 0.270 25854 287 1 1 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.363 0.918 25854 288 1 1 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.391 -0.120 25854 289 1 1 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.175 0.976 25854 290 1 1 . 1 1 134 134 THR HA H 134 4.324 4.324 4.169 0.155 25854 291 1 1 . 1 1 134 134 THR CA C 134 61.752 61.752 63.998 -2.247 25854 292 1 1 . 1 1 134 134 THR CB C 134 70.047 70.047 70.101 -0.054 25854 293 1 1 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.872 0.235 25854 294 1 1 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.197 0.583 25854 295 1 1 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.863 1.311 25854 296 1 1 . 1 1 135 135 ALA H H 135 8.013 8.013 7.800 0.213 25854 297 1 1 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.576 -0.037 25854 298 1 1 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.477 0.646 25854 299 1 1 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.578 -1.810 25854 300 1 1 . 1 1 136 136 ALA H H 136 8.011 8.011 7.222 0.789 25854 301 1 1 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.500 -0.069 25854 302 1 1 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.588 5.654 25854 303 1 1 . 1 1 137 137 GLU H H 137 8.439 8.439 8.722 -0.283 25854 304 1 1 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.531 0.351 25854 305 1 1 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.307 -0.087 25854 306 1 1 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.583 1.002 25854 307 1 1 . 1 1 138 138 VAL H H 138 8.280 8.280 8.473 -0.194 25854 308 1 1 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.402 -0.181 25854 309 1 1 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.337 0.352 25854 310 1 1 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.163 2.080 25854 311 1 1 . 1 1 139 139 VAL H H 139 9.055 9.055 8.437 0.618 25854 312 1 1 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.349 0.273 25854 313 1 1 . 1 1 140 140 VAL CA C 140 58.563 58.563 59.194 -0.631 25854 314 1 1 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.079 -0.088 25854 315 1 1 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.620 -0.391 25854 316 1 1 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.234 1.112 25854 317 1 1 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.941 -1.481 25854 318 1 1 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.402 -0.168 25854 319 1 1 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.027 0.410 25854 320 1 1 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.533 0.395 25854 321 1 1 . 1 1 142 142 ARG H H 142 8.499 8.499 8.499 -0.000 25854 322 1 1 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.685 -0.275 25854 323 1 1 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.770 -0.458 25854 324 1 1 . 1 1 143 143 ASP CB C 143 39.431 39.431 41.443 -2.012 25854 325 1 1 . 1 1 143 143 ASP H H 143 8.691 8.691 7.881 0.810 25854 326 1 1 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.060 0.305 25854 327 1 1 . 1 1 144 144 GLN CA C 144 55.056 55.056 57.822 -2.766 25854 328 1 1 . 1 1 144 144 GLN CB C 144 31.069 31.069 28.092 2.977 25854 329 1 1 . 1 1 144 144 GLN H H 144 7.898 7.898 8.581 -0.683 25854 330 1 1 . 1 1 145 145 THR HA H 145 4.619 4.619 4.771 -0.152 25854 331 1 1 . 1 1 145 145 THR CA C 145 59.626 59.626 59.313 0.313 25854 332 1 1 . 1 1 145 145 THR CB C 145 70.255 70.255 71.388 -1.133 25854 333 1 1 . 1 1 145 145 THR H H 145 8.695 8.695 7.886 0.809 25854 334 1 1 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.479 -0.139 25854 335 1 1 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.549 0.266 25854 336 1 1 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.332 0.217 25854 337 1 1 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.952 -3.235 25854 338 1 1 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.296 0.730 25854 339 1 1 . 1 1 147 147 ASP H H 147 8.506 8.506 8.695 -0.189 25854 340 1 1 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.095 0.075 25854 341 1 1 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.592 -0.029 25854 342 1 1 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.560 -1.289 25854 343 1 1 . 1 1 148 148 GLU H H 148 9.159 9.159 8.312 0.847 25854 344 1 1 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.761 0.175 25854 345 1 1 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.474 0.242 25854 346 1 1 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.817 0.614 25854 347 1 1 . 1 1 149 149 ASN H H 149 8.364 8.364 7.697 0.667 25854 348 1 1 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.924 -0.153 25854 349 1 1 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.864 -0.363 25854 350 1 1 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.463 0.387 25854 351 1 1 . 1 1 150 150 GLU H H 150 8.542 8.542 7.911 0.631 25854 352 1 1 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.145 -0.124 25854 353 1 1 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.960 -0.117 25854 354 1 1 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.602 -1.534 25854 355 1 1 . 1 1 151 151 GLN H H 151 8.441 8.441 7.666 0.775 25854 356 1 1 . 1 1 152 152 VAL HA H 152 4.582 4.582 5.024 -0.442 25854 357 1 1 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.038 0.525 25854 358 1 1 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.456 -1.339 25854 359 1 1 . 1 1 152 152 VAL H H 152 8.999 8.999 9.258 -0.259 25854 360 1 1 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.113 -0.485 25854 361 1 1 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.515 1.705 25854 362 1 1 . 1 1 153 153 ILE CB C 153 40.494 40.494 41.064 -0.570 25854 363 1 1 . 1 1 153 153 ILE H H 153 8.972 8.972 8.062 0.910 25854 364 1 1 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.305 -0.071 25854 365 1 1 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.705 2.047 25854 366 1 1 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.783 -2.199 25854 367 1 1 . 1 1 154 154 VAL H H 154 8.557 8.557 8.377 0.180 25854 368 1 1 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.580 0.574 25854 369 1 1 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.556 0.287 25854 370 1 1 . 1 1 155 155 LYS CB C 155 34.648 34.648 32.989 1.659 25854 371 1 1 . 1 1 155 155 LYS H H 155 8.951 8.951 7.880 1.071 25854 372 1 1 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.083 -0.048 25854 373 1 1 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.226 -0.069 25854 374 1 1 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.576 1.981 25854 375 1 1 . 1 1 156 156 ILE H H 156 9.538 9.538 8.678 0.860 25854 376 1 1 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.511 0.590 25854 377 1 1 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.630 1.059 25854 378 1 1 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.690 -0.196 25854 379 1 1 . 1 1 157 157 ILE H H 157 9.468 9.468 8.574 0.894 25854 380 1 1 . 1 1 158 158 GLY CA C 158 45.809 45.809 44.954 0.855 25854 381 1 1 . 1 1 158 158 GLY H H 158 8.236 8.236 8.255 -0.019 25854 382 1 1 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.234 0.311 25854 383 1 1 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.559 0.816 25854 384 1 1 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.312 0.148 25854 385 1 1 . 1 1 159 159 HIS H H 159 7.986 7.986 8.085 -0.099 25854 386 1 1 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.472 -0.286 25854 387 1 1 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.308 0.975 25854 388 1 1 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.465 0.903 25854 389 1 1 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.016 -0.576 25854 390 1 1 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.453 0.830 25854 391 1 1 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.772 1.065 25854 392 1 1 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.206 -0.154 25854 393 1 1 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.266 0.577 25854 394 1 1 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.308 0.397 25854 395 1 1 . 1 1 162 162 ALA H H 162 7.458 7.458 8.224 -0.766 25854 396 1 1 . 1 1 163 163 SER HA H 163 3.832 3.832 3.952 -0.120 25854 397 1 1 . 1 1 163 163 SER CA C 163 60.050 60.050 62.285 -2.236 25854 398 1 1 . 1 1 163 163 SER CB C 163 63.346 63.346 63.115 0.231 25854 399 1 1 . 1 1 163 163 SER H H 163 8.403 8.403 8.477 -0.074 25854 400 1 1 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.262 -0.652 25854 401 1 1 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.790 -0.227 25854 402 1 1 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.827 -22.233 25854 403 1 1 . 1 1 165 165 MET HA H 165 4.048 4.048 4.224 -0.176 25854 404 1 1 . 1 1 165 165 MET CA C 165 58.563 58.563 58.251 0.312 25854 405 1 1 . 1 1 165 165 MET CB C 165 31.991 31.991 32.794 -0.803 25854 406 1 1 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.945 -0.027 25854 407 1 1 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.316 -0.240 25854 408 1 1 . 1 1 166 166 ALA H H 166 8.208 8.208 8.487 -0.279 25854 409 1 1 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.905 -0.277 25854 410 1 1 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.701 0.456 25854 411 1 1 . 1 1 167 167 GLN H H 167 8.393 8.393 8.586 -0.193 25854 412 1 1 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.098 -0.208 25854 413 1 1 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.106 -6.071 25854 414 1 1 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.962 -0.097 25854 415 1 1 . 1 1 168 168 ARG H H 168 8.220 8.220 7.708 0.512 25854 416 1 1 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.175 -0.042 25854 417 1 1 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.483 0.080 25854 418 1 1 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.169 -0.178 25854 419 1 1 . 1 1 169 169 LYS H H 169 8.042 8.042 7.238 0.804 25854 420 1 1 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.718 -0.188 25854 421 1 1 . 1 1 170 170 ILE CA C 170 65.472 65.472 65.359 0.113 25854 422 1 1 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.836 -1.062 25854 423 1 1 . 1 1 170 170 ILE H H 170 8.190 8.190 8.383 -0.193 25854 424 1 1 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.032 -0.165 25854 425 1 1 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.625 1.426 25854 426 1 1 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.476 -0.142 25854 427 1 1 . 1 1 171 171 ARG H H 171 7.984 7.984 8.458 -0.474 25854 428 1 1 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.548 -0.119 25854 429 1 1 . 1 1 172 172 ASP CA C 172 57.500 57.500 56.913 0.586 25854 430 1 1 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.079 -0.585 25854 431 1 1 . 1 1 172 172 ASP H H 172 7.993 7.993 7.658 0.335 25854 432 1 1 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.856 -0.206 25854 433 1 1 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.323 1.149 25854 434 1 1 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.719 0.648 25854 435 1 1 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.868 0.027 25854 436 1 1 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.046 -0.546 25854 437 1 1 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.539 0.487 25854 438 1 1 . 1 1 174 174 LEU H H 174 8.270 8.270 7.800 0.470 25854 439 1 1 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.974 0.170 25854 440 1 1 . 1 1 175 175 ALA CA C 175 54.056 54.056 54.869 -0.813 25854 441 1 1 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.166 0.539 25854 442 1 1 . 1 1 175 175 ALA H H 175 7.960 7.960 7.777 0.183 25854 443 1 1 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.109 -0.016 25854 444 1 1 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.281 -0.227 25854 445 1 1 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.827 0.243 25854 446 1 1 . 1 1 176 176 GLN H H 176 7.696 7.696 7.451 0.245 25854 447 1 1 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.838 -0.013 25854 448 1 1 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.671 -1.620 25854 449 1 1 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.659 0.409 25854 450 1 1 . 1 1 177 177 VAL H H 177 7.850 7.850 8.368 -0.518 25854 451 1 1 . 1 1 179 179 GLN H H 179 7.862 7.862 7.942 -0.080 25854 452 1 2 . 1 1 22 22 GLN H H 22 8.152 8.152 7.703 0.449 25854 453 1 2 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.392 0.184 25854 454 1 2 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.915 -0.810 25854 455 1 2 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.145 2.286 25854 456 1 2 . 1 1 23 23 GLU H H 23 7.926 7.926 8.739 -0.813 25854 457 1 2 . 1 1 24 24 THR HA H 24 5.298 5.298 5.560 -0.262 25854 458 1 2 . 1 1 24 24 THR CA C 24 62.286 62.286 60.499 1.786 25854 459 1 2 . 1 1 24 24 THR CB C 24 70.759 70.759 70.142 0.617 25854 460 1 2 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.808 -0.373 25854 461 1 2 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.372 1.249 25854 462 1 2 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.877 0.146 25854 463 1 2 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.515 0.024 25854 464 1 2 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.057 -1.915 25854 465 1 2 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.177 0.540 25854 466 1 2 . 1 1 27 27 VAL CA C 27 60.635 60.635 62.307 -1.672 25854 467 1 2 . 1 1 27 27 VAL CB C 27 35.238 35.238 32.597 2.641 25854 468 1 2 . 1 1 27 27 VAL H H 27 9.339 9.339 9.032 0.307 25854 469 1 2 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.643 0.268 25854 470 1 2 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.232 0.493 25854 471 1 2 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.380 -0.471 25854 472 1 2 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.697 0.189 25854 473 1 2 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.962 0.152 25854 474 1 2 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.123 -1.208 25854 475 1 2 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.304 0.204 25854 476 1 2 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.731 0.178 25854 477 1 2 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.824 0.017 25854 478 1 2 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.933 -0.340 25854 479 1 2 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.724 0.772 25854 480 1 2 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.645 -0.574 25854 481 1 2 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.155 0.028 25854 482 1 2 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.824 -0.483 25854 483 1 2 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.238 -0.371 25854 484 1 2 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.628 -0.670 25854 485 1 2 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.685 -1.269 25854 486 1 2 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.829 -1.745 25854 487 1 2 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.577 -0.691 25854 488 1 2 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.659 1.683 25854 489 1 2 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.821 -0.299 25854 490 1 2 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.301 -0.402 25854 491 1 2 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.322 -1.329 25854 492 1 2 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.895 -0.657 25854 493 1 2 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.400 -0.153 25854 494 1 2 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.831 -0.380 25854 495 1 2 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.581 -2.064 25854 496 1 2 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.989 -1.679 25854 497 1 2 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.851 0.038 25854 498 1 2 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.857 0.724 25854 499 1 2 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.688 0.152 25854 500 1 2 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.387 2.765 25854 501 1 2 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.993 0.587 25854 502 1 2 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.282 0.088 25854 503 1 2 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.440 0.360 25854 504 1 2 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.268 0.074 25854 505 1 2 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.949 -2.716 25854 506 1 2 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.782 0.106 25854 507 1 2 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.687 -0.049 25854 508 1 2 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.833 -0.583 25854 509 1 2 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.175 -0.039 25854 510 1 2 . 1 1 46 46 LYS CA C 46 59.603 59.603 57.525 2.078 25854 511 1 2 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.308 1.162 25854 512 1 2 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.142 -0.108 25854 513 1 2 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.624 -0.582 25854 514 1 2 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.252 -0.167 25854 515 1 2 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.985 0.386 25854 516 1 2 . 1 1 49 49 SER HA H 49 4.183 4.183 4.231 -0.048 25854 517 1 2 . 1 1 49 49 SER CA C 49 61.932 61.932 61.569 0.363 25854 518 1 2 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.126 0.033 25854 519 1 2 . 1 1 50 50 ARG CA C 50 58.431 58.431 59.025 -0.594 25854 520 1 2 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.492 -0.340 25854 521 1 2 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.435 -0.113 25854 522 1 2 . 1 1 51 51 PHE CA C 51 59.819 59.819 59.399 0.420 25854 523 1 2 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.660 0.866 25854 524 1 2 . 1 1 52 52 ALA HA H 52 3.763 3.763 3.688 0.075 25854 525 1 2 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.432 -0.054 25854 526 1 2 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.258 1.120 25854 527 1 2 . 1 1 52 52 ALA H H 52 8.465 8.465 7.702 0.763 25854 528 1 2 . 1 1 53 53 SER CB C 53 61.826 61.826 61.392 0.434 25854 529 1 2 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.694 0.238 25854 530 1 2 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.527 -1.394 25854 531 1 2 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.064 1.334 25854 532 1 2 . 1 1 55 55 SER HA H 55 4.766 4.766 4.668 0.098 25854 533 1 2 . 1 1 55 55 SER CB C 55 63.541 63.541 62.737 0.804 25854 534 1 2 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.127 0.865 25854 535 1 2 . 1 1 56 56 ILE CA C 56 60.191 60.191 59.892 0.300 25854 536 1 2 . 1 1 56 56 ILE CB C 56 40.511 40.511 36.686 3.825 25854 537 1 2 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.650 0.104 25854 538 1 2 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.199 0.456 25854 539 1 2 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.381 -0.055 25854 540 1 2 . 1 1 57 57 LYS H H 57 8.732 8.732 8.032 0.700 25854 541 1 2 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.227 0.484 25854 542 1 2 . 1 1 58 58 ILE CA C 58 60.597 60.597 58.955 1.642 25854 543 1 2 . 1 1 58 58 ILE CB C 58 37.464 37.464 36.369 1.095 25854 544 1 2 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.464 0.044 25854 545 1 2 . 1 1 59 59 ALA CA C 59 51.688 51.688 50.225 1.463 25854 546 1 2 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.429 -0.070 25854 547 1 2 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.271 -0.232 25854 548 1 2 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.245 0.713 25854 549 1 2 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.358 1.072 25854 550 1 2 . 1 1 63 63 THR HA H 63 4.786 4.786 4.692 0.094 25854 551 1 2 . 1 1 63 63 THR CA C 63 58.498 58.498 58.643 -0.145 25854 552 1 2 . 1 1 63 63 THR CB C 63 69.943 69.943 69.436 0.507 25854 553 1 2 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.376 -0.087 25854 554 1 2 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.607 1.126 25854 555 1 2 . 1 1 64 64 PRO CB C 64 31.673 31.673 32.102 -0.429 25854 556 1 2 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.596 0.044 25854 557 1 2 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.111 -1.252 25854 558 1 2 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.792 -0.332 25854 559 1 2 . 1 1 65 65 ASP H H 65 7.985 7.985 7.986 -0.001 25854 560 1 2 . 1 1 66 66 SER CB C 66 63.942 63.942 63.562 0.380 25854 561 1 2 . 1 1 66 66 SER H H 66 7.515 7.515 7.602 -0.087 25854 562 1 2 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.286 0.057 25854 563 1 2 . 1 1 67 67 LYS CA C 67 57.242 57.242 56.555 0.687 25854 564 1 2 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.547 0.256 25854 565 1 2 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.182 1.011 25854 566 1 2 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.121 -1.149 25854 567 1 2 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.796 1.420 25854 568 1 2 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.647 0.045 25854 569 1 2 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.560 -2.287 25854 570 1 2 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.796 -1.035 25854 571 1 2 . 1 1 70 70 MET HA H 70 3.798 3.798 5.401 -1.603 25854 572 1 2 . 1 1 70 70 MET CA C 70 55.444 55.444 54.866 0.578 25854 573 1 2 . 1 1 70 70 MET CB C 70 36.034 36.034 35.301 0.733 25854 574 1 2 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.437 -0.125 25854 575 1 2 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.600 -0.703 25854 576 1 2 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.018 0.644 25854 577 1 2 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.687 0.079 25854 578 1 2 . 1 1 72 72 VAL CB C 72 31.464 31.464 30.681 0.783 25854 579 1 2 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.684 0.249 25854 580 1 2 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.549 2.241 25854 581 1 2 . 1 1 73 73 ILE CB C 73 40.101 40.101 39.429 0.672 25854 582 1 2 . 1 1 73 73 ILE H H 73 8.981 8.981 8.632 0.349 25854 583 1 2 . 1 1 74 74 THR HA H 74 5.630 5.630 4.898 0.732 25854 584 1 2 . 1 1 74 74 THR CA C 74 60.813 60.813 61.723 -0.910 25854 585 1 2 . 1 1 74 74 THR CB C 74 70.966 70.966 68.888 2.078 25854 586 1 2 . 1 1 74 74 THR H H 74 9.227 9.227 8.332 0.895 25854 587 1 2 . 1 1 75 75 GLY CA C 75 45.032 45.032 43.877 1.155 25854 588 1 2 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.826 0.343 25854 589 1 2 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.587 0.861 25854 590 1 2 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.050 -0.483 25854 591 1 2 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.144 -0.184 25854 592 1 2 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.991 1.095 25854 593 1 2 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.113 0.022 25854 594 1 2 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.436 0.463 25854 595 1 2 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.018 0.012 25854 596 1 2 . 1 1 78 78 GLU H H 78 9.555 9.555 8.807 0.748 25854 597 1 2 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.021 0.348 25854 598 1 2 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.898 -0.625 25854 599 1 2 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.177 1.952 25854 600 1 2 . 1 1 79 79 ALA H H 79 7.018 7.018 7.532 -0.514 25854 601 1 2 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.028 -0.246 25854 602 1 2 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.714 -0.573 25854 603 1 2 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.210 -0.106 25854 604 1 2 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.732 -0.323 25854 605 1 2 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.850 0.680 25854 606 1 2 . 1 1 81 81 PHE H H 81 8.005 8.005 7.711 0.294 25854 607 1 2 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.788 0.209 25854 608 1 2 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.274 0.737 25854 609 1 2 . 1 1 83 83 ALA HA H 83 3.937 3.937 3.894 0.043 25854 610 1 2 . 1 1 83 83 ALA CA C 83 55.239 55.239 54.775 0.464 25854 611 1 2 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.302 0.725 25854 612 1 2 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.597 0.828 25854 613 1 2 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.233 -0.078 25854 614 1 2 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.314 -0.261 25854 615 1 2 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.819 0.354 25854 616 1 2 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.815 -0.331 25854 617 1 2 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.950 1.752 25854 618 1 2 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.517 -0.135 25854 619 1 2 . 1 1 87 87 ILE H H 87 7.681 7.681 7.678 0.003 25854 620 1 2 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.211 -0.413 25854 621 1 2 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.333 1.655 25854 622 1 2 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.453 0.651 25854 623 1 2 . 1 1 88 88 TYR H H 88 8.021 8.021 8.749 -0.728 25854 624 1 2 . 1 1 89 89 GLY H H 89 8.005 8.005 7.702 0.303 25854 625 1 2 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.152 0.025 25854 626 1 2 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.404 -0.986 25854 627 1 2 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.834 -0.444 25854 628 1 2 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.289 -0.151 25854 629 1 2 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.077 -0.272 25854 630 1 2 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.928 -0.195 25854 631 1 2 . 1 1 91 91 LEU H H 91 7.545 7.545 7.642 -0.097 25854 632 1 2 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.403 -0.087 25854 633 1 2 . 1 1 92 92 LYS CA C 92 58.765 58.765 57.545 1.220 25854 634 1 2 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.764 0.370 25854 635 1 2 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.153 -0.068 25854 636 1 2 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.674 0.264 25854 637 1 2 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.341 -0.082 25854 638 1 2 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.282 0.112 25854 639 1 2 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.233 0.302 25854 640 1 2 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.462 0.046 25854 641 1 2 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.955 1.544 25854 642 1 2 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.886 0.168 25854 643 1 2 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.290 -0.133 25854 644 1 2 . 1 1 96 96 PHE CA C 96 61.630 61.630 59.571 2.059 25854 645 1 2 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.430 -0.957 25854 646 1 2 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.838 -0.287 25854 647 1 2 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.919 0.173 25854 648 1 2 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.427 1.645 25854 649 1 2 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.144 -0.398 25854 650 1 2 . 1 1 98 98 GLY H H 98 8.539 8.539 7.664 0.875 25854 651 1 2 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.473 -0.095 25854 652 1 2 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.808 0.133 25854 653 1 2 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.996 -0.005 25854 654 1 2 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.475 -0.116 25854 655 1 2 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.060 -0.154 25854 656 1 2 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.027 -0.036 25854 657 1 2 . 1 1 100 100 LYS H H 100 8.622 8.622 8.363 0.259 25854 658 1 2 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.330 0.058 25854 659 1 2 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.741 0.165 25854 660 1 2 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.476 2.047 25854 661 1 2 . 1 1 101 101 GLU H H 101 7.569 7.569 8.065 -0.496 25854 662 1 2 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.230 0.066 25854 663 1 2 . 1 1 102 102 GLU CA C 102 55.375 55.375 57.189 -1.814 25854 664 1 2 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.164 0.233 25854 665 1 2 . 1 1 102 102 GLU H H 102 8.440 8.440 8.747 -0.307 25854 666 1 2 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.859 -1.091 25854 667 1 2 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.461 0.885 25854 668 1 2 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.530 -0.539 25854 669 1 2 . 1 1 103 103 VAL H H 103 8.552 8.552 8.530 0.022 25854 670 1 2 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.661 -0.047 25854 671 1 2 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.769 0.606 25854 672 1 2 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.794 2.386 25854 673 1 2 . 1 1 104 104 LYS H H 104 6.924 6.924 8.193 -1.269 25854 674 1 2 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.637 0.274 25854 675 1 2 . 1 1 105 105 LEU CA C 105 52.717 52.717 52.707 0.010 25854 676 1 2 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.964 0.313 25854 677 1 2 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.668 0.240 25854 678 1 2 . 1 1 106 106 GLU CA C 106 57.055 57.055 57.077 -0.022 25854 679 1 2 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.332 1.738 25854 680 1 2 . 1 1 106 106 GLU H H 106 8.982 8.982 8.839 0.143 25854 681 1 2 . 1 1 107 107 THR HA H 107 5.524 5.524 5.018 0.506 25854 682 1 2 . 1 1 107 107 THR CA C 107 61.220 61.220 61.615 -0.395 25854 683 1 2 . 1 1 107 107 THR CB C 107 71.849 71.849 69.942 1.907 25854 684 1 2 . 1 1 107 107 THR H H 107 9.357 9.357 9.148 0.209 25854 685 1 2 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.538 0.523 25854 686 1 2 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.264 -1.015 25854 687 1 2 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.735 3.445 25854 688 1 2 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.752 -0.112 25854 689 1 2 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.953 0.142 25854 690 1 2 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.337 -0.311 25854 691 1 2 . 1 1 109 109 ILE H H 109 8.818 8.818 8.040 0.778 25854 692 1 2 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.052 0.182 25854 693 1 2 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.098 -0.255 25854 694 1 2 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.313 1.678 25854 695 1 2 . 1 1 110 110 ARG H H 110 8.568 8.568 8.522 0.046 25854 696 1 2 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.756 0.118 25854 697 1 2 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.711 -0.742 25854 698 1 2 . 1 1 111 111 VAL CB C 111 33.585 33.585 33.435 0.150 25854 699 1 2 . 1 1 111 111 VAL H H 111 8.935 8.935 8.918 0.017 25854 700 1 2 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.470 0.029 25854 701 1 2 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.496 -0.150 25854 702 1 2 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.843 0.148 25854 703 1 2 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.961 -0.051 25854 704 1 2 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.471 0.435 25854 705 1 2 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.746 -0.572 25854 706 1 2 . 1 1 113 113 ALA H H 113 9.220 9.220 8.262 0.958 25854 707 1 2 . 1 1 114 114 SER HA H 114 4.210 4.210 4.374 -0.164 25854 708 1 2 . 1 1 114 114 SER CA C 114 60.157 60.157 59.191 0.966 25854 709 1 2 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.052 0.433 25854 710 1 2 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.331 -2.144 25854 711 1 2 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.240 2.059 25854 712 1 2 . 1 1 115 115 ALA H H 115 7.752 7.752 7.297 0.455 25854 713 1 2 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.061 -0.474 25854 714 1 2 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.831 0.544 25854 715 1 2 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.210 -0.036 25854 716 1 2 . 1 1 116 116 ALA H H 116 7.429 7.429 7.800 -0.371 25854 717 1 2 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.670 -0.331 25854 718 1 2 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.314 -0.137 25854 719 1 2 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.207 0.190 25854 720 1 2 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.768 -0.116 25854 721 1 2 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.403 -0.463 25854 722 1 2 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.871 -0.880 25854 723 1 2 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.092 -0.265 25854 724 1 2 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.395 1.036 25854 725 1 2 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.844 -1.782 25854 726 1 2 . 1 1 121 121 GLY H H 121 7.924 7.924 8.051 -0.127 25854 727 1 2 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.310 -0.163 25854 728 1 2 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.784 0.135 25854 729 1 2 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.400 0.088 25854 730 1 2 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.827 -1.452 25854 731 1 2 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.174 0.194 25854 732 1 2 . 1 1 128 128 ASN H H 128 8.050 8.050 7.554 0.496 25854 733 1 2 . 1 1 129 129 GLU H H 129 8.138 8.138 7.463 0.675 25854 734 1 2 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.902 0.158 25854 735 1 2 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.690 0.399 25854 736 1 2 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.188 0.106 25854 737 1 2 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.905 0.190 25854 738 1 2 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.750 0.531 25854 739 1 2 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.484 -0.213 25854 740 1 2 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.641 0.510 25854 741 1 2 . 1 1 134 134 THR HA H 134 4.324 4.324 4.240 0.084 25854 742 1 2 . 1 1 134 134 THR CA C 134 61.752 61.752 62.872 -1.120 25854 743 1 2 . 1 1 134 134 THR CB C 134 70.047 70.047 70.127 -0.080 25854 744 1 2 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.955 0.152 25854 745 1 2 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.021 0.759 25854 746 1 2 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.705 1.469 25854 747 1 2 . 1 1 135 135 ALA H H 135 8.013 8.013 7.769 0.244 25854 748 1 2 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.785 -0.246 25854 749 1 2 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.439 0.684 25854 750 1 2 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.918 -2.150 25854 751 1 2 . 1 1 136 136 ALA H H 136 8.011 8.011 7.290 0.721 25854 752 1 2 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.634 -0.203 25854 753 1 2 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.933 5.309 25854 754 1 2 . 1 1 137 137 GLU H H 137 8.439 8.439 8.421 0.018 25854 755 1 2 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.837 0.045 25854 756 1 2 . 1 1 138 138 VAL CA C 138 61.220 61.220 60.855 0.365 25854 757 1 2 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.795 1.790 25854 758 1 2 . 1 1 138 138 VAL H H 138 8.280 8.280 8.633 -0.353 25854 759 1 2 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.425 -0.204 25854 760 1 2 . 1 1 139 139 VAL CA C 139 60.689 60.689 59.958 0.731 25854 761 1 2 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.005 1.238 25854 762 1 2 . 1 1 139 139 VAL H H 139 9.055 9.055 8.848 0.207 25854 763 1 2 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.400 0.222 25854 764 1 2 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.520 0.043 25854 765 1 2 . 1 1 140 140 VAL CB C 140 31.991 31.991 31.688 0.303 25854 766 1 2 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.383 -0.154 25854 767 1 2 . 1 1 141 141 PRO CA C 141 63.346 63.346 63.169 0.178 25854 768 1 2 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.494 -1.034 25854 769 1 2 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.168 0.066 25854 770 1 2 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.203 -0.766 25854 771 1 2 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.154 0.774 25854 772 1 2 . 1 1 142 142 ARG H H 142 8.499 8.499 8.414 0.085 25854 773 1 2 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.690 -0.280 25854 774 1 2 . 1 1 143 143 ASP CA C 143 54.312 54.312 52.910 1.402 25854 775 1 2 . 1 1 143 143 ASP CB C 143 39.431 39.431 39.719 -0.288 25854 776 1 2 . 1 1 143 143 ASP H H 143 8.691 8.691 8.183 0.508 25854 777 1 2 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.141 0.224 25854 778 1 2 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.326 -1.270 25854 779 1 2 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.398 1.671 25854 780 1 2 . 1 1 144 144 GLN H H 144 7.898 7.898 7.634 0.264 25854 781 1 2 . 1 1 145 145 THR HA H 145 4.619 4.619 4.342 0.277 25854 782 1 2 . 1 1 145 145 THR CA C 145 59.626 59.626 60.734 -1.108 25854 783 1 2 . 1 1 145 145 THR CB C 145 70.255 70.255 68.490 1.765 25854 784 1 2 . 1 1 145 145 THR H H 145 8.695 8.695 8.324 0.371 25854 785 1 2 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.418 -0.078 25854 786 1 2 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.663 0.152 25854 787 1 2 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.472 0.077 25854 788 1 2 . 1 1 147 147 ASP CA C 147 52.717 52.717 54.020 -1.303 25854 789 1 2 . 1 1 147 147 ASP CB C 147 41.026 41.026 38.883 2.143 25854 790 1 2 . 1 1 147 147 ASP H H 147 8.506 8.506 8.714 -0.208 25854 791 1 2 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.021 0.149 25854 792 1 2 . 1 1 148 148 GLU CA C 148 58.563 58.563 59.109 -0.546 25854 793 1 2 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.736 -1.465 25854 794 1 2 . 1 1 148 148 GLU H H 148 9.159 9.159 8.254 0.905 25854 795 1 2 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.874 0.062 25854 796 1 2 . 1 1 149 149 ASN CA C 149 52.717 52.717 51.832 0.885 25854 797 1 2 . 1 1 149 149 ASN CB C 149 39.431 39.431 37.780 1.651 25854 798 1 2 . 1 1 149 149 ASN H H 149 8.364 8.364 8.111 0.253 25854 799 1 2 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.859 -0.088 25854 800 1 2 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.912 -0.412 25854 801 1 2 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.341 0.509 25854 802 1 2 . 1 1 150 150 GLU H H 150 8.542 8.542 8.061 0.481 25854 803 1 2 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.076 -0.055 25854 804 1 2 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.214 -0.371 25854 805 1 2 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.895 -1.826 25854 806 1 2 . 1 1 151 151 GLN H H 151 8.441 8.441 7.543 0.898 25854 807 1 2 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.956 -0.374 25854 808 1 2 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.450 0.113 25854 809 1 2 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.408 -1.291 25854 810 1 2 . 1 1 152 152 VAL H H 152 8.999 8.999 9.298 -0.299 25854 811 1 2 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.715 -0.087 25854 812 1 2 . 1 1 153 153 ILE CA C 153 61.220 61.220 58.955 2.265 25854 813 1 2 . 1 1 153 153 ILE CB C 153 40.494 40.494 38.660 1.835 25854 814 1 2 . 1 1 153 153 ILE H H 153 8.972 8.972 7.695 1.277 25854 815 1 2 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.496 -0.262 25854 816 1 2 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.273 2.478 25854 817 1 2 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.547 -1.962 25854 818 1 2 . 1 1 154 154 VAL H H 154 8.557 8.557 8.603 -0.046 25854 819 1 2 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.272 0.882 25854 820 1 2 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.748 0.095 25854 821 1 2 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.156 1.492 25854 822 1 2 . 1 1 155 155 LYS H H 155 8.951 8.951 8.156 0.795 25854 823 1 2 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.227 -0.192 25854 824 1 2 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.111 0.047 25854 825 1 2 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.670 1.887 25854 826 1 2 . 1 1 156 156 ILE H H 156 9.538 9.538 8.873 0.665 25854 827 1 2 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.520 0.581 25854 828 1 2 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.570 1.119 25854 829 1 2 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.658 0.835 25854 830 1 2 . 1 1 157 157 ILE H H 157 9.468 9.468 8.733 0.735 25854 831 1 2 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.361 0.448 25854 832 1 2 . 1 1 158 158 GLY H H 158 8.236 8.236 7.756 0.480 25854 833 1 2 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.186 0.359 25854 834 1 2 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.997 1.378 25854 835 1 2 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.258 0.202 25854 836 1 2 . 1 1 159 159 HIS H H 159 7.986 7.986 8.087 -0.101 25854 837 1 2 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.508 -0.322 25854 838 1 2 . 1 1 160 160 PHE CA C 160 62.283 62.283 59.811 2.472 25854 839 1 2 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.219 1.149 25854 840 1 2 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.196 -0.756 25854 841 1 2 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.993 0.290 25854 842 1 2 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.904 0.933 25854 843 1 2 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.200 -0.148 25854 844 1 2 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.331 0.512 25854 845 1 2 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.446 0.259 25854 846 1 2 . 1 1 162 162 ALA H H 162 7.458 7.458 8.456 -0.998 25854 847 1 2 . 1 1 163 163 SER HA H 163 3.832 3.832 4.083 -0.251 25854 848 1 2 . 1 1 163 163 SER CA C 163 60.050 60.050 61.372 -1.322 25854 849 1 2 . 1 1 163 163 SER CB C 163 63.346 63.346 63.296 0.050 25854 850 1 2 . 1 1 163 163 SER H H 163 8.403 8.403 8.584 -0.181 25854 851 1 2 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.318 -0.708 25854 852 1 2 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.217 0.346 25854 853 1 2 . 1 1 164 164 GLN CB C 164 6.594 6.594 27.907 -21.313 25854 854 1 2 . 1 1 165 165 MET HA H 165 4.048 4.048 4.159 -0.111 25854 855 1 2 . 1 1 165 165 MET CA C 165 58.563 58.563 58.364 0.199 25854 856 1 2 . 1 1 165 165 MET CB C 165 31.991 31.991 32.695 -0.704 25854 857 1 2 . 1 1 166 166 ALA HA H 166 3.918 3.918 4.005 -0.087 25854 858 1 2 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.067 0.009 25854 859 1 2 . 1 1 166 166 ALA H H 166 8.208 8.208 8.001 0.207 25854 860 1 2 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.886 -0.258 25854 861 1 2 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.719 0.438 25854 862 1 2 . 1 1 167 167 GLN H H 167 8.393 8.393 8.669 -0.276 25854 863 1 2 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.207 -0.317 25854 864 1 2 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.302 -5.266 25854 865 1 2 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.959 -0.094 25854 866 1 2 . 1 1 168 168 ARG H H 168 8.220 8.220 7.610 0.610 25854 867 1 2 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.130 0.003 25854 868 1 2 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.884 -0.321 25854 869 1 2 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.943 0.048 25854 870 1 2 . 1 1 169 169 LYS H H 169 8.042 8.042 7.596 0.446 25854 871 1 2 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.773 -0.243 25854 872 1 2 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.316 1.156 25854 873 1 2 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.771 -0.997 25854 874 1 2 . 1 1 170 170 ILE H H 170 8.190 8.190 8.489 -0.299 25854 875 1 2 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.934 -0.067 25854 876 1 2 . 1 1 171 171 ARG CA C 171 60.051 60.051 60.004 0.047 25854 877 1 2 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.643 -0.309 25854 878 1 2 . 1 1 171 171 ARG H H 171 7.984 7.984 8.109 -0.125 25854 879 1 2 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.513 -0.084 25854 880 1 2 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.801 -0.301 25854 881 1 2 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.215 -0.721 25854 882 1 2 . 1 1 172 172 ASP H H 172 7.993 7.993 7.954 0.039 25854 883 1 2 . 1 1 173 173 ILE HA H 173 3.650 3.650 4.354 -0.704 25854 884 1 2 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.890 1.582 25854 885 1 2 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.721 0.647 25854 886 1 2 . 1 1 174 174 LEU HA H 174 3.895 3.895 4.262 -0.367 25854 887 1 2 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.496 0.004 25854 888 1 2 . 1 1 174 174 LEU CB C 174 41.026 41.026 41.259 -0.233 25854 889 1 2 . 1 1 174 174 LEU H H 174 8.270 8.270 8.001 0.269 25854 890 1 2 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.935 0.209 25854 891 1 2 . 1 1 175 175 ALA CA C 175 54.056 54.056 54.980 -0.924 25854 892 1 2 . 1 1 175 175 ALA CB C 175 18.705 18.705 17.994 0.711 25854 893 1 2 . 1 1 175 175 ALA H H 175 7.960 7.960 7.842 0.118 25854 894 1 2 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.032 0.061 25854 895 1 2 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.392 -0.339 25854 896 1 2 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.684 0.386 25854 897 1 2 . 1 1 176 176 GLN H H 176 7.696 7.696 7.745 -0.049 25854 898 1 2 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.784 0.041 25854 899 1 2 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.131 -1.080 25854 900 1 2 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.520 0.548 25854 901 1 2 . 1 1 177 177 VAL H H 177 7.850 7.850 7.719 0.131 25854 902 1 2 . 1 1 179 179 GLN H H 179 7.862 7.862 7.843 0.019 25854 903 1 3 . 1 1 22 22 GLN H H 22 8.152 8.152 8.279 -0.127 25854 904 1 3 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.289 0.287 25854 905 1 3 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.444 -0.339 25854 906 1 3 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.993 1.438 25854 907 1 3 . 1 1 23 23 GLU H H 23 7.926 7.926 8.600 -0.674 25854 908 1 3 . 1 1 24 24 THR HA H 24 5.298 5.298 5.163 0.135 25854 909 1 3 . 1 1 24 24 THR CA C 24 62.286 62.286 61.975 0.311 25854 910 1 3 . 1 1 24 24 THR CB C 24 70.759 70.759 69.407 1.352 25854 911 1 3 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.434 0.001 25854 912 1 3 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.480 0.141 25854 913 1 3 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.198 0.825 25854 914 1 3 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.668 -0.129 25854 915 1 3 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.014 -1.872 25854 916 1 3 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.362 0.355 25854 917 1 3 . 1 1 27 27 VAL CA C 27 60.635 60.635 60.929 -0.294 25854 918 1 3 . 1 1 27 27 VAL CB C 27 35.238 35.238 34.992 0.246 25854 919 1 3 . 1 1 27 27 VAL H H 27 9.339 9.339 8.553 0.786 25854 920 1 3 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.702 0.209 25854 921 1 3 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.649 1.076 25854 922 1 3 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.670 -0.761 25854 923 1 3 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.729 0.157 25854 924 1 3 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.742 0.372 25854 925 1 3 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.996 -1.081 25854 926 1 3 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.295 0.213 25854 927 1 3 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.646 0.263 25854 928 1 3 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.914 -0.073 25854 929 1 3 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.892 -0.299 25854 930 1 3 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.678 0.818 25854 931 1 3 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.592 -0.521 25854 932 1 3 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.099 0.084 25854 933 1 3 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.963 -0.622 25854 934 1 3 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.706 -0.839 25854 935 1 3 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.108 -0.150 25854 936 1 3 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.770 -1.354 25854 937 1 3 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.450 -0.366 25854 938 1 3 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.520 -0.634 25854 939 1 3 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.513 1.829 25854 940 1 3 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.780 -0.258 25854 941 1 3 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.319 -0.420 25854 942 1 3 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.421 -1.428 25854 943 1 3 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.695 -0.457 25854 944 1 3 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.335 -0.088 25854 945 1 3 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.806 -0.355 25854 946 1 3 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.191 -1.674 25854 947 1 3 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.136 -1.826 25854 948 1 3 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.804 0.085 25854 949 1 3 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.950 0.631 25854 950 1 3 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.598 0.242 25854 951 1 3 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.388 2.764 25854 952 1 3 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.874 0.706 25854 953 1 3 . 1 1 40 40 LYS CA C 40 58.370 58.370 56.964 1.407 25854 954 1 3 . 1 1 41 41 LYS CB C 41 32.800 32.800 31.601 1.199 25854 955 1 3 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.437 -0.095 25854 956 1 3 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.054 -2.821 25854 957 1 3 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.761 0.127 25854 958 1 3 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.973 -0.335 25854 959 1 3 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.923 -0.673 25854 960 1 3 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.045 0.091 25854 961 1 3 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.434 1.169 25854 962 1 3 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.020 0.451 25854 963 1 3 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.007 0.027 25854 964 1 3 . 1 1 48 48 LEU HA H 48 4.042 4.042 1.804 2.239 25854 965 1 3 . 1 1 48 48 LEU CA C 48 58.085 58.085 56.974 1.111 25854 966 1 3 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.573 0.798 25854 967 1 3 . 1 1 49 49 SER HA H 49 4.183 4.183 4.074 0.109 25854 968 1 3 . 1 1 49 49 SER CA C 49 61.932 61.932 61.048 0.884 25854 969 1 3 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.090 0.069 25854 970 1 3 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.856 -0.425 25854 971 1 3 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.474 -0.322 25854 972 1 3 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.551 -0.229 25854 973 1 3 . 1 1 51 51 PHE CA C 51 59.819 59.819 58.051 1.768 25854 974 1 3 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.089 1.436 25854 975 1 3 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.528 -0.765 25854 976 1 3 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.045 0.333 25854 977 1 3 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.512 -0.135 25854 978 1 3 . 1 1 52 52 ALA H H 52 8.465 8.465 7.698 0.767 25854 979 1 3 . 1 1 53 53 SER CB C 53 61.826 61.826 61.879 -0.053 25854 980 1 3 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.590 0.342 25854 981 1 3 . 1 1 54 54 ALA CA C 54 49.133 49.133 51.099 -1.966 25854 982 1 3 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.198 1.200 25854 983 1 3 . 1 1 55 55 SER HA H 55 4.766 4.766 4.731 0.035 25854 984 1 3 . 1 1 55 55 SER CB C 55 63.541 63.541 62.734 0.807 25854 985 1 3 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.227 0.765 25854 986 1 3 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.683 -0.492 25854 987 1 3 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.607 1.904 25854 988 1 3 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.734 0.020 25854 989 1 3 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.099 0.556 25854 990 1 3 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.593 -0.267 25854 991 1 3 . 1 1 57 57 LYS H H 57 8.732 8.732 8.601 0.131 25854 992 1 3 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.153 0.558 25854 993 1 3 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.332 1.265 25854 994 1 3 . 1 1 58 58 ILE CB C 58 37.464 37.464 37.687 -0.223 25854 995 1 3 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.691 -0.183 25854 996 1 3 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.730 1.958 25854 997 1 3 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.718 -0.359 25854 998 1 3 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.022 0.017 25854 999 1 3 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.685 0.273 25854 1000 1 3 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.925 0.505 25854 1001 1 3 . 1 1 63 63 THR HA H 63 4.786 4.786 4.709 0.077 25854 1002 1 3 . 1 1 63 63 THR CA C 63 58.498 58.498 59.335 -0.837 25854 1003 1 3 . 1 1 63 63 THR CB C 63 69.943 69.943 69.627 0.316 25854 1004 1 3 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.348 -0.059 25854 1005 1 3 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.419 0.314 25854 1006 1 3 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.759 -0.086 25854 1007 1 3 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.673 -0.033 25854 1008 1 3 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.878 -1.019 25854 1009 1 3 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.531 -0.071 25854 1010 1 3 . 1 1 65 65 ASP H H 65 7.985 7.985 8.229 -0.244 25854 1011 1 3 . 1 1 66 66 SER CB C 66 63.942 63.942 64.191 -0.249 25854 1012 1 3 . 1 1 66 66 SER H H 66 7.515 7.515 7.415 0.100 25854 1013 1 3 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.200 0.143 25854 1014 1 3 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.427 -0.185 25854 1015 1 3 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.606 0.197 25854 1016 1 3 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.141 1.052 25854 1017 1 3 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.852 -0.880 25854 1018 1 3 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.139 2.076 25854 1019 1 3 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.589 0.103 25854 1020 1 3 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.340 -2.067 25854 1021 1 3 . 1 1 69 69 ARG CB C 69 32.761 32.761 32.963 -0.202 25854 1022 1 3 . 1 1 70 70 MET HA H 70 3.798 3.798 5.265 -1.467 25854 1023 1 3 . 1 1 70 70 MET CA C 70 55.444 55.444 55.340 0.104 25854 1024 1 3 . 1 1 70 70 MET CB C 70 36.034 36.034 34.865 1.169 25854 1025 1 3 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.620 -0.308 25854 1026 1 3 . 1 1 71 71 VAL CA C 71 60.897 60.897 60.145 0.752 25854 1027 1 3 . 1 1 72 72 VAL HA H 72 4.662 4.662 3.845 0.817 25854 1028 1 3 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.396 0.370 25854 1029 1 3 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.055 -0.591 25854 1030 1 3 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.280 -0.347 25854 1031 1 3 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.840 1.950 25854 1032 1 3 . 1 1 73 73 ILE CB C 73 40.101 40.101 40.250 -0.149 25854 1033 1 3 . 1 1 73 73 ILE H H 73 8.981 8.981 8.348 0.633 25854 1034 1 3 . 1 1 74 74 THR HA H 74 5.630 5.630 4.916 0.714 25854 1035 1 3 . 1 1 74 74 THR CA C 74 60.813 60.813 61.664 -0.851 25854 1036 1 3 . 1 1 74 74 THR CB C 74 70.966 70.966 69.381 1.585 25854 1037 1 3 . 1 1 74 74 THR H H 74 9.227 9.227 8.985 0.242 25854 1038 1 3 . 1 1 75 75 GLY CA C 75 45.032 45.032 42.780 2.252 25854 1039 1 3 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.855 0.314 25854 1040 1 3 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.186 1.262 25854 1041 1 3 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.310 -0.743 25854 1042 1 3 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.073 -0.113 25854 1043 1 3 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.438 0.648 25854 1044 1 3 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.180 -0.045 25854 1045 1 3 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.231 0.668 25854 1046 1 3 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.245 -0.215 25854 1047 1 3 . 1 1 78 78 GLU H H 78 9.555 9.555 8.760 0.795 25854 1048 1 3 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.156 0.213 25854 1049 1 3 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.606 -0.333 25854 1050 1 3 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.148 1.981 25854 1051 1 3 . 1 1 79 79 ALA H H 79 7.018 7.018 7.748 -0.730 25854 1052 1 3 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.046 -0.264 25854 1053 1 3 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.845 -0.704 25854 1054 1 3 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.262 -0.158 25854 1055 1 3 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.962 0.448 25854 1056 1 3 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.944 0.586 25854 1057 1 3 . 1 1 81 81 PHE H H 81 8.005 8.005 7.835 0.170 25854 1058 1 3 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.971 0.026 25854 1059 1 3 . 1 1 82 82 LYS CA C 82 60.011 60.011 58.918 1.093 25854 1060 1 3 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.156 -0.219 25854 1061 1 3 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.157 0.082 25854 1062 1 3 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.568 0.459 25854 1063 1 3 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.690 0.736 25854 1064 1 3 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.262 -0.107 25854 1065 1 3 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.663 -0.610 25854 1066 1 3 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.933 0.240 25854 1067 1 3 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.889 -0.405 25854 1068 1 3 . 1 1 87 87 ILE CA C 87 65.702 65.702 62.942 2.760 25854 1069 1 3 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.551 -0.169 25854 1070 1 3 . 1 1 87 87 ILE H H 87 7.681 7.681 7.443 0.238 25854 1071 1 3 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.266 -0.468 25854 1072 1 3 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.481 1.506 25854 1073 1 3 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.576 0.528 25854 1074 1 3 . 1 1 88 88 TYR H H 88 8.021 8.021 8.404 -0.383 25854 1075 1 3 . 1 1 89 89 GLY H H 89 8.005 8.005 7.918 0.087 25854 1076 1 3 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.132 0.045 25854 1077 1 3 . 1 1 90 90 LYS CA C 90 57.418 57.418 59.236 -1.817 25854 1078 1 3 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.846 -0.456 25854 1079 1 3 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.391 -0.253 25854 1080 1 3 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.102 -0.297 25854 1081 1 3 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.209 -0.476 25854 1082 1 3 . 1 1 91 91 LEU H H 91 7.545 7.545 7.584 -0.039 25854 1083 1 3 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.563 -0.247 25854 1084 1 3 . 1 1 92 92 LYS CA C 92 58.765 58.765 57.727 1.038 25854 1085 1 3 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.745 0.389 25854 1086 1 3 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.160 -0.075 25854 1087 1 3 . 1 1 93 93 GLU CB C 93 29.938 29.938 30.126 -0.188 25854 1088 1 3 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.234 0.025 25854 1089 1 3 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.185 0.209 25854 1090 1 3 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.744 -0.209 25854 1091 1 3 . 1 1 95 95 ASN HA H 95 4.508 4.508 3.931 0.577 25854 1092 1 3 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.095 1.404 25854 1093 1 3 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.199 0.855 25854 1094 1 3 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.148 0.009 25854 1095 1 3 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.931 0.699 25854 1096 1 3 . 1 1 96 96 PHE CB C 96 38.473 38.473 38.723 -0.250 25854 1097 1 3 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.560 -0.009 25854 1098 1 3 . 1 1 97 97 PHE CA C 97 57.092 57.092 58.021 -0.929 25854 1099 1 3 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.338 1.734 25854 1100 1 3 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.213 0.533 25854 1101 1 3 . 1 1 98 98 GLY H H 98 8.539 8.539 6.686 1.853 25854 1102 1 3 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.419 -0.041 25854 1103 1 3 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.023 0.917 25854 1104 1 3 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.136 -0.145 25854 1105 1 3 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.591 -0.232 25854 1106 1 3 . 1 1 100 100 LYS CA C 100 55.906 55.906 54.834 1.073 25854 1107 1 3 . 1 1 100 100 LYS CB C 100 31.991 31.991 31.848 0.143 25854 1108 1 3 . 1 1 100 100 LYS H H 100 8.622 8.622 8.117 0.505 25854 1109 1 3 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.623 -0.235 25854 1110 1 3 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.203 0.703 25854 1111 1 3 . 1 1 101 101 GLU CB C 101 32.523 32.523 32.179 0.343 25854 1112 1 3 . 1 1 101 101 GLU H H 101 7.569 7.569 7.694 -0.125 25854 1113 1 3 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.447 -0.151 25854 1114 1 3 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.549 -0.174 25854 1115 1 3 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.894 -0.497 25854 1116 1 3 . 1 1 102 102 GLU H H 102 8.440 8.440 8.544 -0.104 25854 1117 1 3 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.175 -0.407 25854 1118 1 3 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.403 -0.056 25854 1119 1 3 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.030 -0.039 25854 1120 1 3 . 1 1 103 103 VAL H H 103 8.552 8.552 8.363 0.189 25854 1121 1 3 . 1 1 104 104 LYS HA H 104 4.614 4.614 5.097 -0.483 25854 1122 1 3 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.026 1.349 25854 1123 1 3 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.550 2.630 25854 1124 1 3 . 1 1 104 104 LYS H H 104 6.924 6.924 8.232 -1.308 25854 1125 1 3 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.590 0.321 25854 1126 1 3 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.370 -0.653 25854 1127 1 3 . 1 1 105 105 LEU CB C 105 45.277 45.277 43.977 1.300 25854 1128 1 3 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.658 0.250 25854 1129 1 3 . 1 1 106 106 GLU CA C 106 57.055 57.055 56.219 0.836 25854 1130 1 3 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.149 1.921 25854 1131 1 3 . 1 1 106 106 GLU H H 106 8.982 8.982 8.883 0.099 25854 1132 1 3 . 1 1 107 107 THR HA H 107 5.524 5.524 4.752 0.772 25854 1133 1 3 . 1 1 107 107 THR CA C 107 61.220 61.220 62.357 -1.137 25854 1134 1 3 . 1 1 107 107 THR CB C 107 71.849 71.849 70.582 1.267 25854 1135 1 3 . 1 1 107 107 THR H H 107 9.357 9.357 9.062 0.295 25854 1136 1 3 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.678 0.383 25854 1137 1 3 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.596 -1.347 25854 1138 1 3 . 1 1 108 108 HIS CB C 108 35.180 35.180 32.490 2.690 25854 1139 1 3 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.761 -0.121 25854 1140 1 3 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.172 -0.077 25854 1141 1 3 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.199 -0.173 25854 1142 1 3 . 1 1 109 109 ILE H H 109 8.818 8.818 8.533 0.285 25854 1143 1 3 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.863 0.371 25854 1144 1 3 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.097 -0.254 25854 1145 1 3 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.210 2.781 25854 1146 1 3 . 1 1 110 110 ARG H H 110 8.568 8.568 8.660 -0.092 25854 1147 1 3 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.633 0.241 25854 1148 1 3 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.812 -0.843 25854 1149 1 3 . 1 1 111 111 VAL CB C 111 33.585 33.585 35.981 -2.396 25854 1150 1 3 . 1 1 111 111 VAL H H 111 8.935 8.935 8.900 0.035 25854 1151 1 3 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.563 -0.064 25854 1152 1 3 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.614 -0.268 25854 1153 1 3 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.812 0.179 25854 1154 1 3 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.072 -0.162 25854 1155 1 3 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.883 1.023 25854 1156 1 3 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.886 -0.712 25854 1157 1 3 . 1 1 113 113 ALA H H 113 9.220 9.220 8.737 0.483 25854 1158 1 3 . 1 1 114 114 SER HA H 114 4.210 4.210 4.277 -0.067 25854 1159 1 3 . 1 1 114 114 SER CA C 114 60.157 60.157 60.606 -0.449 25854 1160 1 3 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.128 0.357 25854 1161 1 3 . 1 1 115 115 ALA CA C 115 52.186 52.186 53.836 -1.650 25854 1162 1 3 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.150 2.149 25854 1163 1 3 . 1 1 115 115 ALA H H 115 7.752 7.752 7.304 0.448 25854 1164 1 3 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.051 -0.464 25854 1165 1 3 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.098 0.277 25854 1166 1 3 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.234 -0.060 25854 1167 1 3 . 1 1 116 116 ALA H H 116 7.429 7.429 8.001 -0.572 25854 1168 1 3 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.556 -0.216 25854 1169 1 3 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.085 0.092 25854 1170 1 3 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.210 0.187 25854 1171 1 3 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.793 -0.141 25854 1172 1 3 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.252 -0.312 25854 1173 1 3 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.807 0.184 25854 1174 1 3 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.786 0.041 25854 1175 1 3 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.959 1.472 25854 1176 1 3 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.707 -2.645 25854 1177 1 3 . 1 1 121 121 GLY H H 121 7.924 7.924 7.874 0.050 25854 1178 1 3 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.600 -0.453 25854 1179 1 3 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.825 0.094 25854 1180 1 3 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.477 0.011 25854 1181 1 3 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.534 -1.159 25854 1182 1 3 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.442 -0.074 25854 1183 1 3 . 1 1 128 128 ASN H H 128 8.050 8.050 8.461 -0.411 25854 1184 1 3 . 1 1 129 129 GLU H H 129 8.138 8.138 8.052 0.086 25854 1185 1 3 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.883 0.177 25854 1186 1 3 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.692 0.396 25854 1187 1 3 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.134 0.160 25854 1188 1 3 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.956 0.140 25854 1189 1 3 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.638 0.643 25854 1190 1 3 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.175 0.096 25854 1191 1 3 . 1 1 133 133 LEU CB C 133 43.151 43.151 41.550 1.601 25854 1192 1 3 . 1 1 134 134 THR HA H 134 4.324 4.324 4.272 0.052 25854 1193 1 3 . 1 1 134 134 THR CA C 134 61.752 61.752 63.106 -1.354 25854 1194 1 3 . 1 1 134 134 THR CB C 134 70.047 70.047 70.251 -0.204 25854 1195 1 3 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.950 0.157 25854 1196 1 3 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.023 0.757 25854 1197 1 3 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.480 1.694 25854 1198 1 3 . 1 1 135 135 ALA H H 135 8.013 8.013 7.647 0.366 25854 1199 1 3 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.708 -0.169 25854 1200 1 3 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.460 0.663 25854 1201 1 3 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.867 -2.099 25854 1202 1 3 . 1 1 136 136 ALA H H 136 8.011 8.011 7.296 0.715 25854 1203 1 3 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.634 -0.203 25854 1204 1 3 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.599 5.644 25854 1205 1 3 . 1 1 137 137 GLU H H 137 8.439 8.439 8.503 -0.064 25854 1206 1 3 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.526 0.356 25854 1207 1 3 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.196 0.024 25854 1208 1 3 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.437 1.148 25854 1209 1 3 . 1 1 138 138 VAL H H 138 8.280 8.280 8.508 -0.228 25854 1210 1 3 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.486 -0.265 25854 1211 1 3 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.254 0.435 25854 1212 1 3 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.814 1.429 25854 1213 1 3 . 1 1 139 139 VAL H H 139 9.055 9.055 8.275 0.780 25854 1214 1 3 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.592 0.030 25854 1215 1 3 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.592 -0.029 25854 1216 1 3 . 1 1 140 140 VAL CB C 140 31.991 31.991 31.808 0.182 25854 1217 1 3 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.405 -0.176 25854 1218 1 3 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.772 0.574 25854 1219 1 3 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.500 -1.040 25854 1220 1 3 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.178 0.056 25854 1221 1 3 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.793 -1.356 25854 1222 1 3 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.029 0.899 25854 1223 1 3 . 1 1 142 142 ARG H H 142 8.499 8.499 8.606 -0.107 25854 1224 1 3 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.605 -0.195 25854 1225 1 3 . 1 1 143 143 ASP CA C 143 54.312 54.312 53.675 0.637 25854 1226 1 3 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.089 -0.658 25854 1227 1 3 . 1 1 143 143 ASP H H 143 8.691 8.691 8.178 0.513 25854 1228 1 3 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.094 0.271 25854 1229 1 3 . 1 1 144 144 GLN CA C 144 55.056 55.056 57.871 -2.815 25854 1230 1 3 . 1 1 144 144 GLN CB C 144 31.069 31.069 28.887 2.182 25854 1231 1 3 . 1 1 144 144 GLN H H 144 7.898 7.898 8.047 -0.149 25854 1232 1 3 . 1 1 145 145 THR HA H 145 4.619 4.619 4.729 -0.110 25854 1233 1 3 . 1 1 145 145 THR CA C 145 59.626 59.626 59.070 0.556 25854 1234 1 3 . 1 1 145 145 THR CB C 145 70.255 70.255 69.938 0.317 25854 1235 1 3 . 1 1 145 145 THR H H 145 8.695 8.695 7.792 0.903 25854 1236 1 3 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.469 -0.129 25854 1237 1 3 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.726 0.089 25854 1238 1 3 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.318 0.231 25854 1239 1 3 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.847 -3.130 25854 1240 1 3 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.674 0.352 25854 1241 1 3 . 1 1 147 147 ASP H H 147 8.506 8.506 8.621 -0.115 25854 1242 1 3 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.078 0.092 25854 1243 1 3 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.375 0.188 25854 1244 1 3 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.621 -1.350 25854 1245 1 3 . 1 1 148 148 GLU H H 148 9.159 9.159 8.234 0.925 25854 1246 1 3 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.670 0.266 25854 1247 1 3 . 1 1 149 149 ASN CA C 149 52.717 52.717 53.175 -0.458 25854 1248 1 3 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.087 0.344 25854 1249 1 3 . 1 1 149 149 ASN H H 149 8.364 8.364 7.753 0.611 25854 1250 1 3 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.979 -0.208 25854 1251 1 3 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.725 -0.225 25854 1252 1 3 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.349 0.501 25854 1253 1 3 . 1 1 150 150 GLU H H 150 8.542 8.542 7.935 0.607 25854 1254 1 3 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.088 -0.067 25854 1255 1 3 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.033 -0.190 25854 1256 1 3 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.151 -2.082 25854 1257 1 3 . 1 1 151 151 GLN H H 151 8.441 8.441 7.555 0.886 25854 1258 1 3 . 1 1 152 152 VAL HA H 152 4.582 4.582 5.007 -0.425 25854 1259 1 3 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.150 0.413 25854 1260 1 3 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.652 -1.535 25854 1261 1 3 . 1 1 152 152 VAL H H 152 8.999 8.999 9.299 -0.300 25854 1262 1 3 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.983 -0.355 25854 1263 1 3 . 1 1 153 153 ILE CA C 153 61.220 61.220 60.057 1.163 25854 1264 1 3 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.534 -0.040 25854 1265 1 3 . 1 1 153 153 ILE H H 153 8.972 8.972 8.420 0.552 25854 1266 1 3 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.463 -0.229 25854 1267 1 3 . 1 1 154 154 VAL CA C 154 61.752 61.752 61.395 0.357 25854 1268 1 3 . 1 1 154 154 VAL CB C 154 33.585 33.585 32.773 0.812 25854 1269 1 3 . 1 1 154 154 VAL H H 154 8.557 8.557 9.066 -0.509 25854 1270 1 3 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.847 0.307 25854 1271 1 3 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.583 0.260 25854 1272 1 3 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.571 1.077 25854 1273 1 3 . 1 1 155 155 LYS H H 155 8.951 8.951 8.782 0.169 25854 1274 1 3 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.149 -0.114 25854 1275 1 3 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.086 0.071 25854 1276 1 3 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.544 2.013 25854 1277 1 3 . 1 1 156 156 ILE H H 156 9.538 9.538 8.958 0.580 25854 1278 1 3 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.447 0.654 25854 1279 1 3 . 1 1 157 157 ILE CA C 157 60.689 60.689 60.074 0.615 25854 1280 1 3 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.208 1.286 25854 1281 1 3 . 1 1 157 157 ILE H H 157 9.468 9.468 8.196 1.272 25854 1282 1 3 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.425 0.384 25854 1283 1 3 . 1 1 158 158 GLY H H 158 8.236 8.236 8.196 0.040 25854 1284 1 3 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.651 -0.106 25854 1285 1 3 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.685 1.690 25854 1286 1 3 . 1 1 159 159 HIS CB C 159 31.460 31.460 33.155 -1.695 25854 1287 1 3 . 1 1 159 159 HIS H H 159 7.986 7.986 8.682 -0.696 25854 1288 1 3 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.854 -0.668 25854 1289 1 3 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.332 0.951 25854 1290 1 3 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.749 0.619 25854 1291 1 3 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.028 -0.588 25854 1292 1 3 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.734 0.549 25854 1293 1 3 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.986 0.851 25854 1294 1 3 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.115 -0.063 25854 1295 1 3 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.514 0.329 25854 1296 1 3 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.375 0.330 25854 1297 1 3 . 1 1 162 162 ALA H H 162 7.458 7.458 8.129 -0.671 25854 1298 1 3 . 1 1 163 163 SER HA H 163 3.832 3.832 4.113 -0.281 25854 1299 1 3 . 1 1 163 163 SER CA C 163 60.050 60.050 61.819 -1.769 25854 1300 1 3 . 1 1 163 163 SER CB C 163 63.346 63.346 63.150 0.196 25854 1301 1 3 . 1 1 163 163 SER H H 163 8.403 8.403 8.520 -0.117 25854 1302 1 3 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.058 -0.448 25854 1303 1 3 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.592 -0.029 25854 1304 1 3 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.399 -21.805 25854 1305 1 3 . 1 1 165 165 MET HA H 165 4.048 4.048 4.187 -0.139 25854 1306 1 3 . 1 1 165 165 MET CA C 165 58.563 58.563 58.732 -0.169 25854 1307 1 3 . 1 1 165 165 MET CB C 165 31.991 31.991 32.547 -0.556 25854 1308 1 3 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.964 -0.046 25854 1309 1 3 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.182 -0.106 25854 1310 1 3 . 1 1 166 166 ALA H H 166 8.208 8.208 8.396 -0.188 25854 1311 1 3 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.917 -0.289 25854 1312 1 3 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.579 0.578 25854 1313 1 3 . 1 1 167 167 GLN H H 167 8.393 8.393 8.672 -0.279 25854 1314 1 3 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.076 -0.186 25854 1315 1 3 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.879 -5.843 25854 1316 1 3 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.895 -0.030 25854 1317 1 3 . 1 1 168 168 ARG H H 168 8.220 8.220 7.675 0.545 25854 1318 1 3 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.332 -0.199 25854 1319 1 3 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.703 -0.140 25854 1320 1 3 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.103 -0.112 25854 1321 1 3 . 1 1 169 169 LYS H H 169 8.042 8.042 7.509 0.533 25854 1322 1 3 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.802 -0.272 25854 1323 1 3 . 1 1 170 170 ILE CA C 170 65.472 65.472 63.978 1.494 25854 1324 1 3 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.891 -1.117 25854 1325 1 3 . 1 1 170 170 ILE H H 170 8.190 8.190 8.167 0.023 25854 1326 1 3 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.986 -0.119 25854 1327 1 3 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.253 1.798 25854 1328 1 3 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.036 0.298 25854 1329 1 3 . 1 1 171 171 ARG H H 171 7.984 7.984 7.936 0.048 25854 1330 1 3 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.444 -0.015 25854 1331 1 3 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.464 0.036 25854 1332 1 3 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.744 -0.250 25854 1333 1 3 . 1 1 172 172 ASP H H 172 7.993 7.993 7.796 0.197 25854 1334 1 3 . 1 1 173 173 ILE HA H 173 3.650 3.650 4.020 -0.370 25854 1335 1 3 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.090 1.382 25854 1336 1 3 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.529 0.839 25854 1337 1 3 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.948 -0.053 25854 1338 1 3 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.300 -0.800 25854 1339 1 3 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.542 0.484 25854 1340 1 3 . 1 1 174 174 LEU H H 174 8.270 8.270 7.743 0.527 25854 1341 1 3 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.960 0.184 25854 1342 1 3 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.068 -1.012 25854 1343 1 3 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.142 0.563 25854 1344 1 3 . 1 1 175 175 ALA H H 175 7.960 7.960 7.643 0.317 25854 1345 1 3 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.030 0.063 25854 1346 1 3 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.679 -0.625 25854 1347 1 3 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.689 0.382 25854 1348 1 3 . 1 1 176 176 GLN H H 176 7.696 7.696 7.525 0.171 25854 1349 1 3 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.538 0.287 25854 1350 1 3 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.743 -1.692 25854 1351 1 3 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.626 1.442 25854 1352 1 3 . 1 1 177 177 VAL H H 177 7.850 7.850 8.225 -0.375 25854 1353 1 3 . 1 1 179 179 GLN H H 179 7.862 7.862 8.059 -0.197 25854 1354 1 4 . 1 1 22 22 GLN H H 22 8.152 8.152 8.277 -0.125 25854 1355 1 4 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.517 0.059 25854 1356 1 4 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.342 -0.237 25854 1357 1 4 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.521 1.910 25854 1358 1 4 . 1 1 23 23 GLU H H 23 7.926 7.926 8.552 -0.626 25854 1359 1 4 . 1 1 24 24 THR HA H 24 5.298 5.298 5.271 0.027 25854 1360 1 4 . 1 1 24 24 THR CA C 24 62.286 62.286 62.039 0.247 25854 1361 1 4 . 1 1 24 24 THR CB C 24 70.759 70.759 69.804 0.955 25854 1362 1 4 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.552 -0.117 25854 1363 1 4 . 1 1 25 25 VAL CA C 25 60.621 60.621 61.117 -0.496 25854 1364 1 4 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.630 -0.608 25854 1365 1 4 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.506 0.033 25854 1366 1 4 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.092 -1.950 25854 1367 1 4 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.322 0.395 25854 1368 1 4 . 1 1 27 27 VAL CA C 27 60.635 60.635 60.876 -0.241 25854 1369 1 4 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.776 1.462 25854 1370 1 4 . 1 1 27 27 VAL H H 27 9.339 9.339 8.995 0.344 25854 1371 1 4 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.540 0.371 25854 1372 1 4 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.064 0.661 25854 1373 1 4 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.159 -0.250 25854 1374 1 4 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.770 0.116 25854 1375 1 4 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.730 0.383 25854 1376 1 4 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.191 -1.276 25854 1377 1 4 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.317 0.191 25854 1378 1 4 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.045 -0.136 25854 1379 1 4 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.494 0.347 25854 1380 1 4 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.956 -0.363 25854 1381 1 4 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.773 0.723 25854 1382 1 4 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.873 -0.802 25854 1383 1 4 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.285 -0.102 25854 1384 1 4 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.417 -0.076 25854 1385 1 4 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.927 -1.060 25854 1386 1 4 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.458 -0.500 25854 1387 1 4 . 1 1 33 33 ALA CA C 33 51.416 51.416 53.296 -1.880 25854 1388 1 4 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.993 -0.909 25854 1389 1 4 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.616 -0.730 25854 1390 1 4 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.597 1.744 25854 1391 1 4 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.695 -0.173 25854 1392 1 4 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.258 -0.359 25854 1393 1 4 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.394 -1.401 25854 1394 1 4 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.822 -0.584 25854 1395 1 4 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.311 -0.063 25854 1396 1 4 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.758 -0.307 25854 1397 1 4 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.541 -2.024 25854 1398 1 4 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.980 -1.669 25854 1399 1 4 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.812 0.077 25854 1400 1 4 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.758 0.823 25854 1401 1 4 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.719 0.120 25854 1402 1 4 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.650 2.502 25854 1403 1 4 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.927 0.653 25854 1404 1 4 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.767 -0.397 25854 1405 1 4 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.539 0.261 25854 1406 1 4 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.380 -0.038 25854 1407 1 4 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.028 -2.795 25854 1408 1 4 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.838 0.050 25854 1409 1 4 . 1 1 45 45 ILE CA C 45 64.638 64.638 65.483 -0.845 25854 1410 1 4 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.941 -0.691 25854 1411 1 4 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.080 0.056 25854 1412 1 4 . 1 1 46 46 LYS CA C 46 59.603 59.603 59.305 0.298 25854 1413 1 4 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.125 0.345 25854 1414 1 4 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.111 -0.077 25854 1415 1 4 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.676 -0.634 25854 1416 1 4 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.264 -0.179 25854 1417 1 4 . 1 1 48 48 LEU CB C 48 42.371 42.371 42.001 0.370 25854 1418 1 4 . 1 1 49 49 SER HA H 49 4.183 4.183 4.207 -0.024 25854 1419 1 4 . 1 1 49 49 SER CA C 49 61.932 61.932 61.359 0.573 25854 1420 1 4 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.178 -0.019 25854 1421 1 4 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.059 0.372 25854 1422 1 4 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.063 0.089 25854 1423 1 4 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.357 -0.035 25854 1424 1 4 . 1 1 51 51 PHE CA C 51 59.819 59.819 59.793 0.026 25854 1425 1 4 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.691 0.834 25854 1426 1 4 . 1 1 52 52 ALA HA H 52 3.763 3.763 3.748 0.015 25854 1427 1 4 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.256 0.122 25854 1428 1 4 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.373 0.005 25854 1429 1 4 . 1 1 52 52 ALA H H 52 8.465 8.465 8.022 0.443 25854 1430 1 4 . 1 1 53 53 SER CB C 53 61.826 61.826 60.628 1.198 25854 1431 1 4 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.597 0.335 25854 1432 1 4 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.884 -1.751 25854 1433 1 4 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.251 1.147 25854 1434 1 4 . 1 1 55 55 SER HA H 55 4.766 4.766 4.823 -0.057 25854 1435 1 4 . 1 1 55 55 SER CB C 55 63.541 63.541 62.615 0.926 25854 1436 1 4 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.587 0.405 25854 1437 1 4 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.562 -0.371 25854 1438 1 4 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.222 1.289 25854 1439 1 4 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.681 0.073 25854 1440 1 4 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.448 0.207 25854 1441 1 4 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.292 0.034 25854 1442 1 4 . 1 1 57 57 LYS H H 57 8.732 8.732 8.615 0.117 25854 1443 1 4 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.086 0.625 25854 1444 1 4 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.573 1.024 25854 1445 1 4 . 1 1 58 58 ILE CB C 58 37.464 37.464 36.614 0.850 25854 1446 1 4 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.701 -0.193 25854 1447 1 4 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.478 2.210 25854 1448 1 4 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.909 -0.550 25854 1449 1 4 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.232 -0.193 25854 1450 1 4 . 1 1 62 62 GLU CA C 62 58.958 58.958 57.924 1.034 25854 1451 1 4 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.975 0.455 25854 1452 1 4 . 1 1 63 63 THR HA H 63 4.786 4.786 4.734 0.052 25854 1453 1 4 . 1 1 63 63 THR CA C 63 58.498 58.498 59.227 -0.729 25854 1454 1 4 . 1 1 63 63 THR CB C 63 69.943 69.943 70.438 -0.495 25854 1455 1 4 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.417 -0.128 25854 1456 1 4 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.099 0.634 25854 1457 1 4 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.926 -0.253 25854 1458 1 4 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.621 0.019 25854 1459 1 4 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.562 -1.703 25854 1460 1 4 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.727 -0.267 25854 1461 1 4 . 1 1 65 65 ASP H H 65 7.985 7.985 8.212 -0.227 25854 1462 1 4 . 1 1 66 66 SER CB C 66 63.942 63.942 63.477 0.465 25854 1463 1 4 . 1 1 66 66 SER H H 66 7.515 7.515 7.651 -0.136 25854 1464 1 4 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.276 0.067 25854 1465 1 4 . 1 1 67 67 LYS CA C 67 57.242 57.242 55.533 1.709 25854 1466 1 4 . 1 1 67 67 LYS CB C 67 32.803 32.803 31.540 1.263 25854 1467 1 4 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.090 1.103 25854 1468 1 4 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.167 -1.196 25854 1469 1 4 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.441 1.775 25854 1470 1 4 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.527 0.165 25854 1471 1 4 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.283 -2.010 25854 1472 1 4 . 1 1 69 69 ARG CB C 69 32.761 32.761 34.179 -1.419 25854 1473 1 4 . 1 1 70 70 MET HA H 70 3.798 3.798 5.327 -1.529 25854 1474 1 4 . 1 1 70 70 MET CA C 70 55.444 55.444 54.910 0.534 25854 1475 1 4 . 1 1 70 70 MET CB C 70 36.034 36.034 34.497 1.537 25854 1476 1 4 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.485 -0.173 25854 1477 1 4 . 1 1 71 71 VAL CA C 71 60.897 60.897 59.886 1.011 25854 1478 1 4 . 1 1 72 72 VAL HA H 72 4.662 4.662 3.964 0.698 25854 1479 1 4 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.699 0.067 25854 1480 1 4 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.161 -0.697 25854 1481 1 4 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.279 -0.346 25854 1482 1 4 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.967 1.823 25854 1483 1 4 . 1 1 73 73 ILE CB C 73 40.101 40.101 40.078 0.023 25854 1484 1 4 . 1 1 73 73 ILE H H 73 8.981 8.981 8.533 0.448 25854 1485 1 4 . 1 1 74 74 THR HA H 74 5.630 5.630 5.091 0.539 25854 1486 1 4 . 1 1 74 74 THR CA C 74 60.813 60.813 61.199 -0.386 25854 1487 1 4 . 1 1 74 74 THR CB C 74 70.966 70.966 70.239 0.727 25854 1488 1 4 . 1 1 74 74 THR H H 74 9.227 9.227 8.875 0.352 25854 1489 1 4 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.031 1.001 25854 1490 1 4 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.892 0.277 25854 1491 1 4 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.321 1.127 25854 1492 1 4 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.750 -0.183 25854 1493 1 4 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.145 -0.185 25854 1494 1 4 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.322 0.764 25854 1495 1 4 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.091 0.044 25854 1496 1 4 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.277 0.622 25854 1497 1 4 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.139 -0.109 25854 1498 1 4 . 1 1 78 78 GLU H H 78 9.555 9.555 8.952 0.603 25854 1499 1 4 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.273 0.096 25854 1500 1 4 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.878 -0.605 25854 1501 1 4 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.550 1.579 25854 1502 1 4 . 1 1 79 79 ALA H H 79 7.018 7.018 7.877 -0.859 25854 1503 1 4 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.043 -0.261 25854 1504 1 4 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.614 -0.473 25854 1505 1 4 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.198 -0.094 25854 1506 1 4 . 1 1 81 81 PHE CA C 81 61.409 61.409 62.633 -1.224 25854 1507 1 4 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.035 0.495 25854 1508 1 4 . 1 1 81 81 PHE H H 81 8.005 8.005 8.261 -0.256 25854 1509 1 4 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.041 -0.044 25854 1510 1 4 . 1 1 82 82 LYS CA C 82 60.011 60.011 58.957 1.054 25854 1511 1 4 . 1 1 83 83 ALA HA H 83 3.937 3.937 3.978 -0.041 25854 1512 1 4 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.002 0.237 25854 1513 1 4 . 1 1 83 83 ALA CB C 83 19.027 19.027 17.941 1.086 25854 1514 1 4 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.751 0.675 25854 1515 1 4 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.230 -0.075 25854 1516 1 4 . 1 1 86 86 ARG CA C 86 57.053 57.053 56.728 0.325 25854 1517 1 4 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.746 0.427 25854 1518 1 4 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.792 -0.308 25854 1519 1 4 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.323 2.379 25854 1520 1 4 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.459 -0.077 25854 1521 1 4 . 1 1 87 87 ILE H H 87 7.681 7.681 7.662 0.019 25854 1522 1 4 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.212 -0.414 25854 1523 1 4 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.673 1.314 25854 1524 1 4 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.613 0.491 25854 1525 1 4 . 1 1 88 88 TYR H H 88 8.021 8.021 8.379 -0.358 25854 1526 1 4 . 1 1 89 89 GLY H H 89 8.005 8.005 7.853 0.152 25854 1527 1 4 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.240 -0.063 25854 1528 1 4 . 1 1 90 90 LYS CA C 90 57.418 57.418 57.298 0.120 25854 1529 1 4 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.869 -0.479 25854 1530 1 4 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.328 -0.190 25854 1531 1 4 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.831 -0.026 25854 1532 1 4 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.264 -0.531 25854 1533 1 4 . 1 1 91 91 LEU H H 91 7.545 7.545 7.590 -0.045 25854 1534 1 4 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.334 -0.018 25854 1535 1 4 . 1 1 92 92 LYS CA C 92 58.765 58.765 57.222 1.543 25854 1536 1 4 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.716 0.418 25854 1537 1 4 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.080 0.005 25854 1538 1 4 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.437 0.501 25854 1539 1 4 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.086 0.173 25854 1540 1 4 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.343 0.052 25854 1541 1 4 . 1 1 94 94 GLU CB C 94 29.535 29.535 28.991 0.544 25854 1542 1 4 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.427 0.081 25854 1543 1 4 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.223 1.276 25854 1544 1 4 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.924 0.130 25854 1545 1 4 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.115 0.042 25854 1546 1 4 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.233 0.397 25854 1547 1 4 . 1 1 96 96 PHE CB C 96 38.473 38.473 38.708 -0.235 25854 1548 1 4 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.789 -0.238 25854 1549 1 4 . 1 1 97 97 PHE CA C 97 57.092 57.092 57.237 -0.145 25854 1550 1 4 . 1 1 97 97 PHE CB C 97 41.072 41.072 38.068 3.004 25854 1551 1 4 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.937 -0.191 25854 1552 1 4 . 1 1 98 98 GLY H H 98 8.539 8.539 7.458 1.081 25854 1553 1 4 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.644 -0.266 25854 1554 1 4 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.411 0.529 25854 1555 1 4 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.165 -0.174 25854 1556 1 4 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.222 0.137 25854 1557 1 4 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.666 -0.761 25854 1558 1 4 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.074 -0.083 25854 1559 1 4 . 1 1 100 100 LYS H H 100 8.622 8.622 8.029 0.593 25854 1560 1 4 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.278 0.110 25854 1561 1 4 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.566 -0.660 25854 1562 1 4 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.269 2.254 25854 1563 1 4 . 1 1 101 101 GLU H H 101 7.569 7.569 7.917 -0.348 25854 1564 1 4 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.175 0.121 25854 1565 1 4 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.833 -1.458 25854 1566 1 4 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.047 0.350 25854 1567 1 4 . 1 1 102 102 GLU H H 102 8.440 8.440 8.712 -0.272 25854 1568 1 4 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.737 -0.969 25854 1569 1 4 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.312 0.034 25854 1570 1 4 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.289 -0.299 25854 1571 1 4 . 1 1 103 103 VAL H H 103 8.552 8.552 8.407 0.145 25854 1572 1 4 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.646 -0.032 25854 1573 1 4 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.070 1.305 25854 1574 1 4 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.628 3.552 25854 1575 1 4 . 1 1 104 104 LYS H H 104 6.924 6.924 7.951 -1.027 25854 1576 1 4 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.656 0.255 25854 1577 1 4 . 1 1 105 105 LEU CA C 105 52.717 52.717 52.941 -0.224 25854 1578 1 4 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.767 0.510 25854 1579 1 4 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.288 0.620 25854 1580 1 4 . 1 1 106 106 GLU CA C 106 57.055 57.055 56.963 0.092 25854 1581 1 4 . 1 1 106 106 GLU CB C 106 32.070 32.070 29.823 2.247 25854 1582 1 4 . 1 1 106 106 GLU H H 106 8.982 8.982 8.875 0.107 25854 1583 1 4 . 1 1 107 107 THR HA H 107 5.524 5.524 4.770 0.754 25854 1584 1 4 . 1 1 107 107 THR CA C 107 61.220 61.220 61.709 -0.489 25854 1585 1 4 . 1 1 107 107 THR CB C 107 71.849 71.849 70.633 1.216 25854 1586 1 4 . 1 1 107 107 THR H H 107 9.357 9.357 8.706 0.651 25854 1587 1 4 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.406 0.655 25854 1588 1 4 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.470 -1.221 25854 1589 1 4 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.667 3.513 25854 1590 1 4 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.708 -0.068 25854 1591 1 4 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.261 -0.166 25854 1592 1 4 . 1 1 109 109 ILE CB C 109 41.026 41.026 39.046 1.980 25854 1593 1 4 . 1 1 109 109 ILE H H 109 8.818 8.818 8.770 0.048 25854 1594 1 4 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.947 0.287 25854 1595 1 4 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.448 -0.605 25854 1596 1 4 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.035 1.956 25854 1597 1 4 . 1 1 110 110 ARG H H 110 8.568 8.568 8.878 -0.310 25854 1598 1 4 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.894 -0.020 25854 1599 1 4 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.002 -1.033 25854 1600 1 4 . 1 1 111 111 VAL CB C 111 33.585 33.585 33.769 -0.184 25854 1601 1 4 . 1 1 111 111 VAL H H 111 8.935 8.935 8.919 0.016 25854 1602 1 4 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.231 0.268 25854 1603 1 4 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.522 -0.175 25854 1604 1 4 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.682 0.309 25854 1605 1 4 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.986 -0.076 25854 1606 1 4 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.404 0.502 25854 1607 1 4 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.545 -0.371 25854 1608 1 4 . 1 1 113 113 ALA H H 113 9.220 9.220 8.033 1.187 25854 1609 1 4 . 1 1 114 114 SER HA H 114 4.210 4.210 4.341 -0.131 25854 1610 1 4 . 1 1 114 114 SER CA C 114 60.157 60.157 59.856 0.301 25854 1611 1 4 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.075 0.410 25854 1612 1 4 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.422 -2.236 25854 1613 1 4 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.301 1.998 25854 1614 1 4 . 1 1 115 115 ALA H H 115 7.752 7.752 7.887 -0.135 25854 1615 1 4 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.028 -0.441 25854 1616 1 4 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.062 0.313 25854 1617 1 4 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.140 0.034 25854 1618 1 4 . 1 1 116 116 ALA H H 116 7.429 7.429 7.653 -0.224 25854 1619 1 4 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.493 -0.153 25854 1620 1 4 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.362 -0.185 25854 1621 1 4 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.490 -0.093 25854 1622 1 4 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.816 -0.164 25854 1623 1 4 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.860 0.080 25854 1624 1 4 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.782 0.209 25854 1625 1 4 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.747 0.080 25854 1626 1 4 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.127 1.304 25854 1627 1 4 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.049 -0.987 25854 1628 1 4 . 1 1 121 121 GLY H H 121 7.924 7.924 7.406 0.518 25854 1629 1 4 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.430 -0.283 25854 1630 1 4 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.698 0.221 25854 1631 1 4 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.359 0.129 25854 1632 1 4 . 1 1 128 128 ASN CA C 128 55.375 55.375 57.022 -1.647 25854 1633 1 4 . 1 1 128 128 ASN CB C 128 38.368 38.368 37.914 0.453 25854 1634 1 4 . 1 1 128 128 ASN H H 128 8.050 8.050 7.729 0.321 25854 1635 1 4 . 1 1 129 129 GLU H H 129 8.138 8.138 7.636 0.502 25854 1636 1 4 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.894 0.166 25854 1637 1 4 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.698 0.390 25854 1638 1 4 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.236 0.058 25854 1639 1 4 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.518 0.577 25854 1640 1 4 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.604 0.677 25854 1641 1 4 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.333 -0.062 25854 1642 1 4 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.215 0.936 25854 1643 1 4 . 1 1 134 134 THR HA H 134 4.324 4.324 4.169 0.155 25854 1644 1 4 . 1 1 134 134 THR CA C 134 61.752 61.752 63.411 -1.659 25854 1645 1 4 . 1 1 134 134 THR CB C 134 70.047 70.047 70.444 -0.397 25854 1646 1 4 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.982 0.125 25854 1647 1 4 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.917 0.863 25854 1648 1 4 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.854 1.320 25854 1649 1 4 . 1 1 135 135 ALA H H 135 8.013 8.013 7.637 0.376 25854 1650 1 4 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.622 -0.083 25854 1651 1 4 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.510 0.613 25854 1652 1 4 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.764 -1.996 25854 1653 1 4 . 1 1 136 136 ALA H H 136 8.011 8.011 7.290 0.721 25854 1654 1 4 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.591 -0.160 25854 1655 1 4 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.165 5.078 25854 1656 1 4 . 1 1 137 137 GLU H H 137 8.439 8.439 8.539 -0.100 25854 1657 1 4 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.474 0.408 25854 1658 1 4 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.712 -0.492 25854 1659 1 4 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.293 1.292 25854 1660 1 4 . 1 1 138 138 VAL H H 138 8.280 8.280 8.718 -0.438 25854 1661 1 4 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.481 -0.260 25854 1662 1 4 . 1 1 139 139 VAL CA C 139 60.689 60.689 59.751 0.938 25854 1663 1 4 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.884 0.359 25854 1664 1 4 . 1 1 139 139 VAL H H 139 9.055 9.055 8.886 0.169 25854 1665 1 4 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.701 -0.079 25854 1666 1 4 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.239 1.324 25854 1667 1 4 . 1 1 140 140 VAL CB C 140 31.991 31.991 35.385 -3.394 25854 1668 1 4 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.487 -0.258 25854 1669 1 4 . 1 1 141 141 PRO CA C 141 63.346 63.346 63.215 0.131 25854 1670 1 4 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.194 -0.734 25854 1671 1 4 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.282 -0.048 25854 1672 1 4 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.234 -0.797 25854 1673 1 4 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.558 1.371 25854 1674 1 4 . 1 1 142 142 ARG H H 142 8.499 8.499 8.661 -0.162 25854 1675 1 4 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.700 -0.290 25854 1676 1 4 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.139 0.173 25854 1677 1 4 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.756 -1.325 25854 1678 1 4 . 1 1 143 143 ASP H H 143 8.691 8.691 8.047 0.644 25854 1679 1 4 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.516 -0.151 25854 1680 1 4 . 1 1 144 144 GLN CA C 144 55.056 55.056 55.318 -0.262 25854 1681 1 4 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.186 1.883 25854 1682 1 4 . 1 1 144 144 GLN H H 144 7.898 7.898 7.493 0.405 25854 1683 1 4 . 1 1 145 145 THR HA H 145 4.619 4.619 4.587 0.032 25854 1684 1 4 . 1 1 145 145 THR CA C 145 59.626 59.626 60.617 -0.991 25854 1685 1 4 . 1 1 145 145 THR CB C 145 70.255 70.255 68.947 1.308 25854 1686 1 4 . 1 1 145 145 THR H H 145 8.695 8.695 8.207 0.488 25854 1687 1 4 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.750 -0.410 25854 1688 1 4 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.402 0.413 25854 1689 1 4 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.335 0.214 25854 1690 1 4 . 1 1 147 147 ASP CA C 147 52.717 52.717 56.090 -3.373 25854 1691 1 4 . 1 1 147 147 ASP CB C 147 41.026 41.026 41.002 0.024 25854 1692 1 4 . 1 1 147 147 ASP H H 147 8.506 8.506 8.622 -0.116 25854 1693 1 4 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.122 0.048 25854 1694 1 4 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.301 0.262 25854 1695 1 4 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.696 -1.425 25854 1696 1 4 . 1 1 148 148 GLU H H 148 9.159 9.159 8.157 1.002 25854 1697 1 4 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.750 0.186 25854 1698 1 4 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.995 -0.278 25854 1699 1 4 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.739 -0.307 25854 1700 1 4 . 1 1 149 149 ASN H H 149 8.364 8.364 7.621 0.743 25854 1701 1 4 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.955 -0.184 25854 1702 1 4 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.647 -0.147 25854 1703 1 4 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.185 0.665 25854 1704 1 4 . 1 1 150 150 GLU H H 150 8.542 8.542 7.742 0.800 25854 1705 1 4 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.066 -0.045 25854 1706 1 4 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.013 -0.170 25854 1707 1 4 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.363 -1.294 25854 1708 1 4 . 1 1 151 151 GLN H H 151 8.441 8.441 7.663 0.778 25854 1709 1 4 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.578 0.004 25854 1710 1 4 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.491 0.072 25854 1711 1 4 . 1 1 152 152 VAL CB C 152 34.117 34.117 34.763 -0.646 25854 1712 1 4 . 1 1 152 152 VAL H H 152 8.999 8.999 9.214 -0.215 25854 1713 1 4 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.614 0.014 25854 1714 1 4 . 1 1 153 153 ILE CA C 153 61.220 61.220 60.069 1.151 25854 1715 1 4 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.292 0.202 25854 1716 1 4 . 1 1 153 153 ILE H H 153 8.972 8.972 8.192 0.780 25854 1717 1 4 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.432 -0.198 25854 1718 1 4 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.962 1.790 25854 1719 1 4 . 1 1 154 154 VAL CB C 154 33.585 33.585 33.227 0.358 25854 1720 1 4 . 1 1 154 154 VAL H H 154 8.557 8.557 8.753 -0.196 25854 1721 1 4 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.124 0.030 25854 1722 1 4 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.758 0.085 25854 1723 1 4 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.446 1.202 25854 1724 1 4 . 1 1 155 155 LYS H H 155 8.951 8.951 9.013 -0.062 25854 1725 1 4 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.143 -0.108 25854 1726 1 4 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.304 -0.147 25854 1727 1 4 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.225 2.332 25854 1728 1 4 . 1 1 156 156 ILE H H 156 9.538 9.538 8.927 0.611 25854 1729 1 4 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.540 0.560 25854 1730 1 4 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.774 0.915 25854 1731 1 4 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.520 0.974 25854 1732 1 4 . 1 1 157 157 ILE H H 157 9.468 9.468 8.603 0.865 25854 1733 1 4 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.166 0.643 25854 1734 1 4 . 1 1 158 158 GLY H H 158 8.236 8.236 8.240 -0.004 25854 1735 1 4 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.094 0.451 25854 1736 1 4 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.932 1.443 25854 1737 1 4 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.348 0.112 25854 1738 1 4 . 1 1 159 159 HIS H H 159 7.986 7.986 8.190 -0.204 25854 1739 1 4 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.124 0.062 25854 1740 1 4 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.646 1.637 25854 1741 1 4 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.056 1.312 25854 1742 1 4 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.969 -0.529 25854 1743 1 4 . 1 1 161 161 TYR CA C 161 62.283 62.283 60.991 1.292 25854 1744 1 4 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.906 0.931 25854 1745 1 4 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.899 0.153 25854 1746 1 4 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.290 0.553 25854 1747 1 4 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.929 0.776 25854 1748 1 4 . 1 1 162 162 ALA H H 162 7.458 7.458 7.560 -0.102 25854 1749 1 4 . 1 1 163 163 SER HA H 163 3.832 3.832 3.985 -0.153 25854 1750 1 4 . 1 1 163 163 SER CA C 163 60.050 60.050 61.521 -1.471 25854 1751 1 4 . 1 1 163 163 SER CB C 163 63.346 63.346 63.119 0.227 25854 1752 1 4 . 1 1 163 163 SER H H 163 8.403 8.403 8.125 0.278 25854 1753 1 4 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.098 -0.488 25854 1754 1 4 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.455 0.108 25854 1755 1 4 . 1 1 164 164 GLN CB C 164 6.594 6.594 27.907 -21.313 25854 1756 1 4 . 1 1 165 165 MET HA H 165 4.048 4.048 4.294 -0.246 25854 1757 1 4 . 1 1 165 165 MET CA C 165 58.563 58.563 57.834 0.729 25854 1758 1 4 . 1 1 165 165 MET CB C 165 31.991 31.991 32.694 -0.703 25854 1759 1 4 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.950 -0.032 25854 1760 1 4 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.285 -0.209 25854 1761 1 4 . 1 1 166 166 ALA H H 166 8.208 8.208 8.058 0.150 25854 1762 1 4 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.914 -0.286 25854 1763 1 4 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.682 0.475 25854 1764 1 4 . 1 1 167 167 GLN H H 167 8.393 8.393 8.698 -0.305 25854 1765 1 4 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.121 -0.231 25854 1766 1 4 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.714 -5.678 25854 1767 1 4 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.819 0.046 25854 1768 1 4 . 1 1 168 168 ARG H H 168 8.220 8.220 7.660 0.560 25854 1769 1 4 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.311 -0.177 25854 1770 1 4 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.888 -0.325 25854 1771 1 4 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.047 -0.056 25854 1772 1 4 . 1 1 169 169 LYS H H 169 8.042 8.042 7.550 0.492 25854 1773 1 4 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.797 -0.267 25854 1774 1 4 . 1 1 170 170 ILE CA C 170 65.472 65.472 63.701 1.771 25854 1775 1 4 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.818 -1.044 25854 1776 1 4 . 1 1 170 170 ILE H H 170 8.190 8.190 8.389 -0.199 25854 1777 1 4 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.955 -0.088 25854 1778 1 4 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.775 1.276 25854 1779 1 4 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.123 0.210 25854 1780 1 4 . 1 1 171 171 ARG H H 171 7.984 7.984 8.261 -0.277 25854 1781 1 4 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.467 -0.038 25854 1782 1 4 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.483 0.017 25854 1783 1 4 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.980 -0.486 25854 1784 1 4 . 1 1 172 172 ASP H H 172 7.993 7.993 7.956 0.037 25854 1785 1 4 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.900 -0.250 25854 1786 1 4 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.785 1.687 25854 1787 1 4 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.506 0.862 25854 1788 1 4 . 1 1 174 174 LEU HA H 174 3.895 3.895 4.034 -0.139 25854 1789 1 4 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.864 -0.364 25854 1790 1 4 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.767 0.259 25854 1791 1 4 . 1 1 174 174 LEU H H 174 8.270 8.270 7.845 0.425 25854 1792 1 4 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.976 0.168 25854 1793 1 4 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.118 -1.062 25854 1794 1 4 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.157 0.548 25854 1795 1 4 . 1 1 175 175 ALA H H 175 7.960 7.960 7.820 0.140 25854 1796 1 4 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.026 0.067 25854 1797 1 4 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.592 -0.538 25854 1798 1 4 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.598 0.472 25854 1799 1 4 . 1 1 176 176 GLN H H 176 7.696 7.696 7.656 0.040 25854 1800 1 4 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.609 0.216 25854 1801 1 4 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.813 -2.762 25854 1802 1 4 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.301 0.767 25854 1803 1 4 . 1 1 177 177 VAL H H 177 7.850 7.850 7.518 0.332 25854 1804 1 4 . 1 1 179 179 GLN H H 179 7.862 7.862 8.194 -0.332 25854 1805 1 5 . 1 1 22 22 GLN H H 22 8.152 8.152 8.039 0.113 25854 1806 1 5 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.378 0.198 25854 1807 1 5 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.638 -0.533 25854 1808 1 5 . 1 1 23 23 GLU CB C 23 32.431 32.431 31.633 0.798 25854 1809 1 5 . 1 1 23 23 GLU H H 23 7.926 7.926 8.295 -0.369 25854 1810 1 5 . 1 1 24 24 THR HA H 24 5.298 5.298 5.550 -0.252 25854 1811 1 5 . 1 1 24 24 THR CA C 24 62.286 62.286 61.541 0.745 25854 1812 1 5 . 1 1 24 24 THR CB C 24 70.759 70.759 69.768 0.991 25854 1813 1 5 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.514 -0.079 25854 1814 1 5 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.488 0.133 25854 1815 1 5 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.394 -0.371 25854 1816 1 5 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.381 0.158 25854 1817 1 5 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.105 -1.963 25854 1818 1 5 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.134 0.583 25854 1819 1 5 . 1 1 27 27 VAL CA C 27 60.635 60.635 62.254 -1.619 25854 1820 1 5 . 1 1 27 27 VAL CB C 27 35.238 35.238 32.796 2.442 25854 1821 1 5 . 1 1 27 27 VAL H H 27 9.339 9.339 9.079 0.260 25854 1822 1 5 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.580 0.331 25854 1823 1 5 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.738 0.987 25854 1824 1 5 . 1 1 28 28 PHE CB C 28 38.909 38.909 40.194 -1.285 25854 1825 1 5 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.706 0.180 25854 1826 1 5 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.014 0.100 25854 1827 1 5 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.266 -1.351 25854 1828 1 5 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.326 0.182 25854 1829 1 5 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.889 0.021 25854 1830 1 5 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.703 0.138 25854 1831 1 5 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.891 -0.298 25854 1832 1 5 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.904 0.591 25854 1833 1 5 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.714 -0.643 25854 1834 1 5 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.084 0.099 25854 1835 1 5 . 1 1 32 32 GLN CA C 32 57.341 57.341 58.243 -0.902 25854 1836 1 5 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.622 -0.755 25854 1837 1 5 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.563 -0.605 25854 1838 1 5 . 1 1 33 33 ALA CA C 33 51.416 51.416 53.612 -2.196 25854 1839 1 5 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.250 -1.166 25854 1840 1 5 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.625 -0.739 25854 1841 1 5 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.228 2.114 25854 1842 1 5 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.341 0.181 25854 1843 1 5 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.197 -0.298 25854 1844 1 5 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.341 -1.348 25854 1845 1 5 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.835 -0.597 25854 1846 1 5 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.436 -0.189 25854 1847 1 5 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.767 -0.316 25854 1848 1 5 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.383 -1.866 25854 1849 1 5 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.891 -1.581 25854 1850 1 5 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.782 0.107 25854 1851 1 5 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.650 0.931 25854 1852 1 5 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.353 0.487 25854 1853 1 5 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.103 3.049 25854 1854 1 5 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.167 0.413 25854 1855 1 5 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.178 1.192 25854 1856 1 5 . 1 1 41 41 LYS CB C 41 32.800 32.800 30.592 2.208 25854 1857 1 5 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.278 0.064 25854 1858 1 5 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.760 -2.527 25854 1859 1 5 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.780 0.108 25854 1860 1 5 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.998 -0.360 25854 1861 1 5 . 1 1 45 45 ILE CB C 45 37.250 37.250 38.023 -0.772 25854 1862 1 5 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.109 0.027 25854 1863 1 5 . 1 1 46 46 LYS CA C 46 59.603 59.603 57.517 2.086 25854 1864 1 5 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.697 0.773 25854 1865 1 5 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.027 0.007 25854 1866 1 5 . 1 1 48 48 LEU HA H 48 4.042 4.042 3.219 0.823 25854 1867 1 5 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.516 0.569 25854 1868 1 5 . 1 1 48 48 LEU CB C 48 42.371 42.371 40.857 1.514 25854 1869 1 5 . 1 1 49 49 SER HA H 49 4.183 4.183 4.099 0.084 25854 1870 1 5 . 1 1 49 49 SER CA C 49 61.932 61.932 60.703 1.229 25854 1871 1 5 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.070 0.089 25854 1872 1 5 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.665 -0.234 25854 1873 1 5 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.541 -0.389 25854 1874 1 5 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.564 -0.242 25854 1875 1 5 . 1 1 51 51 PHE CA C 51 59.819 59.819 58.636 1.183 25854 1876 1 5 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.489 1.036 25854 1877 1 5 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.416 -0.653 25854 1878 1 5 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.893 0.485 25854 1879 1 5 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.237 0.141 25854 1880 1 5 . 1 1 52 52 ALA H H 52 8.465 8.465 7.259 1.206 25854 1881 1 5 . 1 1 53 53 SER CB C 53 61.826 61.826 62.144 -0.318 25854 1882 1 5 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.658 0.274 25854 1883 1 5 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.544 -1.411 25854 1884 1 5 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.511 1.887 25854 1885 1 5 . 1 1 55 55 SER HA H 55 4.766 4.766 4.559 0.207 25854 1886 1 5 . 1 1 55 55 SER CB C 55 63.541 63.541 62.649 0.892 25854 1887 1 5 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.121 0.871 25854 1888 1 5 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.815 -0.624 25854 1889 1 5 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.539 1.972 25854 1890 1 5 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.682 0.072 25854 1891 1 5 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.967 -0.312 25854 1892 1 5 . 1 1 57 57 LYS CB C 57 36.326 36.326 37.068 -0.742 25854 1893 1 5 . 1 1 57 57 LYS H H 57 8.732 8.732 8.228 0.504 25854 1894 1 5 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.236 0.475 25854 1895 1 5 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.324 1.273 25854 1896 1 5 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.270 -0.806 25854 1897 1 5 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.785 -0.277 25854 1898 1 5 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.213 2.475 25854 1899 1 5 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.873 -0.514 25854 1900 1 5 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.209 -0.170 25854 1901 1 5 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.170 0.787 25854 1902 1 5 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.702 0.728 25854 1903 1 5 . 1 1 63 63 THR HA H 63 4.786 4.786 4.715 0.071 25854 1904 1 5 . 1 1 63 63 THR CA C 63 58.498 58.498 58.542 -0.044 25854 1905 1 5 . 1 1 63 63 THR CB C 63 69.943 69.943 69.303 0.640 25854 1906 1 5 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.414 -0.125 25854 1907 1 5 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.039 0.694 25854 1908 1 5 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.988 -0.315 25854 1909 1 5 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.707 -0.067 25854 1910 1 5 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.383 -0.524 25854 1911 1 5 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.871 -0.411 25854 1912 1 5 . 1 1 65 65 ASP H H 65 7.985 7.985 8.170 -0.185 25854 1913 1 5 . 1 1 66 66 SER CB C 66 63.942 63.942 63.824 0.118 25854 1914 1 5 . 1 1 66 66 SER H H 66 7.515 7.515 7.514 0.001 25854 1915 1 5 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.257 0.086 25854 1916 1 5 . 1 1 67 67 LYS CA C 67 57.242 57.242 56.528 0.714 25854 1917 1 5 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.705 0.098 25854 1918 1 5 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.259 0.934 25854 1919 1 5 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.896 -0.924 25854 1920 1 5 . 1 1 68 68 VAL CB C 68 36.216 36.216 33.664 2.552 25854 1921 1 5 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.610 0.082 25854 1922 1 5 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.539 -2.266 25854 1923 1 5 . 1 1 69 69 ARG CB C 69 32.761 32.761 35.077 -2.316 25854 1924 1 5 . 1 1 70 70 MET HA H 70 3.798 3.798 5.515 -1.717 25854 1925 1 5 . 1 1 70 70 MET CA C 70 55.444 55.444 54.571 0.873 25854 1926 1 5 . 1 1 70 70 MET CB C 70 36.034 36.034 35.587 0.447 25854 1927 1 5 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.330 -0.018 25854 1928 1 5 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.396 -0.499 25854 1929 1 5 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.690 -0.028 25854 1930 1 5 . 1 1 72 72 VAL CA C 72 61.766 61.766 59.050 2.716 25854 1931 1 5 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.865 -1.401 25854 1932 1 5 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.356 -0.423 25854 1933 1 5 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.428 2.361 25854 1934 1 5 . 1 1 73 73 ILE CB C 73 40.101 40.101 41.216 -1.115 25854 1935 1 5 . 1 1 73 73 ILE H H 73 8.981 8.981 8.560 0.421 25854 1936 1 5 . 1 1 74 74 THR HA H 74 5.630 5.630 5.325 0.305 25854 1937 1 5 . 1 1 74 74 THR CA C 74 60.813 60.813 61.230 -0.417 25854 1938 1 5 . 1 1 74 74 THR CB C 74 70.966 70.966 69.857 1.109 25854 1939 1 5 . 1 1 74 74 THR H H 74 9.227 9.227 8.632 0.595 25854 1940 1 5 . 1 1 75 75 GLY CA C 75 45.032 45.032 43.910 1.122 25854 1941 1 5 . 1 1 76 76 PRO HA H 76 5.169 5.169 5.155 0.014 25854 1942 1 5 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.012 1.436 25854 1943 1 5 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.212 -0.645 25854 1944 1 5 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.149 -0.189 25854 1945 1 5 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.926 1.160 25854 1946 1 5 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.143 -0.008 25854 1947 1 5 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.211 0.688 25854 1948 1 5 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.183 -0.153 25854 1949 1 5 . 1 1 78 78 GLU H H 78 9.555 9.555 8.560 0.995 25854 1950 1 5 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.213 0.156 25854 1951 1 5 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.553 -0.280 25854 1952 1 5 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.114 2.015 25854 1953 1 5 . 1 1 79 79 ALA H H 79 7.018 7.018 7.808 -0.790 25854 1954 1 5 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.019 -0.237 25854 1955 1 5 . 1 1 80 80 GLN CA C 80 58.141 58.141 59.286 -1.145 25854 1956 1 5 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.226 -0.122 25854 1957 1 5 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.607 0.802 25854 1958 1 5 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.951 0.579 25854 1959 1 5 . 1 1 81 81 PHE H H 81 8.005 8.005 7.858 0.147 25854 1960 1 5 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.817 0.180 25854 1961 1 5 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.668 0.343 25854 1962 1 5 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.127 -0.190 25854 1963 1 5 . 1 1 83 83 ALA CA C 83 55.239 55.239 54.992 0.247 25854 1964 1 5 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.560 0.467 25854 1965 1 5 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.434 0.992 25854 1966 1 5 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.167 -0.012 25854 1967 1 5 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.252 -0.199 25854 1968 1 5 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.809 0.364 25854 1969 1 5 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.821 -0.337 25854 1970 1 5 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.123 2.579 25854 1971 1 5 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.333 0.049 25854 1972 1 5 . 1 1 87 87 ILE H H 87 7.681 7.681 7.256 0.425 25854 1973 1 5 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.094 -0.296 25854 1974 1 5 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.606 1.381 25854 1975 1 5 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.340 0.764 25854 1976 1 5 . 1 1 88 88 TYR H H 88 8.021 8.021 7.973 0.048 25854 1977 1 5 . 1 1 89 89 GLY H H 89 8.005 8.005 7.808 0.197 25854 1978 1 5 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.044 0.133 25854 1979 1 5 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.832 -1.414 25854 1980 1 5 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.818 -0.428 25854 1981 1 5 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.252 -0.114 25854 1982 1 5 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.509 0.296 25854 1983 1 5 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.668 0.065 25854 1984 1 5 . 1 1 91 91 LEU H H 91 7.545 7.545 7.545 0.000 25854 1985 1 5 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.432 -0.116 25854 1986 1 5 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.993 -0.229 25854 1987 1 5 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.115 0.019 25854 1988 1 5 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.189 -0.104 25854 1989 1 5 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.542 0.396 25854 1990 1 5 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.291 -0.032 25854 1991 1 5 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.470 -0.076 25854 1992 1 5 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.226 0.309 25854 1993 1 5 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.309 0.199 25854 1994 1 5 . 1 1 95 95 ASN CA C 95 55.499 55.499 55.176 0.323 25854 1995 1 5 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.517 0.537 25854 1996 1 5 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.370 -0.213 25854 1997 1 5 . 1 1 96 96 PHE CA C 96 61.630 61.630 59.946 1.684 25854 1998 1 5 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.437 -0.964 25854 1999 1 5 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.826 -0.275 25854 2000 1 5 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.200 0.892 25854 2001 1 5 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.007 2.065 25854 2002 1 5 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.650 0.096 25854 2003 1 5 . 1 1 98 98 GLY H H 98 8.539 8.539 8.305 0.234 25854 2004 1 5 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.409 -0.031 25854 2005 1 5 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.240 0.701 25854 2006 1 5 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.834 0.157 25854 2007 1 5 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.346 0.013 25854 2008 1 5 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.059 -0.153 25854 2009 1 5 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.575 -0.585 25854 2010 1 5 . 1 1 100 100 LYS H H 100 8.622 8.622 7.902 0.720 25854 2011 1 5 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.513 -0.125 25854 2012 1 5 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.127 0.779 25854 2013 1 5 . 1 1 101 101 GLU CB C 101 32.523 32.523 31.433 1.091 25854 2014 1 5 . 1 1 101 101 GLU H H 101 7.569 7.569 8.233 -0.664 25854 2015 1 5 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.494 -0.198 25854 2016 1 5 . 1 1 102 102 GLU CA C 102 55.375 55.375 55.979 -0.604 25854 2017 1 5 . 1 1 102 102 GLU CB C 102 30.397 30.397 29.722 0.675 25854 2018 1 5 . 1 1 102 102 GLU H H 102 8.440 8.440 8.812 -0.372 25854 2019 1 5 . 1 1 103 103 VAL HA H 103 2.768 2.768 4.016 -1.248 25854 2020 1 5 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.477 -0.131 25854 2021 1 5 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.796 -0.805 25854 2022 1 5 . 1 1 103 103 VAL H H 103 8.552 8.552 8.584 -0.032 25854 2023 1 5 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.771 -0.157 25854 2024 1 5 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.381 0.994 25854 2025 1 5 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.669 3.511 25854 2026 1 5 . 1 1 104 104 LYS H H 104 6.924 6.924 8.466 -1.542 25854 2027 1 5 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.647 0.264 25854 2028 1 5 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.443 -0.726 25854 2029 1 5 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.173 1.104 25854 2030 1 5 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.842 0.066 25854 2031 1 5 . 1 1 106 106 GLU CA C 106 57.055 57.055 57.022 0.033 25854 2032 1 5 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.348 1.722 25854 2033 1 5 . 1 1 106 106 GLU H H 106 8.982 8.982 8.983 -0.001 25854 2034 1 5 . 1 1 107 107 THR HA H 107 5.524 5.524 4.817 0.707 25854 2035 1 5 . 1 1 107 107 THR CA C 107 61.220 61.220 61.760 -0.540 25854 2036 1 5 . 1 1 107 107 THR CB C 107 71.849 71.849 70.528 1.321 25854 2037 1 5 . 1 1 107 107 THR H H 107 9.357 9.357 9.035 0.322 25854 2038 1 5 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.515 0.546 25854 2039 1 5 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.550 -1.302 25854 2040 1 5 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.140 4.040 25854 2041 1 5 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.732 -0.092 25854 2042 1 5 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.018 0.077 25854 2043 1 5 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.170 -0.144 25854 2044 1 5 . 1 1 109 109 ILE H H 109 8.818 8.818 9.056 -0.238 25854 2045 1 5 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.255 -0.021 25854 2046 1 5 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.072 0.770 25854 2047 1 5 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.763 1.228 25854 2048 1 5 . 1 1 110 110 ARG H H 110 8.568 8.568 8.611 -0.043 25854 2049 1 5 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.790 0.084 25854 2050 1 5 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.100 -1.131 25854 2051 1 5 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.712 -1.127 25854 2052 1 5 . 1 1 111 111 VAL H H 111 8.935 8.935 8.950 -0.015 25854 2053 1 5 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.424 0.075 25854 2054 1 5 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.370 -0.024 25854 2055 1 5 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.767 0.224 25854 2056 1 5 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.967 -0.057 25854 2057 1 5 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.130 0.775 25854 2058 1 5 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.620 -0.446 25854 2059 1 5 . 1 1 113 113 ALA H H 113 9.220 9.220 8.817 0.403 25854 2060 1 5 . 1 1 114 114 SER HA H 114 4.210 4.210 4.203 0.007 25854 2061 1 5 . 1 1 114 114 SER CA C 114 60.157 60.157 59.742 0.415 25854 2062 1 5 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.053 0.432 25854 2063 1 5 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.122 -1.936 25854 2064 1 5 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.030 2.269 25854 2065 1 5 . 1 1 115 115 ALA H H 115 7.752 7.752 7.272 0.480 25854 2066 1 5 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.029 -0.442 25854 2067 1 5 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.437 -0.062 25854 2068 1 5 . 1 1 116 116 ALA CB C 116 18.174 18.174 17.967 0.207 25854 2069 1 5 . 1 1 116 116 ALA H H 116 7.429 7.429 8.082 -0.653 25854 2070 1 5 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.353 -0.013 25854 2071 1 5 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.248 -0.071 25854 2072 1 5 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.283 0.114 25854 2073 1 5 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.781 -0.129 25854 2074 1 5 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.799 0.141 25854 2075 1 5 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.204 -0.213 25854 2076 1 5 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.838 -0.011 25854 2077 1 5 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.234 1.196 25854 2078 1 5 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.521 -1.459 25854 2079 1 5 . 1 1 121 121 GLY H H 121 7.924 7.924 7.618 0.306 25854 2080 1 5 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.436 -0.289 25854 2081 1 5 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.804 0.115 25854 2082 1 5 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.393 0.095 25854 2083 1 5 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.838 -1.463 25854 2084 1 5 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.382 -0.014 25854 2085 1 5 . 1 1 128 128 ASN H H 128 8.050 8.050 7.752 0.298 25854 2086 1 5 . 1 1 129 129 GLU H H 129 8.138 8.138 7.699 0.439 25854 2087 1 5 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.978 0.082 25854 2088 1 5 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.934 0.154 25854 2089 1 5 . 1 1 131 131 GLN HA H 131 4.294 4.294 3.962 0.332 25854 2090 1 5 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.057 0.038 25854 2091 1 5 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.614 0.667 25854 2092 1 5 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.268 0.003 25854 2093 1 5 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.431 0.720 25854 2094 1 5 . 1 1 134 134 THR HA H 134 4.324 4.324 4.287 0.037 25854 2095 1 5 . 1 1 134 134 THR CA C 134 61.752 61.752 62.268 -0.516 25854 2096 1 5 . 1 1 134 134 THR CB C 134 70.047 70.047 70.673 -0.626 25854 2097 1 5 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.869 0.238 25854 2098 1 5 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.207 0.573 25854 2099 1 5 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.993 1.181 25854 2100 1 5 . 1 1 135 135 ALA H H 135 8.013 8.013 7.795 0.218 25854 2101 1 5 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.785 -0.246 25854 2102 1 5 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.514 0.609 25854 2103 1 5 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.845 -2.077 25854 2104 1 5 . 1 1 136 136 ALA H H 136 8.011 8.011 7.219 0.792 25854 2105 1 5 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.682 -0.251 25854 2106 1 5 . 1 1 137 137 GLU CB C 137 36.243 36.243 32.194 4.048 25854 2107 1 5 . 1 1 137 137 GLU H H 137 8.439 8.439 8.514 -0.075 25854 2108 1 5 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.916 -0.034 25854 2109 1 5 . 1 1 138 138 VAL CA C 138 61.220 61.220 60.035 1.185 25854 2110 1 5 . 1 1 138 138 VAL CB C 138 33.585 33.585 33.486 0.099 25854 2111 1 5 . 1 1 138 138 VAL H H 138 8.280 8.280 8.601 -0.321 25854 2112 1 5 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.517 -0.296 25854 2113 1 5 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.218 0.471 25854 2114 1 5 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.924 1.319 25854 2115 1 5 . 1 1 139 139 VAL H H 139 9.055 9.055 8.283 0.772 25854 2116 1 5 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.850 -0.228 25854 2117 1 5 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.929 0.634 25854 2118 1 5 . 1 1 140 140 VAL CB C 140 31.991 31.991 33.633 -1.642 25854 2119 1 5 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.469 -0.240 25854 2120 1 5 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.712 0.634 25854 2121 1 5 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.407 -0.948 25854 2122 1 5 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.170 0.064 25854 2123 1 5 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.529 -1.091 25854 2124 1 5 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.228 0.700 25854 2125 1 5 . 1 1 142 142 ARG H H 142 8.499 8.499 8.374 0.125 25854 2126 1 5 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.597 -0.187 25854 2127 1 5 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.119 0.193 25854 2128 1 5 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.861 -1.430 25854 2129 1 5 . 1 1 143 143 ASP H H 143 8.691 8.691 8.254 0.437 25854 2130 1 5 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.670 -0.305 25854 2131 1 5 . 1 1 144 144 GLN CA C 144 55.056 55.056 54.450 0.606 25854 2132 1 5 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.585 1.484 25854 2133 1 5 . 1 1 144 144 GLN H H 144 7.898 7.898 8.370 -0.472 25854 2134 1 5 . 1 1 145 145 THR HA H 145 4.619 4.619 4.012 0.607 25854 2135 1 5 . 1 1 145 145 THR CA C 145 59.626 59.626 62.431 -2.805 25854 2136 1 5 . 1 1 145 145 THR CB C 145 70.255 70.255 67.439 2.816 25854 2137 1 5 . 1 1 145 145 THR H H 145 8.695 8.695 8.597 0.098 25854 2138 1 5 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.410 -0.070 25854 2139 1 5 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.628 0.187 25854 2140 1 5 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.479 0.070 25854 2141 1 5 . 1 1 147 147 ASP CA C 147 52.717 52.717 54.279 -1.562 25854 2142 1 5 . 1 1 147 147 ASP CB C 147 41.026 41.026 38.811 2.215 25854 2143 1 5 . 1 1 147 147 ASP H H 147 8.506 8.506 8.717 -0.211 25854 2144 1 5 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.117 0.053 25854 2145 1 5 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.484 0.079 25854 2146 1 5 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.751 -1.480 25854 2147 1 5 . 1 1 148 148 GLU H H 148 9.159 9.159 8.069 1.090 25854 2148 1 5 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.868 0.068 25854 2149 1 5 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.599 0.118 25854 2150 1 5 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.952 0.479 25854 2151 1 5 . 1 1 149 149 ASN H H 149 8.364 8.364 7.930 0.434 25854 2152 1 5 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.942 -0.171 25854 2153 1 5 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.553 -0.053 25854 2154 1 5 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.492 0.358 25854 2155 1 5 . 1 1 150 150 GLU H H 150 8.542 8.542 8.047 0.495 25854 2156 1 5 . 1 1 151 151 GLN HA H 151 5.021 5.021 4.998 0.023 25854 2157 1 5 . 1 1 151 151 GLN CA C 151 54.843 54.843 53.880 0.963 25854 2158 1 5 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.259 -2.190 25854 2159 1 5 . 1 1 151 151 GLN H H 151 8.441 8.441 7.624 0.817 25854 2160 1 5 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.888 -0.306 25854 2161 1 5 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.062 0.501 25854 2162 1 5 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.242 -1.125 25854 2163 1 5 . 1 1 152 152 VAL H H 152 8.999 8.999 8.952 0.047 25854 2164 1 5 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.996 -0.368 25854 2165 1 5 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.864 1.356 25854 2166 1 5 . 1 1 153 153 ILE CB C 153 40.494 40.494 39.906 0.588 25854 2167 1 5 . 1 1 153 153 ILE H H 153 8.972 8.972 8.228 0.744 25854 2168 1 5 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.897 -0.663 25854 2169 1 5 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.167 1.585 25854 2170 1 5 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.433 -0.848 25854 2171 1 5 . 1 1 154 154 VAL H H 154 8.557 8.557 9.003 -0.446 25854 2172 1 5 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.770 0.384 25854 2173 1 5 . 1 1 155 155 LYS CA C 155 54.843 54.843 55.027 -0.184 25854 2174 1 5 . 1 1 155 155 LYS CB C 155 34.648 34.648 34.016 0.632 25854 2175 1 5 . 1 1 155 155 LYS H H 155 8.951 8.951 8.748 0.203 25854 2176 1 5 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.232 -0.197 25854 2177 1 5 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.207 -0.050 25854 2178 1 5 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.539 2.018 25854 2179 1 5 . 1 1 156 156 ILE H H 156 9.538 9.538 9.028 0.510 25854 2180 1 5 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.533 0.568 25854 2181 1 5 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.769 0.920 25854 2182 1 5 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.141 0.353 25854 2183 1 5 . 1 1 157 157 ILE H H 157 9.468 9.468 8.815 0.653 25854 2184 1 5 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.225 0.584 25854 2185 1 5 . 1 1 158 158 GLY H H 158 8.236 8.236 8.196 0.040 25854 2186 1 5 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.093 0.452 25854 2187 1 5 . 1 1 159 159 HIS CA C 159 55.375 55.375 55.477 -0.102 25854 2188 1 5 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.665 -0.205 25854 2189 1 5 . 1 1 159 159 HIS H H 159 7.986 7.986 8.621 -0.635 25854 2190 1 5 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.839 -0.653 25854 2191 1 5 . 1 1 160 160 PHE CA C 160 62.283 62.283 59.276 3.007 25854 2192 1 5 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.666 0.702 25854 2193 1 5 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.204 -0.764 25854 2194 1 5 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.989 0.294 25854 2195 1 5 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.459 0.378 25854 2196 1 5 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.198 -0.146 25854 2197 1 5 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.207 0.636 25854 2198 1 5 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.634 0.072 25854 2199 1 5 . 1 1 162 162 ALA H H 162 7.458 7.458 8.213 -0.755 25854 2200 1 5 . 1 1 163 163 SER HA H 163 3.832 3.832 4.082 -0.250 25854 2201 1 5 . 1 1 163 163 SER CA C 163 60.050 60.050 61.577 -1.527 25854 2202 1 5 . 1 1 163 163 SER CB C 163 63.346 63.346 63.282 0.064 25854 2203 1 5 . 1 1 163 163 SER H H 163 8.403 8.403 8.694 -0.291 25854 2204 1 5 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.146 -0.536 25854 2205 1 5 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.409 0.154 25854 2206 1 5 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.058 -21.464 25854 2207 1 5 . 1 1 165 165 MET HA H 165 4.048 4.048 4.125 -0.077 25854 2208 1 5 . 1 1 165 165 MET CA C 165 58.563 58.563 58.444 0.119 25854 2209 1 5 . 1 1 165 165 MET CB C 165 31.991 31.991 32.606 -0.615 25854 2210 1 5 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.960 -0.042 25854 2211 1 5 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.359 -0.283 25854 2212 1 5 . 1 1 166 166 ALA H H 166 8.208 8.208 8.207 0.001 25854 2213 1 5 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.918 -0.290 25854 2214 1 5 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.691 0.466 25854 2215 1 5 . 1 1 167 167 GLN H H 167 8.393 8.393 8.571 -0.178 25854 2216 1 5 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.124 -0.234 25854 2217 1 5 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.817 -5.781 25854 2218 1 5 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.969 -0.104 25854 2219 1 5 . 1 1 168 168 ARG H H 168 8.220 8.220 7.999 0.221 25854 2220 1 5 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.155 -0.022 25854 2221 1 5 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.552 0.011 25854 2222 1 5 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.057 -0.066 25854 2223 1 5 . 1 1 169 169 LYS H H 169 8.042 8.042 7.461 0.581 25854 2224 1 5 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.767 -0.237 25854 2225 1 5 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.432 1.040 25854 2226 1 5 . 1 1 170 170 ILE CB C 170 36.774 36.774 38.032 -1.258 25854 2227 1 5 . 1 1 170 170 ILE H H 170 8.190 8.190 8.574 -0.384 25854 2228 1 5 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.031 -0.164 25854 2229 1 5 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.091 1.960 25854 2230 1 5 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.280 0.054 25854 2231 1 5 . 1 1 171 171 ARG H H 171 7.984 7.984 8.167 -0.183 25854 2232 1 5 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.441 -0.012 25854 2233 1 5 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.306 0.195 25854 2234 1 5 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.979 -0.485 25854 2235 1 5 . 1 1 172 172 ASP H H 172 7.993 7.993 7.624 0.369 25854 2236 1 5 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.902 -0.252 25854 2237 1 5 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.153 1.319 25854 2238 1 5 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.692 0.676 25854 2239 1 5 . 1 1 174 174 LEU HA H 174 3.895 3.895 4.069 -0.174 25854 2240 1 5 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.457 0.043 25854 2241 1 5 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.389 0.637 25854 2242 1 5 . 1 1 174 174 LEU H H 174 8.270 8.270 7.782 0.488 25854 2243 1 5 . 1 1 175 175 ALA HA H 175 4.144 4.144 4.032 0.112 25854 2244 1 5 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.353 -1.297 25854 2245 1 5 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.222 0.483 25854 2246 1 5 . 1 1 175 175 ALA H H 175 7.960 7.960 7.645 0.315 25854 2247 1 5 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.124 -0.031 25854 2248 1 5 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.740 -0.686 25854 2249 1 5 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.752 0.318 25854 2250 1 5 . 1 1 176 176 GLN H H 176 7.696 7.696 7.430 0.266 25854 2251 1 5 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.722 0.103 25854 2252 1 5 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.840 -1.789 25854 2253 1 5 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.633 1.435 25854 2254 1 5 . 1 1 177 177 VAL H H 177 7.850 7.850 8.381 -0.531 25854 2255 1 5 . 1 1 179 179 GLN H H 179 7.862 7.862 7.705 0.157 25854 2256 1 6 . 1 1 22 22 GLN H H 22 8.152 8.152 7.979 0.173 25854 2257 1 6 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.347 0.229 25854 2258 1 6 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.573 -1.468 25854 2259 1 6 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.735 1.696 25854 2260 1 6 . 1 1 23 23 GLU H H 23 7.926 7.926 8.361 -0.434 25854 2261 1 6 . 1 1 24 24 THR HA H 24 5.298 5.298 5.666 -0.368 25854 2262 1 6 . 1 1 24 24 THR CA C 24 62.286 62.286 61.306 0.980 25854 2263 1 6 . 1 1 24 24 THR CB C 24 70.759 70.759 70.023 0.736 25854 2264 1 6 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.816 -0.381 25854 2265 1 6 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.615 1.006 25854 2266 1 6 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.145 -0.122 25854 2267 1 6 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.415 0.124 25854 2268 1 6 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.800 -1.658 25854 2269 1 6 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.338 0.379 25854 2270 1 6 . 1 1 27 27 VAL CA C 27 60.635 60.635 60.994 -0.359 25854 2271 1 6 . 1 1 27 27 VAL CB C 27 35.238 35.238 32.497 2.741 25854 2272 1 6 . 1 1 27 27 VAL H H 27 9.339 9.339 9.030 0.309 25854 2273 1 6 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.481 0.430 25854 2274 1 6 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.798 -0.073 25854 2275 1 6 . 1 1 28 28 PHE CB C 28 38.909 38.909 38.799 0.110 25854 2276 1 6 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.790 0.096 25854 2277 1 6 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.086 0.028 25854 2278 1 6 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.809 -0.894 25854 2279 1 6 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.290 0.218 25854 2280 1 6 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.049 -0.140 25854 2281 1 6 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.774 0.067 25854 2282 1 6 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.955 -0.362 25854 2283 1 6 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.684 0.812 25854 2284 1 6 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.831 -0.760 25854 2285 1 6 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.047 0.136 25854 2286 1 6 . 1 1 32 32 GLN CA C 32 57.341 57.341 58.226 -0.885 25854 2287 1 6 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.360 -0.492 25854 2288 1 6 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.675 -0.717 25854 2289 1 6 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.118 -0.702 25854 2290 1 6 . 1 1 33 33 ALA CB C 33 19.084 19.084 21.360 -2.276 25854 2291 1 6 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.622 -0.736 25854 2292 1 6 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.413 1.929 25854 2293 1 6 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.460 0.062 25854 2294 1 6 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.189 -0.290 25854 2295 1 6 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.238 -1.245 25854 2296 1 6 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.030 -0.792 25854 2297 1 6 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.345 -0.098 25854 2298 1 6 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.785 -0.334 25854 2299 1 6 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.372 -1.855 25854 2300 1 6 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.910 -1.600 25854 2301 1 6 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.804 0.085 25854 2302 1 6 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.657 0.924 25854 2303 1 6 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.362 0.478 25854 2304 1 6 . 1 1 39 39 GLY CA C 39 47.152 47.152 43.916 3.236 25854 2305 1 6 . 1 1 40 40 LYS HA H 40 4.580 4.580 4.111 0.469 25854 2306 1 6 . 1 1 40 40 LYS CA C 40 58.370 58.370 56.653 1.717 25854 2307 1 6 . 1 1 41 41 LYS CB C 41 32.800 32.800 31.392 1.408 25854 2308 1 6 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.360 -0.018 25854 2309 1 6 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.904 -2.671 25854 2310 1 6 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.855 0.033 25854 2311 1 6 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.862 -0.224 25854 2312 1 6 . 1 1 45 45 ILE CB C 45 37.250 37.250 38.048 -0.798 25854 2313 1 6 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.126 0.010 25854 2314 1 6 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.571 1.032 25854 2315 1 6 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.053 0.417 25854 2316 1 6 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.129 -0.095 25854 2317 1 6 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.522 -0.480 25854 2318 1 6 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.029 0.056 25854 2319 1 6 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.993 0.377 25854 2320 1 6 . 1 1 49 49 SER HA H 49 4.183 4.183 4.195 -0.012 25854 2321 1 6 . 1 1 49 49 SER CA C 49 61.932 61.932 61.144 0.788 25854 2322 1 6 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.109 0.050 25854 2323 1 6 . 1 1 50 50 ARG CA C 50 58.431 58.431 59.245 -0.814 25854 2324 1 6 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.392 -0.239 25854 2325 1 6 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.377 -0.055 25854 2326 1 6 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.105 -0.286 25854 2327 1 6 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.472 1.052 25854 2328 1 6 . 1 1 52 52 ALA HA H 52 3.763 3.763 3.764 -0.001 25854 2329 1 6 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.554 -0.176 25854 2330 1 6 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.755 0.623 25854 2331 1 6 . 1 1 52 52 ALA H H 52 8.465 8.465 7.731 0.734 25854 2332 1 6 . 1 1 53 53 SER CB C 53 61.826 61.826 60.577 1.249 25854 2333 1 6 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.542 0.390 25854 2334 1 6 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.832 -1.699 25854 2335 1 6 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.169 1.228 25854 2336 1 6 . 1 1 55 55 SER HA H 55 4.766 4.766 4.825 -0.059 25854 2337 1 6 . 1 1 55 55 SER CB C 55 63.541 63.541 63.533 0.008 25854 2338 1 6 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.660 0.332 25854 2339 1 6 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.276 -0.084 25854 2340 1 6 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.834 0.677 25854 2341 1 6 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.655 0.099 25854 2342 1 6 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.824 -0.169 25854 2343 1 6 . 1 1 57 57 LYS CB C 57 36.326 36.326 37.039 -0.713 25854 2344 1 6 . 1 1 57 57 LYS H H 57 8.732 8.732 8.890 -0.158 25854 2345 1 6 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.065 0.646 25854 2346 1 6 . 1 1 58 58 ILE CA C 58 60.597 60.597 61.108 -0.511 25854 2347 1 6 . 1 1 58 58 ILE CB C 58 37.464 37.464 38.424 -0.960 25854 2348 1 6 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.502 0.006 25854 2349 1 6 . 1 1 59 59 ALA CA C 59 51.688 51.688 50.406 1.282 25854 2350 1 6 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.190 0.169 25854 2351 1 6 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.226 -0.187 25854 2352 1 6 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.393 0.565 25854 2353 1 6 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.685 0.745 25854 2354 1 6 . 1 1 63 63 THR HA H 63 4.786 4.786 4.652 0.134 25854 2355 1 6 . 1 1 63 63 THR CA C 63 58.498 58.498 59.035 -0.536 25854 2356 1 6 . 1 1 63 63 THR CB C 63 69.943 69.943 69.877 0.066 25854 2357 1 6 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.322 -0.033 25854 2358 1 6 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.794 0.939 25854 2359 1 6 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.869 -0.196 25854 2360 1 6 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.677 -0.037 25854 2361 1 6 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.850 -0.991 25854 2362 1 6 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.606 -0.146 25854 2363 1 6 . 1 1 65 65 ASP H H 65 7.985 7.985 8.130 -0.145 25854 2364 1 6 . 1 1 66 66 SER CB C 66 63.942 63.942 63.682 0.260 25854 2365 1 6 . 1 1 66 66 SER H H 66 7.515 7.515 7.650 -0.135 25854 2366 1 6 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.421 -0.078 25854 2367 1 6 . 1 1 67 67 LYS CA C 67 57.242 57.242 55.582 1.660 25854 2368 1 6 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.161 0.642 25854 2369 1 6 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.217 0.976 25854 2370 1 6 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.166 -1.194 25854 2371 1 6 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.292 1.924 25854 2372 1 6 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.604 0.088 25854 2373 1 6 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.654 -2.381 25854 2374 1 6 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.863 -1.102 25854 2375 1 6 . 1 1 70 70 MET HA H 70 3.798 3.798 5.085 -1.287 25854 2376 1 6 . 1 1 70 70 MET CA C 70 55.444 55.444 53.959 1.485 25854 2377 1 6 . 1 1 70 70 MET CB C 70 36.034 36.034 33.634 2.400 25854 2378 1 6 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.059 0.253 25854 2379 1 6 . 1 1 71 71 VAL CA C 71 60.897 60.897 62.136 -1.239 25854 2380 1 6 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.462 0.200 25854 2381 1 6 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.502 0.264 25854 2382 1 6 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.345 -0.881 25854 2383 1 6 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.323 -0.390 25854 2384 1 6 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.831 1.959 25854 2385 1 6 . 1 1 73 73 ILE CB C 73 40.101 40.101 40.589 -0.488 25854 2386 1 6 . 1 1 73 73 ILE H H 73 8.981 8.981 8.556 0.425 25854 2387 1 6 . 1 1 74 74 THR HA H 74 5.630 5.630 5.648 -0.018 25854 2388 1 6 . 1 1 74 74 THR CA C 74 60.813 60.813 61.021 -0.208 25854 2389 1 6 . 1 1 74 74 THR CB C 74 70.966 70.966 69.840 1.126 25854 2390 1 6 . 1 1 74 74 THR H H 74 9.227 9.227 9.065 0.162 25854 2391 1 6 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.062 0.970 25854 2392 1 6 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.785 0.384 25854 2393 1 6 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.635 0.813 25854 2394 1 6 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.978 -0.411 25854 2395 1 6 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.083 -0.123 25854 2396 1 6 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.181 0.905 25854 2397 1 6 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.188 -0.053 25854 2398 1 6 . 1 1 78 78 GLU CA C 78 59.899 59.899 58.874 1.025 25854 2399 1 6 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.241 -0.211 25854 2400 1 6 . 1 1 78 78 GLU H H 78 9.555 9.555 8.816 0.739 25854 2401 1 6 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.003 0.366 25854 2402 1 6 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.927 -0.654 25854 2403 1 6 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.209 1.920 25854 2404 1 6 . 1 1 79 79 ALA H H 79 7.018 7.018 7.682 -0.664 25854 2405 1 6 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.006 -0.224 25854 2406 1 6 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.616 -0.475 25854 2407 1 6 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.207 -0.103 25854 2408 1 6 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.410 -0.001 25854 2409 1 6 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.847 0.683 25854 2410 1 6 . 1 1 81 81 PHE H H 81 8.005 8.005 7.764 0.241 25854 2411 1 6 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.857 0.140 25854 2412 1 6 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.366 0.645 25854 2413 1 6 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.193 -0.256 25854 2414 1 6 . 1 1 83 83 ALA CA C 83 55.239 55.239 54.736 0.503 25854 2415 1 6 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.089 0.938 25854 2416 1 6 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.628 0.798 25854 2417 1 6 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.197 -0.042 25854 2418 1 6 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.377 -0.324 25854 2419 1 6 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.664 0.509 25854 2420 1 6 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.821 -0.337 25854 2421 1 6 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.888 1.814 25854 2422 1 6 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.480 -0.098 25854 2423 1 6 . 1 1 87 87 ILE H H 87 7.681 7.681 7.733 -0.052 25854 2424 1 6 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.248 -0.450 25854 2425 1 6 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.335 1.652 25854 2426 1 6 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.639 0.465 25854 2427 1 6 . 1 1 88 88 TYR H H 88 8.021 8.021 8.447 -0.426 25854 2428 1 6 . 1 1 89 89 GLY H H 89 8.005 8.005 7.834 0.171 25854 2429 1 6 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.092 0.085 25854 2430 1 6 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.789 -1.371 25854 2431 1 6 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.620 -0.230 25854 2432 1 6 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.596 -0.458 25854 2433 1 6 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.232 -0.427 25854 2434 1 6 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.050 -0.317 25854 2435 1 6 . 1 1 91 91 LEU H H 91 7.545 7.545 7.491 0.054 25854 2436 1 6 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.381 -0.065 25854 2437 1 6 . 1 1 92 92 LYS CA C 92 58.765 58.765 57.727 1.038 25854 2438 1 6 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.824 0.310 25854 2439 1 6 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.093 -0.008 25854 2440 1 6 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.706 0.232 25854 2441 1 6 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.206 0.053 25854 2442 1 6 . 1 1 94 94 GLU CA C 94 55.394 55.394 54.824 0.570 25854 2443 1 6 . 1 1 94 94 GLU CB C 94 29.535 29.535 28.513 1.022 25854 2444 1 6 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.400 0.108 25854 2445 1 6 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.832 1.667 25854 2446 1 6 . 1 1 95 95 ASN CB C 95 37.054 37.054 37.080 -0.026 25854 2447 1 6 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.242 -0.085 25854 2448 1 6 . 1 1 96 96 PHE CA C 96 61.630 61.630 59.959 1.671 25854 2449 1 6 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.141 -0.668 25854 2450 1 6 . 1 1 97 97 PHE HA H 97 4.551 4.551 5.264 -0.713 25854 2451 1 6 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.703 0.389 25854 2452 1 6 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.261 1.811 25854 2453 1 6 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.636 -0.891 25854 2454 1 6 . 1 1 98 98 GLY H H 98 8.539 8.539 7.658 0.881 25854 2455 1 6 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.678 -0.300 25854 2456 1 6 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.787 0.153 25854 2457 1 6 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.090 -0.099 25854 2458 1 6 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.290 0.069 25854 2459 1 6 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.360 -0.454 25854 2460 1 6 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.143 -0.152 25854 2461 1 6 . 1 1 100 100 LYS H H 100 8.622 8.622 8.075 0.547 25854 2462 1 6 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.346 0.042 25854 2463 1 6 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.120 -0.214 25854 2464 1 6 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.432 2.091 25854 2465 1 6 . 1 1 101 101 GLU H H 101 7.569 7.569 8.123 -0.554 25854 2466 1 6 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.195 0.101 25854 2467 1 6 . 1 1 102 102 GLU CA C 102 55.375 55.375 57.134 -1.759 25854 2468 1 6 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.090 0.307 25854 2469 1 6 . 1 1 102 102 GLU H H 102 8.440 8.440 8.795 -0.355 25854 2470 1 6 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.670 -0.902 25854 2471 1 6 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.480 -0.134 25854 2472 1 6 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.468 -0.477 25854 2473 1 6 . 1 1 103 103 VAL H H 103 8.552 8.552 8.484 0.068 25854 2474 1 6 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.545 0.069 25854 2475 1 6 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.697 0.678 25854 2476 1 6 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.580 2.600 25854 2477 1 6 . 1 1 104 104 LYS H H 104 6.924 6.924 7.790 -0.866 25854 2478 1 6 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.509 0.402 25854 2479 1 6 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.318 -0.601 25854 2480 1 6 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.175 1.102 25854 2481 1 6 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.520 0.388 25854 2482 1 6 . 1 1 106 106 GLU CA C 106 57.055 57.055 55.953 1.102 25854 2483 1 6 . 1 1 106 106 GLU CB C 106 32.070 32.070 29.671 2.399 25854 2484 1 6 . 1 1 106 106 GLU H H 106 8.982 8.982 8.917 0.065 25854 2485 1 6 . 1 1 107 107 THR HA H 107 5.524 5.524 4.732 0.792 25854 2486 1 6 . 1 1 107 107 THR CA C 107 61.220 61.220 62.508 -1.288 25854 2487 1 6 . 1 1 107 107 THR CB C 107 71.849 71.849 69.741 2.108 25854 2488 1 6 . 1 1 107 107 THR H H 107 9.357 9.357 8.953 0.404 25854 2489 1 6 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.372 0.689 25854 2490 1 6 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.893 -1.644 25854 2491 1 6 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.306 3.874 25854 2492 1 6 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.744 -0.104 25854 2493 1 6 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.036 0.059 25854 2494 1 6 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.766 0.260 25854 2495 1 6 . 1 1 109 109 ILE H H 109 8.818 8.818 8.885 -0.067 25854 2496 1 6 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.657 0.577 25854 2497 1 6 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.680 -0.837 25854 2498 1 6 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.999 1.992 25854 2499 1 6 . 1 1 110 110 ARG H H 110 8.568 8.568 8.770 -0.202 25854 2500 1 6 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.741 0.133 25854 2501 1 6 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.761 -0.792 25854 2502 1 6 . 1 1 111 111 VAL CB C 111 33.585 33.585 35.795 -2.210 25854 2503 1 6 . 1 1 111 111 VAL H H 111 8.935 8.935 8.877 0.058 25854 2504 1 6 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.459 0.040 25854 2505 1 6 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.492 -0.146 25854 2506 1 6 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.846 0.145 25854 2507 1 6 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.024 -0.114 25854 2508 1 6 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.051 0.855 25854 2509 1 6 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.874 -0.700 25854 2510 1 6 . 1 1 113 113 ALA H H 113 9.220 9.220 8.630 0.590 25854 2511 1 6 . 1 1 114 114 SER HA H 114 4.210 4.210 4.266 -0.056 25854 2512 1 6 . 1 1 114 114 SER CA C 114 60.157 60.157 59.842 0.315 25854 2513 1 6 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.247 0.238 25854 2514 1 6 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.038 -1.852 25854 2515 1 6 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.301 1.998 25854 2516 1 6 . 1 1 115 115 ALA H H 115 7.752 7.752 7.595 0.157 25854 2517 1 6 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.088 -0.501 25854 2518 1 6 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.018 0.357 25854 2519 1 6 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.279 -0.105 25854 2520 1 6 . 1 1 116 116 ALA H H 116 7.429 7.429 7.826 -0.397 25854 2521 1 6 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.635 0.705 25854 2522 1 6 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.255 -0.078 25854 2523 1 6 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.724 -0.327 25854 2524 1 6 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.740 -0.088 25854 2525 1 6 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.399 -0.459 25854 2526 1 6 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.165 -0.174 25854 2527 1 6 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.070 -0.243 25854 2528 1 6 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.785 1.646 25854 2529 1 6 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.634 -1.572 25854 2530 1 6 . 1 1 121 121 GLY H H 121 7.924 7.924 7.447 0.477 25854 2531 1 6 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.562 -0.415 25854 2532 1 6 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.733 0.186 25854 2533 1 6 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.378 0.110 25854 2534 1 6 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.536 -1.161 25854 2535 1 6 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.613 -0.245 25854 2536 1 6 . 1 1 128 128 ASN H H 128 8.050 8.050 7.741 0.309 25854 2537 1 6 . 1 1 129 129 GLU H H 129 8.138 8.138 7.517 0.621 25854 2538 1 6 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.929 0.131 25854 2539 1 6 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.779 0.309 25854 2540 1 6 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.066 0.228 25854 2541 1 6 . 1 1 131 131 GLN CA C 131 59.095 59.095 59.132 -0.037 25854 2542 1 6 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.570 0.711 25854 2543 1 6 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.225 0.046 25854 2544 1 6 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.037 1.114 25854 2545 1 6 . 1 1 134 134 THR HA H 134 4.324 4.324 4.115 0.209 25854 2546 1 6 . 1 1 134 134 THR CA C 134 61.752 61.752 63.412 -1.660 25854 2547 1 6 . 1 1 134 134 THR CB C 134 70.047 70.047 69.935 0.112 25854 2548 1 6 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.833 0.274 25854 2549 1 6 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.176 0.604 25854 2550 1 6 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.967 1.207 25854 2551 1 6 . 1 1 135 135 ALA H H 135 8.013 8.013 7.631 0.382 25854 2552 1 6 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.555 -0.016 25854 2553 1 6 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.557 0.566 25854 2554 1 6 . 1 1 136 136 ALA CB C 136 19.768 19.768 22.056 -2.288 25854 2555 1 6 . 1 1 136 136 ALA H H 136 8.011 8.011 7.368 0.643 25854 2556 1 6 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.558 -0.127 25854 2557 1 6 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.167 6.076 25854 2558 1 6 . 1 1 137 137 GLU H H 137 8.439 8.439 8.305 0.134 25854 2559 1 6 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.400 0.482 25854 2560 1 6 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.853 -0.633 25854 2561 1 6 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.936 1.649 25854 2562 1 6 . 1 1 138 138 VAL H H 138 8.280 8.280 8.503 -0.223 25854 2563 1 6 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.487 -0.267 25854 2564 1 6 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.099 0.590 25854 2565 1 6 . 1 1 139 139 VAL CB C 139 36.243 36.243 33.792 2.451 25854 2566 1 6 . 1 1 139 139 VAL H H 139 9.055 9.055 8.836 0.219 25854 2567 1 6 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.630 -0.008 25854 2568 1 6 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.306 0.258 25854 2569 1 6 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.233 -0.242 25854 2570 1 6 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.540 -0.311 25854 2571 1 6 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.940 0.406 25854 2572 1 6 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.104 -0.644 25854 2573 1 6 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.276 -0.042 25854 2574 1 6 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.433 -0.996 25854 2575 1 6 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.820 1.108 25854 2576 1 6 . 1 1 142 142 ARG H H 142 8.499 8.499 8.617 -0.118 25854 2577 1 6 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.473 -0.063 25854 2578 1 6 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.844 -0.532 25854 2579 1 6 . 1 1 143 143 ASP CB C 143 39.431 39.431 41.051 -1.620 25854 2580 1 6 . 1 1 143 143 ASP H H 143 8.691 8.691 7.843 0.848 25854 2581 1 6 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.250 0.115 25854 2582 1 6 . 1 1 144 144 GLN CA C 144 55.056 55.056 55.961 -0.905 25854 2583 1 6 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.121 1.948 25854 2584 1 6 . 1 1 144 144 GLN H H 144 7.898 7.898 8.229 -0.331 25854 2585 1 6 . 1 1 145 145 THR HA H 145 4.619 4.619 4.682 -0.063 25854 2586 1 6 . 1 1 145 145 THR CA C 145 59.626 59.626 59.988 -0.362 25854 2587 1 6 . 1 1 145 145 THR CB C 145 70.255 70.255 69.076 1.179 25854 2588 1 6 . 1 1 145 145 THR H H 145 8.695 8.695 8.162 0.533 25854 2589 1 6 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.447 -0.106 25854 2590 1 6 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.700 0.115 25854 2591 1 6 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.378 0.171 25854 2592 1 6 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.560 -2.843 25854 2593 1 6 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.486 0.540 25854 2594 1 6 . 1 1 147 147 ASP H H 147 8.506 8.506 8.617 -0.111 25854 2595 1 6 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.095 0.075 25854 2596 1 6 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.661 -0.098 25854 2597 1 6 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.370 -1.099 25854 2598 1 6 . 1 1 148 148 GLU H H 148 9.159 9.159 8.648 0.511 25854 2599 1 6 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.797 0.139 25854 2600 1 6 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.659 0.058 25854 2601 1 6 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.301 0.130 25854 2602 1 6 . 1 1 149 149 ASN H H 149 8.364 8.364 7.541 0.823 25854 2603 1 6 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.862 -0.091 25854 2604 1 6 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.766 -0.266 25854 2605 1 6 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.383 0.467 25854 2606 1 6 . 1 1 150 150 GLU H H 150 8.542 8.542 7.949 0.593 25854 2607 1 6 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.048 -0.027 25854 2608 1 6 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.605 0.238 25854 2609 1 6 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.876 -2.807 25854 2610 1 6 . 1 1 151 151 GLN H H 151 8.441 8.441 7.768 0.673 25854 2611 1 6 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.956 -0.374 25854 2612 1 6 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.002 0.561 25854 2613 1 6 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.476 -1.359 25854 2614 1 6 . 1 1 152 152 VAL H H 152 8.999 8.999 9.228 -0.229 25854 2615 1 6 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.827 -0.199 25854 2616 1 6 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.778 1.442 25854 2617 1 6 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.163 0.331 25854 2618 1 6 . 1 1 153 153 ILE H H 153 8.972 8.972 8.122 0.850 25854 2619 1 6 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.329 -0.095 25854 2620 1 6 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.343 1.409 25854 2621 1 6 . 1 1 154 154 VAL CB C 154 33.585 33.585 32.829 0.756 25854 2622 1 6 . 1 1 154 154 VAL H H 154 8.557 8.557 8.938 -0.381 25854 2623 1 6 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.833 0.321 25854 2624 1 6 . 1 1 155 155 LYS CA C 155 54.843 54.843 55.118 -0.276 25854 2625 1 6 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.850 0.798 25854 2626 1 6 . 1 1 155 155 LYS H H 155 8.951 8.951 8.428 0.523 25854 2627 1 6 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.231 -0.196 25854 2628 1 6 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.041 0.116 25854 2629 1 6 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.391 2.166 25854 2630 1 6 . 1 1 156 156 ILE H H 156 9.538 9.538 8.990 0.548 25854 2631 1 6 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.849 0.252 25854 2632 1 6 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.681 1.008 25854 2633 1 6 . 1 1 157 157 ILE CB C 157 40.494 40.494 38.704 1.790 25854 2634 1 6 . 1 1 157 157 ILE H H 157 9.468 9.468 8.568 0.900 25854 2635 1 6 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.425 0.384 25854 2636 1 6 . 1 1 158 158 GLY H H 158 8.236 8.236 7.803 0.433 25854 2637 1 6 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.042 0.503 25854 2638 1 6 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.463 0.912 25854 2639 1 6 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.008 0.452 25854 2640 1 6 . 1 1 159 159 HIS H H 159 7.986 7.986 7.977 0.009 25854 2641 1 6 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.811 -0.625 25854 2642 1 6 . 1 1 160 160 PHE CA C 160 62.283 62.283 59.386 2.897 25854 2643 1 6 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.477 0.891 25854 2644 1 6 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.158 -0.718 25854 2645 1 6 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.988 0.295 25854 2646 1 6 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.130 0.707 25854 2647 1 6 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.207 -0.155 25854 2648 1 6 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.243 0.600 25854 2649 1 6 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.547 0.158 25854 2650 1 6 . 1 1 162 162 ALA H H 162 7.458 7.458 8.474 -1.016 25854 2651 1 6 . 1 1 163 163 SER HA H 163 3.832 3.832 4.043 -0.211 25854 2652 1 6 . 1 1 163 163 SER CA C 163 60.050 60.050 61.536 -1.486 25854 2653 1 6 . 1 1 163 163 SER CB C 163 63.346 63.346 63.311 0.035 25854 2654 1 6 . 1 1 163 163 SER H H 163 8.403 8.403 8.792 -0.389 25854 2655 1 6 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.176 -0.567 25854 2656 1 6 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.335 0.228 25854 2657 1 6 . 1 1 164 164 GLN CB C 164 6.594 6.594 27.851 -21.257 25854 2658 1 6 . 1 1 165 165 MET HA H 165 4.048 4.048 4.064 -0.016 25854 2659 1 6 . 1 1 165 165 MET CA C 165 58.563 58.563 58.896 -0.333 25854 2660 1 6 . 1 1 165 165 MET CB C 165 31.991 31.991 32.409 -0.418 25854 2661 1 6 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.966 -0.048 25854 2662 1 6 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.229 -0.153 25854 2663 1 6 . 1 1 166 166 ALA H H 166 8.208 8.208 8.149 0.059 25854 2664 1 6 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.907 -0.279 25854 2665 1 6 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.764 0.393 25854 2666 1 6 . 1 1 167 167 GLN H H 167 8.393 8.393 8.578 -0.185 25854 2667 1 6 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.061 -0.171 25854 2668 1 6 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.779 -5.743 25854 2669 1 6 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.857 0.008 25854 2670 1 6 . 1 1 168 168 ARG H H 168 8.220 8.220 8.230 -0.010 25854 2671 1 6 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.137 -0.004 25854 2672 1 6 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.384 0.179 25854 2673 1 6 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.921 0.070 25854 2674 1 6 . 1 1 169 169 LYS H H 169 8.042 8.042 7.371 0.671 25854 2675 1 6 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.744 -0.214 25854 2676 1 6 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.567 0.905 25854 2677 1 6 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.847 -1.073 25854 2678 1 6 . 1 1 170 170 ILE H H 170 8.190 8.190 8.497 -0.307 25854 2679 1 6 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.000 -0.133 25854 2680 1 6 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.444 1.607 25854 2681 1 6 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.347 -0.013 25854 2682 1 6 . 1 1 171 171 ARG H H 171 7.984 7.984 8.414 -0.430 25854 2683 1 6 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.488 -0.059 25854 2684 1 6 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.213 0.287 25854 2685 1 6 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.910 -0.416 25854 2686 1 6 . 1 1 172 172 ASP H H 172 7.993 7.993 7.703 0.290 25854 2687 1 6 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.922 -0.272 25854 2688 1 6 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.220 1.252 25854 2689 1 6 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.722 0.646 25854 2690 1 6 . 1 1 174 174 LEU HA H 174 3.895 3.895 4.038 -0.143 25854 2691 1 6 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.657 -0.157 25854 2692 1 6 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.672 0.353 25854 2693 1 6 . 1 1 174 174 LEU H H 174 8.270 8.270 7.801 0.469 25854 2694 1 6 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.989 0.155 25854 2695 1 6 . 1 1 175 175 ALA CA C 175 54.056 54.056 54.798 -0.742 25854 2696 1 6 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.192 0.513 25854 2697 1 6 . 1 1 175 175 ALA H H 175 7.960 7.960 7.569 0.391 25854 2698 1 6 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.049 0.044 25854 2699 1 6 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.811 -0.757 25854 2700 1 6 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.845 0.225 25854 2701 1 6 . 1 1 176 176 GLN H H 176 7.696 7.696 7.552 0.144 25854 2702 1 6 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.585 0.240 25854 2703 1 6 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.229 -2.178 25854 2704 1 6 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.420 0.648 25854 2705 1 6 . 1 1 177 177 VAL H H 177 7.850 7.850 8.398 -0.548 25854 2706 1 6 . 1 1 179 179 GLN H H 179 7.862 7.862 7.875 -0.013 25854 2707 1 7 . 1 1 22 22 GLN H H 22 8.152 8.152 8.328 -0.176 25854 2708 1 7 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.828 -0.252 25854 2709 1 7 . 1 1 23 23 GLU CA C 23 55.105 55.105 54.717 0.388 25854 2710 1 7 . 1 1 23 23 GLU CB C 23 32.431 32.431 33.040 -0.609 25854 2711 1 7 . 1 1 23 23 GLU H H 23 7.926 7.926 8.848 -0.922 25854 2712 1 7 . 1 1 24 24 THR HA H 24 5.298 5.298 5.466 -0.168 25854 2713 1 7 . 1 1 24 24 THR CA C 24 62.286 62.286 61.053 1.233 25854 2714 1 7 . 1 1 24 24 THR CB C 24 70.759 70.759 69.959 0.800 25854 2715 1 7 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.749 -0.314 25854 2716 1 7 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.613 1.008 25854 2717 1 7 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.638 0.385 25854 2718 1 7 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.619 -0.080 25854 2719 1 7 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.833 -1.691 25854 2720 1 7 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.206 0.511 25854 2721 1 7 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.402 -0.767 25854 2722 1 7 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.611 1.627 25854 2723 1 7 . 1 1 27 27 VAL H H 27 9.339 9.339 8.959 0.380 25854 2724 1 7 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.603 0.308 25854 2725 1 7 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.092 0.633 25854 2726 1 7 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.289 -0.380 25854 2727 1 7 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.698 0.188 25854 2728 1 7 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.710 0.404 25854 2729 1 7 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.173 -1.258 25854 2730 1 7 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.428 0.080 25854 2731 1 7 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.325 0.584 25854 2732 1 7 . 1 1 30 30 PRO CB C 30 31.841 31.841 32.158 -0.317 25854 2733 1 7 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.913 -0.320 25854 2734 1 7 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.651 0.845 25854 2735 1 7 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.575 -0.504 25854 2736 1 7 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.153 0.030 25854 2737 1 7 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.201 0.140 25854 2738 1 7 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.287 -0.420 25854 2739 1 7 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.303 -0.345 25854 2740 1 7 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.384 -0.968 25854 2741 1 7 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.890 -0.806 25854 2742 1 7 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.521 -0.635 25854 2743 1 7 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.553 1.789 25854 2744 1 7 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.821 -0.299 25854 2745 1 7 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.221 -0.322 25854 2746 1 7 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.383 -1.390 25854 2747 1 7 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.834 -0.596 25854 2748 1 7 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.480 -0.233 25854 2749 1 7 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.803 -0.352 25854 2750 1 7 . 1 1 37 37 ILE CA C 37 60.517 60.517 61.659 -1.142 25854 2751 1 7 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.801 -1.491 25854 2752 1 7 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.734 0.155 25854 2753 1 7 . 1 1 38 38 ILE CA C 38 64.581 64.581 64.414 0.167 25854 2754 1 7 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.542 0.298 25854 2755 1 7 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.747 2.405 25854 2756 1 7 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.880 0.700 25854 2757 1 7 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.563 -0.194 25854 2758 1 7 . 1 1 41 41 LYS CB C 41 32.800 32.800 33.487 -0.687 25854 2759 1 7 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.363 -0.021 25854 2760 1 7 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.098 -1.865 25854 2761 1 7 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.546 0.342 25854 2762 1 7 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.376 1.262 25854 2763 1 7 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.602 -0.352 25854 2764 1 7 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.146 -0.010 25854 2765 1 7 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.487 1.116 25854 2766 1 7 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.312 0.158 25854 2767 1 7 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.145 -0.111 25854 2768 1 7 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.486 -0.444 25854 2769 1 7 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.305 -0.220 25854 2770 1 7 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.376 0.995 25854 2771 1 7 . 1 1 49 49 SER HA H 49 4.183 4.183 4.042 0.141 25854 2772 1 7 . 1 1 49 49 SER CA C 49 61.932 61.932 61.727 0.204 25854 2773 1 7 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.144 0.015 25854 2774 1 7 . 1 1 50 50 ARG CA C 50 58.431 58.431 59.505 -1.074 25854 2775 1 7 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.473 -0.320 25854 2776 1 7 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.325 -0.003 25854 2777 1 7 . 1 1 51 51 PHE CA C 51 59.819 59.819 59.908 -0.089 25854 2778 1 7 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.718 0.807 25854 2779 1 7 . 1 1 52 52 ALA HA H 52 3.763 3.763 3.748 0.015 25854 2780 1 7 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.864 0.514 25854 2781 1 7 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.693 0.685 25854 2782 1 7 . 1 1 52 52 ALA H H 52 8.465 8.465 7.345 1.120 25854 2783 1 7 . 1 1 53 53 SER CB C 53 61.826 61.826 60.756 1.070 25854 2784 1 7 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.597 0.335 25854 2785 1 7 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.889 -1.756 25854 2786 1 7 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.094 1.304 25854 2787 1 7 . 1 1 55 55 SER HA H 55 4.766 4.766 4.650 0.116 25854 2788 1 7 . 1 1 55 55 SER CB C 55 63.541 63.541 63.235 0.306 25854 2789 1 7 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.359 0.633 25854 2790 1 7 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.696 -0.505 25854 2791 1 7 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.274 1.237 25854 2792 1 7 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.710 0.044 25854 2793 1 7 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.806 -0.152 25854 2794 1 7 . 1 1 57 57 LYS CB C 57 36.326 36.326 37.207 -0.881 25854 2795 1 7 . 1 1 57 57 LYS H H 57 8.732 8.732 8.666 0.066 25854 2796 1 7 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.061 0.650 25854 2797 1 7 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.101 1.496 25854 2798 1 7 . 1 1 58 58 ILE CB C 58 37.464 37.464 36.988 0.476 25854 2799 1 7 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.376 0.132 25854 2800 1 7 . 1 1 59 59 ALA CA C 59 51.688 51.688 50.468 1.220 25854 2801 1 7 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.340 0.019 25854 2802 1 7 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.084 -0.045 25854 2803 1 7 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.526 0.432 25854 2804 1 7 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.164 0.266 25854 2805 1 7 . 1 1 63 63 THR HA H 63 4.786 4.786 4.739 0.047 25854 2806 1 7 . 1 1 63 63 THR CA C 63 58.498 58.498 58.605 -0.107 25854 2807 1 7 . 1 1 63 63 THR CB C 63 69.943 69.943 70.822 -0.879 25854 2808 1 7 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.328 -0.039 25854 2809 1 7 . 1 1 64 64 PRO CA C 64 64.733 64.733 64.290 0.443 25854 2810 1 7 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.691 -0.017 25854 2811 1 7 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.659 -0.019 25854 2812 1 7 . 1 1 65 65 ASP CA C 65 52.859 52.859 52.896 -0.037 25854 2813 1 7 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.326 0.134 25854 2814 1 7 . 1 1 65 65 ASP H H 65 7.985 7.985 8.137 -0.152 25854 2815 1 7 . 1 1 66 66 SER CB C 66 63.942 63.942 63.775 0.167 25854 2816 1 7 . 1 1 66 66 SER H H 66 7.515 7.515 7.717 -0.202 25854 2817 1 7 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.220 0.123 25854 2818 1 7 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.654 -0.412 25854 2819 1 7 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.865 -0.062 25854 2820 1 7 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.233 0.960 25854 2821 1 7 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.429 -1.457 25854 2822 1 7 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.407 1.809 25854 2823 1 7 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.575 0.117 25854 2824 1 7 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.329 -2.056 25854 2825 1 7 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.878 -1.117 25854 2826 1 7 . 1 1 70 70 MET HA H 70 3.798 3.798 5.406 -1.608 25854 2827 1 7 . 1 1 70 70 MET CA C 70 55.444 55.444 54.533 0.911 25854 2828 1 7 . 1 1 70 70 MET CB C 70 36.034 36.034 35.242 0.792 25854 2829 1 7 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.377 -0.065 25854 2830 1 7 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.222 -0.325 25854 2831 1 7 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.179 0.483 25854 2832 1 7 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.463 0.303 25854 2833 1 7 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.006 -0.542 25854 2834 1 7 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.167 -0.234 25854 2835 1 7 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.830 1.960 25854 2836 1 7 . 1 1 73 73 ILE CB C 73 40.101 40.101 40.268 -0.167 25854 2837 1 7 . 1 1 73 73 ILE H H 73 8.981 8.981 8.323 0.658 25854 2838 1 7 . 1 1 74 74 THR HA H 74 5.630 5.630 5.617 0.013 25854 2839 1 7 . 1 1 74 74 THR CA C 74 60.813 60.813 61.091 -0.278 25854 2840 1 7 . 1 1 74 74 THR CB C 74 70.966 70.966 70.286 0.680 25854 2841 1 7 . 1 1 74 74 THR H H 74 9.227 9.227 8.945 0.282 25854 2842 1 7 . 1 1 75 75 GLY CA C 75 45.032 45.032 43.914 1.118 25854 2843 1 7 . 1 1 76 76 PRO HA H 76 5.169 5.169 5.225 -0.056 25854 2844 1 7 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.233 1.215 25854 2845 1 7 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.011 -0.444 25854 2846 1 7 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.111 -0.151 25854 2847 1 7 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.975 1.111 25854 2848 1 7 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.121 0.014 25854 2849 1 7 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.343 0.556 25854 2850 1 7 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.033 -0.003 25854 2851 1 7 . 1 1 78 78 GLU H H 78 9.555 9.555 8.698 0.857 25854 2852 1 7 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.067 0.302 25854 2853 1 7 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.760 -0.487 25854 2854 1 7 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.376 1.753 25854 2855 1 7 . 1 1 79 79 ALA H H 79 7.018 7.018 7.711 -0.693 25854 2856 1 7 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.043 -0.261 25854 2857 1 7 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.705 -0.564 25854 2858 1 7 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.272 -0.168 25854 2859 1 7 . 1 1 81 81 PHE CA C 81 61.409 61.409 62.474 -1.065 25854 2860 1 7 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.073 0.457 25854 2861 1 7 . 1 1 81 81 PHE H H 81 8.005 8.005 8.031 -0.026 25854 2862 1 7 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.039 -0.042 25854 2863 1 7 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.028 0.984 25854 2864 1 7 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.041 -0.104 25854 2865 1 7 . 1 1 83 83 ALA CA C 83 55.239 55.239 54.944 0.295 25854 2866 1 7 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.289 0.738 25854 2867 1 7 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.373 1.054 25854 2868 1 7 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.238 -0.083 25854 2869 1 7 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.424 -0.371 25854 2870 1 7 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.688 0.485 25854 2871 1 7 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.853 -0.369 25854 2872 1 7 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.008 2.694 25854 2873 1 7 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.452 -0.070 25854 2874 1 7 . 1 1 87 87 ILE H H 87 7.681 7.681 7.334 0.347 25854 2875 1 7 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.241 -0.443 25854 2876 1 7 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.599 1.388 25854 2877 1 7 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.432 0.672 25854 2878 1 7 . 1 1 88 88 TYR H H 88 8.021 8.021 8.227 -0.206 25854 2879 1 7 . 1 1 89 89 GLY H H 89 8.005 8.005 8.023 -0.018 25854 2880 1 7 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.195 -0.018 25854 2881 1 7 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.614 -1.196 25854 2882 1 7 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.846 -0.456 25854 2883 1 7 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.426 -0.288 25854 2884 1 7 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.963 -0.158 25854 2885 1 7 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.219 -0.486 25854 2886 1 7 . 1 1 91 91 LEU H H 91 7.545 7.545 7.576 -0.031 25854 2887 1 7 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.530 -0.214 25854 2888 1 7 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.554 0.211 25854 2889 1 7 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.200 -0.066 25854 2890 1 7 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.115 -0.030 25854 2891 1 7 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.675 0.263 25854 2892 1 7 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.154 0.105 25854 2893 1 7 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.218 0.176 25854 2894 1 7 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.704 -0.169 25854 2895 1 7 . 1 1 95 95 ASN HA H 95 4.508 4.508 3.979 0.529 25854 2896 1 7 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.057 1.442 25854 2897 1 7 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.098 0.956 25854 2898 1 7 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.099 0.058 25854 2899 1 7 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.392 0.238 25854 2900 1 7 . 1 1 96 96 PHE CB C 96 38.473 38.473 38.779 -0.306 25854 2901 1 7 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.447 0.104 25854 2902 1 7 . 1 1 97 97 PHE CA C 97 57.092 57.092 58.244 -1.152 25854 2903 1 7 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.280 1.792 25854 2904 1 7 . 1 1 98 98 GLY CA C 98 44.746 44.746 43.968 0.778 25854 2905 1 7 . 1 1 98 98 GLY H H 98 8.539 8.539 6.317 2.222 25854 2906 1 7 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.167 0.211 25854 2907 1 7 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.434 0.506 25854 2908 1 7 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.293 -0.302 25854 2909 1 7 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.390 -0.031 25854 2910 1 7 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.459 0.447 25854 2911 1 7 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.541 -0.550 25854 2912 1 7 . 1 1 100 100 LYS H H 100 8.622 8.622 7.826 0.796 25854 2913 1 7 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.324 0.064 25854 2914 1 7 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.839 -0.933 25854 2915 1 7 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.076 2.447 25854 2916 1 7 . 1 1 101 101 GLU H H 101 7.569 7.569 7.958 -0.389 25854 2917 1 7 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.153 0.143 25854 2918 1 7 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.619 -1.244 25854 2919 1 7 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.405 -0.008 25854 2920 1 7 . 1 1 102 102 GLU H H 102 8.440 8.440 8.530 -0.090 25854 2921 1 7 . 1 1 103 103 VAL HA H 103 2.768 2.768 2.946 -0.178 25854 2922 1 7 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.122 0.224 25854 2923 1 7 . 1 1 103 103 VAL CB C 103 31.991 31.991 31.936 0.055 25854 2924 1 7 . 1 1 103 103 VAL H H 103 8.552 8.552 7.820 0.732 25854 2925 1 7 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.645 -0.031 25854 2926 1 7 . 1 1 104 104 LYS CA C 104 55.375 55.375 55.166 0.209 25854 2927 1 7 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.304 2.876 25854 2928 1 7 . 1 1 104 104 LYS H H 104 6.924 6.924 7.944 -1.020 25854 2929 1 7 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.668 0.243 25854 2930 1 7 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.422 -0.705 25854 2931 1 7 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.480 0.797 25854 2932 1 7 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.778 0.130 25854 2933 1 7 . 1 1 106 106 GLU CA C 106 57.055 57.055 55.931 1.124 25854 2934 1 7 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.114 1.956 25854 2935 1 7 . 1 1 106 106 GLU H H 106 8.982 8.982 8.902 0.080 25854 2936 1 7 . 1 1 107 107 THR HA H 107 5.524 5.524 4.700 0.824 25854 2937 1 7 . 1 1 107 107 THR CA C 107 61.220 61.220 61.923 -0.703 25854 2938 1 7 . 1 1 107 107 THR CB C 107 71.849 71.849 70.728 1.121 25854 2939 1 7 . 1 1 107 107 THR H H 107 9.357 9.357 8.979 0.378 25854 2940 1 7 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.504 0.557 25854 2941 1 7 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.248 -0.999 25854 2942 1 7 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.887 3.293 25854 2943 1 7 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.697 -0.057 25854 2944 1 7 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.611 -0.516 25854 2945 1 7 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.245 0.781 25854 2946 1 7 . 1 1 109 109 ILE H H 109 8.818 8.818 8.001 0.817 25854 2947 1 7 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.831 0.403 25854 2948 1 7 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.115 0.728 25854 2949 1 7 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.692 2.299 25854 2950 1 7 . 1 1 110 110 ARG H H 110 8.568 8.568 8.730 -0.162 25854 2951 1 7 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.823 0.051 25854 2952 1 7 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.818 -0.849 25854 2953 1 7 . 1 1 111 111 VAL CB C 111 33.585 33.585 33.013 0.572 25854 2954 1 7 . 1 1 111 111 VAL H H 111 8.935 8.935 8.352 0.583 25854 2955 1 7 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.642 -0.143 25854 2956 1 7 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.086 0.260 25854 2957 1 7 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.831 0.160 25854 2958 1 7 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.983 -0.073 25854 2959 1 7 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.558 0.348 25854 2960 1 7 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.625 -0.451 25854 2961 1 7 . 1 1 113 113 ALA H H 113 9.220 9.220 8.719 0.501 25854 2962 1 7 . 1 1 114 114 SER HA H 114 4.210 4.210 4.303 -0.093 25854 2963 1 7 . 1 1 114 114 SER CA C 114 60.157 60.157 60.407 -0.250 25854 2964 1 7 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.044 0.441 25854 2965 1 7 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.242 -2.056 25854 2966 1 7 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.091 2.208 25854 2967 1 7 . 1 1 115 115 ALA H H 115 7.752 7.752 7.728 0.024 25854 2968 1 7 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.085 -0.498 25854 2969 1 7 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.749 0.626 25854 2970 1 7 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.287 -0.113 25854 2971 1 7 . 1 1 116 116 ALA H H 116 7.429 7.429 7.772 -0.343 25854 2972 1 7 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.361 -0.021 25854 2973 1 7 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.192 -0.015 25854 2974 1 7 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.309 0.088 25854 2975 1 7 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.846 -0.194 25854 2976 1 7 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.878 0.062 25854 2977 1 7 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.979 0.012 25854 2978 1 7 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.913 -0.086 25854 2979 1 7 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.933 1.498 25854 2980 1 7 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.101 -1.039 25854 2981 1 7 . 1 1 121 121 GLY H H 121 7.924 7.924 7.539 0.385 25854 2982 1 7 . 1 1 125 125 LYS HA H 125 4.147 4.147 3.892 0.255 25854 2983 1 7 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.762 0.157 25854 2984 1 7 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.397 0.091 25854 2985 1 7 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.239 -0.864 25854 2986 1 7 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.399 -0.031 25854 2987 1 7 . 1 1 128 128 ASN H H 128 8.050 8.050 7.619 0.431 25854 2988 1 7 . 1 1 129 129 GLU H H 129 8.138 8.138 7.565 0.573 25854 2989 1 7 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.834 0.226 25854 2990 1 7 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.875 0.213 25854 2991 1 7 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.197 0.097 25854 2992 1 7 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.340 0.755 25854 2993 1 7 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.963 0.318 25854 2994 1 7 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.365 -0.094 25854 2995 1 7 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.412 0.739 25854 2996 1 7 . 1 1 134 134 THR HA H 134 4.324 4.324 4.160 0.164 25854 2997 1 7 . 1 1 134 134 THR CA C 134 61.752 61.752 63.712 -1.960 25854 2998 1 7 . 1 1 134 134 THR CB C 134 70.047 70.047 69.796 0.251 25854 2999 1 7 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.004 0.103 25854 3000 1 7 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.004 0.776 25854 3001 1 7 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.691 1.483 25854 3002 1 7 . 1 1 135 135 ALA H H 135 8.013 8.013 7.680 0.333 25854 3003 1 7 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.653 -0.114 25854 3004 1 7 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.616 0.507 25854 3005 1 7 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.732 -1.964 25854 3006 1 7 . 1 1 136 136 ALA H H 136 8.011 8.011 7.499 0.512 25854 3007 1 7 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.622 -0.191 25854 3008 1 7 . 1 1 137 137 GLU CB C 137 36.243 36.243 31.385 4.858 25854 3009 1 7 . 1 1 137 137 GLU H H 137 8.439 8.439 8.463 -0.024 25854 3010 1 7 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.750 0.132 25854 3011 1 7 . 1 1 138 138 VAL CA C 138 61.220 61.220 60.731 0.489 25854 3012 1 7 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.738 1.847 25854 3013 1 7 . 1 1 138 138 VAL H H 138 8.280 8.280 8.590 -0.310 25854 3014 1 7 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.468 -0.247 25854 3015 1 7 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.117 0.572 25854 3016 1 7 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.838 1.405 25854 3017 1 7 . 1 1 139 139 VAL H H 139 9.055 9.055 8.795 0.260 25854 3018 1 7 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.425 0.197 25854 3019 1 7 . 1 1 140 140 VAL CA C 140 58.563 58.563 59.562 -0.999 25854 3020 1 7 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.085 -0.094 25854 3021 1 7 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.392 -0.163 25854 3022 1 7 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.368 0.978 25854 3023 1 7 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.332 -0.872 25854 3024 1 7 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.297 -0.063 25854 3025 1 7 . 1 1 142 142 ARG CA C 142 56.437 56.437 55.751 0.686 25854 3026 1 7 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.136 0.792 25854 3027 1 7 . 1 1 142 142 ARG H H 142 8.499 8.499 8.414 0.085 25854 3028 1 7 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.442 -0.032 25854 3029 1 7 . 1 1 143 143 ASP CA C 143 54.312 54.312 55.102 -0.790 25854 3030 1 7 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.940 -1.509 25854 3031 1 7 . 1 1 143 143 ASP H H 143 8.691 8.691 8.648 0.043 25854 3032 1 7 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.351 0.014 25854 3033 1 7 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.456 -1.400 25854 3034 1 7 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.820 1.250 25854 3035 1 7 . 1 1 144 144 GLN H H 144 7.898 7.898 8.570 -0.672 25854 3036 1 7 . 1 1 145 145 THR HA H 145 4.619 4.619 4.842 -0.223 25854 3037 1 7 . 1 1 145 145 THR CA C 145 59.626 59.626 59.136 0.490 25854 3038 1 7 . 1 1 145 145 THR CB C 145 70.255 70.255 70.274 -0.019 25854 3039 1 7 . 1 1 145 145 THR H H 145 8.695 8.695 7.841 0.854 25854 3040 1 7 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.590 -0.250 25854 3041 1 7 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.448 0.367 25854 3042 1 7 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.364 0.185 25854 3043 1 7 . 1 1 147 147 ASP CA C 147 52.717 52.717 56.272 -3.555 25854 3044 1 7 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.631 0.395 25854 3045 1 7 . 1 1 147 147 ASP H H 147 8.506 8.506 8.525 -0.019 25854 3046 1 7 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.026 0.144 25854 3047 1 7 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.719 -0.156 25854 3048 1 7 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.532 -1.261 25854 3049 1 7 . 1 1 148 148 GLU H H 148 9.159 9.159 8.346 0.813 25854 3050 1 7 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.676 0.260 25854 3051 1 7 . 1 1 149 149 ASN CA C 149 52.717 52.717 53.309 -0.592 25854 3052 1 7 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.209 0.222 25854 3053 1 7 . 1 1 149 149 ASN H H 149 8.364 8.364 7.774 0.590 25854 3054 1 7 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.954 -0.183 25854 3055 1 7 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.742 -0.242 25854 3056 1 7 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.525 0.325 25854 3057 1 7 . 1 1 150 150 GLU H H 150 8.542 8.542 7.707 0.835 25854 3058 1 7 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.209 -0.188 25854 3059 1 7 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.783 0.060 25854 3060 1 7 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.166 -2.097 25854 3061 1 7 . 1 1 151 151 GLN H H 151 8.441 8.441 7.577 0.864 25854 3062 1 7 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.671 -0.089 25854 3063 1 7 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.907 -0.344 25854 3064 1 7 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.555 -1.438 25854 3065 1 7 . 1 1 152 152 VAL H H 152 8.999 8.999 9.204 -0.205 25854 3066 1 7 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.533 0.095 25854 3067 1 7 . 1 1 153 153 ILE CA C 153 61.220 61.220 60.123 1.097 25854 3068 1 7 . 1 1 153 153 ILE CB C 153 40.494 40.494 41.101 -0.607 25854 3069 1 7 . 1 1 153 153 ILE H H 153 8.972 8.972 8.260 0.712 25854 3070 1 7 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.626 -0.392 25854 3071 1 7 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.247 2.505 25854 3072 1 7 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.362 -1.777 25854 3073 1 7 . 1 1 154 154 VAL H H 154 8.557 8.557 7.924 0.633 25854 3074 1 7 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.877 0.277 25854 3075 1 7 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.714 0.129 25854 3076 1 7 . 1 1 155 155 LYS CB C 155 34.648 34.648 34.337 0.311 25854 3077 1 7 . 1 1 155 155 LYS H H 155 8.951 8.951 8.292 0.659 25854 3078 1 7 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.255 -0.220 25854 3079 1 7 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.992 0.165 25854 3080 1 7 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.715 1.842 25854 3081 1 7 . 1 1 156 156 ILE H H 156 9.538 9.538 9.031 0.507 25854 3082 1 7 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.590 0.511 25854 3083 1 7 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.671 1.018 25854 3084 1 7 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.041 0.453 25854 3085 1 7 . 1 1 157 157 ILE H H 157 9.468 9.468 8.597 0.871 25854 3086 1 7 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.215 0.594 25854 3087 1 7 . 1 1 158 158 GLY H H 158 8.236 8.236 8.209 0.027 25854 3088 1 7 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.862 0.683 25854 3089 1 7 . 1 1 159 159 HIS CA C 159 55.375 55.375 55.632 -0.257 25854 3090 1 7 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.002 -0.542 25854 3091 1 7 . 1 1 159 159 HIS H H 159 7.986 7.986 8.760 -0.774 25854 3092 1 7 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.112 0.074 25854 3093 1 7 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.890 1.393 25854 3094 1 7 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.288 0.079 25854 3095 1 7 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.680 -0.240 25854 3096 1 7 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.737 0.546 25854 3097 1 7 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.155 0.682 25854 3098 1 7 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.189 -0.137 25854 3099 1 7 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.233 0.610 25854 3100 1 7 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.384 0.321 25854 3101 1 7 . 1 1 162 162 ALA H H 162 7.458 7.458 8.252 -0.794 25854 3102 1 7 . 1 1 163 163 SER HA H 163 3.832 3.832 4.078 -0.246 25854 3103 1 7 . 1 1 163 163 SER CA C 163 60.050 60.050 62.338 -2.288 25854 3104 1 7 . 1 1 163 163 SER CB C 163 63.346 63.346 63.381 -0.035 25854 3105 1 7 . 1 1 163 163 SER H H 163 8.403 8.403 8.450 -0.047 25854 3106 1 7 . 1 1 164 164 GLN HA H 164 3.610 3.610 3.983 -0.373 25854 3107 1 7 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.622 -0.059 25854 3108 1 7 . 1 1 164 164 GLN CB C 164 6.594 6.594 27.970 -21.376 25854 3109 1 7 . 1 1 165 165 MET HA H 165 4.048 4.048 4.140 -0.092 25854 3110 1 7 . 1 1 165 165 MET CA C 165 58.563 58.563 58.542 0.021 25854 3111 1 7 . 1 1 165 165 MET CB C 165 31.991 31.991 32.436 -0.445 25854 3112 1 7 . 1 1 166 166 ALA HA H 166 3.918 3.918 4.012 -0.094 25854 3113 1 7 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.248 -0.172 25854 3114 1 7 . 1 1 166 166 ALA H H 166 8.208 8.208 7.830 0.378 25854 3115 1 7 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.901 -0.273 25854 3116 1 7 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.544 0.613 25854 3117 1 7 . 1 1 167 167 GLN H H 167 8.393 8.393 8.513 -0.120 25854 3118 1 7 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.043 -0.153 25854 3119 1 7 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.065 -6.029 25854 3120 1 7 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.797 0.068 25854 3121 1 7 . 1 1 168 168 ARG H H 168 8.220 8.220 8.036 0.184 25854 3122 1 7 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.136 -0.003 25854 3123 1 7 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.665 -0.102 25854 3124 1 7 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.889 0.102 25854 3125 1 7 . 1 1 169 169 LYS H H 169 8.042 8.042 7.396 0.646 25854 3126 1 7 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.758 -0.228 25854 3127 1 7 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.559 0.913 25854 3128 1 7 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.870 -1.096 25854 3129 1 7 . 1 1 170 170 ILE H H 170 8.190 8.190 8.016 0.174 25854 3130 1 7 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.033 -0.166 25854 3131 1 7 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.434 1.617 25854 3132 1 7 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.266 0.068 25854 3133 1 7 . 1 1 171 171 ARG H H 171 7.984 7.984 7.928 0.056 25854 3134 1 7 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.530 -0.101 25854 3135 1 7 . 1 1 172 172 ASP CA C 172 57.500 57.500 56.955 0.545 25854 3136 1 7 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.062 -0.568 25854 3137 1 7 . 1 1 172 172 ASP H H 172 7.993 7.993 7.685 0.308 25854 3138 1 7 . 1 1 173 173 ILE HA H 173 3.650 3.650 4.117 -0.467 25854 3139 1 7 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.781 1.691 25854 3140 1 7 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.664 0.704 25854 3141 1 7 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.958 -0.063 25854 3142 1 7 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.542 -0.042 25854 3143 1 7 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.782 0.244 25854 3144 1 7 . 1 1 174 174 LEU H H 174 8.270 8.270 7.602 0.668 25854 3145 1 7 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.995 0.149 25854 3146 1 7 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.123 -1.067 25854 3147 1 7 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.077 0.628 25854 3148 1 7 . 1 1 175 175 ALA H H 175 7.960 7.960 7.789 0.171 25854 3149 1 7 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.057 0.036 25854 3150 1 7 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.768 -0.714 25854 3151 1 7 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.755 0.315 25854 3152 1 7 . 1 1 176 176 GLN H H 176 7.696 7.696 7.634 0.062 25854 3153 1 7 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.778 0.047 25854 3154 1 7 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.366 -1.315 25854 3155 1 7 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.908 1.160 25854 3156 1 7 . 1 1 177 177 VAL H H 177 7.850 7.850 7.483 0.367 25854 3157 1 7 . 1 1 179 179 GLN H H 179 7.862 7.862 8.248 -0.386 25854 3158 1 8 . 1 1 22 22 GLN H H 22 8.152 8.152 8.572 -0.420 25854 3159 1 8 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.371 0.205 25854 3160 1 8 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.996 -0.891 25854 3161 1 8 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.129 2.302 25854 3162 1 8 . 1 1 23 23 GLU H H 23 7.926 7.926 8.632 -0.706 25854 3163 1 8 . 1 1 24 24 THR HA H 24 5.298 5.298 5.260 0.038 25854 3164 1 8 . 1 1 24 24 THR CA C 24 62.286 62.286 61.859 0.427 25854 3165 1 8 . 1 1 24 24 THR CB C 24 70.759 70.759 69.344 1.415 25854 3166 1 8 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.762 -0.327 25854 3167 1 8 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.058 0.563 25854 3168 1 8 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.017 0.006 25854 3169 1 8 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.789 -0.250 25854 3170 1 8 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.947 -1.805 25854 3171 1 8 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.239 0.478 25854 3172 1 8 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.908 -1.273 25854 3173 1 8 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.132 2.106 25854 3174 1 8 . 1 1 27 27 VAL H H 27 9.339 9.339 8.796 0.543 25854 3175 1 8 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.614 0.297 25854 3176 1 8 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.112 0.613 25854 3177 1 8 . 1 1 28 28 PHE CB C 28 38.909 38.909 40.176 -1.267 25854 3178 1 8 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.669 0.217 25854 3179 1 8 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.974 0.140 25854 3180 1 8 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.448 -1.533 25854 3181 1 8 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.346 0.162 25854 3182 1 8 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.807 0.102 25854 3183 1 8 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.624 0.217 25854 3184 1 8 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.948 -0.355 25854 3185 1 8 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.891 0.605 25854 3186 1 8 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.734 -0.663 25854 3187 1 8 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.172 0.011 25854 3188 1 8 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.970 -0.629 25854 3189 1 8 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.277 -0.410 25854 3190 1 8 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.649 -0.691 25854 3191 1 8 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.852 -1.436 25854 3192 1 8 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.887 -1.803 25854 3193 1 8 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.663 -0.777 25854 3194 1 8 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.601 1.741 25854 3195 1 8 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.829 -0.307 25854 3196 1 8 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.485 -0.586 25854 3197 1 8 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.407 -1.414 25854 3198 1 8 . 1 1 36 36 ALA CA C 36 53.238 53.238 54.170 -0.932 25854 3199 1 8 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.368 -0.121 25854 3200 1 8 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.821 -0.370 25854 3201 1 8 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.874 -2.357 25854 3202 1 8 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.871 -1.561 25854 3203 1 8 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.941 -0.052 25854 3204 1 8 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.444 1.137 25854 3205 1 8 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.834 0.006 25854 3206 1 8 . 1 1 39 39 GLY CA C 39 47.152 47.152 43.969 3.183 25854 3207 1 8 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.930 0.650 25854 3208 1 8 . 1 1 40 40 LYS CA C 40 58.370 58.370 56.557 1.813 25854 3209 1 8 . 1 1 41 41 LYS CB C 41 32.800 32.800 30.962 1.839 25854 3210 1 8 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.564 -0.222 25854 3211 1 8 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.395 -2.162 25854 3212 1 8 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.905 -0.017 25854 3213 1 8 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.212 0.426 25854 3214 1 8 . 1 1 45 45 ILE CB C 45 37.250 37.250 38.120 -0.870 25854 3215 1 8 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.300 -0.164 25854 3216 1 8 . 1 1 46 46 LYS CA C 46 59.603 59.603 56.863 2.740 25854 3217 1 8 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.774 0.696 25854 3218 1 8 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.192 -0.158 25854 3219 1 8 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.563 -0.521 25854 3220 1 8 . 1 1 48 48 LEU CA C 48 58.085 58.085 58.406 -0.321 25854 3221 1 8 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.512 0.859 25854 3222 1 8 . 1 1 49 49 SER HA H 49 4.183 4.183 4.219 -0.036 25854 3223 1 8 . 1 1 49 49 SER CA C 49 61.932 61.932 60.915 1.017 25854 3224 1 8 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.153 0.006 25854 3225 1 8 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.942 -0.511 25854 3226 1 8 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.539 -0.387 25854 3227 1 8 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.487 -0.165 25854 3228 1 8 . 1 1 51 51 PHE CA C 51 59.819 59.819 58.383 1.436 25854 3229 1 8 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.812 0.713 25854 3230 1 8 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.067 -0.304 25854 3231 1 8 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.038 0.340 25854 3232 1 8 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.490 0.888 25854 3233 1 8 . 1 1 52 52 ALA H H 52 8.465 8.465 7.262 1.203 25854 3234 1 8 . 1 1 53 53 SER CB C 53 61.826 61.826 61.479 0.347 25854 3235 1 8 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.428 0.504 25854 3236 1 8 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.622 -1.489 25854 3237 1 8 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.583 1.815 25854 3238 1 8 . 1 1 55 55 SER HA H 55 4.766 4.766 4.667 0.099 25854 3239 1 8 . 1 1 55 55 SER CB C 55 63.541 63.541 62.903 0.638 25854 3240 1 8 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.427 0.565 25854 3241 1 8 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.716 -0.525 25854 3242 1 8 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.173 1.337 25854 3243 1 8 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.751 0.003 25854 3244 1 8 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.410 0.245 25854 3245 1 8 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.794 -0.468 25854 3246 1 8 . 1 1 57 57 LYS H H 57 8.732 8.732 8.678 0.054 25854 3247 1 8 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.197 0.514 25854 3248 1 8 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.008 1.589 25854 3249 1 8 . 1 1 58 58 ILE CB C 58 37.464 37.464 37.927 -0.463 25854 3250 1 8 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.673 -0.165 25854 3251 1 8 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.849 1.839 25854 3252 1 8 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.621 -0.262 25854 3253 1 8 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.157 -0.118 25854 3254 1 8 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.154 0.804 25854 3255 1 8 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.515 0.915 25854 3256 1 8 . 1 1 63 63 THR HA H 63 4.786 4.786 4.732 0.054 25854 3257 1 8 . 1 1 63 63 THR CA C 63 58.498 58.498 58.412 0.086 25854 3258 1 8 . 1 1 63 63 THR CB C 63 69.943 69.943 70.986 -1.043 25854 3259 1 8 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.430 -0.141 25854 3260 1 8 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.457 1.276 25854 3261 1 8 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.784 -0.111 25854 3262 1 8 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.646 -0.006 25854 3263 1 8 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.168 -1.309 25854 3264 1 8 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.679 -0.219 25854 3265 1 8 . 1 1 65 65 ASP H H 65 7.985 7.985 8.132 -0.147 25854 3266 1 8 . 1 1 66 66 SER CB C 66 63.942 63.942 63.898 0.044 25854 3267 1 8 . 1 1 66 66 SER H H 66 7.515 7.515 7.494 0.021 25854 3268 1 8 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.223 0.120 25854 3269 1 8 . 1 1 67 67 LYS CA C 67 57.242 57.242 56.824 0.418 25854 3270 1 8 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.624 0.179 25854 3271 1 8 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.398 0.795 25854 3272 1 8 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.586 -0.614 25854 3273 1 8 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.128 2.088 25854 3274 1 8 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.627 0.065 25854 3275 1 8 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.513 -2.240 25854 3276 1 8 . 1 1 69 69 ARG CB C 69 32.761 32.761 34.505 -1.744 25854 3277 1 8 . 1 1 70 70 MET HA H 70 3.798 3.798 5.592 -1.794 25854 3278 1 8 . 1 1 70 70 MET CA C 70 55.444 55.444 54.898 0.546 25854 3279 1 8 . 1 1 70 70 MET CB C 70 36.034 36.034 35.303 0.731 25854 3280 1 8 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.253 0.059 25854 3281 1 8 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.686 -0.789 25854 3282 1 8 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.200 0.462 25854 3283 1 8 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.679 0.087 25854 3284 1 8 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.205 -0.741 25854 3285 1 8 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.412 -0.479 25854 3286 1 8 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.608 2.183 25854 3287 1 8 . 1 1 73 73 ILE CB C 73 40.101 40.101 41.608 -1.507 25854 3288 1 8 . 1 1 73 73 ILE H H 73 8.981 8.981 8.341 0.640 25854 3289 1 8 . 1 1 74 74 THR HA H 74 5.630 5.630 5.364 0.266 25854 3290 1 8 . 1 1 74 74 THR CA C 74 60.813 60.813 61.148 -0.334 25854 3291 1 8 . 1 1 74 74 THR CB C 74 70.966 70.966 70.529 0.437 25854 3292 1 8 . 1 1 74 74 THR H H 74 9.227 9.227 8.584 0.643 25854 3293 1 8 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.066 0.967 25854 3294 1 8 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.874 0.295 25854 3295 1 8 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.395 1.053 25854 3296 1 8 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.139 -0.572 25854 3297 1 8 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.133 -0.173 25854 3298 1 8 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.939 1.147 25854 3299 1 8 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.079 0.056 25854 3300 1 8 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.085 0.814 25854 3301 1 8 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.654 0.377 25854 3302 1 8 . 1 1 78 78 GLU H H 78 9.555 9.555 8.856 0.699 25854 3303 1 8 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.140 0.229 25854 3304 1 8 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.595 -0.322 25854 3305 1 8 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.285 1.844 25854 3306 1 8 . 1 1 79 79 ALA H H 79 7.018 7.018 7.788 -0.770 25854 3307 1 8 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.042 -0.260 25854 3308 1 8 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.258 -0.117 25854 3309 1 8 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.421 -0.317 25854 3310 1 8 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.982 -0.573 25854 3311 1 8 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.066 0.464 25854 3312 1 8 . 1 1 81 81 PHE H H 81 8.005 8.005 7.919 0.086 25854 3313 1 8 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.133 -0.136 25854 3314 1 8 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.038 0.973 25854 3315 1 8 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.203 -0.266 25854 3316 1 8 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.073 0.166 25854 3317 1 8 . 1 1 83 83 ALA CB C 83 19.027 19.027 17.882 1.145 25854 3318 1 8 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.977 0.449 25854 3319 1 8 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.239 -0.084 25854 3320 1 8 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.901 -0.848 25854 3321 1 8 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.812 0.361 25854 3322 1 8 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.826 -0.342 25854 3323 1 8 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.952 1.750 25854 3324 1 8 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.706 -0.324 25854 3325 1 8 . 1 1 87 87 ILE H H 87 7.681 7.681 7.346 0.335 25854 3326 1 8 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.325 -0.527 25854 3327 1 8 . 1 1 88 88 TYR CA C 88 62.987 62.987 60.093 2.894 25854 3328 1 8 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.586 0.518 25854 3329 1 8 . 1 1 88 88 TYR H H 88 8.021 8.021 8.929 -0.908 25854 3330 1 8 . 1 1 89 89 GLY H H 89 8.005 8.005 7.876 0.129 25854 3331 1 8 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.119 0.058 25854 3332 1 8 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.557 -1.139 25854 3333 1 8 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.652 -0.262 25854 3334 1 8 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.295 -0.157 25854 3335 1 8 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.481 -0.676 25854 3336 1 8 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.164 -0.431 25854 3337 1 8 . 1 1 91 91 LEU H H 91 7.545 7.545 7.475 0.070 25854 3338 1 8 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.226 0.090 25854 3339 1 8 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.778 -0.013 25854 3340 1 8 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.692 0.442 25854 3341 1 8 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.130 -0.045 25854 3342 1 8 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.659 0.279 25854 3343 1 8 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.348 -0.089 25854 3344 1 8 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.438 -0.044 25854 3345 1 8 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.617 -0.082 25854 3346 1 8 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.395 0.113 25854 3347 1 8 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.579 0.920 25854 3348 1 8 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.515 0.539 25854 3349 1 8 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.127 0.030 25854 3350 1 8 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.219 0.411 25854 3351 1 8 . 1 1 96 96 PHE CB C 96 38.473 38.473 38.711 -0.238 25854 3352 1 8 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.754 -0.203 25854 3353 1 8 . 1 1 97 97 PHE CA C 97 57.092 57.092 58.602 -1.510 25854 3354 1 8 . 1 1 97 97 PHE CB C 97 41.072 41.072 41.104 -0.032 25854 3355 1 8 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.454 0.292 25854 3356 1 8 . 1 1 98 98 GLY H H 98 8.539 8.539 7.680 0.859 25854 3357 1 8 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.285 0.093 25854 3358 1 8 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.605 0.335 25854 3359 1 8 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.309 -0.318 25854 3360 1 8 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.504 -0.145 25854 3361 1 8 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.001 0.905 25854 3362 1 8 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.107 -0.116 25854 3363 1 8 . 1 1 100 100 LYS H H 100 8.622 8.622 8.273 0.349 25854 3364 1 8 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.414 -0.026 25854 3365 1 8 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.337 0.569 25854 3366 1 8 . 1 1 101 101 GLU CB C 101 32.523 32.523 31.064 1.459 25854 3367 1 8 . 1 1 101 101 GLU H H 101 7.569 7.569 7.310 0.259 25854 3368 1 8 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.130 0.166 25854 3369 1 8 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.730 -1.355 25854 3370 1 8 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.314 0.083 25854 3371 1 8 . 1 1 102 102 GLU H H 102 8.440 8.440 8.560 -0.120 25854 3372 1 8 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.560 -0.792 25854 3373 1 8 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.252 1.094 25854 3374 1 8 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.296 -0.305 25854 3375 1 8 . 1 1 103 103 VAL H H 103 8.552 8.552 8.367 0.185 25854 3376 1 8 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.799 -0.185 25854 3377 1 8 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.376 0.999 25854 3378 1 8 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.822 2.358 25854 3379 1 8 . 1 1 104 104 LYS H H 104 6.924 6.924 7.766 -0.842 25854 3380 1 8 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.767 0.144 25854 3381 1 8 . 1 1 105 105 LEU CA C 105 52.717 52.717 52.424 0.293 25854 3382 1 8 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.618 0.659 25854 3383 1 8 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.204 0.704 25854 3384 1 8 . 1 1 106 106 GLU CA C 106 57.055 57.055 56.470 0.585 25854 3385 1 8 . 1 1 106 106 GLU CB C 106 32.070 32.070 29.560 2.510 25854 3386 1 8 . 1 1 106 106 GLU H H 106 8.982 8.982 8.976 0.006 25854 3387 1 8 . 1 1 107 107 THR HA H 107 5.524 5.524 4.737 0.787 25854 3388 1 8 . 1 1 107 107 THR CA C 107 61.220 61.220 61.858 -0.638 25854 3389 1 8 . 1 1 107 107 THR CB C 107 71.849 71.849 70.392 1.457 25854 3390 1 8 . 1 1 107 107 THR H H 107 9.357 9.357 8.622 0.735 25854 3391 1 8 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.180 0.881 25854 3392 1 8 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.501 -1.252 25854 3393 1 8 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.236 3.944 25854 3394 1 8 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.707 -0.067 25854 3395 1 8 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.534 -0.439 25854 3396 1 8 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.667 0.359 25854 3397 1 8 . 1 1 109 109 ILE H H 109 8.818 8.818 8.476 0.342 25854 3398 1 8 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.239 -0.005 25854 3399 1 8 . 1 1 110 110 ARG CA C 110 54.843 54.843 53.969 0.874 25854 3400 1 8 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.132 1.859 25854 3401 1 8 . 1 1 110 110 ARG H H 110 8.568 8.568 8.880 -0.312 25854 3402 1 8 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.694 0.180 25854 3403 1 8 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.770 -0.801 25854 3404 1 8 . 1 1 111 111 VAL CB C 111 33.585 33.585 32.762 0.823 25854 3405 1 8 . 1 1 111 111 VAL H H 111 8.935 8.935 8.726 0.209 25854 3406 1 8 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.613 -0.114 25854 3407 1 8 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.001 0.345 25854 3408 1 8 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.891 0.100 25854 3409 1 8 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.980 -0.070 25854 3410 1 8 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.528 0.378 25854 3411 1 8 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.586 -0.412 25854 3412 1 8 . 1 1 113 113 ALA H H 113 9.220 9.220 8.620 0.600 25854 3413 1 8 . 1 1 114 114 SER HA H 114 4.210 4.210 4.214 -0.004 25854 3414 1 8 . 1 1 114 114 SER CA C 114 60.157 60.157 60.719 -0.562 25854 3415 1 8 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.058 0.427 25854 3416 1 8 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.353 -2.167 25854 3417 1 8 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.051 2.248 25854 3418 1 8 . 1 1 115 115 ALA H H 115 7.752 7.752 7.657 0.095 25854 3419 1 8 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.101 -0.514 25854 3420 1 8 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.616 0.759 25854 3421 1 8 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.364 -0.190 25854 3422 1 8 . 1 1 116 116 ALA H H 116 7.429 7.429 7.823 -0.394 25854 3423 1 8 . 1 1 117 117 GLY CA C 117 46.340 46.340 45.975 0.365 25854 3424 1 8 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.285 -0.108 25854 3425 1 8 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.456 -0.059 25854 3426 1 8 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.774 -0.122 25854 3427 1 8 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.465 -0.525 25854 3428 1 8 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.124 -0.133 25854 3429 1 8 . 1 1 120 120 ILE HA H 120 3.827 3.827 4.151 -0.324 25854 3430 1 8 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.425 1.006 25854 3431 1 8 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.404 -1.341 25854 3432 1 8 . 1 1 121 121 GLY H H 121 7.924 7.924 7.396 0.528 25854 3433 1 8 . 1 1 125 125 LYS HA H 125 4.147 4.147 3.809 0.338 25854 3434 1 8 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.808 0.111 25854 3435 1 8 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.540 -0.053 25854 3436 1 8 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.781 -1.406 25854 3437 1 8 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.197 0.171 25854 3438 1 8 . 1 1 128 128 ASN H H 128 8.050 8.050 8.465 -0.415 25854 3439 1 8 . 1 1 129 129 GLU H H 129 8.138 8.138 8.127 0.011 25854 3440 1 8 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.919 0.141 25854 3441 1 8 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.833 0.255 25854 3442 1 8 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.141 0.153 25854 3443 1 8 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.766 0.329 25854 3444 1 8 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.553 0.728 25854 3445 1 8 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.464 -0.193 25854 3446 1 8 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.319 0.832 25854 3447 1 8 . 1 1 134 134 THR HA H 134 4.324 4.324 4.282 0.042 25854 3448 1 8 . 1 1 134 134 THR CA C 134 61.752 61.752 63.123 -1.371 25854 3449 1 8 . 1 1 134 134 THR CB C 134 70.047 70.047 70.367 -0.320 25854 3450 1 8 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.934 0.173 25854 3451 1 8 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.973 0.807 25854 3452 1 8 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.819 1.355 25854 3453 1 8 . 1 1 135 135 ALA H H 135 8.013 8.013 7.942 0.071 25854 3454 1 8 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.611 -0.072 25854 3455 1 8 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.252 0.871 25854 3456 1 8 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.696 -1.928 25854 3457 1 8 . 1 1 136 136 ALA H H 136 8.011 8.011 7.214 0.797 25854 3458 1 8 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.522 -0.091 25854 3459 1 8 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.747 5.496 25854 3460 1 8 . 1 1 137 137 GLU H H 137 8.439 8.439 8.424 0.015 25854 3461 1 8 . 1 1 138 138 VAL HA H 138 4.882 4.882 5.108 -0.226 25854 3462 1 8 . 1 1 138 138 VAL CA C 138 61.220 61.220 60.344 0.876 25854 3463 1 8 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.859 1.726 25854 3464 1 8 . 1 1 138 138 VAL H H 138 8.280 8.280 8.309 -0.029 25854 3465 1 8 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.437 -0.216 25854 3466 1 8 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.653 0.036 25854 3467 1 8 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.930 0.313 25854 3468 1 8 . 1 1 139 139 VAL H H 139 9.055 9.055 8.442 0.613 25854 3469 1 8 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.650 -0.028 25854 3470 1 8 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.733 0.830 25854 3471 1 8 . 1 1 140 140 VAL CB C 140 31.991 31.991 33.050 -1.059 25854 3472 1 8 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.442 -0.213 25854 3473 1 8 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.904 0.442 25854 3474 1 8 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.254 -0.794 25854 3475 1 8 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.274 -0.040 25854 3476 1 8 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.038 -0.601 25854 3477 1 8 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.242 0.686 25854 3478 1 8 . 1 1 142 142 ARG H H 142 8.499 8.499 8.537 -0.038 25854 3479 1 8 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.756 -0.346 25854 3480 1 8 . 1 1 143 143 ASP CA C 143 54.312 54.312 53.726 0.586 25854 3481 1 8 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.071 -0.640 25854 3482 1 8 . 1 1 143 143 ASP H H 143 8.691 8.691 8.108 0.583 25854 3483 1 8 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.407 -0.042 25854 3484 1 8 . 1 1 144 144 GLN CA C 144 55.056 55.056 54.766 0.290 25854 3485 1 8 . 1 1 144 144 GLN CB C 144 31.069 31.069 30.433 0.636 25854 3486 1 8 . 1 1 144 144 GLN H H 144 7.898 7.898 7.791 0.107 25854 3487 1 8 . 1 1 145 145 THR HA H 145 4.619 4.619 4.251 0.368 25854 3488 1 8 . 1 1 145 145 THR CA C 145 59.626 59.626 61.477 -1.851 25854 3489 1 8 . 1 1 145 145 THR CB C 145 70.255 70.255 68.166 2.089 25854 3490 1 8 . 1 1 145 145 THR H H 145 8.695 8.695 8.315 0.380 25854 3491 1 8 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.357 -0.017 25854 3492 1 8 . 1 1 146 146 PRO CA C 146 62.815 62.815 63.157 -0.342 25854 3493 1 8 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.438 0.111 25854 3494 1 8 . 1 1 147 147 ASP CA C 147 52.717 52.717 56.032 -3.315 25854 3495 1 8 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.353 0.673 25854 3496 1 8 . 1 1 147 147 ASP H H 147 8.506 8.506 8.720 -0.214 25854 3497 1 8 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.064 0.106 25854 3498 1 8 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.902 -0.339 25854 3499 1 8 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.346 -1.075 25854 3500 1 8 . 1 1 148 148 GLU H H 148 9.159 9.159 8.558 0.601 25854 3501 1 8 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.663 0.273 25854 3502 1 8 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.977 -0.260 25854 3503 1 8 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.021 0.410 25854 3504 1 8 . 1 1 149 149 ASN H H 149 8.364 8.364 7.671 0.693 25854 3505 1 8 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.970 -0.199 25854 3506 1 8 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.623 -0.124 25854 3507 1 8 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.333 0.517 25854 3508 1 8 . 1 1 150 150 GLU H H 150 8.542 8.542 7.755 0.787 25854 3509 1 8 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.103 -0.082 25854 3510 1 8 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.286 -0.443 25854 3511 1 8 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.145 -1.076 25854 3512 1 8 . 1 1 151 151 GLN H H 151 8.441 8.441 7.745 0.696 25854 3513 1 8 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.671 -0.089 25854 3514 1 8 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.478 0.085 25854 3515 1 8 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.238 -1.121 25854 3516 1 8 . 1 1 152 152 VAL H H 152 8.999 8.999 9.184 -0.185 25854 3517 1 8 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.808 -0.180 25854 3518 1 8 . 1 1 153 153 ILE CA C 153 61.220 61.220 60.151 1.069 25854 3519 1 8 . 1 1 153 153 ILE CB C 153 40.494 40.494 39.928 0.565 25854 3520 1 8 . 1 1 153 153 ILE H H 153 8.972 8.972 8.287 0.685 25854 3521 1 8 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.725 -0.491 25854 3522 1 8 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.113 2.639 25854 3523 1 8 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.542 -1.957 25854 3524 1 8 . 1 1 154 154 VAL H H 154 8.557 8.557 8.553 0.004 25854 3525 1 8 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.912 0.242 25854 3526 1 8 . 1 1 155 155 LYS CA C 155 54.843 54.843 55.158 -0.315 25854 3527 1 8 . 1 1 155 155 LYS CB C 155 34.648 34.648 34.508 0.140 25854 3528 1 8 . 1 1 155 155 LYS H H 155 8.951 8.951 8.644 0.307 25854 3529 1 8 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.246 -0.211 25854 3530 1 8 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.970 0.187 25854 3531 1 8 . 1 1 156 156 ILE CB C 156 41.557 41.557 40.462 1.095 25854 3532 1 8 . 1 1 156 156 ILE H H 156 9.538 9.538 8.651 0.887 25854 3533 1 8 . 1 1 157 157 ILE HA H 157 5.101 5.101 5.091 0.010 25854 3534 1 8 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.803 0.886 25854 3535 1 8 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.222 0.272 25854 3536 1 8 . 1 1 157 157 ILE H H 157 9.468 9.468 8.318 1.150 25854 3537 1 8 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.161 0.648 25854 3538 1 8 . 1 1 158 158 GLY H H 158 8.236 8.236 7.959 0.277 25854 3539 1 8 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.192 0.353 25854 3540 1 8 . 1 1 159 159 HIS CA C 159 55.375 55.375 53.191 2.184 25854 3541 1 8 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.375 0.084 25854 3542 1 8 . 1 1 159 159 HIS H H 159 7.986 7.986 8.132 -0.146 25854 3543 1 8 . 1 1 160 160 PHE HA H 160 3.186 3.186 4.125 -0.939 25854 3544 1 8 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.400 0.883 25854 3545 1 8 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.857 0.511 25854 3546 1 8 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.198 -0.758 25854 3547 1 8 . 1 1 161 161 TYR CA C 161 62.283 62.283 59.913 2.370 25854 3548 1 8 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.170 1.667 25854 3549 1 8 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.037 0.015 25854 3550 1 8 . 1 1 162 162 ALA CA C 162 54.843 54.843 53.756 1.087 25854 3551 1 8 . 1 1 162 162 ALA CB C 162 18.705 18.705 17.937 0.768 25854 3552 1 8 . 1 1 162 162 ALA H H 162 7.458 7.458 7.149 0.309 25854 3553 1 8 . 1 1 163 163 SER HA H 163 3.832 3.832 3.922 -0.090 25854 3554 1 8 . 1 1 163 163 SER CA C 163 60.050 60.050 62.042 -1.992 25854 3555 1 8 . 1 1 163 163 SER CB C 163 63.346 63.346 62.987 0.359 25854 3556 1 8 . 1 1 163 163 SER H H 163 8.403 8.403 8.386 0.017 25854 3557 1 8 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.224 -0.614 25854 3558 1 8 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.578 -0.015 25854 3559 1 8 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.676 -22.082 25854 3560 1 8 . 1 1 165 165 MET HA H 165 4.048 4.048 4.155 -0.107 25854 3561 1 8 . 1 1 165 165 MET CA C 165 58.563 58.563 58.930 -0.367 25854 3562 1 8 . 1 1 165 165 MET CB C 165 31.991 31.991 32.659 -0.668 25854 3563 1 8 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.908 0.010 25854 3564 1 8 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.063 0.013 25854 3565 1 8 . 1 1 166 166 ALA H H 166 8.208 8.208 8.401 -0.193 25854 3566 1 8 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.857 -0.229 25854 3567 1 8 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.684 0.473 25854 3568 1 8 . 1 1 167 167 GLN H H 167 8.393 8.393 8.634 -0.241 25854 3569 1 8 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.177 -0.287 25854 3570 1 8 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.469 -5.434 25854 3571 1 8 . 1 1 168 168 ARG CB C 168 29.865 29.865 30.003 -0.138 25854 3572 1 8 . 1 1 168 168 ARG H H 168 8.220 8.220 7.558 0.662 25854 3573 1 8 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.149 -0.016 25854 3574 1 8 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.553 0.010 25854 3575 1 8 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.039 -0.048 25854 3576 1 8 . 1 1 169 169 LYS H H 169 8.042 8.042 7.959 0.083 25854 3577 1 8 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.806 -0.276 25854 3578 1 8 . 1 1 170 170 ILE CA C 170 65.472 65.472 63.792 1.680 25854 3579 1 8 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.877 -1.103 25854 3580 1 8 . 1 1 170 170 ILE H H 170 8.190 8.190 8.449 -0.259 25854 3581 1 8 . 1 1 171 171 ARG HA H 171 3.867 3.867 3.959 -0.092 25854 3582 1 8 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.987 1.064 25854 3583 1 8 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.276 0.057 25854 3584 1 8 . 1 1 171 171 ARG H H 171 7.984 7.984 7.842 0.142 25854 3585 1 8 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.446 -0.017 25854 3586 1 8 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.402 0.098 25854 3587 1 8 . 1 1 172 172 ASP CB C 172 40.494 40.494 40.857 -0.363 25854 3588 1 8 . 1 1 172 172 ASP H H 172 7.993 7.993 7.848 0.145 25854 3589 1 8 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.890 -0.240 25854 3590 1 8 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.769 1.703 25854 3591 1 8 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.626 0.742 25854 3592 1 8 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.971 -0.076 25854 3593 1 8 . 1 1 174 174 LEU CA C 174 57.500 57.500 58.224 -0.724 25854 3594 1 8 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.534 0.492 25854 3595 1 8 . 1 1 174 174 LEU H H 174 8.270 8.270 7.707 0.563 25854 3596 1 8 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.963 0.181 25854 3597 1 8 . 1 1 175 175 ALA CA C 175 54.056 54.056 54.802 -0.746 25854 3598 1 8 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.339 0.366 25854 3599 1 8 . 1 1 175 175 ALA H H 175 7.960 7.960 7.648 0.312 25854 3600 1 8 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.081 0.012 25854 3601 1 8 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.405 -0.351 25854 3602 1 8 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.784 0.286 25854 3603 1 8 . 1 1 176 176 GLN H H 176 7.696 7.696 7.516 0.180 25854 3604 1 8 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.795 0.030 25854 3605 1 8 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.661 -1.610 25854 3606 1 8 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.775 0.293 25854 3607 1 8 . 1 1 177 177 VAL H H 177 7.850 7.850 8.084 -0.234 25854 3608 1 8 . 1 1 179 179 GLN H H 179 7.862 7.862 7.571 0.291 25854 3609 1 9 . 1 1 22 22 GLN H H 22 8.152 8.152 7.563 0.589 25854 3610 1 9 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.647 -0.071 25854 3611 1 9 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.110 -0.005 25854 3612 1 9 . 1 1 23 23 GLU CB C 23 32.431 32.431 32.204 0.227 25854 3613 1 9 . 1 1 23 23 GLU H H 23 7.926 7.926 8.967 -1.041 25854 3614 1 9 . 1 1 24 24 THR HA H 24 5.298 5.298 4.969 0.329 25854 3615 1 9 . 1 1 24 24 THR CA C 24 62.286 62.286 62.411 -0.125 25854 3616 1 9 . 1 1 24 24 THR CB C 24 70.759 70.759 69.325 1.434 25854 3617 1 9 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.526 -0.091 25854 3618 1 9 . 1 1 25 25 VAL CA C 25 60.621 60.621 61.161 -0.540 25854 3619 1 9 . 1 1 25 25 VAL CB C 25 35.023 35.023 36.495 -1.472 25854 3620 1 9 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.445 0.094 25854 3621 1 9 . 1 1 26 26 HIS CA C 26 52.142 52.142 54.165 -2.023 25854 3622 1 9 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.427 0.290 25854 3623 1 9 . 1 1 27 27 VAL CA C 27 60.635 60.635 60.730 -0.095 25854 3624 1 9 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.210 2.028 25854 3625 1 9 . 1 1 27 27 VAL H H 27 9.339 9.339 8.821 0.518 25854 3626 1 9 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.631 0.280 25854 3627 1 9 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.797 0.928 25854 3628 1 9 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.392 -0.483 25854 3629 1 9 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.683 0.203 25854 3630 1 9 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.151 -0.037 25854 3631 1 9 . 1 1 29 29 ILE CB C 29 38.915 38.915 39.989 -1.074 25854 3632 1 9 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.216 0.292 25854 3633 1 9 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.980 -0.071 25854 3634 1 9 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.180 0.661 25854 3635 1 9 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.947 -0.354 25854 3636 1 9 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.776 0.720 25854 3637 1 9 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.838 -0.767 25854 3638 1 9 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.287 -0.104 25854 3639 1 9 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.358 -0.017 25854 3640 1 9 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.950 -1.083 25854 3641 1 9 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.637 -0.679 25854 3642 1 9 . 1 1 33 33 ALA CA C 33 51.416 51.416 53.215 -1.799 25854 3643 1 9 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.662 -1.578 25854 3644 1 9 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.600 -0.714 25854 3645 1 9 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.664 1.678 25854 3646 1 9 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.717 -0.195 25854 3647 1 9 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.316 -0.417 25854 3648 1 9 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.340 -1.347 25854 3649 1 9 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.784 -0.546 25854 3650 1 9 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.456 -0.209 25854 3651 1 9 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.754 -0.303 25854 3652 1 9 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.404 -1.887 25854 3653 1 9 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.812 -1.502 25854 3654 1 9 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.801 0.088 25854 3655 1 9 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.590 0.991 25854 3656 1 9 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.516 0.324 25854 3657 1 9 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.694 2.458 25854 3658 1 9 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.771 0.809 25854 3659 1 9 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.298 1.072 25854 3660 1 9 . 1 1 41 41 LYS CB C 41 32.800 32.800 31.913 0.887 25854 3661 1 9 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.376 -0.034 25854 3662 1 9 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.178 -2.945 25854 3663 1 9 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.816 0.072 25854 3664 1 9 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.847 -0.209 25854 3665 1 9 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.993 -0.744 25854 3666 1 9 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.112 0.024 25854 3667 1 9 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.183 1.420 25854 3668 1 9 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.964 0.506 25854 3669 1 9 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.059 -0.025 25854 3670 1 9 . 1 1 48 48 LEU HA H 48 4.042 4.042 2.424 1.618 25854 3671 1 9 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.380 0.705 25854 3672 1 9 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.804 0.567 25854 3673 1 9 . 1 1 49 49 SER HA H 49 4.183 4.183 3.926 0.257 25854 3674 1 9 . 1 1 49 49 SER CA C 49 61.932 61.932 61.713 0.219 25854 3675 1 9 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.159 -0.000 25854 3676 1 9 . 1 1 50 50 ARG CA C 50 58.431 58.431 57.884 0.547 25854 3677 1 9 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.842 0.310 25854 3678 1 9 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.635 -0.313 25854 3679 1 9 . 1 1 51 51 PHE CA C 51 59.819 59.819 57.550 2.269 25854 3680 1 9 . 1 1 51 51 PHE CB C 51 39.525 39.525 37.348 2.177 25854 3681 1 9 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.458 -0.695 25854 3682 1 9 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.835 0.543 25854 3683 1 9 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.225 0.153 25854 3684 1 9 . 1 1 52 52 ALA H H 52 8.465 8.465 7.355 1.110 25854 3685 1 9 . 1 1 53 53 SER CB C 53 61.826 61.826 61.360 0.466 25854 3686 1 9 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.614 0.318 25854 3687 1 9 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.918 -1.785 25854 3688 1 9 . 1 1 54 54 ALA CB C 54 23.398 23.398 22.078 1.320 25854 3689 1 9 . 1 1 55 55 SER HA H 55 4.766 4.766 4.629 0.137 25854 3690 1 9 . 1 1 55 55 SER CB C 55 63.541 63.541 63.174 0.367 25854 3691 1 9 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.655 0.337 25854 3692 1 9 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.428 -0.237 25854 3693 1 9 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.408 1.103 25854 3694 1 9 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.707 0.047 25854 3695 1 9 . 1 1 57 57 LYS CA C 57 54.655 54.655 55.050 -0.395 25854 3696 1 9 . 1 1 57 57 LYS CB C 57 36.326 36.326 37.552 -1.226 25854 3697 1 9 . 1 1 57 57 LYS H H 57 8.732 8.732 8.243 0.489 25854 3698 1 9 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.031 0.680 25854 3699 1 9 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.771 0.826 25854 3700 1 9 . 1 1 58 58 ILE CB C 58 37.464 37.464 37.745 -0.281 25854 3701 1 9 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.720 -0.212 25854 3702 1 9 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.028 2.660 25854 3703 1 9 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.917 -0.558 25854 3704 1 9 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.064 -0.025 25854 3705 1 9 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.364 0.594 25854 3706 1 9 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.815 0.615 25854 3707 1 9 . 1 1 63 63 THR HA H 63 4.786 4.786 4.748 0.038 25854 3708 1 9 . 1 1 63 63 THR CA C 63 58.498 58.498 58.764 -0.266 25854 3709 1 9 . 1 1 63 63 THR CB C 63 69.943 69.943 69.889 0.054 25854 3710 1 9 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.340 -0.051 25854 3711 1 9 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.913 0.820 25854 3712 1 9 . 1 1 64 64 PRO CB C 64 31.673 31.673 32.045 -0.372 25854 3713 1 9 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.636 0.004 25854 3714 1 9 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.442 -0.583 25854 3715 1 9 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.742 -0.282 25854 3716 1 9 . 1 1 65 65 ASP H H 65 7.985 7.985 8.041 -0.056 25854 3717 1 9 . 1 1 66 66 SER CB C 66 63.942 63.942 63.653 0.289 25854 3718 1 9 . 1 1 66 66 SER H H 66 7.515 7.515 7.521 -0.007 25854 3719 1 9 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.200 0.142 25854 3720 1 9 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.465 -0.223 25854 3721 1 9 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.671 0.132 25854 3722 1 9 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.277 0.916 25854 3723 1 9 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.051 -1.079 25854 3724 1 9 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.846 1.370 25854 3725 1 9 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.540 0.152 25854 3726 1 9 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.336 -2.063 25854 3727 1 9 . 1 1 69 69 ARG CB C 69 32.761 32.761 34.261 -1.500 25854 3728 1 9 . 1 1 70 70 MET HA H 70 3.798 3.798 5.102 -1.304 25854 3729 1 9 . 1 1 70 70 MET CA C 70 55.444 55.444 55.586 -0.142 25854 3730 1 9 . 1 1 70 70 MET CB C 70 36.034 36.034 34.517 1.517 25854 3731 1 9 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.361 -0.049 25854 3732 1 9 . 1 1 71 71 VAL CA C 71 60.897 60.897 60.137 0.760 25854 3733 1 9 . 1 1 72 72 VAL HA H 72 4.662 4.662 3.875 0.787 25854 3734 1 9 . 1 1 72 72 VAL CA C 72 61.766 61.766 62.587 -0.821 25854 3735 1 9 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.125 0.339 25854 3736 1 9 . 1 1 73 73 ILE HA H 73 4.933 4.933 4.367 0.566 25854 3737 1 9 . 1 1 73 73 ILE CA C 73 60.790 60.790 59.594 1.196 25854 3738 1 9 . 1 1 73 73 ILE CB C 73 40.101 40.101 38.148 1.954 25854 3739 1 9 . 1 1 73 73 ILE H H 73 8.981 8.981 8.933 0.048 25854 3740 1 9 . 1 1 74 74 THR HA H 74 5.630 5.630 5.742 -0.112 25854 3741 1 9 . 1 1 74 74 THR CA C 74 60.813 60.813 60.831 -0.018 25854 3742 1 9 . 1 1 74 74 THR CB C 74 70.966 70.966 70.038 0.928 25854 3743 1 9 . 1 1 74 74 THR H H 74 9.227 9.227 8.569 0.658 25854 3744 1 9 . 1 1 75 75 GLY CA C 75 45.032 45.032 43.993 1.039 25854 3745 1 9 . 1 1 76 76 PRO HA H 76 5.169 5.169 5.266 -0.097 25854 3746 1 9 . 1 1 76 76 PRO CA C 76 62.448 62.448 60.810 1.638 25854 3747 1 9 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.998 -0.431 25854 3748 1 9 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.071 -0.111 25854 3749 1 9 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.079 1.006 25854 3750 1 9 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.032 0.103 25854 3751 1 9 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.412 0.487 25854 3752 1 9 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.312 -0.282 25854 3753 1 9 . 1 1 78 78 GLU H H 78 9.555 9.555 8.445 1.110 25854 3754 1 9 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.103 0.266 25854 3755 1 9 . 1 1 79 79 ALA CA C 79 54.273 54.273 55.040 -0.767 25854 3756 1 9 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.232 1.897 25854 3757 1 9 . 1 1 79 79 ALA H H 79 7.018 7.018 7.828 -0.810 25854 3758 1 9 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.082 -0.300 25854 3759 1 9 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.644 -0.503 25854 3760 1 9 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.284 -0.180 25854 3761 1 9 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.974 -0.565 25854 3762 1 9 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.237 0.293 25854 3763 1 9 . 1 1 81 81 PHE H H 81 8.005 8.005 7.897 0.108 25854 3764 1 9 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.146 -0.149 25854 3765 1 9 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.007 1.004 25854 3766 1 9 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.117 -0.180 25854 3767 1 9 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.270 -0.032 25854 3768 1 9 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.099 0.928 25854 3769 1 9 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.695 0.731 25854 3770 1 9 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.176 -0.021 25854 3771 1 9 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.305 -0.252 25854 3772 1 9 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.650 0.523 25854 3773 1 9 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.825 -0.341 25854 3774 1 9 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.676 2.026 25854 3775 1 9 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.348 0.034 25854 3776 1 9 . 1 1 87 87 ILE H H 87 7.681 7.681 7.700 -0.019 25854 3777 1 9 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.174 -0.376 25854 3778 1 9 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.585 1.402 25854 3779 1 9 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.298 0.806 25854 3780 1 9 . 1 1 88 88 TYR H H 88 8.021 8.021 9.181 -1.160 25854 3781 1 9 . 1 1 89 89 GLY H H 89 8.005 8.005 7.910 0.095 25854 3782 1 9 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.145 0.032 25854 3783 1 9 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.953 -1.535 25854 3784 1 9 . 1 1 90 90 LYS CB C 90 31.390 31.390 32.007 -0.617 25854 3785 1 9 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.274 -0.136 25854 3786 1 9 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.016 -0.211 25854 3787 1 9 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.497 -0.764 25854 3788 1 9 . 1 1 91 91 LEU H H 91 7.545 7.545 7.745 -0.200 25854 3789 1 9 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.475 -0.159 25854 3790 1 9 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.540 0.225 25854 3791 1 9 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.534 -0.400 25854 3792 1 9 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.121 -0.036 25854 3793 1 9 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.758 0.180 25854 3794 1 9 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.214 0.045 25854 3795 1 9 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.186 0.208 25854 3796 1 9 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.689 -0.154 25854 3797 1 9 . 1 1 95 95 ASN HA H 95 4.508 4.508 3.789 0.719 25854 3798 1 9 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.953 1.546 25854 3799 1 9 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.166 0.888 25854 3800 1 9 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.067 0.090 25854 3801 1 9 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.935 0.695 25854 3802 1 9 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.242 -0.769 25854 3803 1 9 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.451 0.100 25854 3804 1 9 . 1 1 97 97 PHE CA C 97 57.092 57.092 59.044 -1.952 25854 3805 1 9 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.000 2.072 25854 3806 1 9 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.345 0.401 25854 3807 1 9 . 1 1 98 98 GLY H H 98 8.539 8.539 6.663 1.876 25854 3808 1 9 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.226 0.152 25854 3809 1 9 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.442 0.498 25854 3810 1 9 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.363 -0.372 25854 3811 1 9 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.319 0.040 25854 3812 1 9 . 1 1 100 100 LYS CA C 100 55.906 55.906 56.099 -0.194 25854 3813 1 9 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.130 -0.140 25854 3814 1 9 . 1 1 100 100 LYS H H 100 8.622 8.622 8.033 0.589 25854 3815 1 9 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.330 0.058 25854 3816 1 9 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.367 -0.461 25854 3817 1 9 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.536 1.987 25854 3818 1 9 . 1 1 101 101 GLU H H 101 7.569 7.569 7.859 -0.290 25854 3819 1 9 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.289 0.007 25854 3820 1 9 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.623 -1.248 25854 3821 1 9 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.023 0.374 25854 3822 1 9 . 1 1 102 102 GLU H H 102 8.440 8.440 8.647 -0.207 25854 3823 1 9 . 1 1 103 103 VAL HA H 103 2.768 2.768 2.366 0.402 25854 3824 1 9 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.552 -0.206 25854 3825 1 9 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.321 -0.330 25854 3826 1 9 . 1 1 103 103 VAL H H 103 8.552 8.552 8.660 -0.108 25854 3827 1 9 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.655 -0.041 25854 3828 1 9 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.586 0.789 25854 3829 1 9 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.564 3.616 25854 3830 1 9 . 1 1 104 104 LYS H H 104 6.924 6.924 7.600 -0.676 25854 3831 1 9 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.597 0.314 25854 3832 1 9 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.424 -0.707 25854 3833 1 9 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.306 0.971 25854 3834 1 9 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.341 0.567 25854 3835 1 9 . 1 1 106 106 GLU CA C 106 57.055 57.055 56.959 0.096 25854 3836 1 9 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.092 1.978 25854 3837 1 9 . 1 1 106 106 GLU H H 106 8.982 8.982 8.897 0.085 25854 3838 1 9 . 1 1 107 107 THR HA H 107 5.524 5.524 4.791 0.733 25854 3839 1 9 . 1 1 107 107 THR CA C 107 61.220 61.220 61.913 -0.693 25854 3840 1 9 . 1 1 107 107 THR CB C 107 71.849 71.849 69.074 2.775 25854 3841 1 9 . 1 1 107 107 THR H H 107 9.357 9.357 8.773 0.584 25854 3842 1 9 . 1 1 108 108 HIS HA H 108 6.061 6.061 4.832 1.229 25854 3843 1 9 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.983 -1.734 25854 3844 1 9 . 1 1 108 108 HIS CB C 108 35.180 35.180 30.907 4.273 25854 3845 1 9 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.698 -0.058 25854 3846 1 9 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.001 0.094 25854 3847 1 9 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.379 -0.353 25854 3848 1 9 . 1 1 109 109 ILE H H 109 8.818 8.818 8.051 0.767 25854 3849 1 9 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.014 0.220 25854 3850 1 9 . 1 1 110 110 ARG CA C 110 54.843 54.843 53.711 1.132 25854 3851 1 9 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.163 1.828 25854 3852 1 9 . 1 1 110 110 ARG H H 110 8.568 8.568 8.490 0.078 25854 3853 1 9 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.754 0.120 25854 3854 1 9 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.161 -1.192 25854 3855 1 9 . 1 1 111 111 VAL CB C 111 33.585 33.585 32.056 1.528 25854 3856 1 9 . 1 1 111 111 VAL H H 111 8.935 8.935 8.946 -0.011 25854 3857 1 9 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.589 -0.090 25854 3858 1 9 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.444 -0.098 25854 3859 1 9 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.465 0.526 25854 3860 1 9 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.045 -0.135 25854 3861 1 9 . 1 1 113 113 ALA CA C 113 55.906 55.906 54.652 1.254 25854 3862 1 9 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.791 -0.617 25854 3863 1 9 . 1 1 113 113 ALA H H 113 9.220 9.220 8.264 0.956 25854 3864 1 9 . 1 1 114 114 SER HA H 114 4.210 4.210 4.529 -0.319 25854 3865 1 9 . 1 1 114 114 SER CA C 114 60.157 60.157 59.660 0.497 25854 3866 1 9 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.135 0.350 25854 3867 1 9 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.336 -2.150 25854 3868 1 9 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.181 2.118 25854 3869 1 9 . 1 1 115 115 ALA H H 115 7.752 7.752 8.037 -0.285 25854 3870 1 9 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.015 -0.428 25854 3871 1 9 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.674 0.701 25854 3872 1 9 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.220 -0.045 25854 3873 1 9 . 1 1 116 116 ALA H H 116 7.429 7.429 7.827 -0.398 25854 3874 1 9 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.714 -0.374 25854 3875 1 9 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.389 -0.212 25854 3876 1 9 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.599 -0.202 25854 3877 1 9 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.758 -0.106 25854 3878 1 9 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.291 0.649 25854 3879 1 9 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.924 0.067 25854 3880 1 9 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.878 -0.051 25854 3881 1 9 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.267 1.164 25854 3882 1 9 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.831 -1.769 25854 3883 1 9 . 1 1 121 121 GLY H H 121 7.924 7.924 7.721 0.203 25854 3884 1 9 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.056 0.091 25854 3885 1 9 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.737 0.182 25854 3886 1 9 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.363 0.125 25854 3887 1 9 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.709 -1.334 25854 3888 1 9 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.546 -0.178 25854 3889 1 9 . 1 1 128 128 ASN H H 128 8.050 8.050 8.003 0.047 25854 3890 1 9 . 1 1 129 129 GLU H H 129 8.138 8.138 7.823 0.315 25854 3891 1 9 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.976 0.084 25854 3892 1 9 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.933 0.155 25854 3893 1 9 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.007 0.287 25854 3894 1 9 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.693 0.402 25854 3895 1 9 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.478 0.803 25854 3896 1 9 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.206 0.065 25854 3897 1 9 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.567 0.584 25854 3898 1 9 . 1 1 134 134 THR HA H 134 4.324 4.324 4.167 0.157 25854 3899 1 9 . 1 1 134 134 THR CA C 134 61.752 61.752 63.639 -1.887 25854 3900 1 9 . 1 1 134 134 THR CB C 134 70.047 70.047 70.130 -0.083 25854 3901 1 9 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.993 0.114 25854 3902 1 9 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.908 0.872 25854 3903 1 9 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.729 1.445 25854 3904 1 9 . 1 1 135 135 ALA H H 135 8.013 8.013 7.851 0.162 25854 3905 1 9 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.757 -0.218 25854 3906 1 9 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.278 0.845 25854 3907 1 9 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.539 -1.771 25854 3908 1 9 . 1 1 136 136 ALA H H 136 8.011 8.011 7.286 0.725 25854 3909 1 9 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.523 -0.092 25854 3910 1 9 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.779 5.463 25854 3911 1 9 . 1 1 137 137 GLU H H 137 8.439 8.439 8.758 -0.319 25854 3912 1 9 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.988 -0.106 25854 3913 1 9 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.011 0.208 25854 3914 1 9 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.863 0.722 25854 3915 1 9 . 1 1 138 138 VAL H H 138 8.280 8.280 8.390 -0.110 25854 3916 1 9 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.441 -0.220 25854 3917 1 9 . 1 1 139 139 VAL CA C 139 60.689 60.689 59.774 0.915 25854 3918 1 9 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.293 0.950 25854 3919 1 9 . 1 1 139 139 VAL H H 139 9.055 9.055 8.129 0.926 25854 3920 1 9 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.564 0.058 25854 3921 1 9 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.936 -0.373 25854 3922 1 9 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.791 -0.800 25854 3923 1 9 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.543 -0.314 25854 3924 1 9 . 1 1 141 141 PRO CA C 141 63.346 63.346 63.235 0.111 25854 3925 1 9 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.483 -1.023 25854 3926 1 9 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.319 -0.085 25854 3927 1 9 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.774 -0.337 25854 3928 1 9 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.459 0.469 25854 3929 1 9 . 1 1 142 142 ARG H H 142 8.499 8.499 8.405 0.094 25854 3930 1 9 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.833 -0.423 25854 3931 1 9 . 1 1 143 143 ASP CA C 143 54.312 54.312 53.902 0.410 25854 3932 1 9 . 1 1 143 143 ASP CB C 143 39.431 39.431 42.167 -2.736 25854 3933 1 9 . 1 1 143 143 ASP H H 143 8.691 8.691 8.220 0.471 25854 3934 1 9 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.695 -0.330 25854 3935 1 9 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.406 -1.350 25854 3936 1 9 . 1 1 144 144 GLN CB C 144 31.069 31.069 30.229 0.840 25854 3937 1 9 . 1 1 144 144 GLN H H 144 7.898 7.898 8.825 -0.927 25854 3938 1 9 . 1 1 145 145 THR HA H 145 4.619 4.619 4.804 -0.185 25854 3939 1 9 . 1 1 145 145 THR CA C 145 59.626 59.626 59.696 -0.070 25854 3940 1 9 . 1 1 145 145 THR CB C 145 70.255 70.255 69.901 0.354 25854 3941 1 9 . 1 1 145 145 THR H H 145 8.695 8.695 7.779 0.916 25854 3942 1 9 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.475 -0.135 25854 3943 1 9 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.412 0.403 25854 3944 1 9 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.412 0.137 25854 3945 1 9 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.913 -3.196 25854 3946 1 9 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.688 0.338 25854 3947 1 9 . 1 1 147 147 ASP H H 147 8.506 8.506 8.661 -0.155 25854 3948 1 9 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.127 0.043 25854 3949 1 9 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.176 0.387 25854 3950 1 9 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.536 -1.265 25854 3951 1 9 . 1 1 148 148 GLU H H 148 9.159 9.159 8.199 0.960 25854 3952 1 9 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.623 0.313 25854 3953 1 9 . 1 1 149 149 ASN CA C 149 52.717 52.717 53.622 -0.905 25854 3954 1 9 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.048 0.383 25854 3955 1 9 . 1 1 149 149 ASN H H 149 8.364 8.364 7.723 0.641 25854 3956 1 9 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.927 -0.156 25854 3957 1 9 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.793 -0.293 25854 3958 1 9 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.734 0.116 25854 3959 1 9 . 1 1 150 150 GLU H H 150 8.542 8.542 8.075 0.467 25854 3960 1 9 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.596 -0.575 25854 3961 1 9 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.381 0.462 25854 3962 1 9 . 1 1 151 151 GLN CB C 151 31.069 31.069 33.704 -2.635 25854 3963 1 9 . 1 1 151 151 GLN H H 151 8.441 8.441 7.738 0.703 25854 3964 1 9 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.791 -0.209 25854 3965 1 9 . 1 1 152 152 VAL CA C 152 58.563 58.563 59.107 -0.544 25854 3966 1 9 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.721 -1.604 25854 3967 1 9 . 1 1 152 152 VAL H H 152 8.999 8.999 8.967 0.032 25854 3968 1 9 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.392 -0.764 25854 3969 1 9 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.579 1.641 25854 3970 1 9 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.363 0.131 25854 3971 1 9 . 1 1 153 153 ILE H H 153 8.972 8.972 8.229 0.743 25854 3972 1 9 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.725 -0.491 25854 3973 1 9 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.306 2.446 25854 3974 1 9 . 1 1 154 154 VAL CB C 154 33.585 33.585 36.285 -2.700 25854 3975 1 9 . 1 1 154 154 VAL H H 154 8.557 8.557 8.088 0.469 25854 3976 1 9 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.776 0.378 25854 3977 1 9 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.254 0.589 25854 3978 1 9 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.474 1.174 25854 3979 1 9 . 1 1 155 155 LYS H H 155 8.951 8.951 7.870 1.081 25854 3980 1 9 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.097 -0.062 25854 3981 1 9 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.132 0.025 25854 3982 1 9 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.307 2.250 25854 3983 1 9 . 1 1 156 156 ILE H H 156 9.538 9.538 8.729 0.809 25854 3984 1 9 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.905 0.196 25854 3985 1 9 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.250 1.439 25854 3986 1 9 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.779 -0.285 25854 3987 1 9 . 1 1 157 157 ILE H H 157 9.468 9.468 8.393 1.075 25854 3988 1 9 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.265 0.544 25854 3989 1 9 . 1 1 158 158 GLY H H 158 8.236 8.236 7.854 0.382 25854 3990 1 9 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.176 0.369 25854 3991 1 9 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.715 0.660 25854 3992 1 9 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.484 -1.024 25854 3993 1 9 . 1 1 159 159 HIS H H 159 7.986 7.986 8.644 -0.658 25854 3994 1 9 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.022 0.164 25854 3995 1 9 . 1 1 160 160 PHE CA C 160 62.283 62.283 61.095 1.188 25854 3996 1 9 . 1 1 160 160 PHE CB C 160 38.368 38.368 38.133 0.235 25854 3997 1 9 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.600 -0.160 25854 3998 1 9 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.736 0.547 25854 3999 1 9 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.614 0.223 25854 4000 1 9 . 1 1 162 162 ALA HA H 162 4.052 4.052 3.956 0.096 25854 4001 1 9 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.754 0.089 25854 4002 1 9 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.172 0.533 25854 4003 1 9 . 1 1 162 162 ALA H H 162 7.458 7.458 8.464 -1.006 25854 4004 1 9 . 1 1 163 163 SER HA H 163 3.832 3.832 4.056 -0.224 25854 4005 1 9 . 1 1 163 163 SER CA C 163 60.050 60.050 61.630 -1.580 25854 4006 1 9 . 1 1 163 163 SER CB C 163 63.346 63.346 63.183 0.163 25854 4007 1 9 . 1 1 163 163 SER H H 163 8.403 8.403 8.475 -0.072 25854 4008 1 9 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.001 -0.391 25854 4009 1 9 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.364 0.199 25854 4010 1 9 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.015 -21.421 25854 4011 1 9 . 1 1 165 165 MET HA H 165 4.048 4.048 4.116 -0.068 25854 4012 1 9 . 1 1 165 165 MET CA C 165 58.563 58.563 58.295 0.268 25854 4013 1 9 . 1 1 165 165 MET CB C 165 31.991 31.991 32.658 -0.668 25854 4014 1 9 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.943 -0.025 25854 4015 1 9 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.349 -0.272 25854 4016 1 9 . 1 1 166 166 ALA H H 166 8.208 8.208 7.968 0.240 25854 4017 1 9 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.870 -0.242 25854 4018 1 9 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.438 0.720 25854 4019 1 9 . 1 1 167 167 GLN H H 167 8.393 8.393 8.274 0.119 25854 4020 1 9 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.048 -0.158 25854 4021 1 9 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.801 -5.765 25854 4022 1 9 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.807 0.058 25854 4023 1 9 . 1 1 168 168 ARG H H 168 8.220 8.220 8.022 0.198 25854 4024 1 9 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.159 -0.026 25854 4025 1 9 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.399 0.164 25854 4026 1 9 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.079 -0.088 25854 4027 1 9 . 1 1 169 169 LYS H H 169 8.042 8.042 7.552 0.490 25854 4028 1 9 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.786 -0.256 25854 4029 1 9 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.126 1.346 25854 4030 1 9 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.883 -1.109 25854 4031 1 9 . 1 1 170 170 ILE H H 170 8.190 8.190 8.071 0.119 25854 4032 1 9 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.021 -0.154 25854 4033 1 9 . 1 1 171 171 ARG CA C 171 60.051 60.051 57.821 2.230 25854 4034 1 9 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.048 0.286 25854 4035 1 9 . 1 1 171 171 ARG H H 171 7.984 7.984 8.042 -0.058 25854 4036 1 9 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.507 -0.078 25854 4037 1 9 . 1 1 172 172 ASP CA C 172 57.500 57.500 56.998 0.502 25854 4038 1 9 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.100 -0.606 25854 4039 1 9 . 1 1 172 172 ASP H H 172 7.993 7.993 7.726 0.267 25854 4040 1 9 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.940 -0.290 25854 4041 1 9 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.626 1.846 25854 4042 1 9 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.416 0.952 25854 4043 1 9 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.929 -0.034 25854 4044 1 9 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.812 -0.312 25854 4045 1 9 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.627 0.399 25854 4046 1 9 . 1 1 174 174 LEU H H 174 8.270 8.270 7.668 0.602 25854 4047 1 9 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.982 0.162 25854 4048 1 9 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.446 -1.390 25854 4049 1 9 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.097 0.608 25854 4050 1 9 . 1 1 175 175 ALA H H 175 7.960 7.960 7.585 0.375 25854 4051 1 9 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.037 0.056 25854 4052 1 9 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.758 -0.704 25854 4053 1 9 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.515 0.555 25854 4054 1 9 . 1 1 176 176 GLN H H 176 7.696 7.696 7.549 0.147 25854 4055 1 9 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.768 0.057 25854 4056 1 9 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.995 -1.944 25854 4057 1 9 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.713 1.355 25854 4058 1 9 . 1 1 177 177 VAL H H 177 7.850 7.850 7.890 -0.040 25854 4059 1 9 . 1 1 179 179 GLN H H 179 7.862 7.862 7.920 -0.058 25854 4060 1 10 . 1 1 22 22 GLN H H 22 8.152 8.152 7.881 0.271 25854 4061 1 10 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.516 0.060 25854 4062 1 10 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.637 -0.532 25854 4063 1 10 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.703 1.728 25854 4064 1 10 . 1 1 23 23 GLU H H 23 7.926 7.926 8.283 -0.357 25854 4065 1 10 . 1 1 24 24 THR HA H 24 5.298 5.298 5.425 -0.127 25854 4066 1 10 . 1 1 24 24 THR CA C 24 62.286 62.286 61.799 0.487 25854 4067 1 10 . 1 1 24 24 THR CB C 24 70.759 70.759 69.196 1.563 25854 4068 1 10 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.477 -0.042 25854 4069 1 10 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.899 -0.278 25854 4070 1 10 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.281 -0.258 25854 4071 1 10 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.639 -0.100 25854 4072 1 10 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.964 -1.822 25854 4073 1 10 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.125 0.592 25854 4074 1 10 . 1 1 27 27 VAL CA C 27 60.635 60.635 62.337 -1.702 25854 4075 1 10 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.227 2.011 25854 4076 1 10 . 1 1 27 27 VAL H H 27 9.339 9.339 8.915 0.424 25854 4077 1 10 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.630 0.281 25854 4078 1 10 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.820 0.905 25854 4079 1 10 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.897 -0.988 25854 4080 1 10 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.705 0.181 25854 4081 1 10 . 1 1 29 29 ILE CA C 29 57.114 57.114 57.029 0.084 25854 4082 1 10 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.188 -1.274 25854 4083 1 10 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.071 0.437 25854 4084 1 10 . 1 1 30 30 PRO CA C 30 62.909 62.909 63.360 -0.451 25854 4085 1 10 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.620 0.221 25854 4086 1 10 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.888 -0.295 25854 4087 1 10 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.762 0.734 25854 4088 1 10 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.844 -0.773 25854 4089 1 10 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.103 0.080 25854 4090 1 10 . 1 1 32 32 GLN CA C 32 57.341 57.341 58.766 -1.425 25854 4091 1 10 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.399 -0.532 25854 4092 1 10 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.427 -0.469 25854 4093 1 10 . 1 1 33 33 ALA CA C 33 51.416 51.416 54.070 -2.654 25854 4094 1 10 . 1 1 33 33 ALA CB C 33 19.084 19.084 19.453 -0.369 25854 4095 1 10 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.602 -0.716 25854 4096 1 10 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.085 2.257 25854 4097 1 10 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.777 -0.255 25854 4098 1 10 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.326 -0.427 25854 4099 1 10 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.323 -1.330 25854 4100 1 10 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.912 -0.674 25854 4101 1 10 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.413 -0.166 25854 4102 1 10 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.757 -0.306 25854 4103 1 10 . 1 1 37 37 ILE CA C 37 60.517 60.517 63.003 -2.486 25854 4104 1 10 . 1 1 37 37 ILE CB C 37 35.310 35.310 37.078 -1.768 25854 4105 1 10 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.806 0.083 25854 4106 1 10 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.698 0.883 25854 4107 1 10 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.344 0.496 25854 4108 1 10 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.491 2.661 25854 4109 1 10 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.921 0.659 25854 4110 1 10 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.656 -0.286 25854 4111 1 10 . 1 1 41 41 LYS CB C 41 32.800 32.800 33.312 -0.512 25854 4112 1 10 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.397 -0.055 25854 4113 1 10 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.876 -2.643 25854 4114 1 10 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.922 -0.034 25854 4115 1 10 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.171 0.467 25854 4116 1 10 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.849 -0.598 25854 4117 1 10 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.090 0.046 25854 4118 1 10 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.946 0.657 25854 4119 1 10 . 1 1 46 46 LYS CB C 46 32.470 32.470 32.023 0.447 25854 4120 1 10 . 1 1 47 47 GLN HA H 47 4.034 4.034 3.829 0.205 25854 4121 1 10 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.174 -0.132 25854 4122 1 10 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.898 0.188 25854 4123 1 10 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.250 1.121 25854 4124 1 10 . 1 1 49 49 SER HA H 49 4.183 4.183 4.172 0.011 25854 4125 1 10 . 1 1 49 49 SER CA C 49 61.932 61.932 62.016 -0.084 25854 4126 1 10 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.051 0.108 25854 4127 1 10 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.480 -0.049 25854 4128 1 10 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.895 0.257 25854 4129 1 10 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.237 0.085 25854 4130 1 10 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.217 -0.398 25854 4131 1 10 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.690 0.835 25854 4132 1 10 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.405 -0.642 25854 4133 1 10 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.257 0.121 25854 4134 1 10 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.596 -0.218 25854 4135 1 10 . 1 1 52 52 ALA H H 52 8.465 8.465 7.547 0.918 25854 4136 1 10 . 1 1 53 53 SER CB C 53 61.826 61.826 61.094 0.732 25854 4137 1 10 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.587 0.345 25854 4138 1 10 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.626 -1.493 25854 4139 1 10 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.856 1.542 25854 4140 1 10 . 1 1 55 55 SER HA H 55 4.766 4.766 4.682 0.084 25854 4141 1 10 . 1 1 55 55 SER CB C 55 63.541 63.541 63.111 0.430 25854 4142 1 10 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.638 0.354 25854 4143 1 10 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.470 -0.279 25854 4144 1 10 . 1 1 56 56 ILE CB C 56 40.511 40.511 39.038 1.473 25854 4145 1 10 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.707 0.047 25854 4146 1 10 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.476 0.179 25854 4147 1 10 . 1 1 57 57 LYS CB C 57 36.326 36.326 37.313 -0.987 25854 4148 1 10 . 1 1 57 57 LYS H H 57 8.732 8.732 8.783 -0.051 25854 4149 1 10 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.117 0.594 25854 4150 1 10 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.473 1.124 25854 4151 1 10 . 1 1 58 58 ILE CB C 58 37.464 37.464 37.427 0.037 25854 4152 1 10 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.747 -0.239 25854 4153 1 10 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.350 2.338 25854 4154 1 10 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.930 -0.571 25854 4155 1 10 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.214 -0.175 25854 4156 1 10 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.261 0.697 25854 4157 1 10 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.177 0.253 25854 4158 1 10 . 1 1 63 63 THR HA H 63 4.786 4.786 4.800 -0.014 25854 4159 1 10 . 1 1 63 63 THR CA C 63 58.498 58.498 58.800 -0.302 25854 4160 1 10 . 1 1 63 63 THR CB C 63 69.943 69.943 69.918 0.025 25854 4161 1 10 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.425 -0.136 25854 4162 1 10 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.616 1.117 25854 4163 1 10 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.762 -0.089 25854 4164 1 10 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.591 0.049 25854 4165 1 10 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.141 -0.282 25854 4166 1 10 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.067 0.393 25854 4167 1 10 . 1 1 65 65 ASP H H 65 7.985 7.985 7.974 0.011 25854 4168 1 10 . 1 1 66 66 SER CB C 66 63.942 63.942 64.047 -0.105 25854 4169 1 10 . 1 1 66 66 SER H H 66 7.515 7.515 7.581 -0.066 25854 4170 1 10 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.204 0.139 25854 4171 1 10 . 1 1 67 67 LYS CA C 67 57.242 57.242 58.089 -0.847 25854 4172 1 10 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.397 0.406 25854 4173 1 10 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.218 0.975 25854 4174 1 10 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.253 -0.281 25854 4175 1 10 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.013 2.203 25854 4176 1 10 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.506 0.186 25854 4177 1 10 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.688 -2.415 25854 4178 1 10 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.621 -0.860 25854 4179 1 10 . 1 1 70 70 MET HA H 70 3.798 3.798 5.434 -1.636 25854 4180 1 10 . 1 1 70 70 MET CA C 70 55.444 55.444 55.085 0.359 25854 4181 1 10 . 1 1 70 70 MET CB C 70 36.034 36.034 35.483 0.551 25854 4182 1 10 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.399 -0.087 25854 4183 1 10 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.187 -0.290 25854 4184 1 10 . 1 1 72 72 VAL HA H 72 4.662 4.662 3.976 0.686 25854 4185 1 10 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.582 0.184 25854 4186 1 10 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.237 -0.773 25854 4187 1 10 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.297 -0.364 25854 4188 1 10 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.659 2.131 25854 4189 1 10 . 1 1 73 73 ILE CB C 73 40.101 40.101 39.733 0.369 25854 4190 1 10 . 1 1 73 73 ILE H H 73 8.981 8.981 8.402 0.579 25854 4191 1 10 . 1 1 74 74 THR HA H 74 5.630 5.630 5.267 0.363 25854 4192 1 10 . 1 1 74 74 THR CA C 74 60.813 60.813 61.355 -0.542 25854 4193 1 10 . 1 1 74 74 THR CB C 74 70.966 70.966 70.124 0.842 25854 4194 1 10 . 1 1 74 74 THR H H 74 9.227 9.227 8.899 0.328 25854 4195 1 10 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.101 0.931 25854 4196 1 10 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.771 0.398 25854 4197 1 10 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.934 0.514 25854 4198 1 10 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.911 -0.344 25854 4199 1 10 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.258 -0.298 25854 4200 1 10 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.424 1.662 25854 4201 1 10 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.188 -0.053 25854 4202 1 10 . 1 1 78 78 GLU CA C 78 59.899 59.899 58.833 1.066 25854 4203 1 10 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.856 0.174 25854 4204 1 10 . 1 1 78 78 GLU H H 78 9.555 9.555 8.654 0.901 25854 4205 1 10 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.321 0.048 25854 4206 1 10 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.263 0.010 25854 4207 1 10 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.482 1.647 25854 4208 1 10 . 1 1 79 79 ALA H H 79 7.018 7.018 8.520 -1.502 25854 4209 1 10 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.054 -0.272 25854 4210 1 10 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.982 -0.841 25854 4211 1 10 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.206 -0.102 25854 4212 1 10 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.958 -0.549 25854 4213 1 10 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.997 0.533 25854 4214 1 10 . 1 1 81 81 PHE H H 81 8.005 8.005 7.843 0.162 25854 4215 1 10 . 1 1 82 82 LYS HA H 82 3.997 3.997 4.017 -0.020 25854 4216 1 10 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.148 0.863 25854 4217 1 10 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.139 -0.202 25854 4218 1 10 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.129 0.110 25854 4219 1 10 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.664 0.363 25854 4220 1 10 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.796 0.630 25854 4221 1 10 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.151 0.004 25854 4222 1 10 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.262 -0.209 25854 4223 1 10 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.779 0.394 25854 4224 1 10 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.789 -0.305 25854 4225 1 10 . 1 1 87 87 ILE CA C 87 65.702 65.702 64.025 1.677 25854 4226 1 10 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.645 -0.263 25854 4227 1 10 . 1 1 87 87 ILE H H 87 7.681 7.681 7.410 0.271 25854 4228 1 10 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.213 -0.415 25854 4229 1 10 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.622 1.365 25854 4230 1 10 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.788 0.316 25854 4231 1 10 . 1 1 88 88 TYR H H 88 8.021 8.021 8.752 -0.731 25854 4232 1 10 . 1 1 89 89 GLY H H 89 8.005 8.005 7.603 0.402 25854 4233 1 10 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.294 -0.117 25854 4234 1 10 . 1 1 90 90 LYS CA C 90 57.418 57.418 57.134 0.284 25854 4235 1 10 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.951 -0.561 25854 4236 1 10 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.332 -0.194 25854 4237 1 10 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.828 -0.023 25854 4238 1 10 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.065 -0.332 25854 4239 1 10 . 1 1 91 91 LEU H H 91 7.545 7.545 7.393 0.152 25854 4240 1 10 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.322 -0.006 25854 4241 1 10 . 1 1 92 92 LYS CA C 92 58.765 58.765 57.725 1.040 25854 4242 1 10 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.597 0.537 25854 4243 1 10 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.149 -0.064 25854 4244 1 10 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.502 0.436 25854 4245 1 10 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.254 0.005 25854 4246 1 10 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.352 0.042 25854 4247 1 10 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.126 0.409 25854 4248 1 10 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.406 0.102 25854 4249 1 10 . 1 1 95 95 ASN CA C 95 55.499 55.499 53.803 1.696 25854 4250 1 10 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.973 0.081 25854 4251 1 10 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.173 -0.016 25854 4252 1 10 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.451 1.179 25854 4253 1 10 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.003 -0.530 25854 4254 1 10 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.811 -0.260 25854 4255 1 10 . 1 1 97 97 PHE CA C 97 57.092 57.092 56.867 0.225 25854 4256 1 10 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.384 1.688 25854 4257 1 10 . 1 1 98 98 GLY CA C 98 44.746 44.746 45.019 -0.273 25854 4258 1 10 . 1 1 98 98 GLY H H 98 8.539 8.539 7.658 0.881 25854 4259 1 10 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.388 -0.010 25854 4260 1 10 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.922 0.018 25854 4261 1 10 . 1 1 99 99 PRO CB C 99 31.991 31.991 31.973 0.018 25854 4262 1 10 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.491 -0.132 25854 4263 1 10 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.644 0.262 25854 4264 1 10 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.141 -0.150 25854 4265 1 10 . 1 1 100 100 LYS H H 100 8.622 8.622 8.048 0.574 25854 4266 1 10 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.387 0.001 25854 4267 1 10 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.387 0.519 25854 4268 1 10 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.537 1.986 25854 4269 1 10 . 1 1 101 101 GLU H H 101 7.569 7.569 8.009 -0.440 25854 4270 1 10 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.310 -0.014 25854 4271 1 10 . 1 1 102 102 GLU CA C 102 55.375 55.375 57.027 -1.652 25854 4272 1 10 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.454 -0.057 25854 4273 1 10 . 1 1 102 102 GLU H H 102 8.440 8.440 8.683 -0.243 25854 4274 1 10 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.772 -1.004 25854 4275 1 10 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.014 0.332 25854 4276 1 10 . 1 1 103 103 VAL CB C 103 31.991 31.991 31.960 0.031 25854 4277 1 10 . 1 1 103 103 VAL H H 103 8.552 8.552 8.465 0.087 25854 4278 1 10 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.585 0.029 25854 4279 1 10 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.525 0.850 25854 4280 1 10 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.007 3.173 25854 4281 1 10 . 1 1 104 104 LYS H H 104 6.924 6.924 7.666 -0.742 25854 4282 1 10 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.575 0.336 25854 4283 1 10 . 1 1 105 105 LEU CA C 105 52.717 52.717 52.746 -0.029 25854 4284 1 10 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.568 -0.291 25854 4285 1 10 . 1 1 106 106 GLU HA H 106 4.908 4.908 5.174 -0.266 25854 4286 1 10 . 1 1 106 106 GLU CA C 106 57.055 57.055 54.997 2.058 25854 4287 1 10 . 1 1 106 106 GLU CB C 106 32.070 32.070 31.643 0.427 25854 4288 1 10 . 1 1 106 106 GLU H H 106 8.982 8.982 8.935 0.047 25854 4289 1 10 . 1 1 107 107 THR HA H 107 5.524 5.524 4.868 0.656 25854 4290 1 10 . 1 1 107 107 THR CA C 107 61.220 61.220 61.333 -0.113 25854 4291 1 10 . 1 1 107 107 THR CB C 107 71.849 71.849 70.882 0.967 25854 4292 1 10 . 1 1 107 107 THR H H 107 9.357 9.357 9.003 0.354 25854 4293 1 10 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.480 0.581 25854 4294 1 10 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.401 -1.152 25854 4295 1 10 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.942 3.238 25854 4296 1 10 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.698 -0.058 25854 4297 1 10 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.529 -0.433 25854 4298 1 10 . 1 1 109 109 ILE CB C 109 41.026 41.026 39.889 1.137 25854 4299 1 10 . 1 1 109 109 ILE H H 109 8.818 8.818 8.632 0.186 25854 4300 1 10 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.592 0.642 25854 4301 1 10 . 1 1 110 110 ARG CA C 110 54.843 54.843 55.380 -0.537 25854 4302 1 10 . 1 1 110 110 ARG CB C 110 31.991 31.991 29.409 2.582 25854 4303 1 10 . 1 1 110 110 ARG H H 110 8.568 8.568 8.794 -0.226 25854 4304 1 10 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.566 0.308 25854 4305 1 10 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.133 -1.164 25854 4306 1 10 . 1 1 111 111 VAL CB C 111 33.585 33.585 36.505 -2.920 25854 4307 1 10 . 1 1 111 111 VAL H H 111 8.935 8.935 8.577 0.358 25854 4308 1 10 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.428 0.071 25854 4309 1 10 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.257 0.089 25854 4310 1 10 . 1 1 112 112 PRO CB C 112 31.991 31.991 32.023 -0.032 25854 4311 1 10 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.981 -0.071 25854 4312 1 10 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.386 0.519 25854 4313 1 10 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.528 -0.354 25854 4314 1 10 . 1 1 113 113 ALA H H 113 9.220 9.220 8.044 1.176 25854 4315 1 10 . 1 1 114 114 SER HA H 114 4.210 4.210 4.258 -0.048 25854 4316 1 10 . 1 1 114 114 SER CA C 114 60.157 60.157 61.015 -0.858 25854 4317 1 10 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.067 0.418 25854 4318 1 10 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.389 -2.203 25854 4319 1 10 . 1 1 115 115 ALA CB C 115 20.299 20.299 17.952 2.347 25854 4320 1 10 . 1 1 115 115 ALA H H 115 7.752 7.752 7.508 0.244 25854 4321 1 10 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.128 -0.541 25854 4322 1 10 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.712 0.663 25854 4323 1 10 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.322 -0.148 25854 4324 1 10 . 1 1 116 116 ALA H H 116 7.429 7.429 7.787 -0.358 25854 4325 1 10 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.505 -0.166 25854 4326 1 10 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.260 -0.083 25854 4327 1 10 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.430 -0.033 25854 4328 1 10 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.713 -0.061 25854 4329 1 10 . 1 1 119 119 VAL CA C 119 64.940 64.940 64.683 0.257 25854 4330 1 10 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.294 -0.303 25854 4331 1 10 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.943 -0.116 25854 4332 1 10 . 1 1 120 120 ILE CB C 120 39.431 39.431 37.962 1.469 25854 4333 1 10 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.127 -2.064 25854 4334 1 10 . 1 1 121 121 GLY H H 121 7.924 7.924 7.677 0.247 25854 4335 1 10 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.597 -0.450 25854 4336 1 10 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.754 0.165 25854 4337 1 10 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.804 -0.316 25854 4338 1 10 . 1 1 128 128 ASN CA C 128 55.375 55.375 55.812 -0.437 25854 4339 1 10 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.283 0.085 25854 4340 1 10 . 1 1 128 128 ASN H H 128 8.050 8.050 7.519 0.531 25854 4341 1 10 . 1 1 129 129 GLU H H 129 8.138 8.138 8.402 -0.264 25854 4342 1 10 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.841 0.219 25854 4343 1 10 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.726 0.362 25854 4344 1 10 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.199 0.095 25854 4345 1 10 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.959 0.136 25854 4346 1 10 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.584 0.697 25854 4347 1 10 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.241 0.030 25854 4348 1 10 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.193 0.958 25854 4349 1 10 . 1 1 134 134 THR HA H 134 4.324 4.324 4.309 0.015 25854 4350 1 10 . 1 1 134 134 THR CA C 134 61.752 61.752 63.161 -1.409 25854 4351 1 10 . 1 1 134 134 THR CB C 134 70.047 70.047 70.576 -0.529 25854 4352 1 10 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.989 0.118 25854 4353 1 10 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.991 0.789 25854 4354 1 10 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.813 1.361 25854 4355 1 10 . 1 1 135 135 ALA H H 135 8.013 8.013 7.865 0.148 25854 4356 1 10 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.548 -0.009 25854 4357 1 10 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.367 0.756 25854 4358 1 10 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.624 -1.856 25854 4359 1 10 . 1 1 136 136 ALA H H 136 8.011 8.011 7.239 0.772 25854 4360 1 10 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.565 -0.134 25854 4361 1 10 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.345 5.899 25854 4362 1 10 . 1 1 137 137 GLU H H 137 8.439 8.439 8.475 -0.036 25854 4363 1 10 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.277 0.605 25854 4364 1 10 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.549 -0.329 25854 4365 1 10 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.222 1.363 25854 4366 1 10 . 1 1 138 138 VAL H H 138 8.280 8.280 8.413 -0.133 25854 4367 1 10 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.486 -0.265 25854 4368 1 10 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.223 0.466 25854 4369 1 10 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.089 1.154 25854 4370 1 10 . 1 1 139 139 VAL H H 139 9.055 9.055 8.668 0.387 25854 4371 1 10 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.628 -0.006 25854 4372 1 10 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.732 0.831 25854 4373 1 10 . 1 1 140 140 VAL CB C 140 31.991 31.991 34.792 -2.801 25854 4374 1 10 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.757 -0.528 25854 4375 1 10 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.996 0.350 25854 4376 1 10 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.440 -0.980 25854 4377 1 10 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.296 -0.062 25854 4378 1 10 . 1 1 142 142 ARG CA C 142 56.437 56.437 56.259 0.178 25854 4379 1 10 . 1 1 142 142 ARG CB C 142 30.928 30.928 29.895 1.033 25854 4380 1 10 . 1 1 142 142 ARG H H 142 8.499 8.499 8.719 -0.220 25854 4381 1 10 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.512 -0.102 25854 4382 1 10 . 1 1 143 143 ASP CA C 143 54.312 54.312 53.565 0.747 25854 4383 1 10 . 1 1 143 143 ASP CB C 143 39.431 39.431 41.369 -1.938 25854 4384 1 10 . 1 1 143 143 ASP H H 143 8.691 8.691 7.702 0.989 25854 4385 1 10 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.027 0.338 25854 4386 1 10 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.390 -1.334 25854 4387 1 10 . 1 1 144 144 GLN CB C 144 31.069 31.069 27.733 3.336 25854 4388 1 10 . 1 1 144 144 GLN H H 144 7.898 7.898 8.727 -0.829 25854 4389 1 10 . 1 1 145 145 THR HA H 145 4.619 4.619 4.030 0.589 25854 4390 1 10 . 1 1 145 145 THR CA C 145 59.626 59.626 62.419 -2.793 25854 4391 1 10 . 1 1 145 145 THR CB C 145 70.255 70.255 67.712 2.543 25854 4392 1 10 . 1 1 145 145 THR H H 145 8.695 8.695 8.435 0.260 25854 4393 1 10 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.580 -0.240 25854 4394 1 10 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.501 0.314 25854 4395 1 10 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.459 0.090 25854 4396 1 10 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.295 -2.578 25854 4397 1 10 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.628 0.398 25854 4398 1 10 . 1 1 147 147 ASP H H 147 8.506 8.506 8.506 0.000 25854 4399 1 10 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.016 0.154 25854 4400 1 10 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.826 -0.263 25854 4401 1 10 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.633 -1.362 25854 4402 1 10 . 1 1 148 148 GLU H H 148 9.159 9.159 8.145 1.014 25854 4403 1 10 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.691 0.245 25854 4404 1 10 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.398 0.319 25854 4405 1 10 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.934 0.497 25854 4406 1 10 . 1 1 149 149 ASN H H 149 8.364 8.364 7.646 0.718 25854 4407 1 10 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.886 -0.115 25854 4408 1 10 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.743 -0.243 25854 4409 1 10 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.309 0.541 25854 4410 1 10 . 1 1 150 150 GLU H H 150 8.542 8.542 8.299 0.243 25854 4411 1 10 . 1 1 151 151 GLN HA H 151 5.021 5.021 4.775 0.246 25854 4412 1 10 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.808 0.035 25854 4413 1 10 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.468 -1.399 25854 4414 1 10 . 1 1 151 151 GLN H H 151 8.441 8.441 7.763 0.678 25854 4415 1 10 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.664 -0.082 25854 4416 1 10 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.839 -0.276 25854 4417 1 10 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.099 -0.982 25854 4418 1 10 . 1 1 152 152 VAL H H 152 8.999 8.999 9.184 -0.185 25854 4419 1 10 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.742 -0.114 25854 4420 1 10 . 1 1 153 153 ILE CA C 153 61.220 61.220 60.046 1.174 25854 4421 1 10 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.946 -0.452 25854 4422 1 10 . 1 1 153 153 ILE H H 153 8.972 8.972 8.006 0.966 25854 4423 1 10 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.350 -0.116 25854 4424 1 10 . 1 1 154 154 VAL CA C 154 61.752 61.752 61.316 0.437 25854 4425 1 10 . 1 1 154 154 VAL CB C 154 33.585 33.585 33.016 0.569 25854 4426 1 10 . 1 1 154 154 VAL H H 154 8.557 8.557 8.662 -0.105 25854 4427 1 10 . 1 1 155 155 LYS HA H 155 5.154 5.154 5.079 0.075 25854 4428 1 10 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.560 0.283 25854 4429 1 10 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.894 0.754 25854 4430 1 10 . 1 1 155 155 LYS H H 155 8.951 8.951 8.872 0.079 25854 4431 1 10 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.450 -0.415 25854 4432 1 10 . 1 1 156 156 ILE CA C 156 60.157 60.157 59.845 0.312 25854 4433 1 10 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.984 1.573 25854 4434 1 10 . 1 1 156 156 ILE H H 156 9.538 9.538 8.802 0.736 25854 4435 1 10 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.885 0.216 25854 4436 1 10 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.291 1.398 25854 4437 1 10 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.220 0.274 25854 4438 1 10 . 1 1 157 157 ILE H H 157 9.468 9.468 8.067 1.401 25854 4439 1 10 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.137 0.672 25854 4440 1 10 . 1 1 158 158 GLY H H 158 8.236 8.236 7.728 0.508 25854 4441 1 10 . 1 1 159 159 HIS HA H 159 5.545 5.545 4.957 0.588 25854 4442 1 10 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.478 0.896 25854 4443 1 10 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.159 0.301 25854 4444 1 10 . 1 1 159 159 HIS H H 159 7.986 7.986 8.044 -0.058 25854 4445 1 10 . 1 1 160 160 PHE HA H 160 3.186 3.186 2.960 0.226 25854 4446 1 10 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.931 1.353 25854 4447 1 10 . 1 1 160 160 PHE CB C 160 38.368 38.368 36.573 1.795 25854 4448 1 10 . 1 1 161 161 TYR HA H 161 3.440 3.440 3.955 -0.515 25854 4449 1 10 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.061 1.222 25854 4450 1 10 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.456 1.381 25854 4451 1 10 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.167 -0.115 25854 4452 1 10 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.610 0.233 25854 4453 1 10 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.172 0.533 25854 4454 1 10 . 1 1 162 162 ALA H H 162 7.458 7.458 8.315 -0.857 25854 4455 1 10 . 1 1 163 163 SER HA H 163 3.832 3.832 3.954 -0.122 25854 4456 1 10 . 1 1 163 163 SER CA C 163 60.050 60.050 62.127 -2.077 25854 4457 1 10 . 1 1 163 163 SER CB C 163 63.346 63.346 62.999 0.346 25854 4458 1 10 . 1 1 163 163 SER H H 163 8.403 8.403 8.309 0.094 25854 4459 1 10 . 1 1 164 164 GLN HA H 164 3.610 3.610 3.981 -0.371 25854 4460 1 10 . 1 1 164 164 GLN CA C 164 58.563 58.563 59.059 -0.497 25854 4461 1 10 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.629 -22.035 25854 4462 1 10 . 1 1 165 165 MET HA H 165 4.048 4.048 4.236 -0.188 25854 4463 1 10 . 1 1 165 165 MET CA C 165 58.563 58.563 58.732 -0.169 25854 4464 1 10 . 1 1 165 165 MET CB C 165 31.991 31.991 32.768 -0.777 25854 4465 1 10 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.978 -0.060 25854 4466 1 10 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.229 -0.153 25854 4467 1 10 . 1 1 166 166 ALA H H 166 8.208 8.208 8.499 -0.291 25854 4468 1 10 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.907 -0.279 25854 4469 1 10 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.759 0.398 25854 4470 1 10 . 1 1 167 167 GLN H H 167 8.393 8.393 8.721 -0.328 25854 4471 1 10 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.437 -0.547 25854 4472 1 10 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.274 -5.238 25854 4473 1 10 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.903 -0.038 25854 4474 1 10 . 1 1 168 168 ARG H H 168 8.220 8.220 7.978 0.242 25854 4475 1 10 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.145 -0.012 25854 4476 1 10 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.596 -0.033 25854 4477 1 10 . 1 1 169 169 LYS CB C 169 31.991 31.991 31.950 0.041 25854 4478 1 10 . 1 1 169 169 LYS H H 169 8.042 8.042 7.444 0.598 25854 4479 1 10 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.785 -0.255 25854 4480 1 10 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.193 1.279 25854 4481 1 10 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.798 -1.024 25854 4482 1 10 . 1 1 170 170 ILE H H 170 8.190 8.190 8.574 -0.384 25854 4483 1 10 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.065 -0.198 25854 4484 1 10 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.407 1.644 25854 4485 1 10 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.592 -0.258 25854 4486 1 10 . 1 1 171 171 ARG H H 171 7.984 7.984 8.091 -0.107 25854 4487 1 10 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.586 -0.157 25854 4488 1 10 . 1 1 172 172 ASP CA C 172 57.500 57.500 56.920 0.580 25854 4489 1 10 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.544 -1.050 25854 4490 1 10 . 1 1 172 172 ASP H H 172 7.993 7.993 7.766 0.227 25854 4491 1 10 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.931 -0.281 25854 4492 1 10 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.880 1.592 25854 4493 1 10 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.480 0.888 25854 4494 1 10 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.912 -0.017 25854 4495 1 10 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.068 0.432 25854 4496 1 10 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.724 0.302 25854 4497 1 10 . 1 1 174 174 LEU H H 174 8.270 8.270 7.735 0.535 25854 4498 1 10 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.890 0.254 25854 4499 1 10 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.088 -1.032 25854 4500 1 10 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.258 0.448 25854 4501 1 10 . 1 1 175 175 ALA H H 175 7.960 7.960 8.024 -0.064 25854 4502 1 10 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.080 0.013 25854 4503 1 10 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.567 -0.513 25854 4504 1 10 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.576 0.494 25854 4505 1 10 . 1 1 176 176 GLN H H 176 7.696 7.696 7.728 -0.032 25854 4506 1 10 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.712 0.113 25854 4507 1 10 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.485 -1.434 25854 4508 1 10 . 1 1 177 177 VAL CB C 177 32.068 32.068 30.985 1.083 25854 4509 1 10 . 1 1 177 177 VAL H H 177 7.850 7.850 7.720 0.130 25854 4510 1 10 . 1 1 179 179 GLN H H 179 7.862 7.862 8.120 -0.258 25854 4511 1 11 . 1 1 22 22 GLN H H 22 8.152 8.152 8.191 -0.039 25854 4512 1 11 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.349 0.227 25854 4513 1 11 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.953 -0.848 25854 4514 1 11 . 1 1 23 23 GLU CB C 23 32.431 32.431 29.976 2.455 25854 4515 1 11 . 1 1 23 23 GLU H H 23 7.926 7.926 8.473 -0.547 25854 4516 1 11 . 1 1 24 24 THR HA H 24 5.298 5.298 5.156 0.142 25854 4517 1 11 . 1 1 24 24 THR CA C 24 62.286 62.286 62.345 -0.059 25854 4518 1 11 . 1 1 24 24 THR CB C 24 70.759 70.759 68.936 1.823 25854 4519 1 11 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.787 -0.352 25854 4520 1 11 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.166 0.455 25854 4521 1 11 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.864 0.159 25854 4522 1 11 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.636 -0.097 25854 4523 1 11 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.952 -1.810 25854 4524 1 11 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.279 0.438 25854 4525 1 11 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.556 -0.921 25854 4526 1 11 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.716 1.522 25854 4527 1 11 . 1 1 27 27 VAL H H 27 9.339 9.339 8.779 0.560 25854 4528 1 11 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.715 0.196 25854 4529 1 11 . 1 1 28 28 PHE CA C 28 57.725 57.725 56.725 1.000 25854 4530 1 11 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.969 -1.060 25854 4531 1 11 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.746 0.140 25854 4532 1 11 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.869 0.245 25854 4533 1 11 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.050 -1.135 25854 4534 1 11 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.401 0.107 25854 4535 1 11 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.557 0.352 25854 4536 1 11 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.904 -0.063 25854 4537 1 11 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.875 -0.282 25854 4538 1 11 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.960 0.536 25854 4539 1 11 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.591 -0.520 25854 4540 1 11 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.157 0.026 25854 4541 1 11 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.615 -0.274 25854 4542 1 11 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.208 -0.341 25854 4543 1 11 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.680 -0.722 25854 4544 1 11 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.722 -1.306 25854 4545 1 11 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.558 -1.474 25854 4546 1 11 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.520 -0.634 25854 4547 1 11 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.664 1.678 25854 4548 1 11 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.790 -0.268 25854 4549 1 11 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.254 -0.355 25854 4550 1 11 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.436 -1.443 25854 4551 1 11 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.739 -0.501 25854 4552 1 11 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.385 -0.138 25854 4553 1 11 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.755 -0.304 25854 4554 1 11 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.829 -2.312 25854 4555 1 11 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.920 -1.611 25854 4556 1 11 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.759 0.130 25854 4557 1 11 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.940 0.641 25854 4558 1 11 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.475 0.365 25854 4559 1 11 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.548 2.604 25854 4560 1 11 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.858 0.722 25854 4561 1 11 . 1 1 40 40 LYS CA C 40 58.370 58.370 56.787 1.583 25854 4562 1 11 . 1 1 41 41 LYS CB C 41 32.800 32.800 31.104 1.696 25854 4563 1 11 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.694 -0.352 25854 4564 1 11 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.187 -2.954 25854 4565 1 11 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.906 -0.018 25854 4566 1 11 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.223 1.415 25854 4567 1 11 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.417 -0.167 25854 4568 1 11 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.167 -0.031 25854 4569 1 11 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.414 1.189 25854 4570 1 11 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.987 0.483 25854 4571 1 11 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.119 -0.085 25854 4572 1 11 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.307 -0.265 25854 4573 1 11 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.888 0.197 25854 4574 1 11 . 1 1 48 48 LEU CB C 48 42.371 42.371 42.011 0.360 25854 4575 1 11 . 1 1 49 49 SER HA H 49 4.183 4.183 3.929 0.254 25854 4576 1 11 . 1 1 49 49 SER CA C 49 61.932 61.932 61.635 0.297 25854 4577 1 11 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.129 0.030 25854 4578 1 11 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.048 0.383 25854 4579 1 11 . 1 1 50 50 ARG CB C 50 30.152 30.152 29.643 0.509 25854 4580 1 11 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.481 -0.159 25854 4581 1 11 . 1 1 51 51 PHE CA C 51 59.819 59.819 59.509 0.310 25854 4582 1 11 . 1 1 51 51 PHE CB C 51 39.525 39.525 37.906 1.619 25854 4583 1 11 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.277 -0.514 25854 4584 1 11 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.306 1.072 25854 4585 1 11 . 1 1 52 52 ALA CB C 52 19.378 19.378 18.623 0.755 25854 4586 1 11 . 1 1 52 52 ALA H H 52 8.465 8.465 7.024 1.441 25854 4587 1 11 . 1 1 53 53 SER CB C 53 61.826 61.826 61.592 0.234 25854 4588 1 11 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.528 0.404 25854 4589 1 11 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.644 -1.511 25854 4590 1 11 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.658 1.740 25854 4591 1 11 . 1 1 55 55 SER HA H 55 4.766 4.766 4.685 0.081 25854 4592 1 11 . 1 1 55 55 SER CB C 55 63.541 63.541 62.931 0.610 25854 4593 1 11 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.541 0.451 25854 4594 1 11 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.460 -0.269 25854 4595 1 11 . 1 1 56 56 ILE CB C 56 40.511 40.511 40.016 0.495 25854 4596 1 11 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.664 0.090 25854 4597 1 11 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.800 -0.145 25854 4598 1 11 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.038 0.288 25854 4599 1 11 . 1 1 57 57 LYS H H 57 8.732 8.732 9.040 -0.308 25854 4600 1 11 . 1 1 58 58 ILE HA H 58 4.711 4.711 3.967 0.744 25854 4601 1 11 . 1 1 58 58 ILE CA C 58 60.597 60.597 60.354 0.243 25854 4602 1 11 . 1 1 58 58 ILE CB C 58 37.464 37.464 36.433 1.031 25854 4603 1 11 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.485 0.023 25854 4604 1 11 . 1 1 59 59 ALA CA C 59 51.688 51.688 50.102 1.586 25854 4605 1 11 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.416 -0.057 25854 4606 1 11 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.270 -0.231 25854 4607 1 11 . 1 1 62 62 GLU CA C 62 58.958 58.958 57.640 1.318 25854 4608 1 11 . 1 1 62 62 GLU CB C 62 30.430 30.430 30.329 0.101 25854 4609 1 11 . 1 1 63 63 THR HA H 63 4.786 4.786 4.848 -0.062 25854 4610 1 11 . 1 1 63 63 THR CA C 63 58.498 58.498 58.300 0.198 25854 4611 1 11 . 1 1 63 63 THR CB C 63 69.943 69.943 70.359 -0.416 25854 4612 1 11 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.375 -0.086 25854 4613 1 11 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.845 0.888 25854 4614 1 11 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.506 0.167 25854 4615 1 11 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.596 0.044 25854 4616 1 11 . 1 1 65 65 ASP CA C 65 52.859 52.859 52.629 0.230 25854 4617 1 11 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.538 -0.078 25854 4618 1 11 . 1 1 65 65 ASP H H 65 7.985 7.985 7.784 0.201 25854 4619 1 11 . 1 1 66 66 SER CB C 66 63.942 63.942 63.674 0.268 25854 4620 1 11 . 1 1 66 66 SER H H 66 7.515 7.515 7.646 -0.131 25854 4621 1 11 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.178 0.165 25854 4622 1 11 . 1 1 67 67 LYS CA C 67 57.242 57.242 57.810 -0.568 25854 4623 1 11 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.847 -0.044 25854 4624 1 11 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.280 0.912 25854 4625 1 11 . 1 1 68 68 VAL CA C 68 58.972 58.972 60.054 -1.082 25854 4626 1 11 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.208 2.008 25854 4627 1 11 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.632 0.060 25854 4628 1 11 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.226 -1.953 25854 4629 1 11 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.134 -0.373 25854 4630 1 11 . 1 1 70 70 MET HA H 70 3.798 3.798 5.485 -1.687 25854 4631 1 11 . 1 1 70 70 MET CA C 70 55.444 55.444 55.036 0.408 25854 4632 1 11 . 1 1 70 70 MET CB C 70 36.034 36.034 34.152 1.882 25854 4633 1 11 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.446 -0.134 25854 4634 1 11 . 1 1 71 71 VAL CA C 71 60.897 60.897 60.319 0.578 25854 4635 1 11 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.179 0.483 25854 4636 1 11 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.336 0.430 25854 4637 1 11 . 1 1 72 72 VAL CB C 72 31.464 31.464 31.945 -0.481 25854 4638 1 11 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.297 -0.364 25854 4639 1 11 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.739 2.051 25854 4640 1 11 . 1 1 73 73 ILE CB C 73 40.101 40.101 41.608 -1.507 25854 4641 1 11 . 1 1 73 73 ILE H H 73 8.981 8.981 8.360 0.621 25854 4642 1 11 . 1 1 74 74 THR HA H 74 5.630 5.630 5.121 0.509 25854 4643 1 11 . 1 1 74 74 THR CA C 74 60.813 60.813 61.138 -0.325 25854 4644 1 11 . 1 1 74 74 THR CB C 74 70.966 70.966 70.104 0.862 25854 4645 1 11 . 1 1 74 74 THR H H 74 9.227 9.227 8.474 0.753 25854 4646 1 11 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.148 0.884 25854 4647 1 11 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.835 0.334 25854 4648 1 11 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.377 1.071 25854 4649 1 11 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.974 -0.407 25854 4650 1 11 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.321 -0.361 25854 4651 1 11 . 1 1 77 77 PRO CA C 77 67.086 67.086 65.883 1.202 25854 4652 1 11 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.202 -0.067 25854 4653 1 11 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.710 0.189 25854 4654 1 11 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.000 0.030 25854 4655 1 11 . 1 1 78 78 GLU H H 78 9.555 9.555 8.587 0.968 25854 4656 1 11 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.224 0.145 25854 4657 1 11 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.676 -0.403 25854 4658 1 11 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.124 2.005 25854 4659 1 11 . 1 1 79 79 ALA H H 79 7.018 7.018 7.968 -0.950 25854 4660 1 11 . 1 1 80 80 GLN HA H 80 3.782 3.782 3.998 -0.216 25854 4661 1 11 . 1 1 80 80 GLN CA C 80 58.141 58.141 59.263 -1.122 25854 4662 1 11 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.419 -0.315 25854 4663 1 11 . 1 1 81 81 PHE CA C 81 61.409 61.409 60.919 0.490 25854 4664 1 11 . 1 1 81 81 PHE CB C 81 39.530 39.530 38.978 0.552 25854 4665 1 11 . 1 1 81 81 PHE H H 81 8.005 8.005 8.656 -0.651 25854 4666 1 11 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.804 0.193 25854 4667 1 11 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.336 0.675 25854 4668 1 11 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.175 -0.238 25854 4669 1 11 . 1 1 83 83 ALA CA C 83 55.239 55.239 54.830 0.409 25854 4670 1 11 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.368 0.659 25854 4671 1 11 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.379 1.047 25854 4672 1 11 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.187 -0.032 25854 4673 1 11 . 1 1 86 86 ARG CA C 86 57.053 57.053 56.832 0.221 25854 4674 1 11 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.595 0.578 25854 4675 1 11 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.801 -0.317 25854 4676 1 11 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.474 2.228 25854 4677 1 11 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.563 -0.181 25854 4678 1 11 . 1 1 87 87 ILE H H 87 7.681 7.681 7.649 0.032 25854 4679 1 11 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.208 -0.410 25854 4680 1 11 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.179 1.808 25854 4681 1 11 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.498 0.606 25854 4682 1 11 . 1 1 88 88 TYR H H 88 8.021 8.021 8.493 -0.472 25854 4683 1 11 . 1 1 89 89 GLY H H 89 8.005 8.005 7.780 0.225 25854 4684 1 11 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.143 0.034 25854 4685 1 11 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.447 -1.029 25854 4686 1 11 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.797 -0.407 25854 4687 1 11 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.278 -0.140 25854 4688 1 11 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.124 -0.319 25854 4689 1 11 . 1 1 91 91 LEU CB C 91 40.733 40.733 40.936 -0.203 25854 4690 1 11 . 1 1 91 91 LEU H H 91 7.545 7.545 7.599 -0.054 25854 4691 1 11 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.376 -0.060 25854 4692 1 11 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.382 0.383 25854 4693 1 11 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.924 0.210 25854 4694 1 11 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.165 -0.080 25854 4695 1 11 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.622 0.317 25854 4696 1 11 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.357 -0.098 25854 4697 1 11 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.580 -0.186 25854 4698 1 11 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.592 -0.057 25854 4699 1 11 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.469 0.039 25854 4700 1 11 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.354 1.145 25854 4701 1 11 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.958 0.096 25854 4702 1 11 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.318 -0.161 25854 4703 1 11 . 1 1 96 96 PHE CA C 96 61.630 61.630 59.716 1.914 25854 4704 1 11 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.020 -0.547 25854 4705 1 11 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.675 -0.124 25854 4706 1 11 . 1 1 97 97 PHE CA C 97 57.092 57.092 59.059 -1.967 25854 4707 1 11 . 1 1 97 97 PHE CB C 97 41.072 41.072 40.928 0.144 25854 4708 1 11 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.571 0.175 25854 4709 1 11 . 1 1 98 98 GLY H H 98 8.539 8.539 7.633 0.906 25854 4710 1 11 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.370 0.008 25854 4711 1 11 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.883 0.057 25854 4712 1 11 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.148 -0.157 25854 4713 1 11 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.438 -0.079 25854 4714 1 11 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.673 0.233 25854 4715 1 11 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.308 -0.317 25854 4716 1 11 . 1 1 100 100 LYS H H 100 8.622 8.622 8.119 0.503 25854 4717 1 11 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.352 0.036 25854 4718 1 11 . 1 1 101 101 GLU CA C 101 55.906 55.906 56.046 -0.140 25854 4719 1 11 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.338 2.184 25854 4720 1 11 . 1 1 101 101 GLU H H 101 7.569 7.569 7.893 -0.324 25854 4721 1 11 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.268 0.028 25854 4722 1 11 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.938 -1.563 25854 4723 1 11 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.701 -0.305 25854 4724 1 11 . 1 1 102 102 GLU H H 102 8.440 8.440 8.650 -0.210 25854 4725 1 11 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.841 -1.073 25854 4726 1 11 . 1 1 103 103 VAL CA C 103 63.346 63.346 62.235 1.111 25854 4727 1 11 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.749 -0.758 25854 4728 1 11 . 1 1 103 103 VAL H H 103 8.552 8.552 8.614 -0.062 25854 4729 1 11 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.777 -0.163 25854 4730 1 11 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.575 0.800 25854 4731 1 11 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.918 3.262 25854 4732 1 11 . 1 1 104 104 LYS H H 104 6.924 6.924 7.836 -0.912 25854 4733 1 11 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.762 0.149 25854 4734 1 11 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.087 -0.370 25854 4735 1 11 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.259 0.018 25854 4736 1 11 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.950 -0.042 25854 4737 1 11 . 1 1 106 106 GLU CA C 106 57.055 57.055 57.237 -0.182 25854 4738 1 11 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.141 1.929 25854 4739 1 11 . 1 1 106 106 GLU H H 106 8.982 8.982 8.904 0.078 25854 4740 1 11 . 1 1 107 107 THR HA H 107 5.524 5.524 4.866 0.658 25854 4741 1 11 . 1 1 107 107 THR CA C 107 61.220 61.220 61.720 -0.500 25854 4742 1 11 . 1 1 107 107 THR CB C 107 71.849 71.849 70.635 1.214 25854 4743 1 11 . 1 1 107 107 THR H H 107 9.357 9.357 9.086 0.271 25854 4744 1 11 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.527 0.534 25854 4745 1 11 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.606 -1.357 25854 4746 1 11 . 1 1 108 108 HIS CB C 108 35.180 35.180 32.226 2.954 25854 4747 1 11 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.734 -0.094 25854 4748 1 11 . 1 1 109 109 ILE CA C 109 59.095 59.095 58.861 0.234 25854 4749 1 11 . 1 1 109 109 ILE CB C 109 41.026 41.026 41.768 -0.742 25854 4750 1 11 . 1 1 109 109 ILE H H 109 8.818 8.818 8.137 0.681 25854 4751 1 11 . 1 1 110 110 ARG HA H 110 5.234 5.234 5.012 0.222 25854 4752 1 11 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.525 0.318 25854 4753 1 11 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.060 1.931 25854 4754 1 11 . 1 1 110 110 ARG H H 110 8.568 8.568 8.519 0.049 25854 4755 1 11 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.785 0.089 25854 4756 1 11 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.817 -0.848 25854 4757 1 11 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.502 -0.917 25854 4758 1 11 . 1 1 111 111 VAL H H 111 8.935 8.935 9.057 -0.122 25854 4759 1 11 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.505 -0.006 25854 4760 1 11 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.153 0.193 25854 4761 1 11 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.712 0.279 25854 4762 1 11 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.960 -0.050 25854 4763 1 11 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.770 0.136 25854 4764 1 11 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.702 -0.528 25854 4765 1 11 . 1 1 113 113 ALA H H 113 9.220 9.220 8.700 0.520 25854 4766 1 11 . 1 1 114 114 SER HA H 114 4.210 4.210 4.200 0.010 25854 4767 1 11 . 1 1 114 114 SER CA C 114 60.157 60.157 60.637 -0.480 25854 4768 1 11 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.067 0.418 25854 4769 1 11 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.352 -2.166 25854 4770 1 11 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.111 2.188 25854 4771 1 11 . 1 1 115 115 ALA H H 115 7.752 7.752 7.303 0.449 25854 4772 1 11 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.087 -0.500 25854 4773 1 11 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.842 0.533 25854 4774 1 11 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.287 -0.113 25854 4775 1 11 . 1 1 116 116 ALA H H 116 7.429 7.429 7.945 -0.516 25854 4776 1 11 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.451 -0.111 25854 4777 1 11 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.137 0.040 25854 4778 1 11 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.356 0.041 25854 4779 1 11 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.723 -0.071 25854 4780 1 11 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.055 -0.115 25854 4781 1 11 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.165 -0.174 25854 4782 1 11 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.822 0.005 25854 4783 1 11 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.406 1.025 25854 4784 1 11 . 1 1 121 121 GLY CA C 121 43.062 43.062 45.340 -2.279 25854 4785 1 11 . 1 1 121 121 GLY H H 121 7.924 7.924 7.892 0.032 25854 4786 1 11 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.615 -0.468 25854 4787 1 11 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.682 0.237 25854 4788 1 11 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.338 0.150 25854 4789 1 11 . 1 1 128 128 ASN CA C 128 55.375 55.375 55.985 -0.610 25854 4790 1 11 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.004 0.364 25854 4791 1 11 . 1 1 128 128 ASN H H 128 8.050 8.050 8.389 -0.339 25854 4792 1 11 . 1 1 129 129 GLU H H 129 8.138 8.138 7.834 0.304 25854 4793 1 11 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.928 0.132 25854 4794 1 11 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.854 0.234 25854 4795 1 11 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.005 0.289 25854 4796 1 11 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.766 0.329 25854 4797 1 11 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.494 0.787 25854 4798 1 11 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.152 0.119 25854 4799 1 11 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.535 0.616 25854 4800 1 11 . 1 1 134 134 THR HA H 134 4.324 4.324 4.199 0.125 25854 4801 1 11 . 1 1 134 134 THR CA C 134 61.752 61.752 63.340 -1.588 25854 4802 1 11 . 1 1 134 134 THR CB C 134 70.047 70.047 70.642 -0.595 25854 4803 1 11 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.022 0.085 25854 4804 1 11 . 1 1 135 135 ALA CA C 135 53.780 53.780 52.783 0.997 25854 4805 1 11 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.898 1.276 25854 4806 1 11 . 1 1 135 135 ALA H H 135 8.013 8.013 7.761 0.252 25854 4807 1 11 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.584 -0.045 25854 4808 1 11 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.367 0.756 25854 4809 1 11 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.610 -1.842 25854 4810 1 11 . 1 1 136 136 ALA H H 136 8.011 8.011 7.385 0.626 25854 4811 1 11 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.511 -0.080 25854 4812 1 11 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.299 5.944 25854 4813 1 11 . 1 1 137 137 GLU H H 137 8.439 8.439 8.353 0.086 25854 4814 1 11 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.130 0.752 25854 4815 1 11 . 1 1 138 138 VAL CA C 138 61.220 61.220 62.044 -0.824 25854 4816 1 11 . 1 1 138 138 VAL CB C 138 33.585 33.585 31.890 1.695 25854 4817 1 11 . 1 1 138 138 VAL H H 138 8.280 8.280 8.471 -0.191 25854 4818 1 11 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.292 -0.071 25854 4819 1 11 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.841 -0.152 25854 4820 1 11 . 1 1 139 139 VAL CB C 139 36.243 36.243 32.640 3.603 25854 4821 1 11 . 1 1 139 139 VAL H H 139 9.055 9.055 8.844 0.211 25854 4822 1 11 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.393 0.229 25854 4823 1 11 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.963 -0.400 25854 4824 1 11 . 1 1 140 140 VAL CB C 140 31.991 31.991 32.661 -0.670 25854 4825 1 11 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.593 -0.364 25854 4826 1 11 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.157 1.189 25854 4827 1 11 . 1 1 141 141 PRO CB C 141 31.460 31.460 33.048 -1.588 25854 4828 1 11 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.263 -0.029 25854 4829 1 11 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.189 -0.752 25854 4830 1 11 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.224 0.705 25854 4831 1 11 . 1 1 142 142 ARG H H 142 8.499 8.499 8.645 -0.145 25854 4832 1 11 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.389 0.021 25854 4833 1 11 . 1 1 143 143 ASP CA C 143 54.312 54.312 56.065 -1.753 25854 4834 1 11 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.049 -0.618 25854 4835 1 11 . 1 1 143 143 ASP H H 143 8.691 8.691 8.233 0.458 25854 4836 1 11 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.417 -0.052 25854 4837 1 11 . 1 1 144 144 GLN CA C 144 55.056 55.056 55.470 -0.414 25854 4838 1 11 . 1 1 144 144 GLN CB C 144 31.069 31.069 28.314 2.755 25854 4839 1 11 . 1 1 144 144 GLN H H 144 7.898 7.898 7.932 -0.034 25854 4840 1 11 . 1 1 145 145 THR HA H 145 4.619 4.619 4.714 -0.095 25854 4841 1 11 . 1 1 145 145 THR CA C 145 59.626 59.626 59.657 -0.031 25854 4842 1 11 . 1 1 145 145 THR CB C 145 70.255 70.255 68.481 1.774 25854 4843 1 11 . 1 1 145 145 THR H H 145 8.695 8.695 7.895 0.800 25854 4844 1 11 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.705 -0.365 25854 4845 1 11 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.639 0.176 25854 4846 1 11 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.367 0.182 25854 4847 1 11 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.698 -2.981 25854 4848 1 11 . 1 1 147 147 ASP CB C 147 41.026 41.026 41.123 -0.097 25854 4849 1 11 . 1 1 147 147 ASP H H 147 8.506 8.506 8.843 -0.337 25854 4850 1 11 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.091 0.079 25854 4851 1 11 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.909 -0.346 25854 4852 1 11 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.502 -1.231 25854 4853 1 11 . 1 1 148 148 GLU H H 148 9.159 9.159 8.740 0.419 25854 4854 1 11 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.856 0.080 25854 4855 1 11 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.858 -0.141 25854 4856 1 11 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.680 -0.249 25854 4857 1 11 . 1 1 149 149 ASN H H 149 8.364 8.364 7.670 0.694 25854 4858 1 11 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.898 -0.127 25854 4859 1 11 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.734 -0.234 25854 4860 1 11 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.500 0.350 25854 4861 1 11 . 1 1 150 150 GLU H H 150 8.542 8.542 7.585 0.957 25854 4862 1 11 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.047 -0.026 25854 4863 1 11 . 1 1 151 151 GLN CA C 151 54.843 54.843 55.222 -0.379 25854 4864 1 11 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.612 -1.544 25854 4865 1 11 . 1 1 151 151 GLN H H 151 8.441 8.441 7.524 0.917 25854 4866 1 11 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.819 -0.237 25854 4867 1 11 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.907 -0.344 25854 4868 1 11 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.819 -1.702 25854 4869 1 11 . 1 1 152 152 VAL H H 152 8.999 8.999 9.216 -0.217 25854 4870 1 11 . 1 1 153 153 ILE HA H 153 4.628 4.628 5.000 -0.372 25854 4871 1 11 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.699 1.521 25854 4872 1 11 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.675 -0.181 25854 4873 1 11 . 1 1 153 153 ILE H H 153 8.972 8.972 8.233 0.739 25854 4874 1 11 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.675 -0.441 25854 4875 1 11 . 1 1 154 154 VAL CA C 154 61.752 61.752 59.641 2.111 25854 4876 1 11 . 1 1 154 154 VAL CB C 154 33.585 33.585 35.349 -1.764 25854 4877 1 11 . 1 1 154 154 VAL H H 154 8.557 8.557 8.454 0.103 25854 4878 1 11 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.717 0.437 25854 4879 1 11 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.474 0.369 25854 4880 1 11 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.016 1.632 25854 4881 1 11 . 1 1 155 155 LYS H H 155 8.951 8.951 8.693 0.258 25854 4882 1 11 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.276 -0.241 25854 4883 1 11 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.057 0.100 25854 4884 1 11 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.695 1.862 25854 4885 1 11 . 1 1 156 156 ILE H H 156 9.538 9.538 8.929 0.609 25854 4886 1 11 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.501 0.600 25854 4887 1 11 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.704 0.985 25854 4888 1 11 . 1 1 157 157 ILE CB C 157 40.494 40.494 40.749 -0.255 25854 4889 1 11 . 1 1 157 157 ILE H H 157 9.468 9.468 8.103 1.365 25854 4890 1 11 . 1 1 158 158 GLY CA C 158 45.809 45.809 44.928 0.881 25854 4891 1 11 . 1 1 158 158 GLY H H 158 8.236 8.236 8.240 -0.004 25854 4892 1 11 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.229 0.316 25854 4893 1 11 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.672 0.703 25854 4894 1 11 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.334 0.126 25854 4895 1 11 . 1 1 159 159 HIS H H 159 7.986 7.986 8.112 -0.126 25854 4896 1 11 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.819 -0.633 25854 4897 1 11 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.221 2.062 25854 4898 1 11 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.144 1.224 25854 4899 1 11 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.116 -0.676 25854 4900 1 11 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.990 0.292 25854 4901 1 11 . 1 1 161 161 TYR CB C 161 37.837 37.837 37.302 0.535 25854 4902 1 11 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.276 -0.224 25854 4903 1 11 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.349 0.493 25854 4904 1 11 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.075 0.630 25854 4905 1 11 . 1 1 162 162 ALA H H 162 7.458 7.458 8.176 -0.718 25854 4906 1 11 . 1 1 163 163 SER HA H 163 3.832 3.832 3.990 -0.158 25854 4907 1 11 . 1 1 163 163 SER CA C 163 60.050 60.050 62.147 -2.097 25854 4908 1 11 . 1 1 163 163 SER CB C 163 63.346 63.346 62.903 0.443 25854 4909 1 11 . 1 1 163 163 SER H H 163 8.403 8.403 8.100 0.303 25854 4910 1 11 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.133 -0.523 25854 4911 1 11 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.691 -0.128 25854 4912 1 11 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.502 -21.908 25854 4913 1 11 . 1 1 165 165 MET HA H 165 4.048 4.048 4.079 -0.031 25854 4914 1 11 . 1 1 165 165 MET CA C 165 58.563 58.563 58.864 -0.301 25854 4915 1 11 . 1 1 165 165 MET CB C 165 31.991 31.991 32.511 -0.520 25854 4916 1 11 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.949 -0.031 25854 4917 1 11 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.210 -0.134 25854 4918 1 11 . 1 1 166 166 ALA H H 166 8.208 8.208 8.558 -0.350 25854 4919 1 11 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.921 -0.293 25854 4920 1 11 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.665 0.492 25854 4921 1 11 . 1 1 167 167 GLN H H 167 8.393 8.393 8.542 -0.149 25854 4922 1 11 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.068 -0.178 25854 4923 1 11 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.925 -5.889 25854 4924 1 11 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.872 -0.007 25854 4925 1 11 . 1 1 168 168 ARG H H 168 8.220 8.220 8.108 0.112 25854 4926 1 11 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.170 -0.037 25854 4927 1 11 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.509 0.054 25854 4928 1 11 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.160 -0.169 25854 4929 1 11 . 1 1 169 169 LYS H H 169 8.042 8.042 7.456 0.586 25854 4930 1 11 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.758 -0.228 25854 4931 1 11 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.278 1.194 25854 4932 1 11 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.893 -1.119 25854 4933 1 11 . 1 1 170 170 ILE H H 170 8.190 8.190 8.560 -0.370 25854 4934 1 11 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.034 -0.167 25854 4935 1 11 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.486 1.565 25854 4936 1 11 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.160 0.174 25854 4937 1 11 . 1 1 171 171 ARG H H 171 7.984 7.984 8.114 -0.130 25854 4938 1 11 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.506 -0.077 25854 4939 1 11 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.171 0.329 25854 4940 1 11 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.324 -0.830 25854 4941 1 11 . 1 1 172 172 ASP H H 172 7.993 7.993 7.569 0.424 25854 4942 1 11 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.850 -0.200 25854 4943 1 11 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.061 1.411 25854 4944 1 11 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.594 0.774 25854 4945 1 11 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.944 -0.049 25854 4946 1 11 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.787 -0.287 25854 4947 1 11 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.662 0.364 25854 4948 1 11 . 1 1 174 174 LEU H H 174 8.270 8.270 7.792 0.478 25854 4949 1 11 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.955 0.189 25854 4950 1 11 . 1 1 175 175 ALA CA C 175 54.056 54.056 54.950 -0.894 25854 4951 1 11 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.063 0.642 25854 4952 1 11 . 1 1 175 175 ALA H H 175 7.960 7.960 7.669 0.291 25854 4953 1 11 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.022 0.071 25854 4954 1 11 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.635 -0.581 25854 4955 1 11 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.749 0.321 25854 4956 1 11 . 1 1 176 176 GLN H H 176 7.696 7.696 7.592 0.104 25854 4957 1 11 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.700 0.125 25854 4958 1 11 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.102 -2.051 25854 4959 1 11 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.618 0.450 25854 4960 1 11 . 1 1 177 177 VAL H H 177 7.850 7.850 8.149 -0.299 25854 4961 1 11 . 1 1 179 179 GLN H H 179 7.862 7.862 8.000 -0.138 25854 4962 1 12 . 1 1 22 22 GLN H H 22 8.152 8.152 7.736 0.416 25854 4963 1 12 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.386 0.190 25854 4964 1 12 . 1 1 23 23 GLU CA C 23 55.105 55.105 56.176 -1.071 25854 4965 1 12 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.910 1.521 25854 4966 1 12 . 1 1 23 23 GLU H H 23 7.926 7.926 8.665 -0.739 25854 4967 1 12 . 1 1 24 24 THR HA H 24 5.298 5.298 5.489 -0.191 25854 4968 1 12 . 1 1 24 24 THR CA C 24 62.286 62.286 61.177 1.109 25854 4969 1 12 . 1 1 24 24 THR CB C 24 70.759 70.759 70.433 0.326 25854 4970 1 12 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.739 -0.304 25854 4971 1 12 . 1 1 25 25 VAL CA C 25 60.621 60.621 59.746 0.875 25854 4972 1 12 . 1 1 25 25 VAL CB C 25 35.023 35.023 34.833 0.190 25854 4973 1 12 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.446 0.093 25854 4974 1 12 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.989 -1.847 25854 4975 1 12 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.213 0.504 25854 4976 1 12 . 1 1 27 27 VAL CA C 27 60.635 60.635 62.101 -1.466 25854 4977 1 12 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.065 2.173 25854 4978 1 12 . 1 1 27 27 VAL H H 27 9.339 9.339 9.029 0.310 25854 4979 1 12 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.548 0.363 25854 4980 1 12 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.071 0.654 25854 4981 1 12 . 1 1 28 28 PHE CB C 28 38.909 38.909 40.279 -1.371 25854 4982 1 12 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.712 0.174 25854 4983 1 12 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.737 0.377 25854 4984 1 12 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.543 -1.628 25854 4985 1 12 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.239 0.269 25854 4986 1 12 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.781 0.128 25854 4987 1 12 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.857 -0.016 25854 4988 1 12 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.879 -0.286 25854 4989 1 12 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.818 0.678 25854 4990 1 12 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.658 -0.587 25854 4991 1 12 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.116 0.067 25854 4992 1 12 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.857 -0.516 25854 4993 1 12 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.414 -0.547 25854 4994 1 12 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.587 -0.629 25854 4995 1 12 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.696 -1.280 25854 4996 1 12 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.276 -1.192 25854 4997 1 12 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.549 -0.663 25854 4998 1 12 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.440 1.902 25854 4999 1 12 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.763 -0.241 25854 5000 1 12 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.214 -0.315 25854 5001 1 12 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.359 -1.366 25854 5002 1 12 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.885 -0.647 25854 5003 1 12 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.346 -0.100 25854 5004 1 12 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.759 -0.308 25854 5005 1 12 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.746 -2.229 25854 5006 1 12 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.641 -1.331 25854 5007 1 12 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.694 0.195 25854 5008 1 12 . 1 1 38 38 ILE CA C 38 64.581 64.581 65.004 -0.423 25854 5009 1 12 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.508 0.333 25854 5010 1 12 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.423 2.728 25854 5011 1 12 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.738 0.842 25854 5012 1 12 . 1 1 40 40 LYS CA C 40 58.370 58.370 58.774 -0.404 25854 5013 1 12 . 1 1 41 41 LYS CB C 41 32.800 32.800 33.688 -0.888 25854 5014 1 12 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.571 -0.229 25854 5015 1 12 . 1 1 44 44 HIS CB C 44 27.233 27.233 30.075 -2.842 25854 5016 1 12 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.907 -0.019 25854 5017 1 12 . 1 1 45 45 ILE CA C 45 64.638 64.638 63.449 1.189 25854 5018 1 12 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.486 -0.236 25854 5019 1 12 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.176 -0.040 25854 5020 1 12 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.649 0.954 25854 5021 1 12 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.969 0.501 25854 5022 1 12 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.080 -0.046 25854 5023 1 12 . 1 1 48 48 LEU HA H 48 4.042 4.042 4.210 -0.168 25854 5024 1 12 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.849 0.236 25854 5025 1 12 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.851 0.520 25854 5026 1 12 . 1 1 49 49 SER HA H 49 4.183 4.183 4.205 -0.022 25854 5027 1 12 . 1 1 49 49 SER CA C 49 61.932 61.932 61.506 0.426 25854 5028 1 12 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.096 0.063 25854 5029 1 12 . 1 1 50 50 ARG CA C 50 58.431 58.431 59.115 -0.684 25854 5030 1 12 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.279 -0.127 25854 5031 1 12 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.171 0.151 25854 5032 1 12 . 1 1 51 51 PHE CA C 51 59.819 59.819 60.708 -0.889 25854 5033 1 12 . 1 1 51 51 PHE CB C 51 39.525 39.525 39.005 0.520 25854 5034 1 12 . 1 1 52 52 ALA HA H 52 3.763 3.763 3.892 -0.129 25854 5035 1 12 . 1 1 52 52 ALA CA C 52 52.378 52.378 51.533 0.845 25854 5036 1 12 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.455 -0.077 25854 5037 1 12 . 1 1 52 52 ALA H H 52 8.465 8.465 8.204 0.261 25854 5038 1 12 . 1 1 53 53 SER CB C 53 61.826 61.826 60.591 1.235 25854 5039 1 12 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.587 0.345 25854 5040 1 12 . 1 1 54 54 ALA CA C 54 49.133 49.133 51.048 -1.915 25854 5041 1 12 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.990 1.408 25854 5042 1 12 . 1 1 55 55 SER HA H 55 4.766 4.766 4.718 0.048 25854 5043 1 12 . 1 1 55 55 SER CB C 55 63.541 63.541 63.072 0.469 25854 5044 1 12 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.366 0.626 25854 5045 1 12 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.681 -0.490 25854 5046 1 12 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.920 1.591 25854 5047 1 12 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.765 -0.011 25854 5048 1 12 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.175 0.480 25854 5049 1 12 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.565 -0.239 25854 5050 1 12 . 1 1 57 57 LYS H H 57 8.732 8.732 8.739 -0.007 25854 5051 1 12 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.345 0.366 25854 5052 1 12 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.166 1.431 25854 5053 1 12 . 1 1 58 58 ILE CB C 58 37.464 37.464 36.224 1.240 25854 5054 1 12 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.720 -0.212 25854 5055 1 12 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.158 2.530 25854 5056 1 12 . 1 1 59 59 ALA CB C 59 18.359 18.359 19.277 -0.918 25854 5057 1 12 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.098 -0.059 25854 5058 1 12 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.117 0.841 25854 5059 1 12 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.732 0.698 25854 5060 1 12 . 1 1 63 63 THR HA H 63 4.786 4.786 4.769 0.017 25854 5061 1 12 . 1 1 63 63 THR CA C 63 58.498 58.498 58.631 -0.133 25854 5062 1 12 . 1 1 63 63 THR CB C 63 69.943 69.943 70.113 -0.170 25854 5063 1 12 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.369 -0.080 25854 5064 1 12 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.803 0.930 25854 5065 1 12 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.944 -0.271 25854 5066 1 12 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.621 0.019 25854 5067 1 12 . 1 1 65 65 ASP CA C 65 52.859 52.859 54.587 -1.728 25854 5068 1 12 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.723 -0.263 25854 5069 1 12 . 1 1 65 65 ASP H H 65 7.985 7.985 8.091 -0.106 25854 5070 1 12 . 1 1 66 66 SER CB C 66 63.942 63.942 64.207 -0.265 25854 5071 1 12 . 1 1 66 66 SER H H 66 7.515 7.515 7.572 -0.057 25854 5072 1 12 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.278 0.065 25854 5073 1 12 . 1 1 67 67 LYS CA C 67 57.242 57.242 56.050 1.192 25854 5074 1 12 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.385 0.418 25854 5075 1 12 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.014 1.179 25854 5076 1 12 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.423 -0.452 25854 5077 1 12 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.466 1.750 25854 5078 1 12 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.501 0.191 25854 5079 1 12 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.499 -2.226 25854 5080 1 12 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.748 -0.987 25854 5081 1 12 . 1 1 70 70 MET HA H 70 3.798 3.798 5.493 -1.695 25854 5082 1 12 . 1 1 70 70 MET CA C 70 55.444 55.444 54.508 0.936 25854 5083 1 12 . 1 1 70 70 MET CB C 70 36.034 36.034 35.599 0.435 25854 5084 1 12 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.483 -0.171 25854 5085 1 12 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.572 -0.675 25854 5086 1 12 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.978 -0.316 25854 5087 1 12 . 1 1 72 72 VAL CA C 72 61.766 61.766 59.504 2.262 25854 5088 1 12 . 1 1 72 72 VAL CB C 72 31.464 31.464 33.688 -2.224 25854 5089 1 12 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.596 -0.663 25854 5090 1 12 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.335 2.455 25854 5091 1 12 . 1 1 73 73 ILE CB C 73 40.101 40.101 41.805 -1.704 25854 5092 1 12 . 1 1 73 73 ILE H H 73 8.981 8.981 8.319 0.662 25854 5093 1 12 . 1 1 74 74 THR HA H 74 5.630 5.630 5.491 0.139 25854 5094 1 12 . 1 1 74 74 THR CA C 74 60.813 60.813 61.208 -0.395 25854 5095 1 12 . 1 1 74 74 THR CB C 74 70.966 70.966 70.194 0.772 25854 5096 1 12 . 1 1 74 74 THR H H 74 9.227 9.227 8.680 0.547 25854 5097 1 12 . 1 1 75 75 GLY CA C 75 45.032 45.032 44.168 0.864 25854 5098 1 12 . 1 1 76 76 PRO HA H 76 5.169 5.169 5.032 0.137 25854 5099 1 12 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.217 1.231 25854 5100 1 12 . 1 1 76 76 PRO CB C 76 30.567 30.567 30.841 -0.274 25854 5101 1 12 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.027 -0.067 25854 5102 1 12 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.388 0.698 25854 5103 1 12 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.050 0.085 25854 5104 1 12 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.357 0.542 25854 5105 1 12 . 1 1 78 78 GLU CB C 78 29.030 29.030 28.645 0.385 25854 5106 1 12 . 1 1 78 78 GLU H H 78 9.555 9.555 8.876 0.679 25854 5107 1 12 . 1 1 79 79 ALA HA H 79 4.369 4.369 3.983 0.386 25854 5108 1 12 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.813 -0.540 25854 5109 1 12 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.505 1.624 25854 5110 1 12 . 1 1 79 79 ALA H H 79 7.018 7.018 7.956 -0.938 25854 5111 1 12 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.101 -0.319 25854 5112 1 12 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.459 -0.318 25854 5113 1 12 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.243 -0.139 25854 5114 1 12 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.773 -0.364 25854 5115 1 12 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.226 0.304 25854 5116 1 12 . 1 1 81 81 PHE H H 81 8.005 8.005 8.112 -0.107 25854 5117 1 12 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.905 0.092 25854 5118 1 12 . 1 1 82 82 LYS CA C 82 60.011 60.011 58.841 1.170 25854 5119 1 12 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.150 -0.213 25854 5120 1 12 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.180 0.059 25854 5121 1 12 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.020 1.007 25854 5122 1 12 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.456 0.970 25854 5123 1 12 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.221 -0.066 25854 5124 1 12 . 1 1 86 86 ARG CA C 86 57.053 57.053 56.847 0.206 25854 5125 1 12 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.505 0.668 25854 5126 1 12 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.797 -0.313 25854 5127 1 12 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.833 1.869 25854 5128 1 12 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.670 -0.288 25854 5129 1 12 . 1 1 87 87 ILE H H 87 7.681 7.681 7.772 -0.091 25854 5130 1 12 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.263 -0.465 25854 5131 1 12 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.514 1.472 25854 5132 1 12 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.474 0.630 25854 5133 1 12 . 1 1 88 88 TYR H H 88 8.021 8.021 8.306 -0.285 25854 5134 1 12 . 1 1 89 89 GLY H H 89 8.005 8.005 7.911 0.094 25854 5135 1 12 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.226 -0.049 25854 5136 1 12 . 1 1 90 90 LYS CA C 90 57.418 57.418 57.705 -0.287 25854 5137 1 12 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.875 -0.485 25854 5138 1 12 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.397 -0.259 25854 5139 1 12 . 1 1 91 91 LEU CA C 91 57.805 57.805 57.840 -0.035 25854 5140 1 12 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.333 -0.600 25854 5141 1 12 . 1 1 91 91 LEU H H 91 7.545 7.545 7.569 -0.024 25854 5142 1 12 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.093 0.223 25854 5143 1 12 . 1 1 92 92 LYS CA C 92 58.765 58.765 59.436 -0.671 25854 5144 1 12 . 1 1 92 92 LYS CB C 92 32.134 32.134 32.325 -0.191 25854 5145 1 12 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.141 -0.056 25854 5146 1 12 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.717 0.221 25854 5147 1 12 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.215 0.044 25854 5148 1 12 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.453 -0.058 25854 5149 1 12 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.677 -0.142 25854 5150 1 12 . 1 1 95 95 ASN HA H 95 4.508 4.508 3.887 0.621 25854 5151 1 12 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.174 1.325 25854 5152 1 12 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.345 0.709 25854 5153 1 12 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.199 -0.042 25854 5154 1 12 . 1 1 96 96 PHE CA C 96 61.630 61.630 61.078 0.552 25854 5155 1 12 . 1 1 96 96 PHE CB C 96 38.473 38.473 38.929 -0.456 25854 5156 1 12 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.670 -0.119 25854 5157 1 12 . 1 1 97 97 PHE CA C 97 57.092 57.092 58.028 -0.936 25854 5158 1 12 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.365 1.707 25854 5159 1 12 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.161 0.585 25854 5160 1 12 . 1 1 98 98 GLY H H 98 8.539 8.539 7.046 1.493 25854 5161 1 12 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.380 -0.002 25854 5162 1 12 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.243 0.697 25854 5163 1 12 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.130 -0.139 25854 5164 1 12 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.436 -0.077 25854 5165 1 12 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.410 0.496 25854 5166 1 12 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.149 -0.158 25854 5167 1 12 . 1 1 100 100 LYS H H 100 8.622 8.622 8.180 0.442 25854 5168 1 12 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.515 -0.127 25854 5169 1 12 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.527 0.379 25854 5170 1 12 . 1 1 101 101 GLU CB C 101 32.523 32.523 31.311 1.212 25854 5171 1 12 . 1 1 101 101 GLU H H 101 7.569 7.569 7.632 -0.063 25854 5172 1 12 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.256 0.040 25854 5173 1 12 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.398 -1.023 25854 5174 1 12 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.411 -0.014 25854 5175 1 12 . 1 1 102 102 GLU H H 102 8.440 8.440 8.642 -0.202 25854 5176 1 12 . 1 1 103 103 VAL HA H 103 2.768 2.768 2.415 0.353 25854 5177 1 12 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.035 0.312 25854 5178 1 12 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.010 -0.018 25854 5179 1 12 . 1 1 103 103 VAL H H 103 8.552 8.552 8.391 0.161 25854 5180 1 12 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.845 -0.231 25854 5181 1 12 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.402 0.973 25854 5182 1 12 . 1 1 104 104 LYS CB C 104 35.180 35.180 31.822 3.358 25854 5183 1 12 . 1 1 104 104 LYS H H 104 6.924 6.924 7.415 -0.491 25854 5184 1 12 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.751 0.160 25854 5185 1 12 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.014 -0.297 25854 5186 1 12 . 1 1 105 105 LEU CB C 105 45.277 45.277 45.151 0.126 25854 5187 1 12 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.639 0.269 25854 5188 1 12 . 1 1 106 106 GLU CA C 106 57.055 57.055 57.531 -0.476 25854 5189 1 12 . 1 1 106 106 GLU CB C 106 32.070 32.070 29.823 2.247 25854 5190 1 12 . 1 1 106 106 GLU H H 106 8.982 8.982 8.936 0.046 25854 5191 1 12 . 1 1 107 107 THR HA H 107 5.524 5.524 4.796 0.728 25854 5192 1 12 . 1 1 107 107 THR CA C 107 61.220 61.220 61.618 -0.398 25854 5193 1 12 . 1 1 107 107 THR CB C 107 71.849 71.849 71.130 0.719 25854 5194 1 12 . 1 1 107 107 THR H H 107 9.357 9.357 9.163 0.194 25854 5195 1 12 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.546 0.515 25854 5196 1 12 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.355 -1.106 25854 5197 1 12 . 1 1 108 108 HIS CB C 108 35.180 35.180 32.516 2.664 25854 5198 1 12 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.726 -0.086 25854 5199 1 12 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.089 0.006 25854 5200 1 12 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.596 0.430 25854 5201 1 12 . 1 1 109 109 ILE H H 109 8.818 8.818 8.020 0.798 25854 5202 1 12 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.385 0.849 25854 5203 1 12 . 1 1 110 110 ARG CA C 110 54.843 54.843 56.408 -1.565 25854 5204 1 12 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.911 1.080 25854 5205 1 12 . 1 1 110 110 ARG H H 110 8.568 8.568 8.762 -0.194 25854 5206 1 12 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.626 0.248 25854 5207 1 12 . 1 1 111 111 VAL CA C 111 56.969 56.969 58.334 -1.365 25854 5208 1 12 . 1 1 111 111 VAL CB C 111 33.585 33.585 36.444 -2.859 25854 5209 1 12 . 1 1 111 111 VAL H H 111 8.935 8.935 8.692 0.243 25854 5210 1 12 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.428 0.071 25854 5211 1 12 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.007 0.339 25854 5212 1 12 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.817 0.174 25854 5213 1 12 . 1 1 113 113 ALA HA H 113 3.910 3.910 4.022 -0.112 25854 5214 1 12 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.493 0.413 25854 5215 1 12 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.657 -0.483 25854 5216 1 12 . 1 1 113 113 ALA H H 113 9.220 9.220 8.916 0.304 25854 5217 1 12 . 1 1 114 114 SER HA H 114 4.210 4.210 4.260 -0.050 25854 5218 1 12 . 1 1 114 114 SER CA C 114 60.157 60.157 60.812 -0.655 25854 5219 1 12 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.208 0.277 25854 5220 1 12 . 1 1 115 115 ALA CA C 115 52.186 52.186 53.247 -1.061 25854 5221 1 12 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.171 2.128 25854 5222 1 12 . 1 1 115 115 ALA H H 115 7.752 7.752 7.710 0.042 25854 5223 1 12 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.058 -0.471 25854 5224 1 12 . 1 1 116 116 ALA CA C 116 55.375 55.375 55.321 0.054 25854 5225 1 12 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.272 -0.098 25854 5226 1 12 . 1 1 116 116 ALA H H 116 7.429 7.429 7.872 -0.443 25854 5227 1 12 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.752 -0.412 25854 5228 1 12 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.101 0.076 25854 5229 1 12 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.353 0.044 25854 5230 1 12 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.703 -0.051 25854 5231 1 12 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.253 -0.313 25854 5232 1 12 . 1 1 119 119 VAL CB C 119 31.991 31.991 31.950 0.041 25854 5233 1 12 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.823 0.004 25854 5234 1 12 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.301 1.130 25854 5235 1 12 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.816 -1.754 25854 5236 1 12 . 1 1 121 121 GLY H H 121 7.924 7.924 7.851 0.073 25854 5237 1 12 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.026 0.121 25854 5238 1 12 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.632 0.287 25854 5239 1 12 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.361 0.127 25854 5240 1 12 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.682 -1.307 25854 5241 1 12 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.156 0.212 25854 5242 1 12 . 1 1 128 128 ASN H H 128 8.050 8.050 7.830 0.220 25854 5243 1 12 . 1 1 129 129 GLU H H 129 8.138 8.138 7.473 0.665 25854 5244 1 12 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.848 0.212 25854 5245 1 12 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.658 0.430 25854 5246 1 12 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.016 0.278 25854 5247 1 12 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.696 0.399 25854 5248 1 12 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.525 0.756 25854 5249 1 12 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.424 -0.153 25854 5250 1 12 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.554 0.597 25854 5251 1 12 . 1 1 134 134 THR HA H 134 4.324 4.324 4.158 0.166 25854 5252 1 12 . 1 1 134 134 THR CA C 134 61.752 61.752 63.723 -1.971 25854 5253 1 12 . 1 1 134 134 THR CB C 134 70.047 70.047 69.698 0.349 25854 5254 1 12 . 1 1 135 135 ALA HA H 135 4.107 4.107 4.011 0.096 25854 5255 1 12 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.050 0.730 25854 5256 1 12 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.657 1.517 25854 5257 1 12 . 1 1 135 135 ALA H H 135 8.013 8.013 7.720 0.293 25854 5258 1 12 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.555 -0.016 25854 5259 1 12 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.541 0.582 25854 5260 1 12 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.285 -1.518 25854 5261 1 12 . 1 1 136 136 ALA H H 136 8.011 8.011 7.371 0.640 25854 5262 1 12 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.572 -0.141 25854 5263 1 12 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.660 5.583 25854 5264 1 12 . 1 1 137 137 GLU H H 137 8.439 8.439 8.190 0.249 25854 5265 1 12 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.229 0.653 25854 5266 1 12 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.378 -0.158 25854 5267 1 12 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.702 0.883 25854 5268 1 12 . 1 1 138 138 VAL H H 138 8.280 8.280 8.541 -0.261 25854 5269 1 12 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.447 -0.226 25854 5270 1 12 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.784 -0.095 25854 5271 1 12 . 1 1 139 139 VAL CB C 139 36.243 36.243 35.333 0.910 25854 5272 1 12 . 1 1 139 139 VAL H H 139 9.055 9.055 8.438 0.617 25854 5273 1 12 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.593 0.029 25854 5274 1 12 . 1 1 140 140 VAL CA C 140 58.563 58.563 57.513 1.050 25854 5275 1 12 . 1 1 140 140 VAL CB C 140 31.991 31.991 34.519 -2.528 25854 5276 1 12 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.766 -0.537 25854 5277 1 12 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.072 1.274 25854 5278 1 12 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.934 -1.474 25854 5279 1 12 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.088 0.146 25854 5280 1 12 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.831 -1.394 25854 5281 1 12 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.012 0.915 25854 5282 1 12 . 1 1 142 142 ARG H H 142 8.499 8.499 8.713 -0.214 25854 5283 1 12 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.595 -0.185 25854 5284 1 12 . 1 1 143 143 ASP CA C 143 54.312 54.312 53.730 0.582 25854 5285 1 12 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.229 -0.798 25854 5286 1 12 . 1 1 143 143 ASP H H 143 8.691 8.691 8.284 0.407 25854 5287 1 12 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.115 0.250 25854 5288 1 12 . 1 1 144 144 GLN CA C 144 55.056 55.056 57.952 -2.896 25854 5289 1 12 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.365 1.704 25854 5290 1 12 . 1 1 144 144 GLN H H 144 7.898 7.898 7.767 0.131 25854 5291 1 12 . 1 1 145 145 THR HA H 145 4.619 4.619 4.627 -0.008 25854 5292 1 12 . 1 1 145 145 THR CA C 145 59.626 59.626 58.888 0.738 25854 5293 1 12 . 1 1 145 145 THR CB C 145 70.255 70.255 70.850 -0.595 25854 5294 1 12 . 1 1 145 145 THR H H 145 8.695 8.695 7.758 0.937 25854 5295 1 12 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.538 -0.198 25854 5296 1 12 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.254 0.561 25854 5297 1 12 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.551 -0.002 25854 5298 1 12 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.083 -2.366 25854 5299 1 12 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.573 0.453 25854 5300 1 12 . 1 1 147 147 ASP H H 147 8.506 8.506 8.522 -0.016 25854 5301 1 12 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.148 0.022 25854 5302 1 12 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.432 0.131 25854 5303 1 12 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.981 -1.710 25854 5304 1 12 . 1 1 148 148 GLU H H 148 9.159 9.159 8.401 0.758 25854 5305 1 12 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.807 0.129 25854 5306 1 12 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.681 0.036 25854 5307 1 12 . 1 1 149 149 ASN CB C 149 39.431 39.431 38.699 0.732 25854 5308 1 12 . 1 1 149 149 ASN H H 149 8.364 8.364 7.736 0.628 25854 5309 1 12 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.844 -0.073 25854 5310 1 12 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.715 -0.215 25854 5311 1 12 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.200 0.650 25854 5312 1 12 . 1 1 150 150 GLU H H 150 8.542 8.542 8.512 0.030 25854 5313 1 12 . 1 1 151 151 GLN HA H 151 5.021 5.021 4.714 0.307 25854 5314 1 12 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.912 -0.069 25854 5315 1 12 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.794 -1.725 25854 5316 1 12 . 1 1 151 151 GLN H H 151 8.441 8.441 7.767 0.674 25854 5317 1 12 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.881 -0.299 25854 5318 1 12 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.112 0.451 25854 5319 1 12 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.455 -1.338 25854 5320 1 12 . 1 1 152 152 VAL H H 152 8.999 8.999 9.199 -0.200 25854 5321 1 12 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.544 0.084 25854 5322 1 12 . 1 1 153 153 ILE CA C 153 61.220 61.220 60.162 1.058 25854 5323 1 12 . 1 1 153 153 ILE CB C 153 40.494 40.494 41.080 -0.586 25854 5324 1 12 . 1 1 153 153 ILE H H 153 8.972 8.972 8.136 0.836 25854 5325 1 12 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.324 -0.090 25854 5326 1 12 . 1 1 154 154 VAL CA C 154 61.752 61.752 61.379 0.373 25854 5327 1 12 . 1 1 154 154 VAL CB C 154 33.585 33.585 32.832 0.753 25854 5328 1 12 . 1 1 154 154 VAL H H 154 8.557 8.557 8.811 -0.254 25854 5329 1 12 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.520 0.634 25854 5330 1 12 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.804 0.039 25854 5331 1 12 . 1 1 155 155 LYS CB C 155 34.648 34.648 32.945 1.703 25854 5332 1 12 . 1 1 155 155 LYS H H 155 8.951 8.951 8.870 0.081 25854 5333 1 12 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.157 -0.122 25854 5334 1 12 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.269 -0.112 25854 5335 1 12 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.262 2.295 25854 5336 1 12 . 1 1 156 156 ILE H H 156 9.538 9.538 8.997 0.541 25854 5337 1 12 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.433 0.668 25854 5338 1 12 . 1 1 157 157 ILE CA C 157 60.689 60.689 60.305 0.384 25854 5339 1 12 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.491 1.003 25854 5340 1 12 . 1 1 157 157 ILE H H 157 9.468 9.468 8.348 1.120 25854 5341 1 12 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.134 0.675 25854 5342 1 12 . 1 1 158 158 GLY H H 158 8.236 8.236 8.248 -0.012 25854 5343 1 12 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.477 0.068 25854 5344 1 12 . 1 1 159 159 HIS CA C 159 55.375 55.375 52.721 2.655 25854 5345 1 12 . 1 1 159 159 HIS CB C 159 31.460 31.460 32.288 -0.828 25854 5346 1 12 . 1 1 159 159 HIS H H 159 7.986 7.986 7.821 0.165 25854 5347 1 12 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.716 -0.530 25854 5348 1 12 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.354 1.929 25854 5349 1 12 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.065 1.303 25854 5350 1 12 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.058 -0.618 25854 5351 1 12 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.166 1.117 25854 5352 1 12 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.818 1.019 25854 5353 1 12 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.101 -0.049 25854 5354 1 12 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.198 0.645 25854 5355 1 12 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.136 0.569 25854 5356 1 12 . 1 1 162 162 ALA H H 162 7.458 7.458 8.267 -0.809 25854 5357 1 12 . 1 1 163 163 SER HA H 163 3.832 3.832 3.975 -0.143 25854 5358 1 12 . 1 1 163 163 SER CA C 163 60.050 60.050 62.667 -2.617 25854 5359 1 12 . 1 1 163 163 SER CB C 163 63.346 63.346 63.086 0.260 25854 5360 1 12 . 1 1 163 163 SER H H 163 8.403 8.403 8.634 -0.231 25854 5361 1 12 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.309 -0.699 25854 5362 1 12 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.722 -0.159 25854 5363 1 12 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.742 -22.148 25854 5364 1 12 . 1 1 165 165 MET HA H 165 4.048 4.048 4.227 -0.179 25854 5365 1 12 . 1 1 165 165 MET CA C 165 58.563 58.563 57.448 1.115 25854 5366 1 12 . 1 1 165 165 MET CB C 165 31.991 31.991 31.666 0.324 25854 5367 1 12 . 1 1 166 166 ALA HA H 166 3.918 3.918 4.012 -0.094 25854 5368 1 12 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.262 -0.186 25854 5369 1 12 . 1 1 166 166 ALA H H 166 8.208 8.208 8.141 0.067 25854 5370 1 12 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.917 -0.289 25854 5371 1 12 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.750 0.407 25854 5372 1 12 . 1 1 167 167 GLN H H 167 8.393 8.393 8.485 -0.092 25854 5373 1 12 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.045 -0.155 25854 5374 1 12 . 1 1 168 168 ARG CA C 168 53.036 53.036 59.015 -5.979 25854 5375 1 12 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.853 0.012 25854 5376 1 12 . 1 1 168 168 ARG H H 168 8.220 8.220 8.263 -0.043 25854 5377 1 12 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.166 -0.033 25854 5378 1 12 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.597 -0.035 25854 5379 1 12 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.154 -0.163 25854 5380 1 12 . 1 1 169 169 LYS H H 169 8.042 8.042 7.379 0.663 25854 5381 1 12 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.782 -0.252 25854 5382 1 12 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.390 1.082 25854 5383 1 12 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.864 -1.090 25854 5384 1 12 . 1 1 170 170 ILE H H 170 8.190 8.190 8.428 -0.238 25854 5385 1 12 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.051 -0.184 25854 5386 1 12 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.075 1.976 25854 5387 1 12 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.418 -0.083 25854 5388 1 12 . 1 1 171 171 ARG H H 171 7.984 7.984 7.814 0.170 25854 5389 1 12 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.520 -0.091 25854 5390 1 12 . 1 1 172 172 ASP CA C 172 57.500 57.500 56.865 0.635 25854 5391 1 12 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.077 -0.583 25854 5392 1 12 . 1 1 172 172 ASP H H 172 7.993 7.993 7.576 0.417 25854 5393 1 12 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.873 -0.223 25854 5394 1 12 . 1 1 173 173 ILE CA C 173 65.472 65.472 64.196 1.276 25854 5395 1 12 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.670 0.698 25854 5396 1 12 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.948 -0.053 25854 5397 1 12 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.416 0.084 25854 5398 1 12 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.526 0.500 25854 5399 1 12 . 1 1 174 174 LEU H H 174 8.270 8.270 7.611 0.659 25854 5400 1 12 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.848 0.296 25854 5401 1 12 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.611 -1.555 25854 5402 1 12 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.018 0.687 25854 5403 1 12 . 1 1 175 175 ALA H H 175 7.960 7.960 7.961 -0.001 25854 5404 1 12 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.235 -0.142 25854 5405 1 12 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.731 -0.677 25854 5406 1 12 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.314 0.756 25854 5407 1 12 . 1 1 176 176 GLN H H 176 7.696 7.696 7.608 0.088 25854 5408 1 12 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.594 0.231 25854 5409 1 12 . 1 1 177 177 VAL CA C 177 64.051 64.051 66.337 -2.286 25854 5410 1 12 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.452 0.616 25854 5411 1 12 . 1 1 177 177 VAL H H 177 7.850 7.850 7.688 0.162 25854 5412 1 12 . 1 1 179 179 GLN H H 179 7.862 7.862 8.083 -0.221 25854 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 25854 2 1 1 "Average Difference" HA 152 0.383 -0.022 0.383 25854 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25854 4 1 1 "Average Difference" CA 128 1.210 -0.038 1.214 25854 5 1 1 "Average Difference" CB 122 2.365 -0.147 2.370 25854 6 1 1 "Average Difference" HN 69 0.591 -0.179 0.567 25854 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25854 8 1 2 "Average Difference" HA 152 0.362 0.014 0.363 25854 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25854 10 1 2 "Average Difference" CA 128 1.143 -0.092 1.144 25854 11 1 2 "Average Difference" CB 122 2.302 -0.244 2.298 25854 12 1 2 "Average Difference" HN 69 0.520 -0.185 0.489 25854 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25854 14 1 3 "Average Difference" HA 152 0.403 -0.002 0.404 25854 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25854 16 1 3 "Average Difference" CA 128 1.200 -0.050 1.204 25854 17 1 3 "Average Difference" CB 122 2.300 -0.138 2.305 25854 18 1 3 "Average Difference" HN 69 0.538 -0.156 0.518 25854 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25854 20 1 4 "Average Difference" HA 152 0.346 0.004 0.347 25854 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25854 22 1 4 "Average Difference" CA 128 1.165 -0.025 1.169 25854 23 1 4 "Average Difference" CB 122 2.284 -0.194 2.285 25854 24 1 4 "Average Difference" HN 69 0.475 -0.157 0.452 25854 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25854 26 1 5 "Average Difference" HA 152 0.369 0.034 0.368 25854 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25854 28 1 5 "Average Difference" CA 128 1.227 -0.145 1.223 25854 29 1 5 "Average Difference" CB 122 2.301 -0.090 2.309 25854 30 1 5 "Average Difference" HN 69 0.502 -0.125 0.490 25854 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25854 32 1 6 "Average Difference" HA 152 0.342 0.012 0.343 25854 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25854 34 1 6 "Average Difference" CA 128 1.175 -0.007 1.180 25854 35 1 6 "Average Difference" CB 122 2.320 -0.196 2.322 25854 36 1 6 "Average Difference" HN 69 0.464 -0.132 0.449 25854 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25854 38 1 7 "Average Difference" HA 152 0.319 -0.003 0.320 25854 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25854 40 1 7 "Average Difference" CA 128 1.147 -0.040 1.150 25854 41 1 7 "Average Difference" CB 122 2.219 -0.081 2.227 25854 42 1 7 "Average Difference" HN 69 0.578 -0.218 0.539 25854 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25854 44 1 8 "Average Difference" HA 152 0.369 0.051 0.367 25854 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25854 46 1 8 "Average Difference" CA 128 1.245 -0.100 1.246 25854 47 1 8 "Average Difference" CB 122 2.316 -0.103 2.323 25854 48 1 8 "Average Difference" HN 69 0.488 -0.194 0.451 25854 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25854 50 1 9 "Average Difference" HA 152 0.366 -0.017 0.367 25854 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25854 52 1 9 "Average Difference" CA 128 1.203 -0.047 1.207 25854 53 1 9 "Average Difference" CB 122 2.329 -0.083 2.337 25854 54 1 9 "Average Difference" HN 69 0.607 -0.214 0.572 25854 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25854 56 1 10 "Average Difference" HA 152 0.363 0.005 0.364 25854 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25854 58 1 10 "Average Difference" CA 128 1.164 -0.018 1.168 25854 59 1 10 "Average Difference" CB 122 2.362 -0.125 2.369 25854 60 1 10 "Average Difference" HN 69 0.540 -0.159 0.520 25854 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25854 62 1 11 "Average Difference" HA 152 0.356 0.015 0.357 25854 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25854 64 1 11 "Average Difference" CA 128 1.177 -0.038 1.181 25854 65 1 11 "Average Difference" CB 122 2.350 -0.143 2.355 25854 66 1 11 "Average Difference" HN 69 0.520 -0.153 0.500 25854 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25854 68 1 12 "Average Difference" HA 152 0.357 -0.014 0.358 25854 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25854 70 1 12 "Average Difference" CA 128 1.248 -0.039 1.252 25854 71 1 12 "Average Difference" CB 122 2.338 -0.042 2.348 25854 72 1 12 "Average Difference" HN 69 0.470 -0.169 0.442 25854 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 25854 _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 8.022 0.130 25854 2 1 . 1 1 23 23 GLU HA H 23 4.576 4.576 4.452 0.124 25854 3 1 . 1 1 23 23 GLU CA C 23 55.105 55.105 55.737 -0.632 25854 4 1 . 1 1 23 23 GLU CB C 23 32.431 32.431 30.941 1.490 25854 5 1 . 1 1 23 23 GLU H H 23 7.926 7.926 8.594 -0.668 25854 6 1 . 1 1 24 24 THR HA H 24 5.298 5.298 5.389 -0.091 25854 7 1 . 1 1 24 24 THR CA C 24 62.286 62.286 61.584 0.702 25854 8 1 . 1 1 24 24 THR CB C 24 70.759 70.759 69.718 1.042 25854 9 1 . 1 1 25 25 VAL HA H 25 4.435 4.435 4.657 -0.222 25854 10 1 . 1 1 25 25 VAL CA C 25 60.621 60.621 60.201 0.420 25854 11 1 . 1 1 25 25 VAL CB C 25 35.023 35.023 35.096 -0.073 25854 12 1 . 1 1 26 26 HIS HA H 26 5.539 5.539 5.522 0.017 25854 13 1 . 1 1 26 26 HIS CA C 26 52.142 52.142 53.984 -1.842 25854 14 1 . 1 1 27 27 VAL HA H 27 4.717 4.717 4.249 0.468 25854 15 1 . 1 1 27 27 VAL CA C 27 60.635 60.635 61.620 -0.985 25854 16 1 . 1 1 27 27 VAL CB C 27 35.238 35.238 33.282 1.956 25854 17 1 . 1 1 27 27 VAL H H 27 9.339 9.339 8.908 0.431 25854 18 1 . 1 1 28 28 PHE HA H 28 4.911 4.911 4.597 0.314 25854 19 1 . 1 1 28 28 PHE CA C 28 57.725 57.725 57.068 0.657 25854 20 1 . 1 1 28 28 PHE CB C 28 38.909 38.909 39.595 -0.686 25854 21 1 . 1 1 29 29 ILE HA H 29 4.886 4.886 4.715 0.171 25854 22 1 . 1 1 29 29 ILE CA C 29 57.114 57.114 56.908 0.206 25854 23 1 . 1 1 29 29 ILE CB C 29 38.915 38.915 40.148 -1.233 25854 24 1 . 1 1 30 30 PRO HA H 30 4.508 4.508 4.294 0.214 25854 25 1 . 1 1 30 30 PRO CA C 30 62.909 62.909 62.833 0.076 25854 26 1 . 1 1 30 30 PRO CB C 30 31.841 31.841 31.739 0.102 25854 27 1 . 1 1 31 31 ALA HA H 31 3.593 3.593 3.915 -0.322 25854 28 1 . 1 1 31 31 ALA CA C 31 55.496 55.496 54.778 0.718 25854 29 1 . 1 1 31 31 ALA CB C 31 18.071 18.071 18.717 -0.646 25854 30 1 . 1 1 32 32 GLN HA H 32 4.183 4.183 4.143 0.040 25854 31 1 . 1 1 32 32 GLN CA C 32 57.341 57.341 57.840 -0.499 25854 32 1 . 1 1 32 32 GLN CB C 32 27.867 27.867 28.466 -0.599 25854 33 1 . 1 1 33 33 ALA HA H 33 3.958 3.958 4.524 -0.566 25854 34 1 . 1 1 33 33 ALA CA C 33 51.416 51.416 52.920 -1.504 25854 35 1 . 1 1 33 33 ALA CB C 33 19.084 19.084 20.393 -1.309 25854 36 1 . 1 1 34 34 VAL HA H 34 2.886 2.886 3.586 -0.700 25854 37 1 . 1 1 34 34 VAL CA C 34 67.342 67.342 65.485 1.857 25854 38 1 . 1 1 34 34 VAL CB C 34 31.522 31.522 31.682 -0.160 25854 39 1 . 1 1 35 35 GLY CA C 35 46.899 46.899 47.278 -0.379 25854 40 1 . 1 1 36 36 ALA HA H 36 2.993 2.993 4.348 -1.355 25854 41 1 . 1 1 36 36 ALA CA C 36 53.238 53.238 53.855 -0.617 25854 42 1 . 1 1 36 36 ALA CB C 36 18.247 18.247 18.413 -0.166 25854 43 1 . 1 1 37 37 ILE HA H 37 3.451 3.451 3.785 -0.334 25854 44 1 . 1 1 37 37 ILE CA C 37 60.517 60.517 62.499 -1.982 25854 45 1 . 1 1 37 37 ILE CB C 37 35.310 35.310 36.925 -1.615 25854 46 1 . 1 1 38 38 ILE HA H 38 3.889 3.889 3.788 0.101 25854 47 1 . 1 1 38 38 ILE CA C 38 64.581 64.581 63.910 0.671 25854 48 1 . 1 1 38 38 ILE CB C 38 38.840 38.840 38.540 0.300 25854 49 1 . 1 1 39 39 GLY CA C 39 47.152 47.152 44.399 2.753 25854 50 1 . 1 1 40 40 LYS HA H 40 4.580 4.580 3.918 0.662 25854 51 1 . 1 1 40 40 LYS CA C 40 58.370 58.370 57.627 0.743 25854 52 1 . 1 1 41 41 LYS CB C 41 32.800 32.800 32.054 0.746 25854 53 1 . 1 1 44 44 HIS HA H 44 4.342 4.342 4.429 -0.087 25854 54 1 . 1 1 44 44 HIS CB C 44 27.233 27.233 29.799 -2.566 25854 55 1 . 1 1 45 45 ILE HA H 45 3.888 3.888 3.804 0.084 25854 56 1 . 1 1 45 45 ILE CA C 45 64.638 64.638 64.316 0.322 25854 57 1 . 1 1 45 45 ILE CB C 45 37.250 37.250 37.822 -0.572 25854 58 1 . 1 1 46 46 LYS HA H 46 4.136 4.136 4.129 0.007 25854 59 1 . 1 1 46 46 LYS CA C 46 59.603 59.603 58.254 1.349 25854 60 1 . 1 1 46 46 LYS CB C 46 32.470 32.470 31.931 0.539 25854 61 1 . 1 1 47 47 GLN HA H 47 4.034 4.034 4.066 -0.033 25854 62 1 . 1 1 48 48 LEU HA H 48 4.042 4.042 3.730 0.312 25854 63 1 . 1 1 48 48 LEU CA C 48 58.085 58.085 57.820 0.266 25854 64 1 . 1 1 48 48 LEU CB C 48 42.371 42.371 41.658 0.713 25854 65 1 . 1 1 49 49 SER HA H 49 4.183 4.183 4.121 0.062 25854 66 1 . 1 1 49 49 SER CA C 49 61.932 61.932 61.390 0.542 25854 67 1 . 1 1 50 50 ARG HA H 50 4.159 4.159 4.120 0.039 25854 68 1 . 1 1 50 50 ARG CA C 50 58.431 58.431 58.708 -0.277 25854 69 1 . 1 1 50 50 ARG CB C 50 30.152 30.152 30.256 -0.103 25854 70 1 . 1 1 51 51 PHE HA H 51 4.322 4.322 4.432 -0.110 25854 71 1 . 1 1 51 51 PHE CA C 51 59.819 59.819 59.176 0.643 25854 72 1 . 1 1 51 51 PHE CB C 51 39.525 39.525 38.396 1.129 25854 73 1 . 1 1 52 52 ALA HA H 52 3.763 3.763 4.121 -0.358 25854 74 1 . 1 1 52 52 ALA CA C 52 52.378 52.378 52.050 0.328 25854 75 1 . 1 1 52 52 ALA CB C 52 19.378 19.378 19.053 0.325 25854 76 1 . 1 1 52 52 ALA H H 52 8.465 8.465 7.577 0.888 25854 77 1 . 1 1 53 53 SER CB C 53 61.826 61.826 61.221 0.605 25854 78 1 . 1 1 54 54 ALA HA H 54 4.932 4.932 4.584 0.348 25854 79 1 . 1 1 54 54 ALA CA C 54 49.133 49.133 50.771 -1.638 25854 80 1 . 1 1 54 54 ALA CB C 54 23.398 23.398 21.947 1.451 25854 81 1 . 1 1 55 55 SER HA H 55 4.766 4.766 4.694 0.072 25854 82 1 . 1 1 55 55 SER CB C 55 63.541 63.541 62.991 0.550 25854 83 1 . 1 1 56 56 ILE HA H 56 4.992 4.992 4.419 0.573 25854 84 1 . 1 1 56 56 ILE CA C 56 60.191 60.191 60.528 -0.336 25854 85 1 . 1 1 56 56 ILE CB C 56 40.511 40.511 38.930 1.581 25854 86 1 . 1 1 57 57 LYS HA H 57 4.754 4.754 4.709 0.045 25854 87 1 . 1 1 57 57 LYS CA C 57 54.655 54.655 54.563 0.092 25854 88 1 . 1 1 57 57 LYS CB C 57 36.326 36.326 36.770 -0.444 25854 89 1 . 1 1 57 57 LYS H H 57 8.732 8.732 8.564 0.168 25854 90 1 . 1 1 58 58 ILE HA H 58 4.711 4.711 4.139 0.572 25854 91 1 . 1 1 58 58 ILE CA C 58 60.597 60.597 59.489 1.108 25854 92 1 . 1 1 58 58 ILE CB C 58 37.464 37.464 37.257 0.207 25854 93 1 . 1 1 59 59 ALA HA H 59 4.508 4.508 4.613 -0.105 25854 94 1 . 1 1 59 59 ALA CA C 59 51.688 51.688 49.744 1.944 25854 95 1 . 1 1 59 59 ALA CB C 59 18.359 18.359 18.679 -0.320 25854 96 1 . 1 1 62 62 GLU HA H 62 4.039 4.039 4.169 -0.130 25854 97 1 . 1 1 62 62 GLU CA C 62 58.958 58.958 58.208 0.750 25854 98 1 . 1 1 62 62 GLU CB C 62 30.430 30.430 29.868 0.562 25854 99 1 . 1 1 63 63 THR HA H 63 4.786 4.786 4.747 0.039 25854 100 1 . 1 1 63 63 THR CA C 63 58.498 58.498 58.738 -0.240 25854 101 1 . 1 1 63 63 THR CB C 63 69.943 69.943 70.145 -0.201 25854 102 1 . 1 1 64 64 PRO HA H 64 4.289 4.289 4.382 -0.093 25854 103 1 . 1 1 64 64 PRO CA C 64 64.733 64.733 63.913 0.820 25854 104 1 . 1 1 64 64 PRO CB C 64 31.673 31.673 31.844 -0.171 25854 105 1 . 1 1 65 65 ASP HA H 65 4.640 4.640 4.646 -0.006 25854 106 1 . 1 1 65 65 ASP CA C 65 52.859 52.859 53.699 -0.840 25854 107 1 . 1 1 65 65 ASP CB C 65 40.460 40.460 40.618 -0.158 25854 108 1 . 1 1 65 65 ASP H H 65 7.985 7.985 8.101 -0.116 25854 109 1 . 1 1 66 66 SER CB C 66 63.942 63.942 63.825 0.117 25854 110 1 . 1 1 66 66 SER H H 66 7.515 7.515 7.595 -0.080 25854 111 1 . 1 1 67 67 LYS HA H 67 4.343 4.343 4.271 0.072 25854 112 1 . 1 1 67 67 LYS CA C 67 57.242 57.242 56.763 0.479 25854 113 1 . 1 1 67 67 LYS CB C 67 32.803 32.803 32.506 0.297 25854 114 1 . 1 1 68 68 VAL HA H 68 5.193 5.193 4.212 0.981 25854 115 1 . 1 1 68 68 VAL CA C 68 58.972 58.972 59.953 -0.982 25854 116 1 . 1 1 68 68 VAL CB C 68 36.216 36.216 34.294 1.922 25854 117 1 . 1 1 69 69 ARG HA H 69 4.692 4.692 4.577 0.115 25854 118 1 . 1 1 69 69 ARG CA C 69 52.273 52.273 54.456 -2.183 25854 119 1 . 1 1 69 69 ARG CB C 69 32.761 32.761 33.881 -1.120 25854 120 1 . 1 1 70 70 MET HA H 70 3.798 3.798 5.354 -1.556 25854 121 1 . 1 1 70 70 MET CA C 70 55.444 55.444 54.761 0.683 25854 122 1 . 1 1 70 70 MET CB C 70 36.034 36.034 34.856 1.178 25854 123 1 . 1 1 71 71 VAL HA H 71 4.312 4.312 4.371 -0.059 25854 124 1 . 1 1 71 71 VAL CA C 71 60.897 60.897 61.160 -0.263 25854 125 1 . 1 1 72 72 VAL HA H 72 4.662 4.662 4.219 0.443 25854 126 1 . 1 1 72 72 VAL CA C 72 61.766 61.766 61.265 0.502 25854 127 1 . 1 1 72 72 VAL CB C 72 31.464 31.464 32.009 -0.545 25854 128 1 . 1 1 73 73 ILE HA H 73 4.933 4.933 5.144 -0.211 25854 129 1 . 1 1 73 73 ILE CA C 73 60.790 60.790 58.812 1.978 25854 130 1 . 1 1 73 73 ILE CB C 73 40.101 40.101 40.379 -0.278 25854 131 1 . 1 1 73 73 ILE H H 73 8.981 8.981 8.487 0.494 25854 132 1 . 1 1 74 74 THR HA H 74 5.630 5.630 5.315 0.315 25854 133 1 . 1 1 74 74 THR CA C 74 60.813 60.813 61.232 -0.419 25854 134 1 . 1 1 74 74 THR CB C 74 70.966 70.966 69.894 1.072 25854 135 1 . 1 1 74 74 THR H H 74 9.227 9.227 8.757 0.470 25854 136 1 . 1 1 75 75 GLY CA C 75 45.032 45.032 43.939 1.093 25854 137 1 . 1 1 76 76 PRO HA H 76 5.169 5.169 4.950 0.219 25854 138 1 . 1 1 76 76 PRO CA C 76 62.448 62.448 61.355 1.093 25854 139 1 . 1 1 76 76 PRO CB C 76 30.567 30.567 31.007 -0.440 25854 140 1 . 1 1 77 77 PRO HA H 77 3.960 3.960 4.169 -0.209 25854 141 1 . 1 1 77 77 PRO CA C 77 67.086 67.086 66.009 1.077 25854 142 1 . 1 1 78 78 GLU HA H 78 4.135 4.135 4.126 0.009 25854 143 1 . 1 1 78 78 GLU CA C 78 59.899 59.899 59.277 0.622 25854 144 1 . 1 1 78 78 GLU CB C 78 29.030 29.030 29.019 0.011 25854 145 1 . 1 1 78 78 GLU H H 78 9.555 9.555 8.743 0.812 25854 146 1 . 1 1 79 79 ALA HA H 79 4.369 4.369 4.144 0.225 25854 147 1 . 1 1 79 79 ALA CA C 79 54.273 54.273 54.741 -0.468 25854 148 1 . 1 1 79 79 ALA CB C 79 20.129 20.129 18.319 1.810 25854 149 1 . 1 1 79 79 ALA H H 79 7.018 7.018 7.880 -0.862 25854 150 1 . 1 1 80 80 GLN HA H 80 3.782 3.782 4.040 -0.258 25854 151 1 . 1 1 80 80 GLN CA C 80 58.141 58.141 58.752 -0.611 25854 152 1 . 1 1 81 81 PHE HA H 81 4.104 4.104 4.259 -0.155 25854 153 1 . 1 1 81 81 PHE CA C 81 61.409 61.409 61.724 -0.315 25854 154 1 . 1 1 81 81 PHE CB C 81 39.530 39.530 39.019 0.511 25854 155 1 . 1 1 81 81 PHE H H 81 8.005 8.005 8.001 0.004 25854 156 1 . 1 1 82 82 LYS HA H 82 3.997 3.997 3.955 0.042 25854 157 1 . 1 1 82 82 LYS CA C 82 60.011 60.011 59.164 0.847 25854 158 1 . 1 1 83 83 ALA HA H 83 3.937 3.937 4.102 -0.165 25854 159 1 . 1 1 83 83 ALA CA C 83 55.239 55.239 55.027 0.212 25854 160 1 . 1 1 83 83 ALA CB C 83 19.027 19.027 18.237 0.790 25854 161 1 . 1 1 85 85 GLY CA C 85 47.426 47.426 46.599 0.827 25854 162 1 . 1 1 86 86 ARG HA H 86 4.155 4.155 4.209 -0.054 25854 163 1 . 1 1 86 86 ARG CA C 86 57.053 57.053 57.219 -0.166 25854 164 1 . 1 1 86 86 ARG CB C 86 30.173 30.173 29.717 0.456 25854 165 1 . 1 1 87 87 ILE HA H 87 3.484 3.484 3.822 -0.338 25854 166 1 . 1 1 87 87 ILE CA C 87 65.702 65.702 63.591 2.111 25854 167 1 . 1 1 87 87 ILE CB C 87 37.382 37.382 37.513 -0.131 25854 168 1 . 1 1 87 87 ILE H H 87 7.681 7.681 7.573 0.108 25854 169 1 . 1 1 88 88 TYR HA H 88 3.798 3.798 4.222 -0.424 25854 170 1 . 1 1 88 88 TYR CA C 88 62.987 62.987 61.376 1.611 25854 171 1 . 1 1 88 88 TYR CB C 88 38.104 38.104 37.519 0.585 25854 172 1 . 1 1 88 88 TYR H H 88 8.021 8.021 8.549 -0.528 25854 173 1 . 1 1 89 89 GLY H H 89 8.005 8.005 7.835 0.170 25854 174 1 . 1 1 90 90 LYS HA H 90 4.177 4.177 4.169 0.008 25854 175 1 . 1 1 90 90 LYS CA C 90 57.418 57.418 58.332 -0.914 25854 176 1 . 1 1 90 90 LYS CB C 90 31.390 31.390 31.846 -0.456 25854 177 1 . 1 1 91 91 LEU HA H 91 4.138 4.138 4.342 -0.204 25854 178 1 . 1 1 91 91 LEU CA C 91 57.805 57.805 58.004 -0.199 25854 179 1 . 1 1 91 91 LEU CB C 91 40.733 40.733 41.127 -0.394 25854 180 1 . 1 1 91 91 LEU H H 91 7.545 7.545 7.566 -0.021 25854 181 1 . 1 1 92 92 LYS HA H 92 4.316 4.316 4.380 -0.064 25854 182 1 . 1 1 92 92 LYS CA C 92 58.765 58.765 58.307 0.458 25854 183 1 . 1 1 92 92 LYS CB C 92 32.134 32.134 31.972 0.161 25854 184 1 . 1 1 93 93 GLU HA H 93 4.085 4.085 4.138 -0.053 25854 185 1 . 1 1 93 93 GLU CB C 93 29.938 29.938 29.679 0.259 25854 186 1 . 1 1 94 94 GLU HA H 94 4.259 4.259 4.244 0.015 25854 187 1 . 1 1 94 94 GLU CA C 94 55.394 55.394 55.330 0.064 25854 188 1 . 1 1 94 94 GLU CB C 94 29.535 29.535 29.430 0.105 25854 189 1 . 1 1 95 95 ASN HA H 95 4.508 4.508 4.219 0.289 25854 190 1 . 1 1 95 95 ASN CA C 95 55.499 55.499 54.203 1.296 25854 191 1 . 1 1 95 95 ASN CB C 95 37.054 37.054 36.573 0.481 25854 192 1 . 1 1 96 96 PHE HA H 96 4.157 4.157 4.191 -0.034 25854 193 1 . 1 1 96 96 PHE CA C 96 61.630 61.630 60.623 1.007 25854 194 1 . 1 1 96 96 PHE CB C 96 38.473 38.473 39.014 -0.541 25854 195 1 . 1 1 97 97 PHE HA H 97 4.551 4.551 4.714 -0.163 25854 196 1 . 1 1 97 97 PHE CA C 97 57.092 57.092 57.797 -0.705 25854 197 1 . 1 1 97 97 PHE CB C 97 41.072 41.072 39.449 1.623 25854 198 1 . 1 1 98 98 GLY CA C 98 44.746 44.746 44.610 0.136 25854 199 1 . 1 1 98 98 GLY H H 98 8.539 8.539 7.274 1.265 25854 200 1 . 1 1 99 99 PRO HA H 99 4.378 4.378 4.402 -0.024 25854 201 1 . 1 1 99 99 PRO CA C 99 64.940 64.940 64.468 0.473 25854 202 1 . 1 1 99 99 PRO CB C 99 31.991 31.991 32.145 -0.154 25854 203 1 . 1 1 100 100 LYS HA H 100 4.359 4.359 4.403 -0.044 25854 204 1 . 1 1 100 100 LYS CA C 100 55.906 55.906 55.781 0.125 25854 205 1 . 1 1 100 100 LYS CB C 100 31.991 31.991 32.183 -0.193 25854 206 1 . 1 1 100 100 LYS H H 100 8.622 8.622 8.074 0.548 25854 207 1 . 1 1 101 101 GLU HA H 101 4.388 4.388 4.396 -0.008 25854 208 1 . 1 1 101 101 GLU CA C 101 55.906 55.906 55.935 -0.029 25854 209 1 . 1 1 101 101 GLU CB C 101 32.523 32.523 30.761 1.762 25854 210 1 . 1 1 101 101 GLU H H 101 7.569 7.569 7.886 -0.317 25854 211 1 . 1 1 102 102 GLU HA H 102 4.296 4.296 4.290 0.006 25854 212 1 . 1 1 102 102 GLU CA C 102 55.375 55.375 56.555 -1.180 25854 213 1 . 1 1 102 102 GLU CB C 102 30.397 30.397 30.357 0.040 25854 214 1 . 1 1 102 102 GLU H H 102 8.440 8.440 8.678 -0.238 25854 215 1 . 1 1 103 103 VAL HA H 103 2.768 2.768 3.361 -0.593 25854 216 1 . 1 1 103 103 VAL CA C 103 63.346 63.346 63.073 0.273 25854 217 1 . 1 1 103 103 VAL CB C 103 31.991 31.991 32.286 -0.295 25854 218 1 . 1 1 103 103 VAL H H 103 8.552 8.552 8.438 0.114 25854 219 1 . 1 1 104 104 LYS HA H 104 4.614 4.614 4.729 -0.115 25854 220 1 . 1 1 104 104 LYS CA C 104 55.375 55.375 54.512 0.863 25854 221 1 . 1 1 104 104 LYS CB C 104 35.180 35.180 32.133 3.047 25854 222 1 . 1 1 104 104 LYS H H 104 6.924 6.924 7.895 -0.971 25854 223 1 . 1 1 105 105 LEU HA H 105 4.911 4.911 4.655 0.256 25854 224 1 . 1 1 105 105 LEU CA C 105 52.717 52.717 53.073 -0.356 25854 225 1 . 1 1 105 105 LEU CB C 105 45.277 45.277 44.698 0.579 25854 226 1 . 1 1 106 106 GLU HA H 106 4.908 4.908 4.670 0.238 25854 227 1 . 1 1 106 106 GLU CA C 106 57.055 57.055 56.627 0.428 25854 228 1 . 1 1 106 106 GLU CB C 106 32.070 32.070 30.186 1.884 25854 229 1 . 1 1 106 106 GLU H H 106 8.982 8.982 8.916 0.067 25854 230 1 . 1 1 107 107 THR HA H 107 5.524 5.524 4.804 0.720 25854 231 1 . 1 1 107 107 THR CA C 107 61.220 61.220 61.878 -0.658 25854 232 1 . 1 1 107 107 THR CB C 107 71.849 71.849 70.450 1.399 25854 233 1 . 1 1 107 107 THR H H 107 9.357 9.357 8.956 0.401 25854 234 1 . 1 1 108 108 HIS HA H 108 6.061 6.061 5.401 0.660 25854 235 1 . 1 1 108 108 HIS CA C 108 53.249 53.249 54.536 -1.287 25854 236 1 . 1 1 108 108 HIS CB C 108 35.180 35.180 31.728 3.452 25854 237 1 . 1 1 109 109 ILE HA H 109 4.640 4.640 4.722 -0.082 25854 238 1 . 1 1 109 109 ILE CA C 109 59.095 59.095 59.207 -0.112 25854 239 1 . 1 1 109 109 ILE CB C 109 41.026 41.026 40.734 0.292 25854 240 1 . 1 1 109 109 ILE H H 109 8.818 8.818 8.389 0.429 25854 241 1 . 1 1 110 110 ARG HA H 110 5.234 5.234 4.904 0.330 25854 242 1 . 1 1 110 110 ARG CA C 110 54.843 54.843 54.822 0.021 25854 243 1 . 1 1 110 110 ARG CB C 110 31.991 31.991 30.030 1.961 25854 244 1 . 1 1 110 110 ARG H H 110 8.568 8.568 8.700 -0.132 25854 245 1 . 1 1 111 111 VAL HA H 111 4.874 4.874 4.742 0.132 25854 246 1 . 1 1 111 111 VAL CA C 111 56.969 56.969 57.941 -0.972 25854 247 1 . 1 1 111 111 VAL CB C 111 33.585 33.585 34.355 -0.770 25854 248 1 . 1 1 111 111 VAL H H 111 8.935 8.935 8.809 0.126 25854 249 1 . 1 1 112 112 PRO HA H 112 4.499 4.499 4.493 0.006 25854 250 1 . 1 1 112 112 PRO CA C 112 63.346 63.346 63.316 0.030 25854 251 1 . 1 1 112 112 PRO CB C 112 31.991 31.991 31.781 0.210 25854 252 1 . 1 1 113 113 ALA HA H 113 3.910 3.910 3.995 -0.085 25854 253 1 . 1 1 113 113 ALA CA C 113 55.906 55.906 55.335 0.571 25854 254 1 . 1 1 113 113 ALA CB C 113 18.174 18.174 18.687 -0.513 25854 255 1 . 1 1 113 113 ALA H H 113 9.220 9.220 8.525 0.695 25854 256 1 . 1 1 114 114 SER HA H 114 4.210 4.210 4.291 -0.081 25854 257 1 . 1 1 114 114 SER CA C 114 60.157 60.157 60.177 -0.020 25854 258 1 . 1 1 115 115 ALA HA H 115 4.485 4.485 4.095 0.390 25854 259 1 . 1 1 115 115 ALA CA C 115 52.186 52.186 54.189 -2.003 25854 260 1 . 1 1 115 115 ALA CB C 115 20.299 20.299 18.159 2.140 25854 261 1 . 1 1 115 115 ALA H H 115 7.752 7.752 7.558 0.194 25854 262 1 . 1 1 116 116 ALA HA H 116 3.587 3.587 4.068 -0.481 25854 263 1 . 1 1 116 116 ALA CA C 116 55.375 55.375 54.935 0.440 25854 264 1 . 1 1 116 116 ALA CB C 116 18.174 18.174 18.234 -0.060 25854 265 1 . 1 1 116 116 ALA H H 116 7.429 7.429 7.865 -0.436 25854 266 1 . 1 1 117 117 GLY CA C 117 46.340 46.340 46.371 -0.031 25854 267 1 . 1 1 118 118 ARG HA H 118 4.177 4.177 4.244 -0.067 25854 268 1 . 1 1 118 118 ARG CB C 118 30.397 30.397 30.444 -0.047 25854 269 1 . 1 1 119 119 VAL HA H 119 3.652 3.652 3.765 -0.113 25854 270 1 . 1 1 119 119 VAL CA C 119 64.940 64.940 65.015 -0.075 25854 271 1 . 1 1 119 119 VAL CB C 119 31.991 31.991 32.099 -0.108 25854 272 1 . 1 1 120 120 ILE HA H 120 3.827 3.827 3.912 -0.085 25854 273 1 . 1 1 120 120 ILE CB C 120 39.431 39.431 38.123 1.307 25854 274 1 . 1 1 121 121 GLY CA C 121 43.062 43.062 44.720 -1.658 25854 275 1 . 1 1 121 121 GLY H H 121 7.924 7.924 7.645 0.279 25854 276 1 . 1 1 125 125 LYS HA H 125 4.147 4.147 4.296 -0.149 25854 277 1 . 1 1 127 127 VAL HA H 127 3.919 3.919 3.748 0.171 25854 278 1 . 1 1 128 128 ASN HA H 128 4.488 4.488 4.438 0.050 25854 279 1 . 1 1 128 128 ASN CA C 128 55.375 55.375 56.527 -1.152 25854 280 1 . 1 1 128 128 ASN CB C 128 38.368 38.368 38.301 0.067 25854 281 1 . 1 1 128 128 ASN H H 128 8.050 8.050 7.898 0.152 25854 282 1 . 1 1 129 129 GLU H H 129 8.138 8.138 7.763 0.375 25854 283 1 . 1 1 130 130 LEU HA H 130 4.060 4.060 3.908 0.152 25854 284 1 . 1 1 130 130 LEU CB C 130 42.088 42.088 41.804 0.285 25854 285 1 . 1 1 131 131 GLN HA H 131 4.294 4.294 4.099 0.195 25854 286 1 . 1 1 131 131 GLN CA C 131 59.095 59.095 58.801 0.294 25854 287 1 . 1 1 131 131 GLN CB C 131 29.281 29.281 28.595 0.686 25854 288 1 . 1 1 133 133 LEU HA H 133 4.271 4.271 4.311 -0.040 25854 289 1 . 1 1 133 133 LEU CB C 133 43.151 43.151 42.302 0.849 25854 290 1 . 1 1 134 134 THR HA H 134 4.324 4.324 4.211 0.113 25854 291 1 . 1 1 134 134 THR CA C 134 61.752 61.752 63.314 -1.562 25854 292 1 . 1 1 134 134 THR CB C 134 70.047 70.047 70.228 -0.181 25854 293 1 . 1 1 135 135 ALA HA H 135 4.107 4.107 3.951 0.156 25854 294 1 . 1 1 135 135 ALA CA C 135 53.780 53.780 53.021 0.759 25854 295 1 . 1 1 135 135 ALA CB C 135 18.174 18.174 16.789 1.385 25854 296 1 . 1 1 135 135 ALA H H 135 8.013 8.013 7.758 0.255 25854 297 1 . 1 1 136 136 ALA HA H 136 4.539 4.539 4.645 -0.106 25854 298 1 . 1 1 136 136 ALA CA C 136 51.123 51.123 50.448 0.675 25854 299 1 . 1 1 136 136 ALA CB C 136 19.768 19.768 21.710 -1.942 25854 300 1 . 1 1 136 136 ALA H H 136 8.011 8.011 7.307 0.704 25854 301 1 . 1 1 137 137 GLU HA H 137 4.431 4.431 4.576 -0.145 25854 302 1 . 1 1 137 137 GLU CB C 137 36.243 36.243 30.822 5.421 25854 303 1 . 1 1 137 137 GLU H H 137 8.439 8.439 8.472 -0.033 25854 304 1 . 1 1 138 138 VAL HA H 138 4.882 4.882 4.597 0.285 25854 305 1 . 1 1 138 138 VAL CA C 138 61.220 61.220 61.168 0.052 25854 306 1 . 1 1 138 138 VAL CB C 138 33.585 33.585 32.317 1.268 25854 307 1 . 1 1 138 138 VAL H H 138 8.280 8.280 8.512 -0.233 25854 308 1 . 1 1 139 139 VAL HA H 139 4.221 4.221 4.447 -0.227 25854 309 1 . 1 1 139 139 VAL CA C 139 60.689 60.689 60.251 0.438 25854 310 1 . 1 1 139 139 VAL CB C 139 36.243 36.243 34.809 1.434 25854 311 1 . 1 1 139 139 VAL H H 139 9.055 9.055 8.573 0.482 25854 312 1 . 1 1 140 140 VAL HA H 140 4.622 4.622 4.565 0.057 25854 313 1 . 1 1 140 140 VAL CA C 140 58.563 58.563 58.352 0.212 25854 314 1 . 1 1 140 140 VAL CB C 140 31.991 31.991 33.060 -1.069 25854 315 1 . 1 1 141 141 PRO HA H 141 4.229 4.229 4.533 -0.304 25854 316 1 . 1 1 141 141 PRO CA C 141 63.346 63.346 62.731 0.615 25854 317 1 . 1 1 141 141 PRO CB C 141 31.460 31.460 32.511 -1.051 25854 318 1 . 1 1 142 142 ARG HA H 142 4.234 4.234 4.251 -0.017 25854 319 1 . 1 1 142 142 ARG CA C 142 56.437 56.437 57.005 -0.568 25854 320 1 . 1 1 142 142 ARG CB C 142 30.928 30.928 30.107 0.821 25854 321 1 . 1 1 142 142 ARG H H 142 8.499 8.499 8.550 -0.051 25854 322 1 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.606 -0.196 25854 323 1 . 1 1 143 143 ASP CA C 143 54.312 54.312 54.212 0.100 25854 324 1 . 1 1 143 143 ASP CB C 143 39.431 39.431 40.729 -1.298 25854 325 1 . 1 1 143 143 ASP H H 143 8.691 8.691 8.132 0.559 25854 326 1 . 1 1 144 144 GLN HA H 144 4.365 4.365 4.312 0.053 25854 327 1 . 1 1 144 144 GLN CA C 144 55.056 55.056 56.266 -1.210 25854 328 1 . 1 1 144 144 GLN CB C 144 31.069 31.069 29.180 1.889 25854 329 1 . 1 1 144 144 GLN H H 144 7.898 7.898 8.164 -0.266 25854 330 1 . 1 1 145 145 THR HA H 145 4.619 4.619 4.533 0.086 25854 331 1 . 1 1 145 145 THR CA C 145 59.626 59.626 60.286 -0.660 25854 332 1 . 1 1 145 145 THR CB C 145 70.255 70.255 69.222 1.033 25854 333 1 . 1 1 145 145 THR H H 145 8.695 8.695 8.083 0.612 25854 334 1 . 1 1 146 146 PRO HA H 146 4.340 4.340 4.518 -0.178 25854 335 1 . 1 1 146 146 PRO CA C 146 62.815 62.815 62.590 0.225 25854 336 1 . 1 1 147 147 ASP HA H 147 4.549 4.549 4.409 0.140 25854 337 1 . 1 1 147 147 ASP CA C 147 52.717 52.717 55.503 -2.786 25854 338 1 . 1 1 147 147 ASP CB C 147 41.026 41.026 40.346 0.680 25854 339 1 . 1 1 147 147 ASP H H 147 8.506 8.506 8.647 -0.141 25854 340 1 . 1 1 148 148 GLU HA H 148 4.170 4.170 4.083 0.087 25854 341 1 . 1 1 148 148 GLU CA C 148 58.563 58.563 58.624 -0.061 25854 342 1 . 1 1 148 148 GLU CB C 148 28.271 28.271 29.605 -1.334 25854 343 1 . 1 1 148 148 GLU H H 148 9.159 9.159 8.339 0.820 25854 344 1 . 1 1 149 149 ASN HA H 149 4.936 4.936 4.753 0.183 25854 345 1 . 1 1 149 149 ASN CA C 149 52.717 52.717 52.798 -0.081 25854 346 1 . 1 1 149 149 ASN CB C 149 39.431 39.431 39.022 0.409 25854 347 1 . 1 1 149 149 ASN H H 149 8.364 8.364 7.739 0.625 25854 348 1 . 1 1 150 150 GLU HA H 150 3.771 3.771 3.917 -0.146 25854 349 1 . 1 1 150 150 GLU CA C 150 57.500 57.500 57.735 -0.235 25854 350 1 . 1 1 150 150 GLU CB C 150 27.850 27.850 27.401 0.449 25854 351 1 . 1 1 150 150 GLU H H 150 8.542 8.542 7.965 0.577 25854 352 1 . 1 1 151 151 GLN HA H 151 5.021 5.021 5.072 -0.051 25854 353 1 . 1 1 151 151 GLN CA C 151 54.843 54.843 54.841 0.002 25854 354 1 . 1 1 151 151 GLN CB C 151 31.069 31.069 32.920 -1.851 25854 355 1 . 1 1 151 151 GLN H H 151 8.441 8.441 7.661 0.780 25854 356 1 . 1 1 152 152 VAL HA H 152 4.582 4.582 4.826 -0.244 25854 357 1 . 1 1 152 152 VAL CA C 152 58.563 58.563 58.462 0.101 25854 358 1 . 1 1 152 152 VAL CB C 152 34.117 34.117 35.407 -1.290 25854 359 1 . 1 1 152 152 VAL H H 152 8.999 8.999 9.184 -0.185 25854 360 1 . 1 1 153 153 ILE HA H 153 4.628 4.628 4.856 -0.228 25854 361 1 . 1 1 153 153 ILE CA C 153 61.220 61.220 59.833 1.387 25854 362 1 . 1 1 153 153 ILE CB C 153 40.494 40.494 40.393 0.101 25854 363 1 . 1 1 153 153 ILE H H 153 8.972 8.972 8.156 0.816 25854 364 1 . 1 1 154 154 VAL HA H 154 4.234 4.234 4.529 -0.295 25854 365 1 . 1 1 154 154 VAL CA C 154 61.752 61.752 60.071 1.681 25854 366 1 . 1 1 154 154 VAL CB C 154 33.585 33.585 34.415 -0.830 25854 367 1 . 1 1 154 154 VAL H H 154 8.557 8.557 8.603 -0.046 25854 368 1 . 1 1 155 155 LYS HA H 155 5.154 5.154 4.776 0.378 25854 369 1 . 1 1 155 155 LYS CA C 155 54.843 54.843 54.730 0.113 25854 370 1 . 1 1 155 155 LYS CB C 155 34.648 34.648 33.600 1.048 25854 371 1 . 1 1 155 155 LYS H H 155 8.951 8.951 8.521 0.430 25854 372 1 . 1 1 156 156 ILE HA H 156 5.035 5.035 5.212 -0.177 25854 373 1 . 1 1 156 156 ILE CA C 156 60.157 60.157 60.103 0.054 25854 374 1 . 1 1 156 156 ILE CB C 156 41.557 41.557 39.614 1.943 25854 375 1 . 1 1 156 156 ILE H H 156 9.538 9.538 8.883 0.655 25854 376 1 . 1 1 157 157 ILE HA H 157 5.101 5.101 4.650 0.450 25854 377 1 . 1 1 157 157 ILE CA C 157 60.689 60.689 59.710 0.979 25854 378 1 . 1 1 157 157 ILE CB C 157 40.494 40.494 39.952 0.542 25854 379 1 . 1 1 157 157 ILE H H 157 9.468 9.468 8.443 1.025 25854 380 1 . 1 1 158 158 GLY CA C 158 45.809 45.809 45.200 0.609 25854 381 1 . 1 1 158 158 GLY H H 158 8.236 8.236 8.057 0.179 25854 382 1 . 1 1 159 159 HIS HA H 159 5.545 5.545 5.183 0.362 25854 383 1 . 1 1 159 159 HIS CA C 159 55.375 55.375 54.294 1.082 25854 384 1 . 1 1 159 159 HIS CB C 159 31.460 31.460 31.699 -0.239 25854 385 1 . 1 1 159 159 HIS H H 159 7.986 7.986 8.263 -0.277 25854 386 1 . 1 1 160 160 PHE HA H 160 3.186 3.186 3.530 -0.344 25854 387 1 . 1 1 160 160 PHE CA C 160 62.283 62.283 60.554 1.729 25854 388 1 . 1 1 160 160 PHE CB C 160 38.368 38.368 37.474 0.894 25854 389 1 . 1 1 161 161 TYR HA H 161 3.440 3.440 4.015 -0.575 25854 390 1 . 1 1 161 161 TYR CA C 161 62.283 62.283 61.479 0.804 25854 391 1 . 1 1 161 161 TYR CB C 161 37.837 37.837 36.973 0.864 25854 392 1 . 1 1 162 162 ALA HA H 162 4.052 4.052 4.129 -0.077 25854 393 1 . 1 1 162 162 ALA CA C 162 54.843 54.843 54.313 0.530 25854 394 1 . 1 1 162 162 ALA CB C 162 18.705 18.705 18.260 0.446 25854 395 1 . 1 1 162 162 ALA H H 162 7.458 7.458 8.140 -0.682 25854 396 1 . 1 1 163 163 SER HA H 163 3.832 3.832 4.019 -0.187 25854 397 1 . 1 1 163 163 SER CA C 163 60.050 60.050 61.922 -1.872 25854 398 1 . 1 1 163 163 SER CB C 163 63.346 63.346 63.151 0.195 25854 399 1 . 1 1 163 163 SER H H 163 8.403 8.403 8.462 -0.059 25854 400 1 . 1 1 164 164 GLN HA H 164 3.610 3.610 4.141 -0.531 25854 401 1 . 1 1 164 164 GLN CA C 164 58.563 58.563 58.569 -0.007 25854 402 1 . 1 1 164 164 GLN CB C 164 6.594 6.594 28.290 -21.696 25854 403 1 . 1 1 165 165 MET HA H 165 4.048 4.048 4.167 -0.119 25854 404 1 . 1 1 165 165 MET CA C 165 58.563 58.563 58.444 0.119 25854 405 1 . 1 1 165 165 MET CB C 165 31.991 31.991 32.537 -0.546 25854 406 1 . 1 1 166 166 ALA HA H 166 3.918 3.918 3.966 -0.048 25854 407 1 . 1 1 166 166 ALA CB C 166 18.076 18.076 18.233 -0.157 25854 408 1 . 1 1 166 166 ALA H H 166 8.208 8.208 8.225 -0.017 25854 409 1 . 1 1 167 167 GLN HA H 167 3.628 3.628 3.902 -0.274 25854 410 1 . 1 1 167 167 GLN CA C 167 60.157 60.157 59.665 0.492 25854 411 1 . 1 1 167 167 GLN H H 167 8.393 8.393 8.579 -0.186 25854 412 1 . 1 1 168 168 ARG HA H 168 3.890 3.890 4.125 -0.235 25854 413 1 . 1 1 168 168 ARG CA C 168 53.036 53.036 58.762 -5.726 25854 414 1 . 1 1 168 168 ARG CB C 168 29.865 29.865 29.891 -0.026 25854 415 1 . 1 1 168 168 ARG H H 168 8.220 8.220 7.904 0.316 25854 416 1 . 1 1 169 169 LYS HA H 169 4.133 4.133 4.180 -0.047 25854 417 1 . 1 1 169 169 LYS CA C 169 58.563 58.563 58.601 -0.038 25854 418 1 . 1 1 169 169 LYS CB C 169 31.991 31.991 32.043 -0.052 25854 419 1 . 1 1 169 169 LYS H H 169 8.042 8.042 7.493 0.549 25854 420 1 . 1 1 170 170 ILE HA H 170 3.530 3.530 3.773 -0.243 25854 421 1 . 1 1 170 170 ILE CA C 170 65.472 65.472 64.308 1.164 25854 422 1 . 1 1 170 170 ILE CB C 170 36.774 36.774 37.865 -1.091 25854 423 1 . 1 1 170 170 ILE H H 170 8.190 8.190 8.383 -0.193 25854 424 1 . 1 1 171 171 ARG HA H 171 3.867 3.867 4.008 -0.141 25854 425 1 . 1 1 171 171 ARG CA C 171 60.051 60.051 58.534 1.517 25854 426 1 . 1 1 171 171 ARG CB C 171 29.334 29.334 29.305 0.028 25854 427 1 . 1 1 171 171 ARG H H 171 7.984 7.984 8.098 -0.114 25854 428 1 . 1 1 172 172 ASP HA H 172 4.429 4.429 4.500 -0.071 25854 429 1 . 1 1 172 172 ASP CA C 172 57.500 57.500 57.208 0.292 25854 430 1 . 1 1 172 172 ASP CB C 172 40.494 40.494 41.073 -0.579 25854 431 1 . 1 1 172 172 ASP H H 172 7.993 7.993 7.738 0.255 25854 432 1 . 1 1 173 173 ILE HA H 173 3.650 3.650 3.963 -0.313 25854 433 1 . 1 1 173 173 ILE CA C 173 65.472 65.472 63.981 1.491 25854 434 1 . 1 1 173 173 ILE CB C 173 38.368 38.368 37.612 0.756 25854 435 1 . 1 1 174 174 LEU HA H 174 3.895 3.895 3.990 -0.095 25854 436 1 . 1 1 174 174 LEU CA C 174 57.500 57.500 57.722 -0.222 25854 437 1 . 1 1 174 174 LEU CB C 174 41.026 41.026 40.669 0.357 25854 438 1 . 1 1 174 174 LEU H H 174 8.270 8.270 7.757 0.513 25854 439 1 . 1 1 175 175 ALA HA H 175 4.144 4.144 3.958 0.186 25854 440 1 . 1 1 175 175 ALA CA C 175 54.056 54.056 55.101 -1.044 25854 441 1 . 1 1 175 175 ALA CB C 175 18.705 18.705 18.144 0.561 25854 442 1 . 1 1 175 175 ALA H H 175 7.960 7.960 7.748 0.212 25854 443 1 . 1 1 176 176 GLN HA H 176 4.093 4.093 4.074 0.020 25854 444 1 . 1 1 176 176 GLN CA C 176 58.054 58.054 58.613 -0.559 25854 445 1 . 1 1 176 176 GLN CB C 176 29.070 29.070 28.674 0.396 25854 446 1 . 1 1 176 176 GLN H H 176 7.696 7.696 7.582 0.114 25854 447 1 . 1 1 177 177 VAL HA H 177 3.825 3.825 3.702 0.123 25854 448 1 . 1 1 177 177 VAL CA C 177 64.051 64.051 65.864 -1.813 25854 449 1 . 1 1 177 177 VAL CB C 177 32.068 32.068 31.218 0.850 25854 450 1 . 1 1 177 177 VAL H H 177 7.850 7.850 7.969 -0.119 25854 451 1 . 1 1 179 179 GLN H H 179 7.862 7.862 7.963 -0.101 25854 stop_ save_